data_19966 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19966 _Entry.Title ; Structure and function of the JAK interaction region in the intrinsically disordered N-terminus of SOCS5 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-05-12 _Entry.Accession_date 2014-05-12 _Entry.Last_release_date 2015-05-18 _Entry.Original_release_date 2015-05-18 _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 Indu Chandrashekaran . R. . 19966 2 Biswaranjan Mohanty . . . 19966 3 Edmond Linossi . M. . 19966 4 Laura Dagley . F. . 19966 5 James Murphy . M. . 19966 6 Sandra Nicholson . E. . 19966 7 Jeffrey Babon . J. . 19966 8 Raymond Norton . S. . 19966 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 19966 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID IUP . 19966 'JAK interaction region' . 19966 'Suppressors of cytokine signalling' . 19966 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19966 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 232 19966 '15N chemical shifts' 63 19966 '1H chemical shifts' 452 19966 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2015-05-18 2014-05-12 update author 'update chemical shifts' 19966 1 . . 2015-05-18 2014-05-12 original author 'original release' 19966 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MP6 'BMRB Entry Tracking System' 19966 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19966 _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 ; Structure and function of the JAK interaction region in the intrinsically disordered N-terminus of SOCS5 ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _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 Indu Chandrashekaran . R. . 19966 1 2 Biswaranjan Mohanty . . . 19966 1 3 Edmond Linossi . M. . 19966 1 4 Laura Dagley . F. . 19966 1 5 James Murphy . M. . 19966 1 6 Sandra Nicholson . E. . 19966 1 7 Jeffrey Babon . J. . 19966 1 8 Raymond Norton . S. . 19966 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19966 _Assembly.ID 1 _Assembly.Name 'N-terminus of SOCS5' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'N-terminus of SOCS5' 1 $SOCS5_JIR A . yes native no no . . . 19966 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_SOCS5_JIR _Entity.Sf_category entity _Entity.Sf_framecode SOCS5_JIR _Entity.Entry_ID 19966 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; RSLRQRLQDTVGLCFPMRTY SKQSKPLFSNKRKIHLSELM LEKCPFPAGSDLAQKWHLIK QHTAPVSPHS ; _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 70 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'JAK interaction region in SOCS5' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8116.588 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2N34 . "Nmr Assignments And Solution Structure Of The Jak Interaction Region Of Socs5" . . . . . 100.00 70 100.00 100.00 4.05e-43 . . . . 19966 1 2 no DBJ BAA31646 . "KIAA0671 protein [Homo sapiens]" . . . . . 100.00 536 100.00 100.00 7.91e-40 . . . . 19966 1 3 no DBJ BAF82883 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 536 100.00 100.00 7.91e-40 . . . . 19966 1 4 no DBJ BAG11225 . "suppressor of cytokine signaling 5 [synthetic construct]" . . . . . 100.00 536 100.00 100.00 7.91e-40 . . . . 19966 1 5 no DBJ BAG59372 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 505 100.00 100.00 7.11e-40 . . . . 19966 1 6 no EMBL CAB66830 . "hypothetical protein [Homo sapiens]" . . . . . 100.00 536 100.00 100.00 7.91e-40 . . . . 19966 1 7 no GB AAB96648 . "SOCS-5 [Mus musculus]" . . . . . 100.00 536 100.00 100.00 8.14e-40 . . . . 19966 1 8 no GB AAD40484 . "cytokine-inducible SH2 protein 6 [Homo sapiens]" . . . . . 100.00 536 100.00 100.00 7.91e-40 . . . . 19966 1 9 no GB AAH32862 . "SOCS5 protein [Homo sapiens]" . . . . . 100.00 536 100.00 100.00 7.91e-40 . . . . 19966 1 10 no GB AAH53015 . "Suppressor of cytokine signaling 5 [Mus musculus]" . . . . . 100.00 536 100.00 100.00 7.91e-40 . . . . 19966 1 11 no GB AAI14097 . "Suppressor of cytokine signaling 5 [Bos taurus]" . . . . . 100.00 536 100.00 100.00 8.23e-40 . . . . 19966 1 12 no REF NP_001039647 . "suppressor of cytokine signaling 5 [Bos taurus]" . . . . . 100.00 536 100.00 100.00 8.23e-40 . . . . 19966 1 13 no REF NP_001102744 . "suppressor of cytokine signaling 5 [Rattus norvegicus]" . . . . . 100.00 536 100.00 100.00 7.52e-40 . . . . 19966 1 14 no REF NP_001120786 . "suppressor of cytokine signaling 5 [Gallus gallus]" . . . . . 100.00 536 100.00 100.00 7.23e-40 . . . . 19966 1 15 no REF NP_001156362 . "suppressor of cytokine signaling 5 [Sus scrofa]" . . . . . 100.00 536 98.57 100.00 1.71e-39 . . . . 19966 1 16 no REF NP_001253857 . "suppressor of cytokine signaling 5 [Macaca mulatta]" . . . . . 100.00 536 100.00 100.00 7.91e-40 . . . . 19966 1 17 no SP O54928 . "RecName: Full=Suppressor of cytokine signaling 5; Short=SOCS-5; AltName: Full=Cytokine-inducible SH2-containing protein 5" . . . . . 100.00 536 100.00 100.00 7.91e-40 . . . . 19966 1 18 no SP O75159 . "RecName: Full=Suppressor of cytokine signaling 5; Short=SOCS-5; AltName: Full=Cytokine-inducible SH2 protein 6; Short=CIS-6; Al" . . . . . 100.00 536 100.00 100.00 7.91e-40 . . . . 19966 1 19 no SP Q29RN6 . "RecName: Full=Suppressor of cytokine signaling 5; Short=SOCS-5" . . . . . 100.00 536 100.00 100.00 8.23e-40 . . . . 19966 1 20 no TPG DAA24700 . "TPA: suppressor of cytokine signaling 5 [Bos taurus]" . . . . . 100.00 536 100.00 100.00 8.39e-40 . . . . 19966 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 1 175 ARG . 19966 1 2 176 SER . 19966 1 3 177 LEU . 19966 1 4 178 ARG . 19966 1 5 179 GLN . 19966 1 6 180 ARG . 19966 1 7 181 LEU . 19966 1 8 182 GLN . 19966 1 9 183 ASP . 19966 1 10 184 THR . 19966 1 11 185 VAL . 19966 1 12 186 GLY . 19966 1 13 187 LEU . 19966 1 14 188 CYS . 19966 1 15 189 PHE . 19966 1 16 190 PRO . 19966 1 17 191 MET . 19966 1 18 192 ARG . 19966 1 19 193 THR . 19966 1 20 194 TYR . 19966 1 21 195 SER . 