data_7129 save_study_list _Study_list.Sf_category study_list _Study_list.Sf_framecode study_list _Study_list.Entry_ID 7129 _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID . 'Solution Structure of Crk Sh3 domain' 'Structure analysis' . 7129 1 stop_ loop_ _Study_keyword.Study_ID _Study_keyword.Keyword _Study_keyword.Entry_ID _Study_keyword.Study_list_ID . 'Crk SH3 domain' 7129 1 . NMR 7129 1 stop_ save_ ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7129 _Entry.Title ; Solution Structure and Folding Characteristics of the C-Terminal SH3 Domain of c-Crk-II ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-05-23 _Entry.Accession_date 2006-05-23 _Entry.Last_release_date 2007-02-07 _Entry.Original_release_date 2007-02-07 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details Assignment _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 Kaushik Dutta . . . 7129 2 Vasant Muralidharan . . . 7129 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID . . 'Rockerfeller University and New York Structural Biology Center' . 7129 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7129 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 314 7129 '15N chemical shifts' 80 7129 '1H chemical shifts' 460 7129 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 . . 2007-02-07 2006-05-23 original author . 7129 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2GGR 'BMRB Entry Tracking System' 7129 stop_ save_ ############### # Citations # ############### save_Solution_Structure _Citation.Sf_category citations _Citation.Sf_framecode Solution_Structure _Citation.Entry_ID 7129 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16846230 _Citation.Full_citation . _Citation.Title 'Solution Structure and Folding Characteristics of the C-Terminal SH3 Domain of c-Crk-II' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 45 _Citation.Journal_issue 29 _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 8874 _Citation.Page_last 8884 _Citation.Year 2006 _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 Vasant Muralidharan . . . 7129 1 2 Kaushik Dutta . . . 7129 1 3 Jaehyun Cho . . . 7129 1 4 Miquel Vila-Perello . . . 7129 1 5 Daniel Raleigh . P. . 7129 1 6 David Cowburn . . . 7129 1 7 Tom Muir . W. . 7129 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 7129 _Assembly.ID 1 _Assembly.Name 'SH3 domain' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass 8 _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 'SH3 domain' 1 $SH3_domain . . yes native yes no . . . 7129 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_SH3_domain _Entity.Sf_category entity _Entity.Sf_framecode SH3_domain _Entity.Entry_ID 7129 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'SH3 domain' _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 ; GLPNLQNGPIYARVIQKRVP NAYDKTALALEVGELVKVTK INVSGQWEGECNGKRGHFPF THVRLLDQQNPDEDFS ; _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 76 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2EYX . "C-Terminal Sh3 Domain Of Ct10-Regulated Kinase" . . . . . 88.16 67 100.00 100.00 3.82e-41 . . . . 7129 1 2 no PDB 2EYZ . "Ct10-Regulated Kinase Isoform Ii" . . . . . 98.68 304 98.67 100.00 5.39e-45 . . . . 7129 1 3 no PDB 2GGR . "Solution Structure Of The C-Terminal Sh3 Domain Of C-Crkii" . . . . . 100.00 76 100.00 100.00 1.27e-48 . . . . 7129 1 4 no PDB 2L3P . "Structure Of The Prolyl Cis Isomer Of The Crk Protein" . . . . . 88.16 78 97.01 98.51 4.70e-40 . . . . 7129 1 5 no PDB 2L3Q . "Structure Of The Prolyl Trans Isomer Of The Crk Protein" . . . . . 88.16 78 97.01 98.51 4.70e-40 . . . . 7129 1 6 no PDB 2L3S . "Structure Of The Autoinhibited Crk" . . . . . 88.16 163 97.01 98.51 4.81e-39 . . . . 7129 1 7 no DBJ BAA01505 . "CRK-II [Homo sapiens]" . . . . . 98.68 304 98.67 98.67 1.96e-44 . . . . 7129 1 8 no DBJ BAA07924 . "CRK-II [Rattus sp.]" . . . . . 98.68 304 98.67 100.00 5.39e-45 . . . . 7129 1 9 no DBJ BAC25976 . "unnamed protein product [Mus musculus]" . . . . . 98.68 304 100.00 100.00 1.12e-45 . . . . 7129 1 10 no DBJ BAC36180 . "unnamed protein product [Mus musculus]" . . . . . 98.68 257 100.00 100.00 4.37e-46 . . . . 7129 1 11 no DBJ BAE32976 . "unnamed protein product [Mus musculus]" . . . . . 98.68 304 100.00 100.00 1.12e-45 . . . . 7129 1 12 no GB AAA49001 . "p38c-crk [Gallus gallus]" . . . . . 98.68 305 97.33 98.67 2.48e-44 . . . . 7129 1 13 no GB AAB30755 . "c-Crk [Mus sp.]" . . . . . 98.68 304 100.00 100.00 1.12e-45 . . . . 7129 1 14 no GB AAH01718 . "V-crk sarcoma virus CT10 oncogene homolog (avian) [Homo sapiens]" . . . . . 98.68 304 100.00 100.00 1.14e-45 . . . . 7129 1 15 no GB AAH08506 . "V-crk sarcoma virus CT10 oncogene homolog (avian) [Homo sapiens]" . . . . . 98.68 304 100.00 100.00 1.14e-45 . . . . 7129 1 16 no GB AAH12216 . "V-crk sarcoma virus CT10 oncogene homolog (avian) [Mus musculus]" . . . . . 98.68 304 100.00 100.00 1.33e-45 . . . . 7129 1 17 no PIR I58394 . "c-Crk - mouse" . . . . . 98.68 304 100.00 100.00 1.12e-45 . . . . 7129 1 18 no REF NP_001007847 . "adapter molecule crk [Gallus gallus]" . . . . . 98.68 305 97.33 98.67 2.48e-44 . . . . 7129 1 19 no REF NP_001131108 . "adapter molecule crk [Sus scrofa]" . . . . . 98.68 304 97.33 98.67 8.92e-44 . . . . 7129 1 20 no REF NP_001179263 . "adapter molecule crk [Bos taurus]" . . . . . 98.68 304 100.00 100.00 1.14e-45 . . . . 7129 1 21 no REF NP_058431 . "adapter molecule crk isoform a [Homo sapiens]" . . . . . 98.68 304 100.00 100.00 1.14e-45 . . . . 7129 1 22 no REF NP_062175 . "adapter molecule crk [Rattus norvegicus]" . . . . . 98.68 304 98.67 100.00 5.39e-45 . . . . 7129 1 23 no SP P46108 . "RecName: Full=Adapter molecule crk; AltName: Full=Proto-oncogene c-Crk; AltName: Full=p38 [Homo sapiens]" . . . . . 98.68 304 100.00 100.00 1.14e-45 . . . . 7129 1 24 no SP Q04929 . "RecName: Full=Adapter molecule crk; AltName: Full=Proto-oncogene c-Crk; AltName: Full=p38 [Gallus gallus]" . . . . . 98.68 305 97.33 98.67 2.48e-44 . . . . 7129 1 25 no SP Q63768 . "RecName: Full=Adapter molecule crk; AltName: Full=Proto-oncogene c-Crk; AltName: Full=p38 [Rattus norvegicus]" . . . . . 98.68 304 98.67 100.00 5.39e-45 . . . . 7129 1 26 no SP Q64010 . "RecName: Full=Adapter molecule crk; AltName: Full=Proto-oncogene c-Crk; AltName: Full=p38 [Mus musculus]" . . . . . 98.68 304 100.00 100.00 1.12e-45 . . . . 7129 1 27 no TPG DAA19004 . "TPA: proto-oncogene C-crk-like [Bos taurus]" . . . . . 98.68 304 100.00 100.00 1.14e-45 . . . . 7129 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 -1 GLY . 7129 1 2 230 LEU . 7129 1 3 231 PRO . 7129 1 4 232 ASN . 7129 1 5 233 LEU . 7129 1 6 234 GLN . 7129 1 7 235 ASN . 7129 1 8 236 GLY . 7129 1 9 237 PRO . 7129 1 10 238 ILE . 7129 1 11 239 TYR . 7129 1 12 240 ALA . 7129 1 13 241 ARG . 7129 1 14 242 VAL . 7129 1 15 243 ILE . 7129 1 16 244 GLN . 7129 1 17 245 LYS . 7129 1 18 246 ARG . 7129 1 19 247 VAL . 7129 1 20 248 PRO . 7129 1 21 249 ASN . 7129 1 22 250 ALA . 7129 1 23 251 TYR . 7129 1 24 252 ASP . 7129 1 25 253 LYS . 7129 1 26 254 THR . 7129 1 27 255 ALA . 7129 1 28 256 LEU . 7129 1 29 257 ALA . 7129 1 30 258 LEU . 7129 1 31 259 GLU . 7129 1 32 260 VAL . 7129 1 33 261 GLY . 7129 1 34 262 GLU . 7129 1 35 263 LEU . 7129 1 36 264 VAL . 7129 1 37 265 LYS . 7129 1 38 266 VAL . 7129 1 39 267 THR . 7129 1 40 268 LYS . 7129 1 41 269 ILE . 7129 1 42 270 ASN . 7129 1 43 271 VAL . 7129 1 44 272 SER . 7129 1 45 273 GLY . 7129 1 46 274 GLN . 7129 1 47 275 TRP . 7129 1 48 276 GLU . 7129 1 49 277 GLY . 7129 1 50 278 GLU . 7129 1 51 279 CYS . 7129 1 52 280 ASN . 7129 1 53 281 GLY . 7129 1 54 282 LYS . 7129 1 55 283 ARG . 7129 1 56 284 GLY . 7129 1 57 285 HIS . 7129 1 58 286 PHE . 7129 1 59 287 PRO . 7129 1 60 288 PHE . 7129 1 61 289 THR . 7129 1 62 290 HIS . 7129 1 63 291 VAL . 7129 1 64 292 ARG . 7129 1 65 293 LEU . 7129 1 66 294 LEU . 7129 1 67 295 ASP . 7129 1 68 296 GLN . 7129 1 69 297 GLN . 7129 1 70 298 ASN . 7129 1 71 299 PRO . 7129 1 72 300 ASP . 7129 1 73 301 GLU . 7129 1 74 302 ASP . 7129 1 75 303 PHE . 7129 1 76 304 SER . 7129 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 7129 1 . LEU 2 2 7129 1 . PRO 3 3 7129 1 . ASN 4 4 7129 1 . LEU 5 5 7129 1 . GLN 6 6 7129 1 . ASN 7 7 7129 1 . GLY 8 8 7129 1 . PRO 9 9 7129 1 . ILE 10 10 7129 1 . TYR 11 11 7129 1 . ALA 12 12 7129 1 . ARG 13 13 7129 1 . VAL 14 14 7129 1 . ILE 15 15 7129 1 . GLN 16 16 7129 1 . LYS 17 17 7129 1 . ARG 18 18 7129 1 . VAL 19 19 7129 1 . PRO 20 20 7129 1 . ASN 21 21 7129 1 . ALA 22 22 7129 1 . TYR 23 23 7129 1 . ASP 24 24 7129 1 . LYS 25 25 7129 1 . THR 26 26 7129 1 . ALA 27 27 7129 1 . LEU 28 28 7129 1 . ALA 29 29 7129 1 . LEU 30 30 7129 1 . GLU 31 31 7129 1 . VAL 32 32 7129 1 . GLY 33 33 7129 1 . GLU 34 34 7129 1 . LEU 35 35 7129 1 . VAL 36 36 7129 1 . LYS 37 37 7129 1 . VAL 38 38 7129 1 . THR 39 39 7129 1 . LYS 40 40 7129 1 . ILE 41 41 7129 1 . ASN 42 42 7129 1 . VAL 43 43 7129 1 . SER 44 44 7129 1 . GLY 45 45 7129 1 . GLN 46 46 7129 1 . TRP 47 47 7129 1 . GLU 48 48 7129 1 . GLY 49 49 7129 1 . GLU 50 50 7129 1 . CYS 51 51 7129 1 . ASN 52 52 7129 1 . GLY 53 53 7129 1 . LYS 54 54 7129 1 . ARG 55 55 7129 1 . GLY 56 56 7129 1 . HIS 57 57 7129 1 . PHE 58 58 7129 1 . PRO 59 59 7129 1 . PHE 60 60 7129 1 . THR 61 61 7129 1 . HIS 62 62 7129 1 . VAL 63 63 7129 1 . ARG 64 64 7129 1 . LEU 65 65 7129 1 . LEU 66 66 7129 1 . ASP 67 67 7129 1 . GLN 68 68 7129 1 . GLN 69 69 7129 1 . ASN 70 70 7129 1 . PRO 71 71 7129 1 . ASP 72 72 7129 1 . GLU 73 73 7129 1 . ASP 74 74 7129 1 . PHE 75 75 7129 1 . SER 76 76 7129 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 7129 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $SH3_domain . 562 . no . 'E. Coli' . . Eubacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 7129 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 7129 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $SH3_domain . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7129 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_Crk_SH3 _Sample.Sf_category sample _Sample.Sf_framecode Crk_SH3 _Sample.Entry_ID 7129 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'SH3 domain' '[U-100% 13C; U-100% 15N]' . . 1 $SH3_domain . protein 0.5 . . mM . . . . 7129 1 2 Tris . . . . . . . 10 . . mM . . . . 7129 1 3 NaCl . . . . . . . 50 . . mM . . . . 7129 1 4 EDTA . . . . . . . 1 . . mM . . . . 7129 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 7129 _Sample_condition_list.ID 1 _Sample_condition_list.Details '10mM Tris, 50mM NaCl, 1mM EDTA, pH 7.2' 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 1 mM 7129 1 pH 7.2 0.1 pH 7129 1 temperature 298 0.5 K 7129 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 7129 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details 'NMR processing and Viewing' save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 7129 _Software.ID 2 _Software.Name NMRView _Software.Version 5.0.4 _Software.Details 'Spectra analysis and assignment' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'One Moon Scientific' . . 7129 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600 _NMR_spectrometer.Entry_ID 7129 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'with Cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_700 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 700 _NMR_spectrometer.Entry_ID 7129 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'with Cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_800 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 800 _NMR_spectrometer.Entry_ID 7129 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details 'with Cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 7129 _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 '1H15N HSQC' no . . . . . . . . . . 1 $Crk_SH3 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7129 1 2 HNCO no . . . . . . . . . . 1 $Crk_SH3 . . . 1 $conditions_1 . . . 1 $600 . . . . . . . . . . . . . . . . 7129 1 3 CBCACONH no . . . . . . . . . . 1 $Crk_SH3 . . . 1 $conditions_1 . . . 2 $700 . . . . . . . . . . . . . . . . 7129 1 4 HNCACB no . . . . . . . . . . 1 $Crk_SH3 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7129 1 5 CCCONH no . . . . . . . . . . 1 $Crk_SH3 . . . 1 $conditions_1 . . . 2 $700 . . . . . . . . . . . . . . . . 7129 1 6 HBHACONH no . . . . . . . . . . 1 $Crk_SH3 . . . 1 $conditions_1 . . . 2 $700 . . . . . . . . . . . . . . . . 7129 1 7 HCCONH no . . . . . . . . . . 1 $Crk_SH3 . . . 1 $conditions_1 . . . 2 $700 . . . . . . . . . . . . . . . . 7129 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 7129 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $Solution_Structure . . 1 $Solution_Structure 7129 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $Solution_Structure . . 1 $Solution_Structure 7129 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $Solution_Structure . . 1 $Solution_Structure 7129 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_ppm.out _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode ppm.out _Assigned_chem_shift_list.Entry_ID 7129 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.3 _Assigned_chem_shift_list.Chem_shift_15N_err 0.3 _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 1H15N_HSQC 1 $Crk_SH3 isotropic 7129 1 2 HNCO 1 $Crk_SH3 isotropic 7129 1 3 CBCACONH 1 $Crk_SH3 isotropic 7129 1 4 CCCONH 1 $Crk_SH3 isotropic 7129 1 5 HCCONH 1 $Crk_SH3 isotropic 7129 1 6 HBHACONH 1 $Crk_SH3 isotropic 7129 1 . HNCACB 1 $Crk_SH3 isotropic 7129 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $NMRView . . 7129 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 PRO HA H 1 4.400 0.01 . 1 . . . . 231 PRO HA . 7129 1 2 . 1 1 3 3 PRO HB2 H 1 2.232 0.01 . 2 . . . . 231 PRO HB1 . 7129 1 3 . 1 1 3 3 PRO HB3 H 1 1.705 0.01 . 2 . . . . 231 PRO HB2 . 7129 1 4 . 1 1 3 3 PRO HG2 H 1 2.018 0.01 . 2 . . . . 231 PRO HG1 . 7129 1 5 . 1 1 3 3 PRO HG3 H 1 1.711 0.01 . 2 . . . . 231 PRO HG2 . 7129 1 6 . 1 1 3 3 PRO HD2 H 1 3.882 0.01 . 2 . . . . 231 PRO HD1 . 7129 1 7 . 1 1 3 3 PRO HD3 H 1 3.469 0.01 . 2 . . . . 231 PRO HD2 . 7129 1 8 . 1 1 3 3 PRO C C 13 174.885 0.3 . 1 . . . . 231 PRO C . 7129 1 9 . 1 1 3 3 PRO CA C 13 62.133 0.3 . 1 . . . . 231 PRO CA . 7129 1 10 . 1 1 3 3 PRO CB C 13 31.254 0.3 . 1 . . . . 231 PRO CB . 7129 1 11 . 1 1 3 3 PRO CG C 13 26.747 0.3 . 1 . . . . 231 PRO CG . 7129 1 12 . 1 1 3 3 PRO CD C 13 49.676 0.3 . 1 . . . . 231 PRO CD . 7129 1 13 . 1 1 4 4 ASN H H 1 8.392 0.01 . 1 . . . . 232 ASN HN . 7129 1 14 . 1 1 4 4 ASN HA H 1 4.617 0.01 . 1 . . . . 232 ASN HA . 7129 1 15 . 1 1 4 4 ASN HB2 H 1 2.844 0.01 . 2 . . . . 232 ASN HB1 . 7129 1 16 . 1 1 4 4 ASN HB3 H 1 2.717 0.01 . 2 . . . . 232 ASN HB2 . 7129 1 17 . 1 1 4 4 ASN HD21 H 1 7.532 0.01 . 2 . . . . 232 ASN HD21 . 7129 1 18 . 1 1 4 4 ASN HD22 H 1 6.840 0.01 . 2 . . . . 232 ASN HD22 . 7129 1 19 . 1 1 4 4 ASN C C 13 175.334 0.3 . 1 . . . . 232 ASN C . 7129 1 20 . 1 1 4 4 ASN CA C 13 51.791 0.3 . 1 . . . . 232 ASN CA . 7129 1 21 . 1 1 4 4 ASN CB C 13 38.809 0.3 . 1 . . . . 232 ASN CB . 7129 1 22 . 1 1 4 4 ASN CG C 13 180.134 0.3 . 1 . . . . 232 ASN CG . 7129 1 23 . 1 1 4 4 ASN N N 15 117.264 0.3 . 1 . . . . 232 ASN N . 7129 1 24 . 1 1 4 4 ASN ND2 N 15 112.238 0.3 . 1 . . . . 232 ASN ND2 . 7129 1 25 . 1 1 5 5 LEU H H 1 8.428 0.01 . 1 . . . . 233 LEU HN . 7129 1 26 . 1 1 5 5 LEU HA H 1 4.393 0.01 . 1 . . . . 233 LEU HA . 7129 1 27 . 1 1 5 5 LEU HB2 H 1 1.543 0.01 . 2 . . . . 233 LEU HB1 . 7129 1 28 . 1 1 5 5 LEU HB3 H 1 1.515 0.01 . 2 . . . . 233 LEU HB2 . 7129 1 29 . 1 1 5 5 LEU HG H 1 1.449 0.01 . 1 . . . . 233 LEU HG . 7129 1 30 . 1 1 5 5 LEU HD11 H 1 0.709 0.01 . 4 . . . . 233 LEU HD11 . 7129 1 31 . 1 1 5 5 LEU HD12 H 1 0.709 0.01 . 4 . . . . 233 LEU HD11 . 7129 1 32 . 1 1 5 5 LEU HD13 H 1 0.709 0.01 . 4 . . . . 233 LEU HD11 . 7129 1 33 . 1 1 5 5 LEU C C 13 177.943 0.3 . 1 . . . . 233 LEU C . 7129 1 34 . 1 1 5 5 LEU CA C 13 54.480 0.3 . 1 . . . . 233 LEU CA . 7129 1 35 . 1 1 5 5 LEU CB C 13 40.484 0.3 . 1 . . . . 233 LEU CB . 7129 1 36 . 1 1 5 5 LEU CG C 13 26.553 0.3 . 1 . . . . 233 LEU CG . 7129 1 37 . 1 1 5 5 LEU CD1 C 13 24.923 0.3 . 2 . . . . 233 LEU CD1 . 7129 1 38 . 1 1 5 5 LEU CD2 C 13 22.989 0.3 . 2 . . . . 233 LEU CD2 . 7129 1 39 . 1 1 5 5 LEU N N 15 123.247 0.3 . 1 . . . . 233 LEU N . 7129 1 40 . 1 1 6 6 GLN H H 1 8.358 0.01 . 1 . . . . 234 GLN HN . 7129 1 41 . 1 1 6 6 GLN HA H 1 4.110 0.01 . 1 . . . . 234 GLN HA . 7129 1 42 . 1 1 6 6 GLN HB2 H 1 2.015 0.01 . 2 . . . . 234 GLN HB1 . 7129 1 43 . 1 1 6 6 GLN HG2 H 1 2.329 0.01 . 2 . . . . 234 GLN HG1 . 7129 1 44 . 1 1 6 6 GLN HE21 H 1 7.438 0.01 . 2 . . . . 234 GLN HE21 . 7129 1 45 . 1 1 6 6 GLN HE22 H 1 6.769 0.01 . 2 . . . . 234 GLN HE22 . 7129 1 46 . 1 1 6 6 GLN C C 13 176.356 0.3 . 1 . . . . 234 GLN C . 7129 1 47 . 1 1 6 6 GLN CA C 13 56.738 0.3 . 1 . . . . 234 GLN CA . 7129 1 48 . 1 1 6 6 GLN CB C 13 28.059 0.3 . 1 . . . . 234 GLN CB . 7129 1 49 . 1 1 6 6 GLN CG C 13 33.361 0.3 . 1 . . . . 234 GLN CG . 7129 1 50 . 1 1 6 6 GLN CD C 13 180.191 0.3 . 1 . . . . 234 GLN CD . 7129 1 51 . 1 1 6 6 GLN N N 15 119.262 0.3 . 1 . . . . 234 GLN N . 7129 1 52 . 1 1 6 6 GLN NE2 N 15 111.587 0.3 . 1 . . . . 234 GLN NE2 . 7129 1 53 . 1 1 7 7 ASN H H 1 8.150 0.01 . 1 . . . . 235 ASN HN . 7129 1 54 . 1 1 7 7 ASN HA H 1 4.831 0.01 . 1 . . . . 235 ASN HA . 7129 1 55 . 1 1 7 7 ASN HB2 H 1 2.941 0.01 . 2 . . . . 235 ASN HB1 . 7129 1 56 . 1 1 7 7 ASN HB3 H 1 2.690 0.01 . 2 . . . . 235 ASN HB2 . 7129 1 57 . 1 1 7 7 ASN HD21 H 1 7.608 0.01 . 2 . . . . 235 ASN HD21 . 7129 1 58 . 1 1 7 7 ASN C C 13 174.509 0.3 . 1 . . . . 235 ASN C . 7129 1 59 . 1 1 7 7 ASN CA C 13 52.179 0.3 . 1 . . . . 235 ASN CA . 7129 1 60 . 1 1 7 7 ASN CB C 13 37.233 0.3 . 1 . . . . 235 ASN CB . 7129 1 61 . 1 1 7 7 ASN CG C 13 177.030 0.3 . 1 . . . . 235 ASN CG . 7129 1 62 . 1 1 7 7 ASN N N 15 116.429 0.3 . 1 . . . . 235 ASN N . 7129 1 63 . 1 1 7 7 ASN ND2 N 15 112.312 0.3 . 1 . . . . 235 ASN ND2 . 7129 1 64 . 1 1 8 8 GLY H H 1 7.584 0.01 . 1 . . . . 236 GLY HN . 7129 1 65 . 1 1 8 8 GLY HA2 H 1 4.319 0.01 . 2 . . . . 236 GLY HA1 . 7129 1 66 . 1 1 8 8 GLY HA3 H 1 3.881 0.01 . 2 . . . . 236 GLY HA2 . 7129 1 67 . 1 1 8 8 GLY CA C 13 43.790 0.3 . 1 . . . . 236 GLY CA . 7129 1 68 . 1 1 8 8 GLY N N 15 108.343 0.3 . 1 . . . . 236 GLY N . 7129 1 69 . 1 1 9 9 PRO HA H 1 4.368 0.01 . 1 . . . . 237 PRO HA . 7129 1 70 . 1 1 9 9 PRO HB2 H 1 2.016 0.01 . 2 . . . . 237 PRO HB1 . 7129 1 71 . 1 1 9 9 PRO HB3 H 1 1.497 0.01 . 2 . . . . 237 PRO HB2 . 7129 1 72 . 1 1 9 9 PRO HG2 H 1 2.001 0.01 . 2 . . . . 237 PRO HG1 . 7129 1 73 . 1 1 9 9 PRO HD2 H 1 3.590 0.01 . 2 . . . . 237 PRO HD1 . 7129 1 74 . 1 1 9 9 PRO C C 13 175.644 0.3 . 1 . . . . 237 PRO C . 7129 1 75 . 1 1 9 9 PRO CA C 13 62.285 0.3 . 1 . . . . 237 PRO CA . 7129 1 76 . 1 1 9 9 PRO CB C 13 31.922 0.3 . 1 . . . . 237 PRO CB . 7129 1 77 . 1 1 9 9 PRO CG C 13 26.473 0.3 . 1 . . . . 237 PRO CG . 7129 1 78 . 