19966 1 22 196 LYS . 19966 1 23 197 GLN . 19966 1 24 198 SER . 19966 1 25 199 LYS . 19966 1 26 200 PRO . 19966 1 27 201 LEU . 19966 1 28 202 PHE . 19966 1 29 203 SER . 19966 1 30 204 ASN . 19966 1 31 205 LYS . 19966 1 32 206 ARG . 19966 1 33 207 LYS . 19966 1 34 208 ILE . 19966 1 35 209 HIS . 19966 1 36 210 LEU . 19966 1 37 211 SER . 19966 1 38 212 GLU . 19966 1 39 213 LEU . 19966 1 40 214 MET . 19966 1 41 215 LEU . 19966 1 42 216 GLU . 19966 1 43 217 LYS . 19966 1 44 218 CYS . 19966 1 45 219 PRO . 19966 1 46 220 PHE . 19966 1 47 221 PRO . 19966 1 48 222 ALA . 19966 1 49 223 GLY . 19966 1 50 224 SER . 19966 1 51 225 ASP . 19966 1 52 226 LEU . 19966 1 53 227 ALA . 19966 1 54 228 GLN . 19966 1 55 229 LYS . 19966 1 56 230 TRP . 19966 1 57 231 HIS . 19966 1 58 232 LEU . 19966 1 59 233 ILE . 19966 1 60 234 LYS . 19966 1 61 235 GLN . 19966 1 62 236 HIS . 19966 1 63 237 THR . 19966 1 64 238 ALA . 19966 1 65 239 PRO . 19966 1 66 240 VAL . 19966 1 67 241 SER . 19966 1 68 242 PRO . 19966 1 69 243 HIS . 19966 1 70 244 SER . 19966 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 . ARG 1 1 19966 1 . SER 2 2 19966 1 . LEU 3 3 19966 1 . ARG 4 4 19966 1 . GLN 5 5 19966 1 . ARG 6 6 19966 1 . LEU 7 7 19966 1 . GLN 8 8 19966 1 . ASP 9 9 19966 1 . THR 10 10 19966 1 . VAL 11 11 19966 1 . GLY 12 12 19966 1 . LEU 13 13 19966 1 . CYS 14 14 19966 1 . PHE 15 15 19966 1 . PRO 16 16 19966 1 . MET 17 17 19966 1 . ARG 18 18 19966 1 . THR 19 19 19966 1 . TYR 20 20 19966 1 . SER 21 21 19966 1 . LYS 22 22 19966 1 . GLN 23 23 19966 1 . SER 24 24 19966 1 . LYS 25 25 19966 1 . PRO 26 26 19966 1 . LEU 27 27 19966 1 . PHE 28 28 19966 1 . SER 29 29 19966 1 . ASN 30 30 19966 1 . LYS 31 31 19966 1 . ARG 32 32 19966 1 . LYS 33 33 19966 1 . ILE 34 34 19966 1 . HIS 35 35 19966 1 . LEU 36 36 19966 1 . SER 37 37 19966 1 . GLU 38 38 19966 1 . LEU 39 39 19966 1 . MET 40 40 19966 1 . LEU 41 41 19966 1 . GLU 42 42 19966 1 . LYS 43 43 19966 1 . CYS 44 44 19966 1 . PRO 45 45 19966 1 . PHE 46 46 19966 1 . PRO 47 47 19966 1 . ALA 48 48 19966 1 . GLY 49 49 19966 1 . SER 50 50 19966 1 . ASP 51 51 19966 1 . LEU 52 52 19966 1 . ALA 53 53 19966 1 . GLN 54 54 19966 1 . LYS 55 55 19966 1 . TRP 56 56 19966 1 . HIS 57 57 19966 1 . LEU 58 58 19966 1 . ILE 59 59 19966 1 . LYS 60 60 19966 1 . GLN 61 61 19966 1 . HIS 62 62 19966 1 . THR 63 63 19966 1 . ALA 64 64 19966 1 . PRO 65 65 19966 1 . VAL 66 66 19966 1 . SER 67 67 19966 1 . PRO 68 68 19966 1 . HIS 69 69 19966 1 . SER 70 70 19966 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 19966 _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 $SOCS5_JIR . 10090 organism . 'Mus musculus' 'house mouse' . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . 19966 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 19966 _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 $SOCS5_JIR . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli Rosettagami . . . . . pGEX2T . . . 19966 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19966 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '94% H2O/6% 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 'SOCS5 JIR' '[U-100% 13C; U-100% 15N]' . . 1 $SOCS5_JIR . . 0.3 . . mM . . . . 19966 1 2 TCEP 'natural abundance' . . . . . . 5 . . mM . . . . 19966 1 3 'Sodium Citrate' 'natural abundance' . . . . . . 20 . . mM . . . . 19966 1 4 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 19966 1 5 D2O '[U-100% 2H]' . . . . . . 6 . . % . . . . 19966 1 6 H2O 'natural abundance' . . . . . . 94 . . % . . . . 19966 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 19966 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.02 . M 19966 1 pH 4.5 . pH 19966 1 pressure 1 . atm 19966 1 temperature 303 . K 19966 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 19966 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 3.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 19966 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19966 1 processing 19966 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 19966 _Software.ID 2 _Software.Name NMRPipe _Software.Version 3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 19966 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19966 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 19966 _Software.ID 3 _Software.Name NMRView _Software.Version v8.2.33 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 19966 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19966 3 'peak picking' 19966 3 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 19966 _Software.ID 4 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 19966 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19966 4 'data analysis' 19966 4 'peak picking' 19966 4 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 19966 _Software.ID 5 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 19966 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 19966 5 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 19966 _Software.ID 6 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 19966 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 19966 6 'peak picking' 19966 6 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 19966 _Software.ID 7 _Software.Name CYANA _Software.Version 3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 19966 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 19966 7 stop_ save_ save_OPALp _Software.Sf_category software _Software.Sf_framecode OPALp _Software.Entry_ID 19966 _Software.ID 8 _Software.Name OPALp _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Luginbuhl, Guntert, Billeter and Wuthrich' . . 19966 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 19966 8 stop_ save_ save_CANDID _Software.Sf_category software _Software.Sf_framecode CANDID _Software.Entry_ID 19966 _Software.ID 9 _Software.Name CANDID _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Herrmann, Guntert and Wuthrich' . . 19966 9 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'NOE assignment' 19966 9 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 19966 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 19966 _NMR_spectrometer.ID 2 _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 19966 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 19966 1 2 spectrometer_2 Bruker Avance . 800 . . . 19966 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 19966 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19966 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19966 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19966 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19966 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19966 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19966 1 7 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19966 1 8 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19966 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19966 1 10 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19966 1 11 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19966 1 12 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19966 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 19966 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 dioxane 'methylene protons' . . . . ppm 0.00 internal indirect 0.251449530 . . . . . . . . . 19966 1 H 1 dioxane 'methylene protons' . . . . ppm 3.75 internal direct 1 . . . . . . . . . 19966 1 N 15 dioxane 'methylene protons' . . . . ppm 0.00 internal indirect 0.101329118 . . . . . . . . . 19966 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 19966 _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 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _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' . . . 19966 1 4 '3D HNCA' . . . 19966 1 6 '3D HNCACB' . . . 19966 1 7 '3D CBCA(CO)NH' . . . 19966 1 8 '3D HBHA(CO)NH' . . . 19966 1 9 '3D 1H-15N NOESY' . . . 19966 1 10 '3D 1H-13C NOESY aliphatic' . . . 19966 1 11 '3D 1H-13C NOESY aromatic' . . . 19966 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 1 1 ARG CA C 13 55.675 0.1 . 1 . . . A 175 ARG CA . 19966 1 2 . 1 1 1 1 ARG CB C 13 31.032 0.1 . 1 . . . A 175 ARG CB . 19966 1 3 . 1 1 2 2 SER HA H 1 4.505 0.01 . 1 . . . A 176 SER HA . 19966 1 4 . 1 1 2 2 SER HB2 H 1 3.871 0.01 . 2 . . . A 176 SER HB2 . 19966 1 5 . 1 1 2 2 SER HB3 H 1 3.871 0.01 . 2 . . . A 176 SER HB3 . 19966 1 6 . 1 1 2 2 SER CA C 13 57.901 0.1 . 1 . . . A 176 SER CA . 19966 1 7 . 1 1 2 2 SER CB C 13 63.955 0.1 . 1 . . . A 176 SER CB . 19966 1 8 . 1 1 3 3 LEU H H 1 8.509 0.01 . 1 . . . A 177 LEU H . 19966 1 9 . 1 1 3 3 LEU HA H 1 4.291 0.01 . 1 . . . A 177 LEU HA . 19966 1 10 . 1 1 3 3 LEU HB2 H 1 1.58 0.01 . 2 . . . A 177 LEU HB2 . 19966 1 11 . 1 1 3 3 LEU HB3 H 1 1.58 0.01 . 2 . . . A 177 LEU HB3 . 19966 1 12 . 1 1 3 3 LEU CA C 13 55.62 0.1 . 1 . . . A 177 LEU CA . 19966 1 13 . 1 1 3 3 LEU CB C 13 42.389 0.1 . 1 . . . A 177 LEU CB . 19966 1 14 . 1 1 3 3 LEU N N 15 124.292 0.1 . 1 . . . A 177 LEU N . 19966 1 15 . 1 1 4 4 ARG H H 1 8.245 0.01 . 1 . . . A 178 ARG H . 19966 1 16 . 1 1 4 4 ARG HA H 1 4.219 0.01 . 1 . . . A 178 ARG HA . 19966 1 17 . 1 1 4 4 ARG HB2 H 1 1.718 0.01 . 2 . . . A 178 ARG HB2 . 19966 1 18 . 1 1 4 4 ARG HB3 H 1 1.78 0.01 . 2 . . . A 178 ARG HB3 . 19966 1 19 . 1 1 4 4 ARG HG2 H 1 1.545 0.01 . 2 . . . A 178 ARG HG2 . 19966 1 20 . 1 1 4 4 ARG HG3 H 1 1.545 0.01 . 2 . . . A 178 ARG HG3 . 19966 1 21 . 1 1 4 4 ARG CA C 13 56.755 0.1 . 1 . . . A 178 ARG CA . 19966 1 22 . 1 1 4 4 ARG CB C 13 30.701 0.1 . 1 . . . A 178 ARG CB . 19966 1 23 . 1 1 4 4 ARG CG C 13 27.16 0.1 . 1 . . . A 178 ARG CG . 19966 1 24 . 1 1 4 4 ARG N N 15 120.24 0.1 . 1 . . . A 178 ARG N . 19966 1 25 . 1 1 5 5 GLN H H 1 8.194 0.01 . 1 . . . A 179 GLN H . 19966 1 26 . 1 1 5 5 GLN HA H 1 4.29 0.01 . 1 . . . A 179 GLN HA . 19966 1 27 . 1 1 5 5 GLN HB2 H 1 1.976 0.01 . 2 . . . A 179 GLN HB2 . 19966 1 28 . 1 1 5 5 GLN HB3 H 1 1.976 0.01 . 2 . . . A 179 GLN HB3 . 19966 1 29 . 1 1 5 5 GLN HG2 H 1 2.31 0.01 . 2 . . . A 179 GLN HG2 . 19966 1 30 . 1 1 5 5 GLN HG3 H 1 2.31 0.01 . 2 . . . A 179 GLN HG3 . 19966 1 31 . 1 1 5 5 GLN CA C 13 56.618 0.1 . 1 . . . A 179 GLN CA . 19966 1 32 . 1 1 5 5 GLN CB C 13 29.428 0.1 . 1 . . . A 179 GLN CB . 19966 1 33 . 1 1 5 5 GLN CG C 13 33.747 0.1 . 1 . . . A 179 GLN CG . 19966 1 34 . 1 1 5 5 GLN N N 15 120.577 0.1 . 1 . . . A 179 GLN N . 19966 1 35 . 1 1 6 6 ARG H H 1 8.347 0.01 . 1 . . . A 180 ARG H . 19966 1 36 . 1 1 6 6 ARG HA H 1 4.242 0.01 . 1 . . . A 180 ARG HA . 19966 1 37 . 1 1 6 6 ARG HB2 H 1 1.724 0.01 . 2 . . . A 180 ARG HB2 . 19966 1 38 . 1 1 6 6 ARG HB3 H 1 1.803 0.01 . 2 . . . A 180 ARG HB3 . 19966 1 39 . 1 1 6 6 ARG HG2 H 1 1.563 0.01 . 2 . . . A 180 ARG HG2 . 19966 1 40 . 1 1 6 6 ARG HG3 H 1 1.6 0.01 . 2 . . . A 180 ARG HG3 . 19966 1 41 . 1 1 6 6 ARG HD2 H 1 3.147 0.01 . 2 . . . A 180 ARG HD2 . 19966 1 42 . 1 1 6 6 ARG HD3 H 1 3.113 0.01 . 2 . . . A 180 ARG HD3 . 19966 1 43 . 1 1 6 6 ARG CA C 13 56.372 0.1 . 1 . . . A 180 ARG CA . 19966 1 44 . 1 1 6 6 ARG CB C 13 30.83 0.1 . 1 . . . A 180 ARG CB . 19966 1 45 . 1 1 6 6 ARG CG C 13 26.983 0.1 . 1 . . . A 180 ARG CG . 19966 1 46 . 1 1 6 6 ARG CD C 13 43.37 0.1 . 1 . . . A 180 ARG CD . 19966 1 47 . 1 1 6 6 ARG N N 15 121.596 0.1 . 1 . . . A 180 ARG N . 19966 1 48 . 1 1 7 7 LEU H H 1 8.272 0.01 . 1 . . . A 181 LEU H . 19966 1 49 . 1 1 7 7 LEU HA H 1 4.246 0.01 . 1 . . . A 181 LEU HA . 19966 1 50 . 1 1 7 7 LEU HB2 H 1 1.626 0.01 . 2 . . . A 181 LEU HB2 . 19966 1 51 . 1 1 7 7 LEU HB3 H 1 1.53 0.01 . 2 . . . A 181 LEU HB3 . 19966 1 52 . 1 1 7 7 LEU HG H 1 1.602 0.01 . 1 . . . A 181 LEU HG . 19966 1 53 . 1 1 7 7 LEU HD11 H 1 0.828 0.01 . 1 . . . A 181 LEU HD11 . 19966 1 54 . 1 1 7 7 LEU HD12 H 1 0.828 0.01 . 1 . . . A 181 LEU HD12 . 19966 1 55 . 1 1 7 7 LEU HD13 H 1 0.828 0.01 . 