1 1 9 9 PRO CD C 13 48.917 0.3 . 1 . . . . 237 PRO CD . 7129 1 79 . 1 1 10 10 ILE H H 1 7.740 0.01 . 1 . . . . 238 ILE HN . 7129 1 80 . 1 1 10 10 ILE HA H 1 4.454 0.01 . 1 . . . . 238 ILE HA . 7129 1 81 . 1 1 10 10 ILE HB H 1 1.796 0.01 . 1 . . . . 238 ILE HB . 7129 1 82 . 1 1 10 10 ILE HG12 H 1 1.412 0.01 . 9 . . . . 238 ILE HG11 . 7129 1 83 . 1 1 10 10 ILE HG13 H 1 1.062 0.01 . 9 . . . . 238 ILE HG12 . 7129 1 84 . 1 1 10 10 ILE HG21 H 1 0.893 0.01 . 4 . . . . 238 ILE HG21 . 7129 1 85 . 1 1 10 10 ILE HG22 H 1 0.893 0.01 . 4 . . . . 238 ILE HG21 . 7129 1 86 . 1 1 10 10 ILE HG23 H 1 0.893 0.01 . 4 . . . . 238 ILE HG21 . 7129 1 87 . 1 1 10 10 ILE HD11 H 1 0.750 0.01 . 1 . . . . 238 ILE HD11 . 7129 1 88 . 1 1 10 10 ILE HD12 H 1 0.750 0.01 . 1 . . . . 238 ILE HD11 . 7129 1 89 . 1 1 10 10 ILE HD13 H 1 0.750 0.01 . 1 . . . . 238 ILE HD11 . 7129 1 90 . 1 1 10 10 ILE C C 13 173.588 0.3 . 1 . . . . 238 ILE C . 7129 1 91 . 1 1 10 10 ILE CA C 13 58.785 0.3 . 1 . . . . 238 ILE CA . 7129 1 92 . 1 1 10 10 ILE CB C 13 39.778 0.3 . 1 . . . . 238 ILE CB . 7129 1 93 . 1 1 10 10 ILE CG1 C 13 25.815 0.3 . 2 . . . . 238 ILE CG1 . 7129 1 94 . 1 1 10 10 ILE CG2 C 13 17.338 0.3 . 2 . . . . 238 ILE CG2 . 7129 1 95 . 1 1 10 10 ILE CD1 C 13 12.965 0.3 . 1 . . . . 238 ILE CD1 . 7129 1 96 . 1 1 10 10 ILE N N 15 118.161 0.3 . 1 . . . . 238 ILE N . 7129 1 97 . 1 1 11 11 TYR H H 1 8.866 0.01 . 1 . . . . 239 TYR HN . 7129 1 98 . 1 1 11 11 TYR HA H 1 5.553 0.01 . 1 . . . . 239 TYR HA . 7129 1 99 . 1 1 11 11 TYR HB2 H 1 2.895 0.01 . 2 . . . . 239 TYR HB1 . 7129 1 100 . 1 1 11 11 TYR HB3 H 1 2.806 0.01 . 2 . . . . 239 TYR HB2 . 7129 1 101 . 1 1 11 11 TYR HD1 H 1 7.031 0.01 . 2 . . . . 239 TYR HD1 . 7129 1 102 . 1 1 11 11 TYR HE1 H 1 6.760 0.01 . 2 . . . . 239 TYR HE1 . 7129 1 103 . 1 1 11 11 TYR C C 13 174.645 0.3 . 1 . . . . 239 TYR C . 7129 1 104 . 1 1 11 11 TYR CA C 13 56.453 0.3 . 1 . . . . 239 TYR CA . 7129 1 105 . 1 1 11 11 TYR CB C 13 41.558 0.3 . 1 . . . . 239 TYR CB . 7129 1 106 . 1 1 11 11 TYR CD1 C 13 133.213 0.3 . 2 . . . . 239 TYR CD1 . 7129 1 107 . 1 1 11 11 TYR CE1 C 13 117.823 0.3 . 2 . . . . 239 TYR CE1 . 7129 1 108 . 1 1 11 11 TYR N N 15 121.753 0.3 . 1 . . . . 239 TYR N . 7129 1 109 . 1 1 12 12 ALA H H 1 9.402 0.01 . 1 . . . . 240 ALA HN . 7129 1 110 . 1 1 12 12 ALA HA H 1 5.155 0.01 . 1 . . . . 240 ALA HA . 7129 1 111 . 1 1 12 12 ALA HB1 H 1 1.207 0.01 . 1 . . . . 240 ALA HB1 . 7129 1 112 . 1 1 12 12 ALA HB2 H 1 1.207 0.01 . 1 . . . . 240 ALA HB1 . 7129 1 113 . 1 1 12 12 ALA HB3 H 1 1.207 0.01 . 1 . . . . 240 ALA HB1 . 7129 1 114 . 1 1 12 12 ALA C C 13 174.047 0.3 . 1 . . . . 240 ALA C . 7129 1 115 . 1 1 12 12 ALA CA C 13 49.501 0.3 . 1 . . . . 240 ALA CA . 7129 1 116 . 1 1 12 12 ALA CB C 13 22.928 0.3 . 1 . . . . 240 ALA CB . 7129 1 117 . 1 1 12 12 ALA N N 15 121.621 0.3 . 1 . . . . 240 ALA N . 7129 1 118 . 1 1 13 13 ARG H H 1 8.814 0.01 . 1 . . . . 241 ARG HN . 7129 1 119 . 1 1 13 13 ARG HA H 1 5.221 0.01 . 1 . . . . 241 ARG HA . 7129 1 120 . 1 1 13 13 ARG HB2 H 1 1.676 0.01 . 2 . . . . 241 ARG HB1 . 7129 1 121 . 1 1 13 13 ARG HG2 H 1 1.537 0.01 . 2 . . . . 241 ARG HG1 . 7129 1 122 . 1 1 13 13 ARG HD2 H 1 3.129 0.01 . 2 . . . . 241 ARG HD1 . 7129 1 123 . 1 1 13 13 ARG HD3 H 1 3.081 0.01 . 2 . . . . 241 ARG HD2 . 7129 1 124 . 1 1 13 13 ARG C C 13 176.128 0.3 . 1 . . . . 241 ARG C . 7129 1 125 . 1 1 13 13 ARG CA C 13 52.262 0.3 . 1 . . . . 241 ARG CA . 7129 1 126 . 1 1 13 13 ARG CB C 13 31.921 0.3 . 1 . . . . 241 ARG CB . 7129 1 127 . 1 1 13 13 ARG CG C 13 26.006 0.3 . 1 . . . . 241 ARG CG . 7129 1 128 . 1 1 13 13 ARG CD C 13 41.883 0.3 . 1 . . . . 241 ARG CD . 7129 1 129 . 1 1 13 13 ARG N N 15 120.198 0.3 . 1 . . . . 241 ARG N . 7129 1 130 . 1 1 14 14 VAL H H 1 8.889 0.01 . 1 . . . . 242 VAL HN . 7129 1 131 . 1 1 14 14 VAL HA H 1 4.015 0.01 . 1 . . . . 242 VAL HA . 7129 1 132 . 1 1 14 14 VAL HB H 1 2.275 0.01 . 1 . . . . 242 VAL HB . 7129 1 133 . 1 1 14 14 VAL HG11 H 1 0.889 0.01 . 4 . . . . 242 VAL HG11 . 7129 1 134 . 1 1 14 14 VAL HG12 H 1 0.889 0.01 . 4 . . . . 242 VAL HG11 . 7129 1 135 . 1 1 14 14 VAL HG13 H 1 0.889 0.01 . 4 . . . . 242 VAL HG11 . 7129 1 136 . 1 1 14 14 VAL HG21 H 1 0.716 0.01 . 4 . . . . 242 VAL HG21 . 7129 1 137 . 1 1 14 14 VAL HG22 H 1 0.716 0.01 . 4 . . . . 242 VAL HG21 . 7129 1 138 . 1 1 14 14 VAL HG23 H 1 0.716 0.01 . 4 . . . . 242 VAL HG21 . 7129 1 139 . 1 1 14 14 VAL C C 13 177.716 0.3 . 1 . . . . 242 VAL C . 7129 1 140 . 1 1 14 14 VAL CA C 13 63.509 0.3 . 1 . . . . 242 VAL CA . 7129 1 141 . 1 1 14 14 VAL CB C 13 31.311 0.3 . 1 . . . . 242 VAL CB . 7129 1 142 . 1 1 14 14 VAL CG1 C 13 23.262 0.3 . 2 . . . . 242 VAL CG1 . 7129 1 143 . 1 1 14 14 VAL N N 15 124.657 0.3 . 1 . . . . 242 VAL N . 7129 1 144 . 1 1 15 15 ILE H H 1 8.920 0.01 . 1 . . . . 243 ILE HN . 7129 1 145 . 1 1 15 15 ILE HA H 1 4.556 0.01 . 1 . . . . 243 ILE HA . 7129 1 146 . 1 1 15 15 ILE HB H 1 2.050 0.01 . 1 . . . . 243 ILE HB . 7129 1 147 . 1 1 15 15 ILE HG12 H 1 0.599 0.01 . 1 . . . . 243 ILE HG11 . 7129 1 148 . 1 1 15 15 ILE HG13 H 1 1.007 0.01 . 9 . . . . 243 ILE HG12 . 7129 1 149 . 1 1 15 15 ILE HG21 H 1 0.596 0.01 . 4 . . . . 243 ILE HG21 . 7129 1 150 . 1 1 15 15 ILE HG22 H 1 0.596 0.01 . 4 . . . . 243 ILE HG21 . 7129 1 151 . 1 1 15 15 ILE HG23 H 1 0.596 0.01 . 4 . . . . 243 ILE HG21 . 7129 1 152 . 1 1 15 15 ILE HD11 H 1 0.717 0.01 . 1 . . . . 243 ILE HD11 . 7129 1 153 . 1 1 15 15 ILE HD12 H 1 0.717 0.01 . 1 . . . . 243 ILE HD11 . 7129 1 154 . 1 1 15 15 ILE HD13 H 1 0.717 0.01 . 1 . . . . 243 ILE HD11 . 7129 1 155 . 1 1 15 15 ILE C C 13 174.602 0.3 . 1 . . . . 243 ILE C . 7129 1 156 . 1 1 15 15 ILE CA C 13 60.149 0.3 . 1 . . . . 243 ILE CA . 7129 1 157 . 1 1 15 15 ILE CB C 13 38.952 0.3 . 1 . . . . 243 ILE CB . 7129 1 158 . 1 1 15 15 ILE CG1 C 13 26.068 0.3 . 2 . . . . 243 ILE CG1 . 7129 1 159 . 1 1 15 15 ILE CG2 C 13 18.232 0.3 . 2 . . . . 243 ILE CG2 . 7129 1 160 . 1 1 15 15 ILE CD1 C 13 13.236 0.3 . 1 . . . . 243 ILE CD1 . 7129 1 161 . 1 1 15 15 ILE N N 15 122.186 0.3 . 1 . . . . 243 ILE N . 7129 1 162 . 1 1 16 16 GLN H H 1 7.407 0.01 . 1 . . . . 244 GLN HN . 7129 1 163 . 1 1 16 16 GLN HA H 1 4.305 0.01 . 1 . . . . 244 GLN HA . 7129 1 164 . 1 1 16 16 GLN HB2 H 1 1.585 0.01 . 2 . . . . 244 GLN HB1 . 7129 1 165 . 1 1 16 16 GLN HB3 H 1 1.360 0.01 . 2 . . . . 244 GLN HB2 . 7129 1 166 . 1 1 16 16 GLN HG2 H 1 2.158 0.01 . 2 . . . . 244 GLN HG1 . 7129 1 167 . 1 1 16 16 GLN HE21 H 1 6.909 0.01 . 2 . . . . 244 GLN HE21 . 7129 1 168 . 1 1 16 16 GLN HE22 H 1 6.495 0.01 . 2 . . . . 244 GLN HE22 . 7129 1 169 . 1 1 16 16 GLN C C 13 172.157 0.3 . 1 . . . . 244 GLN C . 7129 1 170 . 1 1 16 16 GLN CA C 13 54.483 0.3 . 1 . . . . 244 GLN CA . 7129 1 171 . 1 1 16 16 GLN CB C 13 30.770 0.3 . 1 . . . . 244 GLN CB . 7129 1 172 . 1 1 16 16 GLN CG C 13 32.422 0.3 . 1 . . . . 244 GLN CG . 7129 1 173 . 1 1 16 16 GLN CD C 13 178.783 0.3 . 1 . . . . 244 GLN CD . 7129 1 174 . 1 1 16 16 GLN N N 15 123.474 0.3 . 1 . . . . 244 GLN N . 7129 1 175 . 1 1 16 16 GLN NE2 N 15 109.205 0.3 . 1 . . . . 244 GLN NE2 . 7129 1 176 . 1 1 17 17 LYS H H 1 8.394 0.01 . 1 . . . . 245 LYS HN . 7129 1 177 . 1 1 17 17 LYS HA H 1 3.879 0.01 . 1 . . . . 245 LYS HA . 7129 1 178 . 1 1 17 17 LYS HB2 H 1 1.938 0.01 . 2 . . . . 245 LYS HB1 . 7129 1 179 . 1 1 17 17 LYS HB3 H 1 1.683 0.01 . 2 . . . . 245 LYS HB2 . 7129 1 180 . 1 1 17 17 LYS HG2 H 1 1.632 0.01 . 2 . . . . 245 LYS HG1 . 7129 1 181 . 1 1 17 17 LYS HG3 H 1 1.254 0.01 . 2 . . . . 245 LYS HG2 . 7129 1 182 . 1 1 17 17 LYS HD2 H 1 1.697 0.01 . 2 . . . . 245 LYS HD1 . 7129 1 183 . 1 1 17 17 LYS HE2 H 1 2.973 0.01 . 2 . . . . 245 LYS HE1 . 7129 1 184 . 1 1 17 17 LYS HE3 H 1 2.713 0.01 . 2 . . . . 245 LYS HE2 . 7129 1 185 . 1 1 17 17 LYS C C 13 175.287 0.3 . 1 . . . . 245 LYS C . 7129 1 186 . 1 1 17 17 LYS CA C 13 56.272 0.3 . 1 . . . . 245 LYS CA . 7129 1 187 . 1 1 17 17 LYS CB C 13 33.004 0.3 . 1 . . . . 245 LYS CB . 7129 1 188 . 1 1 17 17 LYS CG C 13 24.128 0.3 . 1 . . . . 245 LYS CG . 7129 1 189 . 1 1 17 17 LYS CD C 13 29.219 0.3 . 1 . . . . 245 LYS CD . 7129 1 190 . 1 1 17 17 LYS CE C 13 41.315 0.3 . 1 . . . . 245 LYS CE . 7129 1 191 . 1 1 17 17 LYS N N 15 126.103 0.3 . 1 . . . . 245 LYS N . 7129 1 192 . 1 1 18 18 ARG H H 1 9.018 0.01 . 1 . . . . 246 ARG HN . 7129 1 193 . 1 1 18 18 ARG HA H 1 4.663 0.01 . 1 . . . . 246 ARG HA . 7129 1 194 . 1 1 18 18 ARG HB2 H 1 1.859 0.01 . 2 . . . . 246 ARG HB1 . 7129 1 195 . 1 1 18 18 ARG HB3 H 1 1.423 0.01 . 2 . . . . 246 ARG HB2 . 7129 1 196 . 1 1 18 18 ARG HG2 H 1 1.591 0.01 . 2 . . . . 246 ARG HG1 . 7129 1 197 . 1 1 18 18 ARG CA C 13 55.040 0.3 . 1 . . . . 246 ARG CA . 7129 1 198 . 1 1 18 18 ARG CB C 13 33.260 0.3 . 1 . . . . 246 ARG CB . 7129 1 199 . 1 1 18 18 ARG N N 15 126.031 0.3 . 1 . . . . 246 ARG N . 7129 1 200 . 1 1 19 19 VAL H H 1 9.047 0.01 . 1 . . . . 247 VAL HN . 7129 1 201 . 1 1 19 19 VAL HA H 1 4.481 0.01 . 1 . . . . 247 VAL HA . 7129 1 202 . 1 1 19 19 VAL HG11 H 1 0.908 0.01 . 2 . . . . 247 VAL HG11 . 7129 1 203 . 1 1 19 19 VAL HG12 H 1 0.908 0.01 . 2 . . . . 247 VAL HG11 . 7129 1 204 . 1 1 19 19 VAL HG13 H 1 0.908 0.01 . 2 . . . . 247 VAL HG11 . 7129 1 205 . 1 1 19 19 VAL N N 15 129.211 0.3 . 1 . . . . 247 VAL N . 7129 1 206 . 1 1 20 20 PRO HA H 1 4.234 0.01 . 1 . . . . 248 PRO HA . 7129 1 207 . 1 1 20 20 PRO HB2 H 1 2.049 0.01 . 2 . . . . 248 PRO HB1 . 7129 1 208 . 1 1 20 20 PRO HB3 H 1 1.879 0.01 . 2 . . . . 248 PRO HB2 . 7129 1 209 . 1 1 20 20 PRO HG2 H 1 1.879 0.01 . 2 . . . . 248 PRO HG1 . 7129 1 210 . 1 1 20 20 PRO HG3 H 1 1.561 0.01 . 2 . . . . 248 PRO HG2 . 7129 1 211 . 1 1 20 20 PRO HD2 H 1 3.880 0.01 . 2 . . . . 248 PRO HD1 . 7129 1 212 . 1 1 20 20 PRO HD3 H 1 3.761 0.01 . 2 . . . . 248 PRO HD2 . 7129 1 213 . 1 1 20 20 PRO C C 13 175.579 0.3 . 1 . . . . 248 PRO C . 7129 1 214 . 1 1 20 20 PRO CA C 13 61.571 0.3 . 1 . . . . 248 PRO CA . 7129 1 215 . 1 1 20 20 PRO CB C 13 32.258 0.3 . 1 . . . . 248 PRO CB . 7129 1 216 . 1 1 20 20 PRO CG C 13 26.434 0.3 . 1 . . . . 248 PRO CG . 7129 1 217 . 1 1 20 20 PRO CD C 13 50.335 0.3 . 1 . . . . 248 PRO CD . 7129 1 218 . 1 1 21 21 ASN H H 1 8.812 0.01 . 1 . . . . 249 ASN HN . 7129 1 219 . 1 1 21 21 ASN HA H 1 4.526 0.01 . 1 . . . . 249 ASN HA . 7129 1 220 . 1 1 21 21 ASN HB2 H 1 2.709 0.01 . 2 . . . . 249 ASN HB1 . 7129 1 221 . 1 1 21 21 ASN HB3 H 1 2.637 0.01 . 2 . . . . 249 ASN HB2 . 7129 1 222 . 1 1 21 21 ASN HD21 H 1 7.711 0.01 . 2 . . . . 249 ASN HD21 . 7129 1 223 . 1 1 21 21 ASN HD22 H 1 7.065 0.01 . 2 . . . . 249 ASN HD22 . 7129 1 224 . 1 1 21 21 ASN C C 13 176.225 0.3 . 1 . . . . 249 ASN C . 7129 1 225 . 1 1 21 21 ASN CA C 13 52.357 0.3 . 1 . . . . 249 ASN CA . 7129 1 226 . 1 1 21 21 ASN CB C 13 38.606 0.3 . 1 . . . . 249 ASN CB . 7129 1 227 . 1 1 21 21 ASN N N 15 120.197 0.3 . 1 . . . . 249 ASN N . 7129 1 228 . 1 1 21 21 ASN ND2 N 15 113.393 0.3 . 1 . . . . 249 ASN ND2 . 7129 1 229 . 1 1 22 22 ALA H H 1 8.657 0.01 . 1 . . . . 250 ALA HN . 7129 1 230 . 1 1 22 22 ALA HA H 1 3.905 0.01 . 1 . . . . 250 ALA HA . 7129 1 231 . 1 1 22 22 ALA HB1 H 1 1.159 0.01 . 1 . . . . 250 ALA HB1 . 7129 1 232 . 1 1 22 22 ALA HB2 H 1 1.159 0.01 . 1 . . . . 250 ALA HB1 . 7129 1 233 . 1 1 22 22 ALA HB3 H 1 1.159 0.01 . 1 . . . . 250 ALA HB1 . 7129 1 234 . 1 1 22 22 ALA C C 13 177.663 0.3 . 1 . . . . 250 ALA C . 7129 1 235 . 1 1 22 22 ALA CA C 13 53.568 0.3 . 1 . . . . 250 ALA CA . 7129 1 236 . 1 1 22 22 ALA CB C 13 17.700 0.3 . 1 . . . . 250 ALA CB . 7129 1 237 . 1 1 22 22 ALA N N 15 125.323 0.3 . 1 . . . . 250 ALA N . 7129 1 238 . 1 1 23 23 TYR H H 1 7.748 0.01 . 1 . . . . 251 TYR HN . 7129 1 239 . 1 1 23 23 TYR HA H 1 4.477 0.01 . 1 . . . . 251 TYR HA . 7129 1 240 . 1 1 23 23 TYR HB2 H 1 3.175 0.01 . 2 . . . . 251 TYR HB1 . 7129 1 241 . 1 1 23 23 TYR HB3 H 1 2.990 0.01 . 2 . . . . 251 TYR HB2 . 7129 1 242 . 1 1 23 23 TYR HD1 H 1 7.142 0.01 . 2 . . . . 251 TYR HD1 . 7129 1 243 . 1 1 23 23 TYR HE1 H 1 6.857 0.01 . 2 . . . . 251 TYR HE1 . 7129 1 244 . 1 1 23 23 TYR C C 13 175.230 0.3 . 1 . . . . 251 TYR C . 7129 1 245 . 1 1 23 23 TYR CA C 13 56.676 0.3 . 1 . . . . 251 TYR CA . 7129 1 246 . 1 1 23 23 TYR CB C 13 36.930 0.3 . 1 . . . . 251 TYR CB . 7129 1 247 . 1 1 23 23 TYR CD1 C 13 133.369 0.3 . 2 . . . . 251 TYR CD1 . 7129 1 248 . 1 1 23 23 TYR CE1 C 13 118.463 0.3 . 2 . . . . 251 TYR CE1 . 7129 1 249 . 1 1 23 23 TYR N N 15 112.342 0.3 . 1 . . . . 251 TYR N . 7129 1 250 . 1 1 24 24 ASP H H 1 7.459 0.01 . 1 . . . . 252 ASP HN . 7129 1 251 . 1 1 24 24 ASP HA H 1 4.873 0.01 . 1 . . . . 252 ASP HA . 7129 1 252 . 1 1 24 24 ASP HB2 H 1 2.948 0.01 . 2 . . . . 252 ASP HB1 . 7129 1 253 . 1 1 24 24 ASP HB3 H 1 2.455 0.01 . 2 . . . . 252 ASP HB2 . 7129 1 254 . 1 1 24 24 ASP C C 13 176.314 0.3 . 1 . . . . 252 ASP C . 7129 1 255 . 1 1 24 24 ASP CA C 13 51.913 0.3 . 1 . . . . 252 ASP CA . 7129 1 256 . 1 1 24 24 ASP CB C 13 39.705 0.3 . 1 . . . . 252 ASP CB . 7129 1 257 . 1 1 24 24 ASP N N 15 120.010 0.3 . 1 . . . . 252 ASP N . 7129 1 258 . 1 1 25 25 LYS H H 1 8.544 0.01 . 1 . . . . 253 LYS HN . 7129 1 259 . 1 1 25 25 LYS HA H 1 4.247 0.01 . 1 . . . . 253 LYS HA . 7129 1 260 . 1 1 25 25 LYS HB2 H 1 2.010 0.01 . 2 . . . . 253 LYS HB1 . 7129 1 261 . 1 1 25 25 LYS HB3 H 1 1.880 0.01 . 2 . . . . 253 LYS HB2 . 7129 1 262 . 1 1 25 25 LYS HG2 H 1 1.557 0.01 . 2 . . . . 253 LYS HG1 . 7129 1 263 . 1 1 25 25 LYS HD2 H 1 1.714 0.01 . 2 . . . . 253 LYS HD1 . 7129 1 264 . 1 1 25 25 LYS HE2 H 1 3.047 0.01 . 2 . . . . 253 LYS HE1 . 7129 1 265 . 1 1 25 25 LYS C C 13 177.327 0.3 . 1 . . . . 253 LYS C . 7129 1 266 . 1 1 25 25 LYS CA C 13 57.050 0.3 . 1 . . . . 253 LYS CA . 7129 1 267 . 1 1 25 25 LYS CB C 13 31.455 0.3 . 1 . . . . 253 LYS CB . 7129 1 268 . 1 1 25 25 LYS CG C 13 24.267 0.3 . 1 . . . . 253 LYS CG . 7129 1 269 . 1 1 25 25 LYS CD C 13 28.094 0.3 . 1 . . . . 253 LYS CD . 7129 1 270 . 1 1 25 25 LYS CE C 13 41.549 0.3 . 1 . . . . 253 LYS CE . 7129 1 271 . 1 1 25 25 LYS N N 15 122.830 0.3 . 1 . . . . 253 LYS N . 7129 1 272 . 1 1 26 26 THR H H 1 8.214 0.01 . 1 . . . . 254 THR HN . 7129 1 273 . 1 1 26 26 THR HA H 1 4.549 0.01 . 1 . . . . 254 THR HA . 7129 1 274 . 1 1 26 26 THR HB H 1 4.626 0.01 . 1 . . . . 254 THR HB . 7129 1 275 . 1 1 26 26 THR HG21 H 1 1.250 0.01 . 1 . . . . 254 THR HG21 . 7129 1 276 . 1 1 26 26 THR HG22 H 1 1.250 0.01 . 1 . . . . 254 THR HG21 . 7129 1 277 . 1 1 26 26 THR HG23 H 1 1.250 0.01 . 1 . . . . 254 THR HG21 . 7129 1 278 . 1 1 26 26 THR C C 13 173.028 0.3 . 1 . . . . 254 THR C . 7129 1 279 . 1 1 26 26 THR CA C 13 60.759 0.3 . 1 . . . . 254 THR CA . 7129 1 280 . 1 1 26 26 THR CB C 13 68.538 0.3 . 1 . . . . 254 THR CB . 7129 1 281 . 1 1 26 26 THR CG2 C 13 21.613 0.3 . 1 . . . . 254 THR CG2 . 7129 1 282 . 1 1 26 26 THR N N 15 107.679 0.3 . 1 . . . . 254 THR N . 7129 1 283 . 1 1 27 27 ALA H H 1 6.943 0.01 . 1 . . . . 255 ALA HN . 7129 1 284 . 1 1 27 27 ALA HA H 1 3.373 0.01 . 1 . . . . 255 ALA HA . 7129 1 285 . 1 1 27 27 ALA HB1 H 1 1.189 0.01 . 1 . . . . 255 ALA HB1 . 7129 1 286 . 1 1 27 27 ALA HB2 H 1 1.189 0.01 . 1 . . . . 255 ALA HB1 . 7129 1 287 . 1 1 27 27 ALA HB3 H 1 1.189 0.01 . 1 . . . . 255 ALA HB1 . 7129 1 288 . 1 1 27 27 ALA C C 13 176.421 0.3 . 1 . . . . 255 ALA C . 7129 1 289 . 1 1 27 27 ALA CA C 13 50.549 0.3 . 1 . . . . 255 ALA CA . 7129 1 290 . 1 1 27 27 ALA CB C 13 18.797 0.3 . 1 . . . . 255 ALA CB . 7129 1 291 . 1 1 27 27 ALA N N 15 123.797 0.3 . 1 . . . . 255 ALA N . 7129 1 292 . 1 1 28 28 LEU H H 1 8.419 0.01 . 1 . . . . 256 LEU HN . 7129 1 293 . 1 1 28 28 LEU HA H 1 4.188 0.01 . 1 . . . . 256 LEU HA . 7129 1 294 . 1 1 28 28 LEU HB2 H 1 1.439 0.01 . 2 . . . . 256 LEU HB1 . 7129 1 295 . 1 1 28 28 LEU HB3 H 1 0.907 0.01 . 2 . . . . 256 LEU HB2 . 7129 1 296 . 1 1 28 28 LEU HG H 1 1.323 0.01 . 1 . . . . 256 LEU HG . 7129 1 297 . 1 1 28 28 LEU HD11 H 1 0.707 0.01 . 2 . . . . 256 LEU HD11 . 7129 1 298 . 1 1 28 28 LEU HD12 H 1 0.707 0.01 . 2 . . . . 256 LEU HD11 . 7129 1 299 . 1 1 28 28 LEU HD13 H 1 0.707 0.01 . 2 . . . . 256 LEU HD11 . 7129 1 300 . 1 1 28 28 LEU HD21 H 1 0.576 0.01 . 4 . . . . 256 LEU HD22 . 7129 1 301 . 1 1 28 28 LEU HD22 H 1 0.576 0.01 . 4 . . . . 256 LEU HD22 . 7129 1 302 . 1 1 28 28 LEU HD23 H 1 0.576 0.01 . 4 . . . . 256 LEU HD22 . 7129 1 303 . 1 1 28 28 LEU C C 13 175.922 0.3 . 1 . . . . 256 LEU C . 7129 1 304 . 1 1 28 28 LEU CA C 13 53.657 0.3 . 1 . . . . 256 LEU CA . 7129 1 305 . 1 1 28 28 LEU CB C 13 43.301 0.3 . 1 . . . . 256 LEU CB . 7129 1 306 . 1 1 28 28 LEU CG C 13 25.436 0.3 . 1 . . . . 256 LEU CG . 7129 1 307 . 1 1 28 28 LEU CD1 C 13 27.908 0.3 . 1 . . . . 256 LEU CD1 . 7129 1 308 . 1 1 28 28 LEU CD2 C 13 24.038 0.3 . 2 . . . . 256 LEU CD2 . 7129 1 309 . 1 1 28 28 LEU N N 15 123.699 0.3 . 1 . . . . 256 LEU N . 7129 1 310 . 1 1 29 29 ALA H H 1 8.564 0.01 . 1 . . . . 257 ALA HN . 7129 1 311 . 1 1 29 29 ALA HA H 1 4.345 0.01 . 1 . . . . 257 ALA HA . 7129 1 312 . 1 1 29 29 ALA HB1 H 1 1.350 0.01 . 1 . . . . 257 ALA HB1 . 7129 1 313 . 1 1 29 29 ALA HB2 H 1 1.350 0.01 . 1 . . . . 257 ALA HB1 . 7129 1 314 . 1 1 29 29 ALA HB3 H 1 1.350 0.01 . 1 . . . . 257 ALA HB1 . 7129 1 315 . 1 1 29 29 ALA C C 13 176.035 0.3 . 1 . . . . 257 ALA C . 7129 1 316 . 1 1 29 29 ALA CA C 13 51.041 0.3 . 1 . . . . 257 ALA CA . 7129 1 317 . 1 1 29 29 ALA CB C 13 18.146 0.3 . 1 . . . . 257 ALA CB . 7129 1 318 . 1 1 29 29 ALA N N 15 129.104 0.3 . 1 . . . . 257 ALA N . 7129 1 319 . 1 1 30 30 LEU H H 1 8.337 0.01 . 1 . . . . 258 LEU HN . 7129 1 320 . 1 1 30 30 LEU HA H 1 4.770 0.01 . 1 . . . . 258 LEU HA . 7129 1 321 . 1 1 30 30 LEU HB2 H 1 1.624 0.01 . 2 . . . . 258 LEU HB1 . 7129 1 322 . 1 1 30 30 LEU HB3 H 1 1.497 0.01 . 2 . . . . 258 LEU HB2 . 7129 1 323 . 1 1 30 30 LEU HG H 1 1.502 0.01 . 1 . . . . 258 LEU HG . 7129 1 324 . 1 1 30 30 LEU HD11 H 1 0.537 0.01 . 4 . . . . 258 LEU HD11 . 7129 1 325 . 1 1 30 30 LEU HD12 H 1 0.537 0.01 . 4 . . . . 258 LEU HD11 . 7129 1 326 . 1 1 30 30 LEU HD13 H 1 0.537 0.01 . 4 . . . . 258 LEU HD11 . 7129 1 327 . 1 1 30 30 LEU HD21 H 1 0.450 0.01 . 4 . . . . 258 LEU HD22 . 7129 1 328 . 1 1 30 30 LEU HD22 H 1 0.450 0.01 . 4 . . . . 258 LEU HD22 . 7129 1 329 . 1 1 30 30 LEU HD23 H 1 0.450 0.01 . 4 . . . . 258 LEU HD22 . 7129 1 330 . 1 1 30 30 LEU C C 13 175.507 0.3 . 1 . . . . 258 LEU C . 7129 1 331 . 1 1 30 30 LEU CA C 13 53.047 0.3 . 1 . . . . 258 LEU CA . 7129 1 332 . 1 1 30 30 LEU CB C 13 44.796 0.3 . 1 . . . . 258 LEU CB . 7129 1 333 . 1 1 30 30 LEU CG C 13 22.330 0.3 . 1 . . . . 258 LEU CG . 7129 1 334 . 1 1 30 30 LEU CD1 C 13 24.933 0.3 . 1 . . . . 258 LEU CD1 . 7129 1 335 . 1 1 30 30 LEU N N 15 119.937 0.3 . 1 . . . . 258 LEU N . 7129 1 336 . 1 1 31 31 GLU H H 1 8.569 0.01 . 1 . . . . 259 GLU HN . 7129 1 337 . 1 1 31 31 GLU HA H 1 4.574 0.01 . 1 . . . . 259 GLU HA . 7129 1 338 . 1 1 31 31 GLU HB2 H 1 1.897 0.01 . 2 . . . . 259 GLU HB1 . 7129 1 339 . 1 1 31 31 GLU HB3 H 1 1.552 0.01 . 2 . . . . 259 GLU HB2 . 7129 1 340 . 1 1 31 31 GLU HG2 H 1 2.268 0.01 . 2 . . . . 259 GLU HG1 . 7129 1 341 . 1 1 31 31 GLU HG3 H 1 2.131 0.01 . 2 . . . . 259 GLU HG2 . 7129 1 342 . 