1 . . . A 181 LEU HD13 . 19966 1 56 . 1 1 7 7 LEU HD21 H 1 0.898 0.01 . 1 . . . A 181 LEU HD21 . 19966 1 57 . 1 1 7 7 LEU HD22 H 1 0.898 0.01 . 1 . . . A 181 LEU HD22 . 19966 1 58 . 1 1 7 7 LEU HD23 H 1 0.898 0.01 . 1 . . . A 181 LEU HD23 . 19966 1 59 . 1 1 7 7 LEU CA C 13 55.758 0.1 . 1 . . . A 181 LEU CA . 19966 1 60 . 1 1 7 7 LEU CB C 13 42.261 0.1 . 1 . . . A 181 LEU CB . 19966 1 61 . 1 1 7 7 LEU CG C 13 27 0.1 . 1 . . . A 181 LEU CG . 19966 1 62 . 1 1 7 7 LEU CD1 C 13 23.52 0.1 . 2 . . . A 181 LEU CD1 . 19966 1 63 . 1 1 7 7 LEU CD2 C 13 25.023 0.1 . 2 . . . A 181 LEU CD2 . 19966 1 64 . 1 1 7 7 LEU N N 15 122.669 0.1 . 1 . . . A 181 LEU N . 19966 1 65 . 1 1 8 8 GLN H H 1 8.279 0.01 . 1 . . . A 182 GLN H . 19966 1 66 . 1 1 8 8 GLN HA H 1 4.242 0.01 . 1 . . . A 182 GLN HA . 19966 1 67 . 1 1 8 8 GLN HB2 H 1 2.02 0.01 . 2 . . . A 182 GLN HB2 . 19966 1 68 . 1 1 8 8 GLN HB3 H 1 2.02 0.01 . 2 . . . A 182 GLN HB3 . 19966 1 69 . 1 1 8 8 GLN HG2 H 1 2.31 0.01 . 2 . . . A 182 GLN HG2 . 19966 1 70 . 1 1 8 8 GLN HG3 H 1 2.31 0.01 . 2 . . . A 182 GLN HG3 . 19966 1 71 . 1 1 8 8 GLN CA C 13 56.452 0.1 . 1 . . . A 182 GLN CA . 19966 1 72 . 1 1 8 8 GLN CB C 13 29.838 0.1 . 1 . . . A 182 GLN CB . 19966 1 73 . 1 1 8 8 GLN CG C 13 33.8 0.1 . 1 . . . A 182 GLN CG . 19966 1 74 . 1 1 8 8 GLN N N 15 119.205 0.1 . 1 . . . A 182 GLN N . 19966 1 75 . 1 1 9 9 ASP H H 1 8.182 0.01 . 1 . . . A 183 ASP H . 19966 1 76 . 1 1 9 9 ASP HA H 1 4.621 0.01 . 1 . . . A 183 ASP HA . 19966 1 77 . 1 1 9 9 ASP HB2 H 1 2.716 0.01 . 2 . . . A 183 ASP HB2 . 19966 1 78 . 1 1 9 9 ASP HB3 H 1 2.664 0.01 . 2 . . . A 183 ASP HB3 . 19966 1 79 . 1 1 9 9 ASP CA C 13 54.458 0.1 . 1 . . . A 183 ASP CA . 19966 1 80 . 1 1 9 9 ASP CB C 13 40.744 0.1 . 1 . . . A 183 ASP CB . 19966 1 81 . 1 1 9 9 ASP N N 15 120.061 0.1 . 1 . . . A 183 ASP N . 19966 1 82 . 1 1 10 10 THR H H 1 7.98 0.01 . 1 . . . A 184 THR H . 19966 1 83 . 1 1 10 10 THR HA H 1 4.288 0.01 . 1 . . . A 184 THR HA . 19966 1 84 . 1 1 10 10 THR HB H 1 4.215 0.01 . 1 . . . A 184 THR HB . 19966 1 85 . 1 1 10 10 THR HG21 H 1 1.146 0.01 . 1 . . . A 184 THR HG21 . 19966 1 86 . 1 1 10 10 THR HG22 H 1 1.146 0.01 . 1 . . . A 184 THR HG22 . 19966 1 87 . 1 1 10 10 THR HG23 H 1 1.146 0.01 . 1 . . . A 184 THR HG23 . 19966 1 88 . 1 1 10 10 THR CA C 13 61.912 0.1 . 1 . . . A 184 THR CA . 19966 1 89 . 1 1 10 10 THR CB C 13 69.739 0.1 . 1 . . . A 184 THR CB . 19966 1 90 . 1 1 10 10 THR CG2 C 13 21.295 0.1 . 1 . . . A 184 THR CG2 . 19966 1 91 . 1 1 10 10 THR N N 15 112.892 0.1 . 1 . . . A 184 THR N . 19966 1 92 . 1 1 11 11 VAL H H 1 7.98 0.01 . 1 . . . A 185 VAL H . 19966 1 93 . 1 1 11 11 VAL HA H 1 4.041 0.01 . 1 . . . A 185 VAL HA . 19966 1 94 . 1 1 11 11 VAL HB H 1 2.06 0.01 . 1 . . . A 185 VAL HB . 19966 1 95 . 1 1 11 11 VAL HG11 H 1 0.923 0.01 . 1 . . . A 185 VAL HG11 . 19966 1 96 . 1 1 11 11 VAL HG12 H 1 0.923 0.01 . 1 . . . A 185 VAL HG12 . 19966 1 97 . 1 1 11 11 VAL HG13 H 1 0.923 0.01 . 1 . . . A 185 VAL HG13 . 19966 1 98 . 1 1 11 11 VAL HG21 H 1 0.923 0.01 . 1 . . . A 185 VAL HG21 . 19966 1 99 . 1 1 11 11 VAL HG22 H 1 0.923 0.01 . 1 . . . A 185 VAL HG22 . 19966 1 100 . 1 1 11 11 VAL HG23 H 1 0.923 0.01 . 1 . . . A 185 VAL HG23 . 19966 1 101 . 1 1 11 11 VAL CA C 13 62.89 0.1 . 1 . . . A 185 VAL CA . 19966 1 102 . 1 1 11 11 VAL CB C 13 32.642 0.1 . 1 . . . A 185 VAL CB . 19966 1 103 . 1 1 11 11 VAL CG1 C 13 20.837 0.1 . 1 . . . A 185 VAL CG1 . 19966 1 104 . 1 1 11 11 VAL CG2 C 13 20.837 0.1 . 1 . . . A 185 VAL CG2 . 19966 1 105 . 1 1 11 11 VAL N N 15 121.435 0.1 . 1 . . . A 185 VAL N . 19966 1 106 . 1 1 12 12 GLY H H 1 8.326 0.01 . 1 . . . A 186 GLY H . 19966 1 107 . 1 1 12 12 GLY HA2 H 1 3.876 0.01 . 2 . . . A 186 GLY HA2 . 19966 1 108 . 1 1 12 12 GLY HA3 H 1 3.908 0.01 . 2 . . . A 186 GLY HA3 . 19966 1 109 . 1 1 12 12 GLY CA C 13 45.424 0.1 . 1 . . . A 186 GLY CA . 19966 1 110 . 1 1 12 12 GLY N N 15 110.923 0.1 . 1 . . . A 186 GLY N . 19966 1 111 . 1 1 13 13 LEU H H 1 7.899 0.01 . 1 . . . A 187 LEU H . 19966 1 112 . 1 1 13 13 LEU HA H 1 4.261 0.01 . 1 . . . A 187 LEU HA . 19966 1 113 . 1 1 13 13 LEU HB2 H 1 1.509 0.01 . 2 . . . A 187 LEU HB2 . 19966 1 114 . 1 1 13 13 LEU HB3 H 1 1.454 0.01 . 2 . . . A 187 LEU HB3 . 19966 1 115 . 1 1 13 13 LEU HG H 1 1.519 0.01 . 1 . . . A 187 LEU HG . 19966 1 116 . 1 1 13 13 LEU HD11 H 1 0.814 0.01 . 1 . . . A 187 LEU HD11 . 19966 1 117 . 1 1 13 13 LEU HD12 H 1 0.814 0.01 . 1 . . . A 187 LEU HD12 . 19966 1 118 . 1 1 13 13 LEU HD13 H 1 0.814 0.01 . 1 . . . A 187 LEU HD13 . 19966 1 119 . 1 1 13 13 LEU HD21 H 1 0.819 0.01 . 1 . . . A 187 LEU HD21 . 19966 1 120 . 1 1 13 13 LEU HD22 H 1 0.819 0.01 . 1 . . . A 187 LEU HD22 . 19966 1 121 . 1 1 13 13 LEU HD23 H 1 0.819 0.01 . 1 . . . A 187 LEU HD23 . 19966 1 122 . 1 1 13 13 LEU CA C 13 55.351 0.1 . 1 . . . A 187 LEU CA . 19966 1 123 . 1 1 13 13 LEU CB C 13 42.624 0.1 . 1 . . . A 187 LEU CB . 19966 1 124 . 1 1 13 13 LEU CG C 13 26.975 0.1 . 1 . . . A 187 LEU CG . 19966 1 125 . 1 1 13 13 LEU CD1 C 13 23.511 0.1 . 2 . . . A 187 LEU CD1 . 19966 1 126 . 1 1 13 13 LEU CD2 C 13 24.829 0.1 . 2 . . . A 187 LEU CD2 . 19966 1 127 . 1 1 13 13 LEU N N 15 120.586 0.1 . 1 . . . A 187 LEU N . 19966 1 128 . 1 1 14 14 CYS H H 1 8.089 0.01 . 1 . . . A 188 CYS H . 19966 1 129 . 1 1 14 14 CYS HA H 1 4.374 0.01 . 1 . . . A 188 CYS HA . 19966 1 130 . 1 1 14 14 CYS HB2 H 1 2.743 0.01 . 2 . . . A 188 CYS HB2 . 19966 1 131 . 1 1 14 14 CYS HB3 H 1 2.743 0.01 . 2 . . . A 188 CYS HB3 . 19966 1 132 . 1 1 14 14 CYS CA C 13 57.984 0.1 . 1 . . . A 188 CYS CA . 19966 1 133 . 1 1 14 14 CYS CB C 13 28.232 0.1 . 1 . . . A 188 CYS CB . 19966 1 134 . 1 1 14 14 CYS N N 15 118.574 0.1 . 1 . . . A 188 CYS N . 19966 1 135 . 1 1 15 15 PHE H H 1 8.158 0.01 . 1 . . . A 189 PHE H . 19966 1 136 . 1 1 15 15 PHE HA H 1 4.241 0.01 . 1 . . . A 189 PHE HA . 19966 1 137 . 1 1 15 15 PHE HB2 H 1 3.106 0.01 . 2 . . . A 189 PHE HB2 . 19966 1 138 . 1 1 15 15 PHE HB3 H 1 3.106 0.01 . 2 . . . A 189 PHE HB3 . 19966 1 139 . 1 1 15 15 PHE HD1 H 1 7.239 0.01 . 3 . . . A 189 PHE HD1 . 19966 1 140 . 1 1 15 15 PHE HD2 H 1 7.239 0.01 . 3 . . . A 189 PHE HD2 . 19966 1 141 . 1 1 15 15 PHE CA C 13 55.932 0.1 . 1 . . . A 189 PHE CA . 19966 1 142 . 1 1 15 15 PHE CB C 13 43.424 0.1 . 1 . . . A 189 PHE CB . 19966 1 143 . 1 1 15 15 PHE CD1 C 13 129.822 0.1 . 1 . . . A 189 PHE CD1 . 19966 1 144 . 1 1 15 15 PHE CD2 C 13 129.822 0.1 . 1 . . . A 189 PHE CD2 . 19966 1 145 . 1 1 15 15 PHE N N 15 122.189 0.1 . 1 . . . A 189 PHE N . 19966 1 146 . 1 1 16 16 PRO HA H 1 4.386 0.01 . 1 . . . A 190 PRO HA . 19966 1 147 . 1 1 16 16 PRO HB2 H 1 2.226 0.01 . 2 . . . A 190 PRO HB2 . 19966 1 148 . 1 1 16 16 PRO HB3 H 1 2.226 0.01 . 2 . . . A 190 PRO HB3 . 19966 1 149 . 1 1 16 16 PRO HG2 H 1 1.953 0.01 . 2 . . . A 190 PRO HG2 . 19966 1 150 . 1 1 16 16 PRO HG3 H 1 1.953 0.01 . 2 . . . A 190 PRO HG3 . 19966 1 151 . 1 1 16 16 PRO HD2 H 1 3.719 0.01 . 2 . . . A 190 PRO HD2 . 19966 1 152 . 1 1 16 16 PRO HD3 H 1 3.537 0.01 . 2 . . . A 190 PRO HD3 . 19966 1 153 . 1 1 16 16 PRO CA C 13 63.412 0.1 . 1 . . . A 190 PRO CA . 19966 1 154 . 1 1 16 16 PRO CB C 13 32.117 0.1 . 1 . . . A 190 PRO CB . 19966 1 155 . 1 1 16 16 PRO CG C 13 27.281 0.1 . 1 . . . A 190 PRO CG . 19966 1 156 . 1 1 16 16 PRO CD C 13 50.428 0.1 . 1 . . . A 190 PRO CD . 19966 1 157 . 1 1 17 17 MET H H 1 8.289 0.01 . 1 . . . A 191 MET H . 19966 1 158 . 1 1 17 17 MET HA H 1 4.406 0.01 . 1 . . . A 191 MET HA . 19966 1 159 . 1 1 17 17 MET HB2 H 1 1.993 0.01 . 2 . . . A 191 MET HB2 . 19966 1 160 . 1 1 17 17 MET HB3 H 1 1.993 0.01 . 2 . . . A 191 MET HB3 . 19966 1 161 . 1 1 17 17 MET HG2 H 1 2.53 0.01 . 2 . . . A 191 MET HG2 . 19966 1 162 . 1 1 17 17 MET HG3 H 1 2.53 0.01 . 2 . . . A 191 MET HG3 . 19966 1 163 . 1 1 17 17 MET CA C 13 55.65 0.1 . 1 . . . A 191 MET CA . 19966 1 164 . 1 1 17 17 MET CB C 13 32.68 0.1 . 1 . . . A 191 MET CB . 19966 1 165 . 1 1 17 17 MET CG C 13 32.243 0.1 . 1 . . . A 191 MET CG . 19966 1 166 . 1 1 17 17 MET N N 15 119.453 0.1 . 1 . . . A 191 MET N . 19966 1 167 . 1 1 18 18 ARG H H 1 8.24 0.01 . 1 . . . A 192 ARG H . 19966 1 168 . 1 1 18 18 ARG HA H 1 4.261 0.01 . 1 . . . A 192 ARG HA . 19966 1 169 . 1 1 18 18 ARG HB2 H 1 1.713 0.01 . 2 . . . A 192 ARG HB2 . 19966 1 170 . 1 1 18 18 ARG HB3 H 1 1.784 0.01 . 2 . . . A 192 ARG HB3 . 19966 1 171 . 1 1 18 18 ARG HG2 H 1 1.549 0.01 . 2 . . . A 192 ARG HG2 . 19966 1 172 . 1 1 18 18 ARG HG3 H 1 1.549 0.01 . 2 . . . A 192 ARG HG3 . 19966 1 173 . 1 1 18 18 ARG HD2 H 1 3.109 0.01 . 2 . . . A 192 ARG HD2 . 19966 1 174 . 1 1 18 18 ARG HD3 H 1 3.109 0.01 . 2 . . . A 192 ARG HD3 . 19966 1 175 . 1 1 18 18 ARG CA C 13 56.353 0.1 . 1 . . . A 192 ARG CA . 19966 1 176 . 1 1 18 18 ARG CB C 13 30.961 0.1 . 1 . . . A 192 ARG CB . 19966 1 177 . 1 1 18 18 ARG CG C 13 27.02 0.1 . 1 . . . A 192 ARG CG . 19966 1 178 . 1 1 18 18 ARG CD C 13 43.01 0.1 . 1 . . . A 192 ARG CD . 19966 1 179 . 1 1 18 18 ARG N N 15 121.389 0.1 . 1 . . . A 192 ARG N . 19966 1 180 . 1 1 19 19 THR H H 1 7.986 0.01 . 1 . . . A 193 THR H . 19966 1 181 . 1 1 19 19 THR HA H 1 4.256 0.01 . 1 . . . A 193 THR HA . 19966 1 182 . 1 1 19 19 THR HB H 1 4.072 0.01 . 1 . . . A 193 THR HB . 19966 1 183 . 1 1 19 19 THR HG21 H 1 1.083 0.01 . 1 . . . A 193 THR HG21 . 19966 1 184 . 1 1 19 19 THR HG22 H 1 1.083 0.01 . 1 . . . A 193 THR HG22 . 19966 1 185 . 1 1 19 19 THR HG23 H 1 1.083 0.01 . 1 . . . A 193 THR HG23 . 19966 1 186 . 1 1 19 19 THR CA C 13 61.472 0.1 . 1 . . . A 193 THR CA . 19966 1 187 . 1 1 19 19 THR CB C 13 69.863 0.1 . 1 . . . A 193 THR CB . 19966 1 188 . 1 1 19 19 THR CG2 C 13 21.593 0.1 . 1 . . . A 193 THR CG2 . 19966 1 189 . 1 1 19 19 THR N N 15 114.176 0.1 . 1 . . . A 193 THR N . 19966 1 190 . 1 1 20 20 TYR H H 1 8.156 0.01 . 1 . . . A 194 TYR H . 19966 1 191 . 1 1 20 20 TYR HA H 1 4.571 0.01 . 1 . . . A 194 TYR HA . 19966 1 192 . 1 1 20 20 TYR HB2 H 1 3.027 0.01 . 2 . . . A 194 TYR HB2 . 19966 1 193 . 1 1 20 20 TYR HB3 H 1 2.875 0.01 . 2 . . . A 194 TYR HB3 . 19966 1 194 . 1 1 20 20 TYR HD1 H 1 7.07 0.01 . 3 . . . A 194 TYR HD1 . 19966 1 195 . 1 1 20 20 TYR HD2 H 1 7.07 0.01 . 3 . . . A 194 TYR HD2 . 19966 1 196 . 1 1 20 20 TYR HE1 H 1 6.759 0.01 . 3 . . . A 194 TYR HE1 . 19966 1 197 . 1 1 20 20 TYR HE2 H 1 6.759 0.01 . 3 . . . A 194 TYR HE2 . 19966 1 198 . 1 1 20 20 TYR CA C 13 57.694 0.1 . 1 . . . A 194 TYR CA . 19966 1 199 . 1 1 20 20 TYR CB C 13 39.137 0.1 . 1 . . . A 194 TYR CB . 19966 1 200 . 1 1 20 20 TYR CD1 C 13 133.354 0.1 . 1 . . . A 194 TYR CD1 . 19966 1 201 . 1 1 20 20 TYR CD2 C 13 133.354 0.1 . 1 . . . A 194 TYR CD2 . 19966 1 202 . 1 1 20 20 TYR CE1 C 13 118.298 0.1 . 1 . . . A 194 TYR CE1 . 19966 1 203 . 1 1 20 20 TYR CE2 C 13 118.298 0.1 . 1 . . . A 194 TYR CE2 . 19966 1 204 . 1 1 20 20 TYR N N 15 121.471 0.1 . 1 . . . A 194 TYR N . 19966 1 205 . 1 1 21 21 SER H H 1 8.122 0.01 . 1 . . . A 195 SER H . 19966 1 206 . 1 1 21 21 SER HA H 1 4.37 0.01 . 1 . . . A 195 SER HA . 19966 1 207 . 1 1 21 21 SER HB2 H 1 3.726 0.01 . 2 . . . A 195 SER HB2 . 19966 1 208 . 1 1 21 21 SER HB3 H 1 3.726 0.01 . 2 . . . A 195 SER HB3 . 19966 1 209 . 1 1 21 21 SER CA C 13 58.098 0.1 . 1 . . . A 195 SER CA . 19966 1 210 . 1 1 21 21 SER CB C 13 63.873 0.1 . 1 . . . A 195 SER CB . 19966 1 211 . 1 1 21 21 SER N N 15 116.763 0.1 . 1 . . . A 195 SER N . 19966 1 212 . 1 1 22 22 LYS H H 1 8.271 0.01 . 1 . . . A 196 LYS H . 19966 1 213 . 1 1 22 22 LYS HA H 1 4.24 0.01 . 1 . . . A 196 LYS HA . 19966 1 214 . 1 1 22 22 LYS HB2 H 1 1.801 0.01 . 2 . . . A 196 LYS HB2 . 19966 1 215 . 1 1 22 22 LYS HB3 H 1 1.697 0.01 . 2 . . . A 196 LYS HB3 . 19966 1 216 . 1 1 22 22 LYS HG2 H 1 1.587 0.01 . 2 . . . A 196 LYS HG2 . 19966 1 217 . 1 1 22 22 LYS HG3 H 1 1.587 0.01 . 2 . . . A 196 LYS HG3 . 19966 1 218 . 1 1 22 22 LYS CA C 13 56.804 0.1 . 1 . . . A 196 LYS CA . 19966 1 219 . 1 1 22 22 LYS CB C 13 33.055 0.1 . 1 . . . A 196 LYS CB . 19966 1 220 . 