1 1 31 31 GLU C C 13 175.177 0.3 . 1 . . . . 259 GLU C . 7129 1 343 . 1 1 31 31 GLU CA C 13 52.761 0.3 . 1 . . . . 259 GLU CA . 7129 1 344 . 1 1 31 31 GLU CB C 13 30.392 0.3 . 1 . . . . 259 GLU CB . 7129 1 345 . 1 1 31 31 GLU CG C 13 34.608 0.3 . 1 . . . . 259 GLU CG . 7129 1 346 . 1 1 31 31 GLU N N 15 122.158 0.3 . 1 . . . . 259 GLU N . 7129 1 347 . 1 1 32 32 VAL H H 1 8.862 0.01 . 1 . . . . 260 VAL HN . 7129 1 348 . 1 1 32 32 VAL HA H 1 2.902 0.01 . 1 . . . . 260 VAL HA . 7129 1 349 . 1 1 32 32 VAL HB H 1 1.833 0.01 . 1 . . . . 260 VAL HB . 7129 1 350 . 1 1 32 32 VAL HG11 H 1 0.840 0.01 . 4 . . . . 260 VAL HG11 . 7129 1 351 . 1 1 32 32 VAL HG12 H 1 0.840 0.01 . 4 . . . . 260 VAL HG11 . 7129 1 352 . 1 1 32 32 VAL HG13 H 1 0.840 0.01 . 4 . . . . 260 VAL HG11 . 7129 1 353 . 1 1 32 32 VAL C C 13 177.133 0.3 . 1 . . . . 260 VAL C . 7129 1 354 . 1 1 32 32 VAL CA C 13 65.012 0.3 . 1 . . . . 260 VAL CA . 7129 1 355 . 1 1 32 32 VAL CB C 13 30.387 0.3 . 1 . . . . 260 VAL CB . 7129 1 356 . 1 1 32 32 VAL CG1 C 13 22.499 0.3 . 2 . . . . 260 VAL CG1 . 7129 1 357 . 1 1 32 32 VAL CG2 C 13 20.651 0.3 . 2 . . . . 260 VAL CG2 . 7129 1 358 . 1 1 32 32 VAL N N 15 121.748 0.3 . 1 . . . . 260 VAL N . 7129 1 359 . 1 1 33 33 GLY H H 1 8.547 0.01 . 1 . . . . 261 GLY HN . 7129 1 360 . 1 1 33 33 GLY HA2 H 1 4.443 0.01 . 2 . . . . 261 GLY HA1 . 7129 1 361 . 1 1 33 33 GLY HA3 H 1 3.553 0.01 . 2 . . . . 261 GLY HA2 . 7129 1 362 . 1 1 33 33 GLY C C 13 174.564 0.3 . 1 . . . . 261 GLY C . 7129 1 363 . 1 1 33 33 GLY CA C 13 43.968 0.3 . 1 . . . . 261 GLY CA . 7129 1 364 . 1 1 33 33 GLY N N 15 113.836 0.3 . 1 . . . . 261 GLY N . 7129 1 365 . 1 1 34 34 GLU H H 1 7.692 0.01 . 1 . . . . 262 GLU HN . 7129 1 366 . 1 1 34 34 GLU HA H 1 4.172 0.01 . 1 . . . . 262 GLU HA . 7129 1 367 . 1 1 34 34 GLU HB2 H 1 2.164 0.01 . 2 . . . . 262 GLU HB1 . 7129 1 368 . 1 1 34 34 GLU HB3 H 1 1.851 0.01 . 2 . . . . 262 GLU HB2 . 7129 1 369 . 1 1 34 34 GLU HG2 H 1 2.295 0.01 . 2 . . . . 262 GLU HG1 . 7129 1 370 . 1 1 34 34 GLU HG3 H 1 2.065 0.01 . 2 . . . . 262 GLU HG2 . 7129 1 371 . 1 1 34 34 GLU C C 13 174.466 0.3 . 1 . . . . 262 GLU C . 7129 1 372 . 1 1 34 34 GLU CA C 13 56.551 0.3 . 1 . . . . 262 GLU CA . 7129 1 373 . 1 1 34 34 GLU CB C 13 29.996 0.3 . 1 . . . . 262 GLU CB . 7129 1 374 . 1 1 34 34 GLU CG C 13 37.789 0.3 . 1 . . . . 262 GLU CG . 7129 1 375 . 1 1 34 34 GLU N N 15 120.074 0.3 . 1 . . . . 262 GLU N . 7129 1 376 . 1 1 35 35 LEU H H 1 8.505 0.01 . 1 . . . . 263 LEU HN . 7129 1 377 . 1 1 35 35 LEU HA H 1 4.962 0.01 . 1 . . . . 263 LEU HA . 7129 1 378 . 1 1 35 35 LEU HB2 H 1 1.732 0.01 . 2 . . . . 263 LEU HB1 . 7129 1 379 . 1 1 35 35 LEU HB3 H 1 1.512 0.01 . 2 . . . . 263 LEU HB2 . 7129 1 380 . 1 1 35 35 LEU HG H 1 1.536 0.01 . 1 . . . . 263 LEU HG . 7129 1 381 . 1 1 35 35 LEU HD11 H 1 0.810 0.01 . 4 . . . . 263 LEU HD11 . 7129 1 382 . 1 1 35 35 LEU HD12 H 1 0.810 0.01 . 4 . . . . 263 LEU HD11 . 7129 1 383 . 1 1 35 35 LEU HD13 H 1 0.810 0.01 . 4 . . . . 263 LEU HD11 . 7129 1 384 . 1 1 35 35 LEU HD21 H 1 0.748 0.01 . 4 . . . . 263 LEU HD22 . 7129 1 385 . 1 1 35 35 LEU HD22 H 1 0.748 0.01 . 4 . . . . 263 LEU HD22 . 7129 1 386 . 1 1 35 35 LEU HD23 H 1 0.748 0.01 . 4 . . . . 263 LEU HD22 . 7129 1 387 . 1 1 35 35 LEU C C 13 175.599 0.3 . 1 . . . . 263 LEU C . 7129 1 388 . 1 1 35 35 LEU CA C 13 53.226 0.3 . 1 . . . . 263 LEU CA . 7129 1 389 . 1 1 35 35 LEU CB C 13 43.428 0.3 . 1 . . . . 263 LEU CB . 7129 1 390 . 1 1 35 35 LEU CG C 13 26.629 0.3 . 1 . . . . 263 LEU CG . 7129 1 391 . 1 1 35 35 LEU CD1 C 13 24.605 0.3 . 2 . . . . 263 LEU CD1 . 7129 1 392 . 1 1 35 35 LEU CD2 C 13 23.722 0.3 . 2 . . . . 263 LEU CD2 . 7129 1 393 . 1 1 35 35 LEU N N 15 121.378 0.3 . 1 . . . . 263 LEU N . 7129 1 394 . 1 1 36 36 VAL H H 1 9.367 0.01 . 1 . . . . 264 VAL HN . 7129 1 395 . 1 1 36 36 VAL HA H 1 4.430 0.01 . 1 . . . . 264 VAL HA . 7129 1 396 . 1 1 36 36 VAL HB H 1 1.592 0.01 . 1 . . . . 264 VAL HB . 7129 1 397 . 1 1 36 36 VAL HG11 H 1 0.422 0.01 . 4 . . . . 264 VAL HG11 . 7129 1 398 . 1 1 36 36 VAL HG12 H 1 0.422 0.01 . 4 . . . . 264 VAL HG11 . 7129 1 399 . 1 1 36 36 VAL HG13 H 1 0.422 0.01 . 4 . . . . 264 VAL HG11 . 7129 1 400 . 1 1 36 36 VAL C C 13 174.531 0.3 . 1 . . . . 264 VAL C . 7129 1 401 . 1 1 36 36 VAL CA C 13 59.573 0.3 . 1 . . . . 264 VAL CA . 7129 1 402 . 1 1 36 36 VAL CB C 13 34.259 0.3 . 1 . . . . 264 VAL CB . 7129 1 403 . 1 1 36 36 VAL CG1 C 13 21.519 0.3 . 2 . . . . 264 VAL CG1 . 7129 1 404 . 1 1 36 36 VAL CG2 C 13 20.379 0.3 . 2 . . . . 264 VAL CG2 . 7129 1 405 . 1 1 36 36 VAL N N 15 125.568 0.3 . 1 . . . . 264 VAL N . 7129 1 406 . 1 1 37 37 LYS H H 1 8.769 0.01 . 1 . . . . 265 LYS HN . 7129 1 407 . 1 1 37 37 LYS HA H 1 4.292 0.01 . 1 . . . . 265 LYS HA . 7129 1 408 . 1 1 37 37 LYS HB2 H 1 1.820 0.01 . 2 . . . . 265 LYS HB1 . 7129 1 409 . 1 1 37 37 LYS HB3 H 1 1.706 0.01 . 2 . . . . 265 LYS HB2 . 7129 1 410 . 1 1 37 37 LYS HG2 H 1 0.842 0.01 . 2 . . . . 265 LYS HG1 . 7129 1 411 . 1 1 37 37 LYS HD2 H 1 1.566 0.01 . 2 . . . . 265 LYS HD1 . 7129 1 412 . 1 1 37 37 LYS HE2 H 1 2.781 0.01 . 2 . . . . 265 LYS HE1 . 7129 1 413 . 1 1 37 37 LYS C C 13 175.028 0.3 . 1 . . . . 265 LYS C . 7129 1 414 . 1 1 37 37 LYS CA C 13 54.521 0.3 . 1 . . . . 265 LYS CA . 7129 1 415 . 1 1 37 37 LYS CB C 13 32.991 0.3 . 1 . . . . 265 LYS CB . 7129 1 416 . 1 1 37 37 LYS CG C 13 24.390 0.3 . 1 . . . . 265 LYS CG . 7129 1 417 . 1 1 37 37 LYS CD C 13 28.902 0.3 . 1 . . . . 265 LYS CD . 7129 1 418 . 1 1 37 37 LYS CE C 13 41.412 0.3 . 1 . . . . 265 LYS CE . 7129 1 419 . 1 1 37 37 LYS N N 15 127.716 0.3 . 1 . . . . 265 LYS N . 7129 1 420 . 1 1 38 38 VAL H H 1 9.110 0.01 . 1 . . . . 266 VAL HN . 7129 1 421 . 1 1 38 38 VAL HA H 1 4.190 0.01 . 1 . . . . 266 VAL HA . 7129 1 422 . 1 1 38 38 VAL HB H 1 2.054 0.01 . 1 . . . . 266 VAL HB . 7129 1 423 . 1 1 38 38 VAL HG11 H 1 1.139 0.01 . 4 . . . . 266 VAL HG11 . 7129 1 424 . 1 1 38 38 VAL HG12 H 1 1.139 0.01 . 4 . . . . 266 VAL HG11 . 7129 1 425 . 1 1 38 38 VAL HG13 H 1 1.139 0.01 . 4 . . . . 266 VAL HG11 . 7129 1 426 . 1 1 38 38 VAL HG21 H 1 0.891 0.01 . 4 . . . . 266 VAL HG22 . 7129 1 427 . 1 1 38 38 VAL HG22 H 1 0.891 0.01 . 4 . . . . 266 VAL HG22 . 7129 1 428 . 1 1 38 38 VAL HG23 H 1 0.891 0.01 . 4 . . . . 266 VAL HG22 . 7129 1 429 . 1 1 38 38 VAL C C 13 175.214 0.3 . 1 . . . . 266 VAL C . 7129 1 430 . 1 1 38 38 VAL CA C 13 63.485 0.3 . 1 . . . . 266 VAL CA . 7129 1 431 . 1 1 38 38 VAL CB C 13 30.975 0.3 . 1 . . . . 266 VAL CB . 7129 1 432 . 1 1 38 38 VAL CG1 C 13 21.600 0.3 . 2 . . . . 266 VAL CG1 . 7129 1 433 . 1 1 38 38 VAL N N 15 129.400 0.3 . 1 . . . . 266 VAL N . 7129 1 434 . 1 1 39 39 THR H H 1 9.153 0.01 . 1 . . . . 267 THR HN . 7129 1 435 . 1 1 39 39 THR HA H 1 4.428 0.01 . 1 . . . . 267 THR HA . 7129 1 436 . 1 1 39 39 THR HB H 1 4.222 0.01 . 1 . . . . 267 THR HB . 7129 1 437 . 1 1 39 39 THR HG21 H 1 1.060 0.01 . 1 . . . . 267 THR HG21 . 7129 1 438 . 1 1 39 39 THR HG22 H 1 1.060 0.01 . 1 . . . . 267 THR HG21 . 7129 1 439 . 1 1 39 39 THR HG23 H 1 1.060 0.01 . 1 . . . . 267 THR HG21 . 7129 1 440 . 1 1 39 39 THR C C 13 175.506 0.3 . 1 . . . . 267 THR C . 7129 1 441 . 1 1 39 39 THR CA C 13 61.236 0.3 . 1 . . . . 267 THR CA . 7129 1 442 . 1 1 39 39 THR CB C 13 68.431 0.3 . 1 . . . . 267 THR CB . 7129 1 443 . 1 1 39 39 THR CG2 C 13 21.239 0.3 . 1 . . . . 267 THR CG2 . 7129 1 444 . 1 1 39 39 THR N N 15 116.966 0.3 . 1 . . . . 267 THR N . 7129 1 445 . 1 1 40 40 LYS H H 1 7.641 0.01 . 1 . . . . 268 LYS HN . 7129 1 446 . 1 1 40 40 LYS HA H 1 4.122 0.01 . 1 . . . . 268 LYS HA . 7129 1 447 . 1 1 40 40 LYS HB2 H 1 1.718 0.01 . 2 . . . . 268 LYS HB1 . 7129 1 448 . 1 1 40 40 LYS HB3 H 1 1.460 0.01 . 2 . . . . 268 LYS HB2 . 7129 1 449 . 1 1 40 40 LYS HG2 H 1 1.201 0.01 . 2 . . . . 268 LYS HG1 . 7129 1 450 . 1 1 40 40 LYS HD2 H 1 1.598 0.01 . 2 . . . . 268 LYS HD1 . 7129 1 451 . 1 1 40 40 LYS HE2 H 1 2.932 0.01 . 2 . . . . 268 LYS HE1 . 7129 1 452 . 1 1 40 40 LYS C C 13 173.266 0.3 . 1 . . . . 268 LYS C . 7129 1 453 . 1 1 40 40 LYS CA C 13 56.858 0.3 . 1 . . . . 268 LYS CA . 7129 1 454 . 1 1 40 40 LYS CB C 13 35.622 0.3 . 1 . . . . 268 LYS CB . 7129 1 455 . 1 1 40 40 LYS CG C 13 24.419 0.3 . 1 . . . . 268 LYS CG . 7129 1 456 . 1 1 40 40 LYS CD C 13 28.488 0.3 . 1 . . . . 268 LYS CD . 7129 1 457 . 1 1 40 40 LYS CE C 13 41.446 0.3 . 1 . . . . 268 LYS CE . 7129 1 458 . 1 1 40 40 LYS N N 15 122.348 0.3 . 1 . . . . 268 LYS N . 7129 1 459 . 1 1 41 41 ILE H H 1 8.171 0.01 . 1 . . . . 269 ILE HN . 7129 1 460 . 1 1 41 41 ILE HA H 1 2.883 0.01 . 1 . . . . 269 ILE HA . 7129 1 461 . 1 1 41 41 ILE HB H 1 1.068 0.01 . 1 . . . . 269 ILE HB . 7129 1 462 . 1 1 41 41 ILE HG12 H 1 -0.624 0.01 . 1 . . . . 269 ILE HG11 . 7129 1 463 . 1 1 41 41 ILE HG13 H 1 0.656 0.01 . 1 . . . . 269 ILE HG12 . 7129 1 464 . 1 1 41 41 ILE HG21 H 1 0.088 0.01 . 1 . . . . 269 ILE HG21 . 7129 1 465 . 1 1 41 41 ILE HG22 H 1 0.088 0.01 . 1 . . . . 269 ILE HG21 . 7129 1 466 . 1 1 41 41 ILE HG23 H 1 0.088 0.01 . 1 . . . . 269 ILE HG21 . 7129 1 467 . 1 1 41 41 ILE HD11 H 1 0.088 0.01 . 1 . . . . 269 ILE HD11 . 7129 1 468 . 1 1 41 41 ILE HD12 H 1 0.088 0.01 . 1 . . . . 269 ILE HD11 . 7129 1 469 . 1 1 41 41 ILE HD13 H 1 0.088 0.01 . 1 . . . . 269 ILE HD11 . 7129 1 470 . 1 1 41 41 ILE C C 13 174.124 0.3 . 1 . . . . 269 ILE C . 7129 1 471 . 1 1 41 41 ILE CA C 13 59.719 0.3 . 1 . . . . 269 ILE CA . 7129 1 472 . 1 1 41 41 ILE CB C 13 37.969 0.3 . 1 . . . . 269 ILE CB . 7129 1 473 . 1 1 41 41 ILE CG1 C 13 26.105 0.3 . 2 . . . . 269 ILE CG1 . 