1 1 22 22 LYS CG C 13 27 0.1 . 1 . . . A 196 LYS CG . 19966 1 221 . 1 1 22 22 LYS N N 15 122.606 0.1 . 1 . . . A 196 LYS N . 19966 1 222 . 1 1 23 23 GLN H H 1 8.242 0.01 . 1 . . . A 197 GLN H . 19966 1 223 . 1 1 23 23 GLN HA H 1 4.315 0.01 . 1 . . . A 197 GLN HA . 19966 1 224 . 1 1 23 23 GLN HB2 H 1 1.914 0.01 . 2 . . . A 197 GLN HB2 . 19966 1 225 . 1 1 23 23 GLN HB3 H 1 2.055 0.01 . 2 . . . A 197 GLN HB3 . 19966 1 226 . 1 1 23 23 GLN HG2 H 1 2.31 0.01 . 2 . . . A 197 GLN HG2 . 19966 1 227 . 1 1 23 23 GLN HG3 H 1 2.31 0.01 . 2 . . . A 197 GLN HG3 . 19966 1 228 . 1 1 23 23 GLN CA C 13 55.905 0.1 . 1 . . . A 197 GLN CA . 19966 1 229 . 1 1 23 23 GLN CB C 13 29.625 0.1 . 1 . . . A 197 GLN CB . 19966 1 230 . 1 1 23 23 GLN CG C 13 33.8 0.1 . 1 . . . A 197 GLN CG . 19966 1 231 . 1 1 23 23 GLN N N 15 120.211 0.1 . 1 . . . A 197 GLN N . 19966 1 232 . 1 1 24 24 SER H H 1 8.231 0.01 . 1 . . . A 198 SER H . 19966 1 233 . 1 1 24 24 SER HA H 1 4.378 0.01 . 1 . . . A 198 SER HA . 19966 1 234 . 1 1 24 24 SER HB2 H 1 3.797 0.01 . 2 . . . A 198 SER HB2 . 19966 1 235 . 1 1 24 24 SER HB3 H 1 3.797 0.01 . 2 . . . A 198 SER HB3 . 19966 1 236 . 1 1 24 24 SER CA C 13 58.228 0.1 . 1 . . . A 198 SER CA . 19966 1 237 . 1 1 24 24 SER CB C 13 63.859 0.1 . 1 . . . A 198 SER CB . 19966 1 238 . 1 1 24 24 SER N N 15 116.874 0.1 . 1 . . . A 198 SER N . 19966 1 239 . 1 1 25 25 LYS H H 1 8.165 0.01 . 1 . . . A 199 LYS H . 19966 1 240 . 1 1 25 25 LYS HA H 1 4.555 0.01 . 1 . . . A 199 LYS HA . 19966 1 241 . 1 1 25 25 LYS HB2 H 1 1.678 0.01 . 2 . . . A 199 LYS HB2 . 19966 1 242 . 1 1 25 25 LYS HB3 H 1 1.77 0.01 . 2 . . . A 199 LYS HB3 . 19966 1 243 . 1 1 25 25 LYS HG2 H 1 1.411 0.01 . 2 . . . A 199 LYS HG2 . 19966 1 244 . 1 1 25 25 LYS HG3 H 1 1.381 0.01 . 2 . . . A 199 LYS HG3 . 19966 1 245 . 1 1 25 25 LYS CA C 13 54.311 0.1 . 1 . . . A 199 LYS CA . 19966 1 246 . 1 1 25 25 LYS CB C 13 32.707 0.1 . 1 . . . A 199 LYS CB . 19966 1 247 . 1 1 25 25 LYS CG C 13 24.429 0.1 . 1 . . . A 199 LYS CG . 19966 1 248 . 1 1 25 25 LYS N N 15 123.213 0.1 . 1 . . . A 199 LYS N . 19966 1 249 . 1 1 26 26 PRO HA H 1 4.302 0.01 . 1 . . . A 200 PRO HA . 19966 1 250 . 1 1 26 26 PRO HB2 H 1 2.153 0.01 . 2 . . . A 200 PRO HB2 . 19966 1 251 . 1 1 26 26 PRO HB3 H 1 1.686 0.01 . 2 . . . A 200 PRO HB3 . 19966 1 252 . 1 1 26 26 PRO HG2 H 1 1.935 0.01 . 2 . . . A 200 PRO HG2 . 19966 1 253 . 1 1 26 26 PRO HG3 H 1 1.935 0.01 . 2 . . . A 200 PRO HG3 . 19966 1 254 . 1 1 26 26 PRO HD2 H 1 3.555 0.01 . 2 . . . A 200 PRO HD2 . 19966 1 255 . 1 1 26 26 PRO HD3 H 1 3.733 0.01 . 2 . . . A 200 PRO HD3 . 19966 1 256 . 1 1 26 26 PRO CA C 13 62.922 0.1 . 1 . . . A 200 PRO CA . 19966 1 257 . 1 1 26 26 PRO CB C 13 32.036 0.1 . 1 . . . A 200 PRO CB . 19966 1 258 . 1 1 26 26 PRO CG C 13 27.252 0.1 . 1 . . . A 200 PRO CG . 19966 1 259 . 1 1 26 26 PRO CD C 13 50.535 0.1 . 1 . . . A 200 PRO CD . 19966 1 260 . 1 1 27 27 LEU H H 1 8.155 0.01 . 1 . . . A 201 LEU H . 19966 1 261 . 1 1 27 27 LEU HA H 1 4.194 0.01 . 1 . . . A 201 LEU HA . 19966 1 262 . 1 1 27 27 LEU HB2 H 1 1.359 0.01 . 2 . . . A 201 LEU HB2 . 19966 1 263 . 1 1 27 27 LEU HB3 H 1 1.481 0.01 . 2 . . . A 201 LEU HB3 . 19966 1 264 . 1 1 27 27 LEU HG H 1 1.494 0.01 . 1 . . . A 201 LEU HG . 19966 1 265 . 1 1 27 27 LEU HD11 H 1 0.781 0.01 . 1 . . . A 201 LEU HD11 . 19966 1 266 . 1 1 27 27 LEU HD12 H 1 0.781 0.01 . 1 . . . A 201 LEU HD12 . 19966 1 267 . 1 1 27 27 LEU HD13 H 1 0.781 0.01 . 1 . . . A 201 LEU HD13 . 19966 1 268 . 1 1 27 27 LEU HD21 H 1 0.781 0.01 . 1 . . . A 201 LEU HD21 . 19966 1 269 . 1 1 27 27 LEU HD22 H 1 0.781 0.01 . 1 . . . A 201 LEU HD22 . 19966 1 270 . 1 1 27 27 LEU HD23 H 1 0.781 0.01 . 1 . . . A 201 LEU HD23 . 19966 1 271 . 1 1 27 27 LEU CA C 13 55.166 0.1 . 1 . . . A 201 LEU CA . 19966 1 272 . 1 1 27 27 LEU CB C 13 42.593 0.1 . 1 . . . A 201 LEU CB . 19966 1 273 . 1 1 27 27 LEU CG C 13 27 0.1 . 1 . . . A 201 LEU CG . 19966 1 274 . 1 1 27 27 LEU CD1 C 13 23.784 0.1 . 1 . . . A 201 LEU CD1 . 19966 1 275 . 1 1 27 27 LEU CD2 C 13 23.784 0.1 . 1 . . . A 201 LEU CD2 . 19966 1 276 . 1 1 27 27 LEU N N 15 121.543 0.1 . 1 . . . A 201 LEU N . 19966 1 277 . 1 1 28 28 PHE H H 1 8.067 0.01 . 1 . . . A 202 PHE H . 19966 1 278 . 1 1 28 28 PHE HA H 1 4.618 0.01 . 1 . . . A 202 PHE HA . 19966 1 279 . 1 1 28 28 PHE HB2 H 1 2.966 0.01 . 2 . . . A 202 PHE HB2 . 19966 1 280 . 1 1 28 28 PHE HB3 H 1 3.102 0.01 . 2 . . . A 202 PHE HB3 . 19966 1 281 . 1 1 28 28 PHE HD1 H 1 7.204 0.01 . 3 . . . A 202 PHE HD1 . 19966 1 282 . 1 1 28 28 PHE HD2 H 1 7.204 0.01 . 3 . . . A 202 PHE HD2 . 19966 1 283 . 1 1 28 28 PHE CA C 13 57.263 0.1 . 1 . . . A 202 PHE CA . 19966 1 284 . 1 1 28 28 PHE CB C 13 39.654 0.1 . 1 . . . A 202 PHE CB . 19966 1 285 . 1 1 28 28 PHE CD1 C 13 131.695 0.1 . 1 . . . A 202 PHE CD1 . 19966 1 286 . 1 1 28 28 PHE CD2 C 13 131.695 0.1 . 1 . . . A 202 PHE CD2 . 19966 1 287 . 1 1 28 28 PHE N N 15 119.25 0.1 . 1 . . . A 202 PHE N . 19966 1 288 . 1 1 29 29 SER H H 1 8.124 0.01 . 1 . . . A 203 SER H . 19966 1 289 . 1 1 29 29 SER HA H 1 4.373 0.01 . 1 . . . A 203 SER HA . 19966 1 290 . 1 1 29 29 SER HB2 H 1 3.719 0.01 . 2 . . . A 203 SER HB2 . 19966 1 291 . 1 1 29 29 SER HB3 H 1 3.801 0.01 . 2 . . . A 203 SER HB3 . 19966 1 292 . 1 1 29 29 SER CA C 13 58.103 0.1 . 1 . . . A 203 SER CA . 19966 1 293 . 1 1 29 29 SER CB C 13 63.765 0.1 . 1 . . . A 203 SER CB . 19966 1 294 . 1 1 29 29 SER N N 15 116.041 0.1 . 1 . . . A 203 SER N . 19966 1 295 . 1 1 30 30 ASN H H 1 8.367 0.01 . 1 . . . A 204 ASN H . 19966 1 296 . 1 1 30 30 ASN HA H 1 4.628 0.01 . 1 . . . A 204 ASN HA . 19966 1 297 . 1 1 30 30 ASN HB2 H 1 2.794 0.01 . 2 . . . A 204 ASN HB2 . 19966 1 298 . 1 1 30 30 ASN HB3 H 1 2.753 0.01 . 2 . . . A 204 ASN HB3 . 19966 1 299 . 1 1 30 30 ASN CA C 13 53.271 0.1 . 1 . . . A 204 ASN CA . 19966 1 300 . 1 1 30 30 ASN CB C 13 38.788 0.1 . 1 . . . A 204 ASN CB . 19966 1 301 . 1 1 30 30 ASN N N 15 120.48 0.1 . 1 . . . A 204 ASN N . 19966 1 302 . 