7129 1 474 . 1 1 41 41 ILE CG2 C 13 15.330 0.3 . 1 . . . . 269 ILE CG2 . 7129 1 475 . 1 1 41 41 ILE CD1 C 13 12.170 0.3 . 1 . . . . 269 ILE CD1 . 7129 1 476 . 1 1 41 41 ILE N N 15 124.757 0.3 . 1 . . . . 269 ILE N . 7129 1 477 . 1 1 42 42 ASN H H 1 6.272 0.01 . 1 . . . . 270 ASN HN . 7129 1 478 . 1 1 42 42 ASN HA H 1 5.002 0.01 . 1 . . . . 270 ASN HA . 7129 1 479 . 1 1 42 42 ASN HB2 H 1 2.944 0.01 . 2 . . . . 270 ASN HB1 . 7129 1 480 . 1 1 42 42 ASN HD21 H 1 7.821 0.01 . 2 . . . . 270 ASN HD21 . 7129 1 481 . 1 1 42 42 ASN HD22 H 1 7.065 0.01 . 2 . . . . 270 ASN HD22 . 7129 1 482 . 1 1 42 42 ASN CA C 13 51.406 0.3 . 1 . . . . 270 ASN CA . 7129 1 483 . 1 1 42 42 ASN CB C 13 41.054 0.3 . 1 . . . . 270 ASN CB . 7129 1 484 . 1 1 42 42 ASN N N 15 122.208 0.3 . 1 . . . . 270 ASN N . 7129 1 485 . 1 1 42 42 ASN ND2 N 15 113.403 0.3 . 1 . . . . 270 ASN ND2 . 7129 1 486 . 1 1 43 43 VAL HA H 1 3.985 0.01 . 1 . . . . 271 VAL HA . 7129 1 487 . 1 1 43 43 VAL HB H 1 2.204 0.01 . 1 . . . . 271 VAL HB . 7129 1 488 . 1 1 43 43 VAL HG11 H 1 1.008 0.01 . 4 . . . . 271 VAL HG11 . 7129 1 489 . 1 1 43 43 VAL HG12 H 1 1.008 0.01 . 4 . . . . 271 VAL HG11 . 7129 1 490 . 1 1 43 43 VAL HG13 H 1 1.008 0.01 . 4 . . . . 271 VAL HG11 . 7129 1 491 . 1 1 43 43 VAL HG21 H 1 0.993 0.01 . 4 . . . . 271 VAL HG22 . 7129 1 492 . 1 1 43 43 VAL HG22 H 1 0.993 0.01 . 4 . . . . 271 VAL HG22 . 7129 1 493 . 1 1 43 43 VAL HG23 H 1 0.993 0.01 . 4 . . . . 271 VAL HG22 . 7129 1 494 . 1 1 43 43 VAL C C 13 176.246 0.3 . 1 . . . . 271 VAL C . 7129 1 495 . 1 1 43 43 VAL CA C 13 63.620 0.3 . 1 . . . . 271 VAL CA . 7129 1 496 . 1 1 43 43 VAL CB C 13 30.887 0.3 . 1 . . . . 271 VAL CB . 7129 1 497 . 1 1 43 43 VAL CG1 C 13 19.944 0.3 . 2 . . . . 271 VAL CG1 . 7129 1 498 . 1 1 44 44 SER H H 1 8.334 0.01 . 1 . . . . 272 SER HN . 7129 1 499 . 1 1 44 44 SER HA H 1 4.281 0.01 . 1 . . . . 272 SER HA . 7129 1 500 . 1 1 44 44 SER HB2 H 1 3.956 0.01 . 2 . . . . 272 SER HB1 . 7129 1 501 . 1 1 44 44 SER C C 13 175.399 0.3 . 1 . . . . 272 SER C . 7129 1 502 . 1 1 44 44 SER CA C 13 58.234 0.3 . 1 . . . . 272 SER CA . 7129 1 503 . 1 1 44 44 SER CB C 13 62.981 0.3 . 1 . . . . 272 SER CB . 7129 1 504 . 1 1 44 44 SER N N 15 115.684 0.3 . 1 . . . . 272 SER N . 7129 1 505 . 1 1 45 45 GLY H H 1 7.961 0.01 . 1 . . . . 273 GLY HN . 7129 1 506 . 1 1 45 45 GLY HA2 H 1 4.418 0.01 . 2 . . . . 273 GLY HA1 . 7129 1 507 . 1 1 45 45 GLY HA3 H 1 3.707 0.01 . 2 . . . . 273 GLY HA2 . 7129 1 508 . 1 1 45 45 GLY C C 13 172.432 0.3 . 1 . . . . 273 GLY C . 7129 1 509 . 1 1 45 45 GLY CA C 13 44.443 0.3 . 1 . . . . 273 GLY CA . 7129 1 510 . 1 1 45 45 GLY N N 15 108.510 0.3 . 1 . . . . 273 GLY N . 7129 1 511 . 1 1 46 46 GLN H H 1 8.004 0.01 . 1 . . . . 274 GLN HN . 7129 1 512 . 1 1 46 46 GLN HA H 1 4.652 0.01 . 1 . . . . 274 GLN HA . 7129 1 513 . 1 1 46 46 GLN HB2 H 1 1.927 0.01 . 2 . . . . 274 GLN HB1 . 7129 1 514 . 1 1 46 46 GLN HB3 H 1 1.792 0.01 . 2 . . . . 274 GLN HB2 . 7129 1 515 . 1 1 46 46 GLN HG2 H 1 2.191 0.01 . 2 . . . . 274 GLN HG1 . 7129 1 516 . 1 1 46 46 GLN HG3 H 1 2.056 0.01 . 2 . . . . 274 GLN HG2 . 7129 1 517 . 1 1 46 46 GLN HE21 H 1 7.267 0.01 . 2 . . . . 274 GLN HE21 . 7129 1 518 . 1 1 46 46 GLN HE22 H 1 6.407 0.01 . 2 . . . . 274 GLN HE22 . 7129 1 519 . 1 1 46 46 GLN C C 13 174.755 0.3 . 1 . . . . 274 GLN C . 7129 1 520 . 1 1 46 46 GLN CA C 13 53.874 0.3 . 1 . . . . 274 GLN CA . 7129 1 521 . 1 1 46 46 GLN CB C 13 27.429 0.3 . 1 . . . . 274 GLN CB . 7129 1 522 . 1 1 46 46 GLN CG C 13 33.198 0.3 . 1 . . . . 274 GLN CG . 7129 1 523 . 1 1 46 46 GLN CD C 13 179.373 0.3 . 1 . . . . 274 GLN CD . 7129 1 524 . 1 1 46 46 GLN N N 15 120.776 0.3 . 1 . . . . 274 GLN N . 7129 1 525 . 1 1 46 46 GLN NE2 N 15 111.154 0.3 . 1 . . . . 274 GLN NE2 . 7129 1 526 . 1 1 47 47 TRP H H 1 8.407 0.01 . 1 . . . . 275 TRP HN . 7129 1 527 . 1 1 47 47 TRP HA H 1 4.854 0.01 . 1 . . . . 275 TRP HA . 7129 1 528 . 1 1 47 47 TRP HB2 H 1 3.097 0.01 . 2 . . . . 275 TRP HB1 . 7129 1 529 . 1 1 47 47 TRP HB3 H 1 2.052 0.01 . 2 . . . . 275 TRP HB2 . 7129 1 530 . 1 1 47 47 TRP HD1 H 1 6.911 0.01 . 1 . . . . 275 TRP HD1 . 7129 1 531 . 1 1 47 47 TRP HE1 H 1 9.898 0.01 . 2 . . . . 275 TRP HE1 . 7129 1 532 . 1 1 47 47 TRP HE3 H 1 7.503 0.01 . 3 . . . . 275 TRP HE3 . 7129 1 533 . 1 1 47 47 TRP HZ2 H 1 7.156 0.01 . 2 . . . . 275 TRP HZ2 . 7129 1 534 . 1 1 47 47 TRP HZ3 H 1 6.944 0.01 . 3 . . . . 275 TRP HZ3 . 7129 1 535 . 1 1 47 47 TRP HH2 H 1 7.152 0.01 . 1 . . . . 275 TRP HH2 . 7129 1 536 . 1 1 47 47 TRP C C 13 173.576 0.3 . 1 . . . . 275 TRP C . 7129 1 537 . 1 1 47 47 TRP CA C 13 53.611 0.3 . 1 . . . . 275 TRP CA . 7129 1 538 . 1 1 47 47 TRP CB C 13 31.083 0.3 . 1 . . . . 275 TRP CB . 7129 1 539 . 1 1 47 47 TRP CD1 C 13 121.362 0.3 . 2 . . . . 275 TRP CD1 . 7129 1 540 . 1 1 47 47 TRP CE3 C 13 120.900 0.3 . 3 . . . . 275 TRP CE3 . 7129 1 541 . 1 1 47 47 TRP CZ2 C 13 115.646 0.3 . 2 . . . . 275 TRP CZ2 . 7129 1 542 . 1 1 47 47 TRP CZ3 C 13 120.722 0.3 . 3 . . . . 275 TRP CZ3 . 7129 1 543 . 1 1 47 47 TRP CH2 C 13 125.268 0.3 . 1 . . . . 275 TRP CH2 . 7129 1 544 . 1 1 47 47 TRP N N 15 127.463 0.3 . 1 . . . . 275 TRP N . 7129 1 545 . 1 1 47 47 TRP NE1 N 15 127.000 0.3 . 1 . . . . 275 TRP NE1 . 7129 1 546 . 1 1 48 48 GLU H H 1 8.607 0.01 . 1 . . . . 276 GLU HN . 7129 1 547 . 1 1 48 48 GLU HA H 1 5.262 0.01 . 1 . . . . 276 GLU HA . 7129 1 548 . 1 1 48 48 GLU HB2 H 1 1.988 0.01 . 2 . . . . 276 GLU HB1 . 7129 1 549 . 1 1 48 48 GLU HB3 H 1 1.731 0.01 . 2 . . . . 276 GLU HB2 . 7129 1 550 . 1 1 48 48 GLU HG2 H 1 2.015 0.01 . 2 . . . . 276 GLU HG1 . 7129 1 551 . 1 1 48 48 GLU C C 13 176.588 0.3 . 1 . . . . 276 GLU C . 7129 1 552 . 1 1 48 48 GLU CA C 13 53.726 0.3 . 1 . . . . 276 GLU CA . 7129 1 553 . 1 1 48 48 GLU CB C 13 32.457 0.3 . 1 . . . . 276 GLU CB . 7129 1 554 . 1 1 48 48 GLU CG C 13 35.919 0.3 . 1 . . . . 276 GLU CG . 7129 1 555 . 1 1 48 48 GLU N N 15 115.689 0.3 . 1 . . . . 276 GLU N . 7129 1 556 . 1 1 49 49 GLY H H 1 8.961 0.01 . 1 . . . . 277 GLY HN . 7129 1 557 . 1 1 49 49 GLY HA2 H 1 5.020 0.01 . 2 . . . . 277 GLY HA1 . 7129 1 558 . 1 1 49 49 GLY HA3 H 1 4.265 0.01 . 2 . . . . 277 GLY HA2 . 7129 1 559 . 1 1 49 49 GLY C C 13 170.617 0.3 . 1 . . . . 277 GLY C . 7129 1 560 . 1 1 49 49 GLY CA C 13 46.204 0.3 . 1 . . . . 277 GLY CA . 7129 1 561 . 1 1 49 49 GLY N N 15 108.438 0.3 . 1 . . . . 277 GLY N . 7129 1 562 . 1 1 50 50 GLU H H 1 9.033 0.01 . 1 . . . . 278 GLU HN . 7129 1 563 . 1 1 50 50 GLU HA H 1 5.580 0.01 . 1 . . . . 278 GLU HA . 7129 1 564 . 1 1 50 50 GLU HB2 H 1 1.988 0.01 . 2 . . . . 278 GLU HB1 . 7129 1 565 . 1 1 50 50 GLU HB3 H 1 1.878 0.01 . 2 . . . . 278 GLU HB2 . 7129 1 566 . 1 1 50 50 GLU HG2 H 1 2.119 0.01 . 2 . . . . 278 GLU HG1 . 7129 1 567 . 1 1 50 50 GLU C C 13 175.407 0.3 . 1 . . . . 278 GLU C . 7129 1 568 . 1 1 50 50 GLU CA C 13 53.162 0.3 . 1 . . . . 278 GLU CA . 7129 1 569 . 1 1 50 50 GLU CB C 13 33.188 0.3 . 1 . . . . 278 GLU CB . 7129 1 570 . 1 1 50 50 GLU CG C 13 35.634 0.3 . 1 . . . . 278 GLU CG . 7129 1 571 . 1 1 50 50 GLU N N 15 117.972 0.3 . 1 . . . . 278 GLU N . 7129 1 572 . 1 1 51 51 CYS H H 1 9.063 0.01 . 1 . . . . 279 CYS HN . 7129 1 573 . 1 1 51 51 CYS HA H 1 4.696 0.01 . 1 . . . . 279 CYS HA . 7129 1 574 . 1 1 51 51 CYS HB2 H 1 2.598 0.01 . 2 . . . . 279 CYS HB1 . 7129 1 575 . 1 1 51 51 CYS C C 13 174.747 0.3 . 1 . . . . 279 CYS C . 7129 1 576 . 1 1 51 51 CYS CA C 13 57.848 0.3 . 1 . . . . 279 CYS CA . 7129 1 577 . 1 1 51 51 CYS CB C 13 28.774 0.3 . 1 . . . . 279 CYS CB . 7129 1 578 . 1 1 51 51 CYS N N 15 123.743 0.3 . 1 . . . . 279 CYS N . 7129 1 579 . 1 1 52 52 ASN H H 1 9.804 0.01 . 1 . . . . 280 ASN HN . 7129 1 580 . 1 1 52 52 ASN HA H 1 4.493 0.01 . 1 . . . . 280 ASN HA . 7129 1 581 . 1 1 52 52 ASN HB2 H 1 3.124 0.01 . 2 . . . . 280 ASN HB1 . 7129 1 582 . 1 1 52 52 ASN HB3 H 1 2.814 0.01 . 2 . . . . 280 ASN HB2 . 7129 1 583 . 1 1 52 52 ASN HD21 H 1 7.625 0.01 . 2 . . . . 280 ASN HD21 . 7129 1 584 . 1 1 52 52 ASN HD22 H 1 7.019 0.01 . 2 . . . . 280 ASN HD22 . 7129 1 585 . 1 1 52 52 ASN C C 13 174.774 0.3 . 1 . . . . 280 ASN C . 7129 1 586 . 1 1 52 52 ASN CA C 13 53.640 0.3 . 1 . . . . 280 ASN CA . 7129 1 587 . 1 1 52 52 ASN CB C 13 36.935 0.3 . 1 . . . . 280 ASN CB . 7129 1 588 . 1 1 52 52 ASN CG C 13 177.750 0.3 . 1 . . . . 280 ASN CG . 7129 1 589 . 1 1 52 52 ASN N N 15 129.084 0.3 . 1 . . . . 280 ASN N . 7129 1 590 . 1 1 52 52 ASN ND2 N 15 113.989 0.3 . 1 . . . . 280 ASN ND2 . 7129 1 591 . 1 1 53 53 GLY H H 1 8.879 0.01 . 1 . . . . 281 GLY HN . 7129 1 592 . 1 1 53 53 GLY HA2 H 1 4.161 0.01 . 2 . . . . 281 GLY HA1 . 7129 1 593 . 1 1 53 53 GLY HA3 H 1 3.645 0.01 . 2 . . . . 281 GLY HA2 . 7129 1 594 . 1 1 53 53 GLY C C 13 173.571 0.3 . 1 . . . . 281 GLY C . 7129 1 595 . 1 1 53 53 GLY CA C 13 44.774 0.3 . 1 . . . . 281 GLY CA . 7129 1 596 . 1 1 53 53 GLY N N 15 103.541 0.3 . 1 . . . . 281 GLY N . 7129 1 597 . 1 1 54 54 LYS H H 1 7.756 0.01 . 1 . . . . 282 LYS HN . 7129 1 598 . 1 1 54 54 LYS HA H 1 4.642 0.01 . 1 . . . . 282 LYS HA . 7129 1 599 . 1 1 54 54 LYS HB2 H 1 1.822 0.01 . 2 . . . . 282 LYS HB1 . 7129 1 600 . 1 1 54 54 LYS HG2 H 1 1.446 0.01 . 2 . . . . 282 LYS HG1 . 7129 1 601 . 1 1 54 54 LYS HD2 H 1 1.823 0.01 . 2 . . . . 282 LYS HD1 . 7129 1 602 . 1 1 54 54 LYS HD3 H 1 1.721 0.01 . 2 . . . . 282 LYS HD2 . 7129 1 603 . 1 1 54 54 LYS HE2 H 1 3.047 0.01 . 2 . . . . 282 LYS HE1 . 7129 1 604 . 1 1 54 54 LYS C C 13 174.363 0.3 . 1 . . . . 282 LYS C . 7129 1 605 . 1 1 54 54 LYS CA C 13 53.817 0.3 . 1 . . . . 