1 1 31 31 LYS H H 1 8.124 0.01 . 1 . . . A 205 LYS H . 19966 1 303 . 1 1 31 31 LYS HA H 1 4.222 0.01 . 1 . . . A 205 LYS HA . 19966 1 304 . 1 1 31 31 LYS HB2 H 1 1.79 0.01 . 2 . . . A 205 LYS HB2 . 19966 1 305 . 1 1 31 31 LYS HB3 H 1 1.79 0.01 . 2 . . . A 205 LYS HB3 . 19966 1 306 . 1 1 31 31 LYS HG2 H 1 1.404 0.01 . 2 . . . A 205 LYS HG2 . 19966 1 307 . 1 1 31 31 LYS HG3 H 1 1.404 0.01 . 2 . . . A 205 LYS HG3 . 19966 1 308 . 1 1 31 31 LYS HD2 H 1 1.61 0.01 . 2 . . . A 205 LYS HD2 . 19966 1 309 . 1 1 31 31 LYS HD3 H 1 1.61 0.01 . 2 . . . A 205 LYS HD3 . 19966 1 310 . 1 1 31 31 LYS CA C 13 56.682 0.1 . 1 . . . A 205 LYS CA . 19966 1 311 . 1 1 31 31 LYS CB C 13 32.864 0.1 . 1 . . . A 205 LYS CB . 19966 1 312 . 1 1 31 31 LYS CG C 13 24.7 0.1 . 1 . . . A 205 LYS CG . 19966 1 313 . 1 1 31 31 LYS CD C 13 29.197 0.1 . 1 . . . A 205 LYS CD . 19966 1 314 . 1 1 31 31 LYS N N 15 120.331 0.1 . 1 . . . A 205 LYS N . 19966 1 315 . 1 1 32 32 ARG H H 1 8.045 0.01 . 1 . . . A 206 ARG H . 19966 1 316 . 1 1 32 32 ARG HA H 1 4.214 0.01 . 1 . . . A 206 ARG HA . 19966 1 317 . 1 1 32 32 ARG HB2 H 1 1.783 0.01 . 2 . . . A 206 ARG HB2 . 19966 1 318 . 1 1 32 32 ARG HB3 H 1 1.718 0.01 . 2 . . . A 206 ARG HB3 . 19966 1 319 . 1 1 32 32 ARG HG2 H 1 1.558 0.01 . 2 . . . A 206 ARG HG2 . 19966 1 320 . 1 1 32 32 ARG HG3 H 1 1.558 0.01 . 2 . . . A 206 ARG HG3 . 19966 1 321 . 1 1 32 32 ARG HD2 H 1 3.124 0.01 . 2 . . . A 206 ARG HD2 . 19966 1 322 . 1 1 32 32 ARG HD3 H 1 3.124 0.01 . 2 . . . A 206 ARG HD3 . 19966 1 323 . 1 1 32 32 ARG CA C 13 56.345 0.1 . 1 . . . A 206 ARG CA . 19966 1 324 . 1 1 32 32 ARG CB C 13 30.697 0.1 . 1 . . . A 206 ARG CB . 19966 1 325 . 1 1 32 32 ARG CG C 13 27.02 0.1 . 1 . . . A 206 ARG CG . 19966 1 326 . 1 1 32 32 ARG CD C 13 43.3 0.1 . 1 . . . A 206 ARG CD . 19966 1 327 . 1 1 32 32 ARG N N 15 120.922 0.1 . 1 . . . A 206 ARG N . 19966 1 328 . 1 1 33 33 LYS H H 1 8.19 0.01 . 1 . . . A 207 LYS H . 19966 1 329 . 1 1 33 33 LYS HA H 1 4.235 0.01 . 1 . . . A 207 LYS HA . 19966 1 330 . 1 1 33 33 LYS HB2 H 1 1.689 0.01 . 2 . . . A 207 LYS HB2 . 19966 1 331 . 1 1 33 33 LYS HB3 H 1 1.689 0.01 . 2 . . . A 207 LYS HB3 . 19966 1 332 . 1 1 33 33 LYS HG2 H 1 1.306 0.01 . 2 . . . A 207 LYS HG2 . 19966 1 333 . 1 1 33 33 LYS HG3 H 1 1.34 0.01 . 2 . . . A 207 LYS HG3 . 19966 1 334 . 1 1 33 33 LYS HD2 H 1 1.618 0.01 . 2 . . . A 207 LYS HD2 . 19966 1 335 . 1 1 33 33 LYS HD3 H 1 1.618 0.01 . 2 . . . A 207 LYS HD3 . 19966 1 336 . 1 1 33 33 LYS CA C 13 56.151 0.1 . 1 . . . A 207 LYS CA . 19966 1 337 . 1 1 33 33 LYS CB C 13 33.174 0.1 . 1 . . . A 207 LYS CB . 19966 1 338 . 1 1 33 33 LYS CG C 13 24.833 0.1 . 1 . . . A 207 LYS CG . 19966 1 339 . 1 1 33 33 LYS CD C 13 28.755 0.1 . 1 . . . A 207 LYS CD . 19966 1 340 . 1 1 33 33 LYS N N 15 122.214 0.1 . 1 . . . A 207 LYS N . 19966 1 341 . 1 1 34 34 ILE H H 1 8.108 0.01 . 1 . . . A 208 ILE H . 19966 1 342 . 1 1 34 34 ILE HA H 1 4.043 0.01 . 1 . . . A 208 ILE HA . 19966 1 343 . 1 1 34 34 ILE HB H 1 1.732 0.01 . 1 . . . A 208 ILE HB . 19966 1 344 . 1 1 34 34 ILE HG12 H 1 1.081 0.01 . 2 . . . A 208 ILE HG12 . 19966 1 345 . 1 1 34 34 ILE HG13 H 1 1.428 0.01 . 2 . . . A 208 ILE HG13 . 19966 1 346 . 1 1 34 34 ILE HG21 H 1 0.938 0.01 . 1 . . . A 208 ILE HG21 . 19966 1 347 . 1 1 34 34 ILE HG22 H 1 0.938 0.01 . 1 . . . A 208 ILE HG22 . 19966 1 348 . 1 1 34 34 ILE HG23 H 1 0.938 0.01 . 1 . . . A 208 ILE HG23 . 19966 1 349 . 1 1 34 34 ILE HD11 H 1 0.827 0.01 . 1 . . . A 208 ILE HD11 . 19966 1 350 . 1 1 34 34 ILE HD12 H 1 0.827 0.01 . 1 . . . A 208 ILE HD12 . 19966 1 351 . 1 1 34 34 ILE HD13 H 1 0.827 0.01 . 1 . . . A 208 ILE HD13 . 19966 1 352 . 1 1 34 34 ILE CA C 13 61.215 0.1 . 1 . . . A 208 ILE CA . 19966 1 353 . 1 1 34 34 ILE CB C 13 38.635 0.1 . 1 . . . A 208 ILE CB . 19966 1 354 . 1 1 34 34 ILE CG1 C 13 27.831 0.1 . 1 . . . A 208 ILE CG1 . 19966 1 355 . 1 1 34 34 ILE CG2 C 13 17.808 0.1 . 1 . . . A 208 ILE CG2 . 19966 1 356 . 1 1 34 34 ILE CD1 C 13 13.09 0.1 . 1 . . . A 208 ILE CD1 . 19966 1 357 . 1 1 34 34 ILE N N 15 121.192 0.1 . 1 . . . A 208 ILE N . 19966 1 358 . 1 1 35 35 HIS H H 1 8.777 0.01 . 1 . . . A 209 HIS H . 19966 1 359 . 1 1 35 35 HIS HA H 1 4.758 0.01 . 1 . . . A 209 HIS HA . 19966 1 360 . 1 1 35 35 HIS HB2 H 1 3.074 0.01 . 2 . . . A 209 HIS HB2 . 19966 1 361 . 1 1 35 35 HIS HB3 H 1 3.37 0.01 . 2 . . . A 209 HIS HB3 . 19966 1 362 . 1 1 35 35 HIS CA C 13 55.061 0.1 . 1 . . . A 209 HIS CA . 19966 1 363 . 1 1 35 35 HIS CB C 13 29.235 0.1 . 1 . . . A 209 HIS CB . 19966 1 364 . 1 1 35 35 HIS N N 15 123.241 0.1 . 1 . . . A 209 HIS N . 19966 1 365 . 1 1 36 36 LEU H H 1 8.632 0.01 . 1 . . . A 210 LEU H . 19966 1 366 . 1 1 36 36 LEU HA H 1 4.173 0.01 . 1 . . . A 210 LEU HA . 19966 1 367 . 1 1 36 36 LEU HB2 H 1 1.608 0.01 . 2 . . . A 210 LEU HB2 . 19966 1 368 . 1 1 36 36 LEU HB3 H 1 1.669 0.01 . 2 . . . A 210 LEU HB3 . 19966 1 369 . 1 1 36 36 LEU HG H 1 1.511 0.01 . 1 . . . A 210 LEU HG . 19966 1 370 . 1 1 36 36 LEU HD11 H 1 0.846 0.01 . 1 . . . A 210 LEU HD11 . 19966 1 371 . 1 1 36 36 LEU HD12 H 1 0.846 0.01 . 1 . . . A 210 LEU HD12 . 19966 1 372 . 1 1 36 36 LEU HD13 H 1 0.846 0.01 . 1 . . . A 210 LEU HD13 . 19966 1 373 . 1 1 36 36 LEU HD21 H 1 0.846 0.01 . 1 . . . A 210 LEU HD21 . 19966 1 374 . 1 1 36 36 LEU HD22 H 1 0.846 0.01 . 1 . . . A 210 LEU HD22 . 19966 1 375 . 1 1 36 36 LEU HD23 H 1 0.846 0.01 . 1 . . . A 210 LEU HD23 . 19966 1 376 . 1 1 36 36 LEU CA C 13 57.105 0.1 . 1 . . . A 210 LEU CA . 19966 1 377 . 1 1 36 36 LEU CB C 13 41.97 0.1 . 1 . . . A 210 LEU CB . 19966 1 378 . 1 1 36 36 LEU CG C 13 27.435 0.1 . 1 . . . A 210 LEU CG . 19966 1 379 . 1 1 36 36 LEU CD1 C 13 24.072 0.1 . 2 . . . A 210 LEU CD1 . 19966 1 380 . 1 1 36 36 LEU CD2 C 13 24.946 0.1 . 2 . . . A 210 LEU CD2 . 19966 1 381 . 1 1 36 36 LEU N N 15 124.314 0.1 . 1 . . . A 210 LEU N . 19966 1 382 . 1 1 37 37 SER H H 1 8.449 0.01 . 1 . . . A 211 SER H . 19966 1 383 . 1 1 37 37 SER HA H 1 4.218 0.01 . 