282 LYS CA . 7129 1 606 . 1 1 54 54 LYS CB C 13 33.759 0.3 . 1 . . . . 282 LYS CB . 7129 1 607 . 1 1 54 54 LYS CG C 13 24.194 0.3 . 1 . . . . 282 LYS CG . 7129 1 608 . 1 1 54 54 LYS CD C 13 28.112 0.3 . 1 . . . . 282 LYS CD . 7129 1 609 . 1 1 54 54 LYS CE C 13 41.627 0.3 . 1 . . . . 282 LYS CE . 7129 1 610 . 1 1 54 54 LYS N N 15 120.605 0.3 . 1 . . . . 282 LYS N . 7129 1 611 . 1 1 55 55 ARG H H 1 8.477 0.01 . 1 . . . . 283 ARG HN . 7129 1 612 . 1 1 55 55 ARG HA H 1 5.507 0.01 . 1 . . . . 283 ARG HA . 7129 1 613 . 1 1 55 55 ARG HB2 H 1 1.831 0.01 . 2 . . . . 283 ARG HB1 . 7129 1 614 . 1 1 55 55 ARG HB3 H 1 1.751 0.01 . 2 . . . . 283 ARG HB2 . 7129 1 615 . 1 1 55 55 ARG HG2 H 1 1.564 0.01 . 2 . . . . 283 ARG HG1 . 7129 1 616 . 1 1 55 55 ARG HD2 H 1 3.169 0.01 . 2 . . . . 283 ARG HD1 . 7129 1 617 . 1 1 55 55 ARG C C 13 175.974 0.3 . 1 . . . . 283 ARG C . 7129 1 618 . 1 1 55 55 ARG CA C 13 53.598 0.3 . 1 . . . . 283 ARG CA . 7129 1 619 . 1 1 55 55 ARG CB C 13 32.701 0.3 . 1 . . . . 283 ARG CB . 7129 1 620 . 1 1 55 55 ARG CG C 13 26.546 0.3 . 1 . . . . 283 ARG CG . 7129 1 621 . 1 1 55 55 ARG CD C 13 42.848 0.3 . 1 . . . . 283 ARG CD . 7129 1 622 . 1 1 55 55 ARG N N 15 119.375 0.3 . 1 . . . . 283 ARG N . 7129 1 623 . 1 1 56 56 GLY H H 1 8.588 0.01 . 1 . . . . 284 GLY HN . 7129 1 624 . 1 1 56 56 GLY HA2 H 1 4.393 0.01 . 2 . . . . 284 GLY HA1 . 7129 1 625 . 1 1 56 56 GLY HA3 H 1 4.212 0.01 . 2 . . . . 284 GLY HA2 . 7129 1 626 . 1 1 56 56 GLY C C 13 171.243 0.3 . 1 . . . . 284 GLY C . 7129 1 627 . 1 1 56 56 GLY CA C 13 45.410 0.3 . 1 . . . . 284 GLY CA . 7129 1 628 . 1 1 56 56 GLY N N 15 109.473 0.3 . 1 . . . . 284 GLY N . 7129 1 629 . 1 1 57 57 HIS H H 1 8.296 0.01 . 1 . . . . 285 HIS HN . 7129 1 630 . 1 1 57 57 HIS HA H 1 6.073 0.01 . 1 . . . . 285 HIS HA . 7129 1 631 . 1 1 57 57 HIS HB2 H 1 3.002 0.01 . 2 . . . . 285 HIS HB1 . 7129 1 632 . 1 1 57 57 HIS HD2 H 1 6.940 0.01 . 2 . . . . 285 HIS HD2 . 7129 1 633 . 1 1 57 57 HIS HE1 H 1 7.696 0.01 . 3 . . . . 285 HIS HE1 . 7129 1 634 . 1 1 57 57 HIS C C 13 176.291 0.3 . 1 . . . . 285 HIS C . 7129 1 635 . 1 1 57 57 HIS CA C 13 53.295 0.3 . 1 . . . . 285 HIS CA . 7129 1 636 . 1 1 57 57 HIS CB C 13 32.888 0.3 . 1 . . . . 285 HIS CB . 7129 1 637 . 1 1 57 57 HIS CD2 C 13 120.514 0.3 . 1 . . . . 285 HIS CD2 . 7129 1 638 . 1 1 57 57 HIS CE1 C 13 138.690 0.3 . 1 . . . . 285 HIS CE1 . 7129 1 639 . 1 1 57 57 HIS N N 15 115.706 0.3 . 1 . . . . 285 HIS N . 7129 1 640 . 1 1 58 58 PHE H H 1 9.028 0.01 . 1 . . . . 286 PHE HN . 7129 1 641 . 1 1 58 58 PHE HA H 1 5.116 0.01 . 1 . . . . 286 PHE HA . 7129 1 642 . 1 1 58 58 PHE HB2 H 1 3.005 0.01 . 2 . . . . 286 PHE HB1 . 7129 1 643 . 1 1 58 58 PHE HB3 H 1 2.680 0.01 . 2 . . . . 286 PHE HB2 . 7129 1 644 . 1 1 58 58 PHE HD1 H 1 6.906 0.01 . 2 . . . . 286 PHE HD1 . 7129 1 645 . 1 1 58 58 PHE HE1 H 1 6.950 0.01 . 3 . . . . 286 PHE HE1 . 7129 1 646 . 1 1 58 58 PHE HZ H 1 7.275 0.01 . 1 . . . . 286 PHE HZ . 7129 1 647 . 1 1 58 58 PHE CA C 13 54.889 0.3 . 1 . . . . 286 PHE CA . 7129 1 648 . 1 1 58 58 PHE CB C 13 38.436 0.3 . 1 . . . . 286 PHE CB . 7129 1 649 . 1 1 58 58 PHE CD1 C 13 133.619 0.3 . 2 . . . . 286 PHE CD1 . 7129 1 650 . 1 1 58 58 PHE CE1 C 13 130.046 0.3 . 2 . . . . 286 PHE CE1 . 7129 1 651 . 1 1 58 58 PHE CZ C 13 128.812 0.3 . 1 . . . . 286 PHE CZ . 7129 1 652 . 1 1 58 58 PHE N N 15 118.414 0.3 . 1 . . . . 286 PHE N . 7129 1 653 . 1 1 59 59 PRO HA H 1 4.893 0.01 . 1 . . . . 287 PRO HA . 7129 1 654 . 1 1 59 59 PRO HB2 H 1 2.220 0.01 . 2 . . . . 287 PRO HB1 . 7129 1 655 . 1 1 59 59 PRO HB3 H 1 2.014 0.01 . 2 . . . . 287 PRO HB2 . 7129 1 656 . 1 1 59 59 PRO HG2 H 1 1.578 0.01 . 2 . . . . 287 PRO HG1 . 7129 1 657 . 1 1 59 59 PRO HD2 H 1 3.682 0.01 . 2 . . . . 287 PRO HD1 . 7129 1 658 . 1 1 59 59 PRO HD3 H 1 3.243 0.01 . 2 . . . . 287 PRO HD2 . 7129 1 659 . 1 1 59 59 PRO C C 13 179.368 0.3 . 1 . . . . 287 PRO C . 7129 1 660 . 1 1 59 59 PRO CA C 13 60.230 0.3 . 1 . . . . 287 PRO CA . 7129 1 661 . 1 1 59 59 PRO CB C 13 30.869 0.3 . 1 . . . . 287 PRO CB . 7129 1 662 . 1 1 59 59 PRO CG C 13 26.250 0.3 . 1 . . . . 287 PRO CG . 7129 1 663 . 1 1 59 59 PRO CD C 13 49.702 0.3 . 1 . . . . 287 PRO CD . 7129 1 664 . 1 1 60 60 PHE H H 1 8.368 0.01 . 1 . . . . 288 PHE HN . 7129 1 665 . 1 1 60 60 PHE HA H 1 3.488 0.01 . 1 . . . . 288 PHE HA . 7129 1 666 . 1 1 60 60 PHE HB2 H 1 1.281 0.01 . 2 . . . . 288 PHE HB1 . 7129 1 667 . 1 1 60 60 PHE HD1 H 1 6.929 0.01 . 2 . . . . 288 PHE HD1 . 7129 1 668 . 1 1 60 60 PHE HE1 H 1 7.294 0.01 . 2 . . . . 288 PHE HE1 . 7129 1 669 . 1 1 60 60 PHE C C 13 174.661 0.3 . 1 . . . . 288 PHE C . 7129 1 670 . 1 1 60 60 PHE CA C 13 58.551 0.3 . 1 . . . . 288 PHE CA . 7129 1 671 . 1 1 60 60 PHE CB C 13 35.161 0.3 . 1 . . . . 288 PHE CB . 7129 1 672 . 1 1 60 60 PHE CD1 C 13 132.159 0.3 . 2 . . . . 288 PHE CD1 . 7129 1 673 . 1 1 60 60 PHE CE1 C 13 130.173 0.3 . 2 . . . . 288 PHE CE1 . 7129 1 674 . 1 1 60 60 PHE N N 15 124.101 0.3 . 1 . . . . 288 PHE N . 7129 1 675 . 1 1 61 61 THR H H 1 6.625 0.01 . 1 . . . . 289 THR HN . 7129 1 676 . 1 1 61 61 THR HA H 1 3.563 0.01 . 1 . . . . 289 THR HA . 7129 1 677 . 1 1 61 61 THR HB H 1 4.145 0.01 . 1 . . . . 289 THR HB . 7129 1 678 . 1 1 61 61 THR HG21 H 1 0.796 0.01 . 1 . . . . 289 THR HG21 . 7129 1 679 . 1 1 61 61 THR HG22 H 1 0.796 0.01 . 1 . . . . 289 THR HG21 . 7129 1 680 . 1 1 61 61 THR HG23 H 1 0.796 0.01 . 1 . . . . 289 THR HG21 . 7129 1 681 . 1 1 61 61 THR C C 13 175.884 0.3 . 1 . . . . 289 THR C . 7129 1 682 . 1 1 61 61 THR CA C 13 61.768 0.3 . 1 . . . . 289 THR CA . 7129 1 683 . 1 1 61 61 THR CB C 13 68.727 0.3 . 1 . . . . 289 THR CB . 7129 1 684 . 1 1 61 61 THR CG2 C 13 21.362 0.3 . 1 . . . . 289 THR CG2 . 7129 1 685 . 1 1 61 61 THR N N 15 106.933 0.3 . 1 . . . . 289 THR N . 7129 1 686 . 1 1 62 62 HIS H H 1 7.729 0.01 . 1 . . . . 290 HIS HN . 7129 1 687 . 1 1 62 62 HIS HA H 1 4.218 0.01 . 1 . . . . 290 HIS HA . 7129 1 688 . 1 1 62 62 HIS HB2 H 1 3.746 0.01 . 2 . . . . 290 HIS HB1 . 7129 1 689 . 1 1 62 62 HIS HB3 H 1 2.823 0.01 . 2 . . . . 290 HIS HB2 . 7129 1 690 . 1 1 62 62 HIS HD2 H 1 6.925 0.01 . 3 . . . . 290 HIS HD2 . 7129 1 691 . 1 1 62 62 HIS HE1 H 1 7.578 0.01 . 3 . . . . 290 HIS HE1 . 7129 1 692 . 1 1 62 62 HIS C C 13 174.863 0.3 . 1 . . . . 290 HIS C . 7129 1 693 . 1 1 62 62 HIS CA C 13 56.816 0.3 . 1 . . . . 290 HIS CA . 7129 1 694 . 1 1 62 62 HIS CB C 13 29.041 0.3 . 1 . . . . 290 HIS CB . 7129 1 695 . 1 1 62 62 HIS CD2 C 13 120.490 0.3 . 1 . . . . 290 HIS CD2 . 7129 1 696 . 1 1 62 62 HIS CE1 C 13 138.699 0.3 . 1 . . . . 290 HIS CE1 . 7129 1 697 . 1 1 62 62 HIS N N 15 118.625 0.3 . 1 . . . . 290 HIS N . 7129 1 698 . 1 1 63 63 VAL H H 1 7.571 0.01 . 1 . . . . 291 VAL HN . 7129 1 699 . 1 1 63 63 VAL HA H 1 5.338 0.01 . 1 . . . . 291 VAL HA . 7129 1 700 . 1 1 63 63 VAL HB H 1 1.885 0.01 . 1 . . . . 291 VAL HB . 7129 1 701 . 1 1 63 63 VAL HG11 H 1 0.833 0.01 . 4 . . . . 291 VAL HG11 . 7129 1 702 . 1 1 63 63 VAL HG12 H 1 0.833 0.01 . 4 . . . . 291 VAL HG11 . 7129 1 703 . 1 1 63 63 VAL HG13 H 1 0.833 0.01 . 4 . . . . 291 VAL HG11 . 7129 1 704 . 1 1 63 63 VAL HG21 H 1 0.534 0.01 . 4 . . . . 291 VAL HG22 . 7129 1 705 . 1 1 63 63 VAL HG22 H 1 0.534 0.01 . 4 . . . . 291 VAL HG22 . 7129 1 706 . 1 1 63 63 VAL HG23 H 1 0.534 0.01 . 4 . . . . 291 VAL HG22 . 7129 1 707 . 1 1 63 63 VAL C C 13 172.706 0.3 . 1 . . . . 291 VAL C . 7129 1 708 . 1 1 63 63 VAL CA C 13 57.612 0.3 . 1 . . . . 291 VAL CA . 7129 1 709 . 1 1 63 63 VAL CB C 13 35.002 0.3 . 1 . . . . 291 VAL CB . 7129 1 710 . 1 1 63 63 VAL CG1 C 13 20.496 0.3 . 2 . . . . 291 VAL CG1 . 7129 1 711 . 1 1 63 63 VAL CG2 C 13 17.814 0.3 . 2 . . . . 291 VAL CG2 . 7129 1 712 . 1 1 63 63 VAL N N 15 110.189 0.3 . 1 . . . . 291 VAL N . 7129 1 713 . 1 1 64 64 ARG H H 1 8.929 0.01 . 1 . . . . 292 ARG HN . 7129 1 714 . 1 1 64 64 ARG HA H 1 4.797 0.01 . 1 . . . . 292 ARG HA . 7129 1 715 . 1 1 64 64 ARG HB2 H 1 1.688 0.01 . 2 . . . . 292 ARG HB1 . 7129 1 716 . 1 1 64 64 ARG HG2 H 1 1.584 0.01 . 2 . . . . 292 ARG HG1 . 7129 1 717 . 1 1 64 64 ARG HD2 H 1 3.201 0.01 . 2 . . . . 292 ARG HD1 . 7129 1 718 . 1 1 64 64 ARG C C 13 175.751 0.3 . 1 . . . . 292 ARG C . 7129 1 719 . 1 1 64 64 ARG CA C 13 53.294 0.3 . 1 . . . . 292 ARG CA . 7129 1 720 . 1 1 64 64 ARG CB C 13 32.556 0.3 . 1 . . . . 292 ARG CB . 7129 1 721 . 1 1 64 64 ARG CG C 13 26.373 0.3 . 1 . . . . 292 ARG CG . 7129 1 722 . 1 1 64 64 ARG CD C 13 42.693 0.3 . 1 . . . . 292 ARG CD . 7129 1 723 . 1 1 64 64 ARG N N 15 119.117 0.3 . 1 . . . . 292 ARG N . 7129 1 724 . 1 1 65 65 LEU H H 1 9.143 0.01 . 1 . . . . 293 LEU HN . 7129 1 725 . 1 1 65 65 LEU HA H 1 4.388 0.01 . 1 . . . . 293 LEU HA . 7129 1 726 . 1 1 65 65 LEU HB2 H 1 1.893 0.01 . 2 . . . . 293 LEU HB1 . 7129 1 727 . 1 1 65 65 LEU HB3 H 1 1.685 0.01 . 2 . . . . 293 LEU HB2 . 7129 1 728 . 1 1 65 65 LEU HG H 1 2.054 0.01 . 1 . . . . 293 LEU HG . 7129 1 729 . 1 1 65 65 LEU HD11 H 1 1.174 0.01 . 4 . . . . 293 LEU HD11 . 7129 1 730 . 1 1 65 65 LEU HD12 H 1 1.174 0.01 . 4 . . . . 293 LEU HD11 . 7129 1 731 . 1 1 65 65 LEU HD13 H 1 1.174 0.01 . 4 . . . . 293 LEU HD11 . 7129 1 732 . 1 1 65 65 LEU HD21 H 1 1.092 0.01 . 4 . . . . 293 LEU HD22 . 7129 1 733 . 1 1 65 65 LEU HD22 H 1 1.092 0.01 . 4 . . . . 293 LEU HD22 . 7129 1 734 . 1 1 65 65 LEU HD23 H 1 1.092 0.01 . 4 . . . . 293 LEU HD22 . 7129 1 735 . 1 1 65 65 LEU C C 13 177.034 0.3 . 1 . . . . 293 LEU C . 7129 1 736 . 1 1 65 65 LEU CA C 13 55.504 0.3 . 1 . . . . 293 LEU CA . 7129 1 737 . 1 1 65 65 LEU CB C 13 41.276 0.3 . 1 . . . . 293 LEU CB . 7129 1 738 . 1 1 65 65 LEU CG C 13 26.962 0.3 . 1 . . . . 293 LEU CG . 7129 1 739 . 1 1 65 65 LEU CD1 C 13 24.989 0.3 . 2 . . . . 293 LEU CD1 . 7129 1 740 . 1 1 65 65 LEU CD2 C 13 23.183 0.3 . 2 . . . . 293 LEU CD2 . 7129 1 741 . 1 1 65 65 LEU N N 15 126.376 0.3 . 1 . . . . 293 LEU N . 7129 1 742 . 1 1 66 66 LEU H H 1 8.491 0.01 . 1 . . . . 294 LEU HN . 7129 1 743 . 1 1 66 66 LEU HA H 1 4.463 0.01 . 1 . . . . 294 LEU HA . 7129 1 744 . 1 1 66 66 LEU HB2 H 1 1.697 0.01 . 2 . . . . 294 LEU HB1 . 7129 1 745 . 1 1 66 66 LEU HB3 H 1 1.530 0.01 . 2 . . . . 294 LEU HB2 . 7129 1 746 . 1 1 66 66 LEU HG H 1 1.632 0.01 . 1 . . . . 294 LEU HG . 7129 1 747 . 1 1 66 66 LEU HD11 H 1 0.810 0.01 . 4 . . . . 294 LEU HD11 . 7129 1 748 . 1 1 66 66 LEU HD12 H 1 0.810 0.01 . 4 . . . . 294 LEU HD11 . 7129 1 749 . 1 1 66 66 LEU HD13 H 1 0.810 0.01 . 4 . . . . 294 LEU HD11 . 7129 1 750 . 1 1 66 66 LEU C C 13 177.017 0.3 . 1 . . . . 294 LEU C . 7129 1 751 . 1 1 66 66 LEU CA C 13 54.097 0.3 . 1 . . . . 294 LEU CA . 7129 1 752 . 1 1 66 66 LEU CB C 13 41.167 0.3 . 1 . . . . 294 LEU CB . 7129 1 753 . 1 1 66 66 LEU CG C 13 27.048 0.3 . 1 . . . . 294 LEU CG . 7129 1 754 . 1 1 66 66 LEU CD1 C 13 25.035 0.3 . 2 . . . . 294 LEU CD1 . 7129 1 755 . 1 1 66 66 LEU CD2 C 13 22.399 0.3 . 2 . . . . 294 LEU CD2 . 7129 1 756 . 1 1 66 66 LEU N N 15 122.361 0.3 . 1 . . . . 294 LEU N . 7129 1 757 . 1 1 67 67 ASP H H 1 8.624 0.01 . 1 . . . . 295 ASP HN . 7129 1 758 . 1 1 67 67 ASP HA H 1 4.651 0.01 . 1 . . . . 295 ASP HA . 7129 1 759 . 1 1 67 67 ASP HB2 H 1 2.799 0.01 . 2 . . . . 295 ASP HB1 . 7129 1 760 . 1 1 67 67 ASP HB3 H 1 2.657 0.01 . 2 . . . . 295 ASP HB2 . 7129 1 761 . 1 1 67 67 ASP C C 13 176.371 0.3 . 1 . . . . 295 ASP C . 7129 1 762 . 1 1 67 67 ASP CA C 13 53.503 0.3 . 1 . . . . 295 ASP CA . 7129 1 763 . 1 1 67 67 ASP CB C 13 40.714 0.3 . 1 . . . . 295 ASP CB . 7129 1 764 . 1 1 67 67 ASP N N 15 120.856 0.3 . 1 . . . . 295 ASP N . 7129 1 765 . 1 1 68 68 GLN H H 1 8.343 0.01 . 1 . . . . 296 GLN HN . 7129 1 766 . 1 1 68 68 GLN HA H 1 4.309 0.01 . 1 . . . . 296 GLN HA . 7129 1 767 . 1 1 68 68 GLN HB2 H 1 2.155 0.01 . 2 . . . . 296 GLN HB1 . 7129 1 768 . 1 1 68 68 GLN HB3 H 1 2.008 0.01 . 2 . . . . 296 GLN HB2 . 7129 1 769 . 1 1 68 68 GLN HG2 H 1 2.367 0.01 . 2 . . . . 296 GLN HG1 . 7129 1 770 . 1 1 68 68 GLN HE21 H 1 7.546 0.01 . 2 . . . . 296 GLN HE21 . 7129 1 771 . 1 1 68 68 GLN HE22 H 1 6.843 0.01 . 2 . . . . 296 GLN HE22 . 7129 1 772 . 1 1 68 68 GLN C C 13 175.756 0.3 . 1 . . . . 296 GLN C . 7129 1 773 . 1 1 68 68 GLN CA C 13 54.973 0.3 . 1 . . . . 296 GLN CA . 7129 1 774 . 1 1 68 68 GLN CB C 13 28.832 0.3 . 1 . . . . 296 GLN CB . 7129 1 775 . 1 1 68 68 GLN CG C 13 33.480 0.3 . 1 . . . . 296 GLN CG . 7129 1 776 . 1 1 68 68 GLN CD C 13 180.190 0.3 . 1 . . . . 296 GLN CD . 7129 1 777 . 1 1 68 68 GLN N N 15 119.972 0.3 . 1 . . . . 296 GLN N . 7129 1 778 . 1 1 68 68 GLN NE2 N 15 112.061 0.3 . 1 . . . . 296 GLN NE2 . 7129 1 779 . 1 1 69 69 GLN H H 1 8.433 0.01 . 1 . . . . 297 GLN HN . 7129 1 780 . 1 1 69 69 GLN HA H 1 4.282 0.01 . 1 . . . . 297 GLN HA . 7129 1 781 . 1 1 69 69 GLN HB2 H 1 2.111 0.01 . 2 . . . . 297 GLN HB1 . 7129 1 782 . 1 1 69 69 GLN HB3 H 1 1.996 0.01 . 2 . . . . 297 GLN HB2 . 7129 1 783 . 1 1 69 69 GLN HG2 H 1 2.335 0.01 . 2 . . . . 297 GLN HG1 . 7129 1 784 . 1 1 69 69 GLN HE21 H 1 7.546 0.01 . 2 . . . . 297 GLN HE21 . 7129 1 785 . 1 1 69 69 GLN HE22 H 1 6.805 0.01 . 2 . . . . 297 GLN HE22 . 7129 1 786 . 1 1 69 69 GLN C C 13 175.187 0.3 . 1 . . . . 297 GLN C . 7129 1 787 . 1 1 69 69 GLN CA C 13 55.295 0.3 . 1 . . . . 297 GLN CA . 7129 1 788 . 1 1 69 69 GLN CB C 13 28.685 0.3 . 1 . . . . 297 GLN CB . 7129 1 789 . 1 1 69 69 GLN CG C 13 33.456 0.3 . 1 . . . . 297 GLN CG . 7129 1 790 . 1 1 69 69 GLN N N 15 119.498 0.3 . 1 . . . . 297 GLN N . 7129 1 791 . 1 1 69 69 GLN NE2 N 15 112.058 0.3 . 1 . . . . 297 GLN NE2 . 7129 1 792 . 1 1 70 70 ASN H H 1 8.294 0.01 . 1 . . . . 298 ASN HN . 7129 1 793 . 1 1 70 70 ASN HA H 1 4.924 0.01 . 1 . . . . 298 ASN HA . 7129 1 794 . 1 1 70 70 ASN HB2 H 1 2.839 0.01 . 2 . . . . 298 ASN HB1 . 7129 1 795 . 1 1 70 70 ASN HB3 H 1 2.641 0.01 . 2 . . . . 298 ASN HB2 . 7129 1 796 . 1 1 70 70 ASN HD21 H 1 7.669 0.01 . 2 . . . . 298 ASN HD21 . 7129 1 797 . 1 1 70 70 ASN HD22 H 1 6.947 0.01 . 2 . . . . 298 ASN HD22 . 7129 1 798 . 1 1 70 70 ASN CA C 13 52.912 0.3 . 1 . . . . 298 ASN CA . 7129 1 799 . 1 1 70 70 ASN CB C 13 38.410 0.3 . 1 . . . . 298 ASN CB . 7129 1 800 . 1 1 70 70 ASN CG C 13 176.920 0.3 . 1 . . . . 298 ASN CG . 7129 1 801 . 1 1 70 70 ASN N N 15 119.341 0.3 . 1 . . . . 298 ASN N . 7129 1 802 . 1 1 70 70 ASN ND2 N 15 112.643 0.3 . 1 . . . . 298 ASN ND2 . 7129 1 803 . 1 1 71 71 PRO HA H 1 4.367 0.01 . 1 . . . . 299 PRO HA . 7129 1 804 . 1 1 71 71 PRO HB2 H 1 2.215 0.01 . 2 . . . . 299 PRO HB1 . 7129 1 805 . 1 1 71 71 PRO HB3 H 1 1.934 0.01 . 2 . . . . 299 PRO HB2 . 7129 1 806 . 1 1 71 71 PRO HG2 H 1 1.935 0.01 . 2 . . . . 299 PRO HG1 . 7129 1 807 . 1 1 71 71 PRO HD2 H 1 3.728 0.01 . 2 . . . . 299 PRO HD1 . 7129 1 808 . 1 1 71 71 PRO C C 13 176.423 0.3 . 1 . . . . 299 PRO C . 7129 1 809 . 1 1 71 71 PRO CA C 13 63.064 0.3 . 1 . . . . 299 PRO CA . 7129 1 810 . 1 1 71 71 PRO CB C 13 31.360 0.3 . 1 . . . . 299 PRO CB . 7129 1 811 . 1 1 71 71 PRO CG C 13 26.425 0.3 . 1 . . . . 299 PRO CG . 7129 1 812 . 1 1 71 71 PRO CD C 13 50.064 0.3 . 1 . . . . 299 PRO CD . 7129 1 813 . 1 1 72 72 ASP H H 1 8.116 0.01 . 1 . . . . 300 ASP HN . 7129 1 814 . 1 1 72 72 ASP HA H 1 4.545 0.01 . 1 . . . . 300 ASP HA . 7129 1 815 . 1 1 72 72 ASP HB2 H 1 2.714 0.01 . 2 . . . . 300 ASP HB1 . 7129 1 816 . 1 1 72 72 ASP HB3 H 1 2.547 0.01 . 2 . . . . 300 ASP HB2 . 7129 1 817 . 1 1 72 72 ASP C C 13 175.949 0.3 . 1 . . . . 300 ASP C . 7129 1 818 . 1 1 72 72 ASP CA C 13 53.786 0.3 . 1 . . . . 300 ASP CA . 7129 1 819 . 1 1 72 72 ASP CB C 13 40.269 0.3 . 1 . . . . 300 ASP CB . 7129 1 820 . 1 1 72 72 ASP N N 15 118.080 0.3 . 1 . . . . 300 ASP N . 7129 1 821 . 1 1 73 73 GLU H H 1 7.813 0.01 . 1 . . . . 301 GLU HN . 7129 1 822 . 1 1 73 73 GLU HA H 1 4.170 0.01 . 1 . . . . 301 GLU HA . 7129 1 823 . 1 1 73 73 GLU HB2 H 1 1.919 0.01 . 2 . . . . 301 GLU HB1 . 7129 1 824 . 1 1 73 73 GLU HB3 H 1 1.846 0.01 . 2 . . . . 301 GLU HB2 . 7129 1 825 . 1 1 73 73 GLU HG2 H 1 2.110 0.01 . 2 . . . . 301 GLU HG1 . 7129 1 826 . 1 1 73 73 GLU C C 13 175.178 0.3 . 1 . . . . 301 GLU C . 7129 1 827 . 1 1 73 73 GLU CA C 13 55.573 0.3 . 1 . . . . 301 GLU CA . 7129 1 828 . 1 1 73 73 GLU CB C 13 29.919 0.3 . 1 . . . . 301 GLU CB . 7129 1 829 . 1 1 73 73 GLU CG C 13 35.663 0.3 . 1 . . . . 301 GLU CG . 7129 1 830 . 1 1 73 73 GLU N N 15 119.786 0.3 . 1 . . . . 301 GLU N . 7129 1 831 . 1 1 74 74 ASP H H 1 8.168 0.01 . 1 . . . . 302 ASP HN . 7129 1 832 . 1 1 74 74 ASP HA H 1 4.544 0.01 . 1 . . . . 302 ASP HA . 7129 1 833 . 1 1 74 74 ASP HB2 H 1 2.608 0.01 . 2 . . . . 302 ASP HB1 . 7129 1 834 . 1 1 74 74 ASP HB3 H 1 2.492 0.01 . 2 . . . . 302 ASP HB2 . 7129 1 835 . 1 1 74 74 ASP C C 13 175.527 0.3 . 1 . . . . 302 ASP C . 7129 1 836 . 1 1 74 74 ASP CA C 13 53.292 0.3 . 1 . . . . 302 ASP CA . 7129 1 837 . 1 1 74 74 ASP CB C 13 40.640 0.3 . 1 . . . . 302 ASP CB . 7129 1 838 . 1 1 74 74 ASP N N 15 120.952 0.3 . 1 . . . . 302 ASP N . 7129 1 839 . 1 1 75 75 PHE H H 1 8.158 0.01 . 1 . . . . 303 PHE HN . 7129 1 840 . 1 1 75 75 PHE HA H 1 4.608 0.01 . 1 . . . . 303 PHE HA . 7129 1 841 . 1 1 75 75 PHE HB2 H 1 3.173 0.01 . 2 . . . . 303 PHE HB1 . 7129 1 842 . 1 1 75 75 PHE HB3 H 1 2.892 0.01 . 2 . . . . 303 PHE HB2 . 7129 1 843 . 1 1 75 75 PHE HD1 H 1 7.178 0.01 . 2 . . . . 303 PHE HD1 . 7129 1 844 . 1 1 75 75 PHE HE1 H 1 7.274 0.01 . 2 . . . . 303 PHE HE1 . 7129 1 845 . 1 1 75 75 PHE C C 13 174.690 0.3 . 1 . . . . 303 PHE C . 7129 1 846 . 1 1 75 75 PHE CA C 13 56.784 0.3 . 1 . . . . 303 PHE CA . 7129 1 847 . 1 1 75 75 PHE CB C 13 38.582 0.3 . 1 . . . . 303 PHE CB . 7129 1 848 . 1 1 75 75 PHE CD1 C 13 132.027 0.3 . 2 . . . . 303 PHE CD1 . 7129 1 849 . 1 1 75 75 PHE CE1 C 13 131.444 0.3 . 2 . . . . 303 PHE CE1 . 7129 1 850 . 1 1 75 75 PHE N N 15 121.280 0.3 . 1 . . . . 303 PHE N . 7129 1 851 . 1 1 76 76 SER H H 1 7.843 0.01 . 1 . . . . 304 SER HN . 7129 1 852 . 1 1 76 76 SER CA C 13 59.766 0.3 . 1 . . . . 304 SER CA . 7129 1 853 . 1 1 76 76 SER CB C 13 64.272 0.3 . 1 . . . . 304 SER CB . 7129 1 854 . 1 1 76 76 SER N N 15 122.226 0.3 . 1 . . . . 304 SER N . 7129 1 stop_ loop_ _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID _Ambiguous_atom_chem_shift.Atom_chem_shift_ID _Ambiguous_atom_chem_shift.Entry_ID _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID 1 30 7129 1 1 31 7129 1 1 32 7129 1 2 84 7129 1 2 85 7129 1 2 86 7129 1 3 133 7129 1 3 134 7129 1 3 135 7129 1 3 136 7129 1 3 137 7129 1 3 138 7129 1 4 149 7129 1 4 150 7129 1 4 151 7129 1 5 300 7129 1 5 301 7129 1 5 302 7129 1 6 324 7129 1 6 325 7129 1 6 326 7129 1 6 327 7129 1 6 328 7129 1 6 329 7129 1 7 350 7129 1 7 351 7129 1 7 352 7129 1 8 381 7129 1 8 382 7129 1 8 383 7129 1 8 384 7129 1 8 385 7129 1 8 386 7129 1 9 397 7129 1 9 398 7129 1 9 399 7129 1 10 423 7129 1 10 424 7129 1 10 425 7129 1 10 426 7129 1 10 427 7129 1 10 428 7129 1 11 488 7129 1 11 489 7129 1 11 490 7129 1 11 491 7129 1 11 492 7129 1 11 493 7129 1 12 701 7129 1 12 702 7129 1 12 703 7129 1 12 704 7129 1 12 705 7129 1 12 706 7129 1 13 729 7129 1 13 730 7129 1 13 731 7129 1 13 732 7129 1 13 733 7129 1 13 734 7129 1 14 747 7129 1 14 748 7129 1 14 749 7129 1 stop_ save_