1 . . . A 211 SER HA . 19966 1 384 . 1 1 37 37 SER HB2 H 1 3.864 0.01 . 2 . . . A 211 SER HB2 . 19966 1 385 . 1 1 37 37 SER HB3 H 1 3.864 0.01 . 2 . . . A 211 SER HB3 . 19966 1 386 . 1 1 37 37 SER CA C 13 59.648 0.1 . 1 . . . A 211 SER CA . 19966 1 387 . 1 1 37 37 SER CB C 13 62.789 0.1 . 1 . . . A 211 SER CB . 19966 1 388 . 1 1 37 37 SER N N 15 113.58 0.1 . 1 . . . A 211 SER N . 19966 1 389 . 1 1 38 38 GLU H H 1 7.916 0.01 . 1 . . . A 212 GLU H . 19966 1 390 . 1 1 38 38 GLU HA H 1 4.209 0.01 . 1 . . . A 212 GLU HA . 19966 1 391 . 1 1 38 38 GLU HB2 H 1 1.981 0.01 . 2 . . . A 212 GLU HB2 . 19966 1 392 . 1 1 38 38 GLU HB3 H 1 2.329 0.01 . 2 . . . A 212 GLU HB3 . 19966 1 393 . 1 1 38 38 GLU HG2 H 1 2.332 0.01 . 2 . . . A 212 GLU HG2 . 19966 1 394 . 1 1 38 38 GLU HG3 H 1 2.283 0.01 . 2 . . . A 212 GLU HG3 . 19966 1 395 . 1 1 38 38 GLU CA C 13 57.535 0.1 . 1 . . . A 212 GLU CA . 19966 1 396 . 1 1 38 38 GLU CB C 13 29.76 0.1 . 1 . . . A 212 GLU CB . 19966 1 397 . 1 1 38 38 GLU CG C 13 35.986 0.1 . 1 . . . A 212 GLU CG . 19966 1 398 . 1 1 38 38 GLU N N 15 120.551 0.1 . 1 . . . A 212 GLU N . 19966 1 399 . 1 1 39 39 LEU H H 1 7.918 0.01 . 1 . . . A 213 LEU H . 19966 1 400 . 1 1 39 39 LEU HA H 1 4.188 0.01 . 1 . . . A 213 LEU HA . 19966 1 401 . 1 1 39 39 LEU HB2 H 1 1.726 0.01 . 2 . . . A 213 LEU HB2 . 19966 1 402 . 1 1 39 39 LEU HB3 H 1 1.499 0.01 . 2 . . . A 213 LEU HB3 . 19966 1 403 . 1 1 39 39 LEU HG H 1 1.598 0.01 . 1 . . . A 213 LEU HG . 19966 1 404 . 1 1 39 39 LEU HD11 H 1 0.709 0.01 . 1 . . . A 213 LEU HD11 . 19966 1 405 . 1 1 39 39 LEU HD12 H 1 0.709 0.01 . 1 . . . A 213 LEU HD12 . 19966 1 406 . 1 1 39 39 LEU HD13 H 1 0.709 0.01 . 1 . . . A 213 LEU HD13 . 19966 1 407 . 1 1 39 39 LEU HD21 H 1 0.824 0.01 . 1 . . . A 213 LEU HD21 . 19966 1 408 . 1 1 39 39 LEU HD22 H 1 0.824 0.01 . 1 . . . A 213 LEU HD22 . 19966 1 409 . 1 1 39 39 LEU HD23 H 1 0.824 0.01 . 1 . . . A 213 LEU HD23 . 19966 1 410 . 1 1 39 39 LEU CA C 13 56.455 0.1 . 1 . . . A 213 LEU CA . 19966 1 411 . 1 1 39 39 LEU CB C 13 42.284 0.1 . 1 . . . A 213 LEU CB . 19966 1 412 . 1 1 39 39 LEU CG C 13 26.8 0.1 . 1 . . . A 213 LEU CG . 19966 1 413 . 1 1 39 39 LEU CD1 C 13 23.619 0.1 . 2 . . . A 213 LEU CD1 . 19966 1 414 . 1 1 39 39 LEU CD2 C 13 25.085 0.1 . 2 . . . A 213 LEU CD2 . 19966 1 415 . 1 1 39 39 LEU N N 15 120.474 0.1 . 1 . . . A 213 LEU N . 19966 1 416 . 1 1 40 40 MET H H 1 7.804 0.01 . 1 . . . A 214 MET H . 19966 1 417 . 1 1 40 40 MET HA H 1 4.373 0.01 . 1 . . . A 214 MET HA . 19966 1 418 . 1 1 40 40 MET HB2 H 1 2.13 0.01 . 2 . . . A 214 MET HB2 . 19966 1 419 . 1 1 40 40 MET HB3 H 1 1.987 0.01 . 2 . . . A 214 MET HB3 . 19966 1 420 . 1 1 40 40 MET HG2 H 1 2.608 0.01 . 2 . . . A 214 MET HG2 . 19966 1 421 . 1 1 40 40 MET HG3 H 1 2.624 0.01 . 2 . . . A 214 MET HG3 . 19966 1 422 . 1 1 40 40 MET CA C 13 55.583 0.1 . 1 . . . A 214 MET CA . 19966 1 423 . 1 1 40 40 MET CB C 13 32.313 0.1 . 1 . . . A 214 MET CB . 19966 1 424 . 1 1 40 40 MET CG C 13 32.433 0.1 . 1 . . . A 214 MET CG . 19966 1 425 . 1 1 40 40 MET N N 15 116.728 0.1 . 1 . . . A 214 MET N . 19966 1 426 . 1 1 41 41 LEU H H 1 7.506 0.01 . 1 . . . A 215 LEU H . 19966 1 427 . 1 1 41 41 LEU HA H 1 4.305 0.01 . 1 . . . A 215 LEU HA . 19966 1 428 . 1 1 41 41 LEU HB2 H 1 1.611 0.01 . 2 . . . A 215 LEU HB2 . 19966 1 429 . 1 1 41 41 LEU HB3 H 1 1.771 0.01 . 2 . . . A 215 LEU HB3 . 19966 1 430 . 1 1 41 41 LEU HG H 1 1.758 0.01 . 1 . . . A 215 LEU HG . 19966 1 431 . 1 1 41 41 LEU HD11 H 1 0.904 0.01 . 1 . . . A 215 LEU HD11 . 19966 1 432 . 1 1 41 41 LEU HD12 H 1 0.904 0.01 . 1 . . . A 215 LEU HD12 . 19966 1 433 . 1 1 41 41 LEU HD13 H 1 0.904 0.01 . 1 . . . A 215 LEU HD13 . 19966 1 434 . 1 1 41 41 LEU HD21 H 1 0.856 0.01 . 1 . . . A 215 LEU HD21 . 19966 1 435 . 1 1 41 41 LEU HD22 H 1 0.856 0.01 . 1 . . . A 215 LEU HD22 . 19966 1 436 . 1 1 41 41 LEU HD23 H 1 0.856 0.01 . 1 . . . A 215 LEU HD23 . 19966 1 437 . 1 1 41 41 LEU CA C 13 55.333 0.1 . 1 . . . A 215 LEU CA . 19966 1 438 . 1 1 41 41 LEU CB C 13 42.834 0.1 . 1 . . . A 215 LEU CB . 19966 1 439 . 1 1 41 41 LEU CG C 13 26.802 0.1 . 1 . . . A 215 LEU CG . 19966 1 440 . 1 1 41 41 LEU CD1 C 13 25.36 0.1 . 2 . . . A 215 LEU CD1 . 19966 1 441 . 1 1 41 41 LEU CD2 C 13 22.931 0.1 . 2 . . . A 215 LEU CD2 . 19966 1 442 . 1 1 41 41 LEU N N 15 120.281 0.1 . 1 . . . A 215 LEU N . 19966 1 443 . 1 1 42 42 GLU H H 1 8.204 0.01 . 1 . . . A 216 GLU H . 19966 1 444 . 1 1 42 42 GLU HA H 1 4.291 0.01 . 1 . . . A 216 GLU HA . 19966 1 445 . 1 1 42 42 GLU HB2 H 1 2.042 0.01 . 2 . . . A 216 GLU HB2 . 19966 1 446 . 1 1 42 42 GLU HB3 H 1 2.005 0.01 . 2 . . . A 216 GLU HB3 . 19966 1 447 . 1 1 42 42 GLU HG2 H 1 2.406 0.01 . 2 . . . A 216 GLU HG2 . 19966 1 448 . 1 1 42 42 GLU HG3 H 1 2.344 0.01 . 2 . . . A 216 GLU HG3 . 19966 1 449 . 1 1 42 42 GLU CA C 13 56.896 0.1 . 1 . . . A 216 GLU CA . 19966 1 450 . 1 1 42 42 GLU CB C 13 29.952 0.1 . 1 . . . A 216 GLU CB . 19966 1 451 . 1 1 42 42 GLU CG C 13 35.368 0.1 . 1 . . . A 216 GLU CG . 19966 1 452 . 1 1 42 42 GLU N N 15 118.711 0.1 . 1 . . . A 216 GLU N . 19966 1 453 . 1 1 43 43 LYS H H 1 7.816 0.01 . 1 . . . A 217 LYS H . 19966 1 454 . 1 1 43 43 LYS HA H 1 4.334 0.01 . 1 . . . A 217 LYS HA . 19966 1 455 . 1 1 43 43 LYS HB2 H 1 1.623 0.01 . 2 . . . A 217 LYS HB2 . 19966 1 456 . 1 1 43 43 LYS HB3 H 1 1.569 0.01 . 2 . . . A 217 LYS HB3 . 19966 1 457 . 1 1 43 43 LYS HG2 H 1 1.312 0.01 . 2 . . . A 217 LYS HG2 . 19966 1 458 . 1 1 43 43 LYS HG3 H 1 1.251 0.01 . 2 . . . A 217 LYS HG3 . 19966 1 459 . 1 1 43 43 LYS HD2 H 1 1.576 0.01 . 2 . . . A 217 LYS HD2 . 19966 1 460 . 1 1 43 43 LYS HD3 H 1 1.598 0.01 . 2 . . . A 217 LYS HD3 . 19966 1 461 . 1 1 43 43 LYS CA C 13 54.685 0.1 . 1 . . . A 217 LYS CA . 19966 1 462 . 1 1 43 43 LYS CB C 13 33.689 0.1 . 1 . . . A 217 LYS CB . 19966 1 463 . 1 1 43 43 LYS CG C 13 24.677 0.1 . 1 . . . A 217 LYS CG . 19966 1 464 . 1 1 43 43 LYS CD C 13 29.315 0.1 . 1 . . . A 217 LYS CD . 19966 1 465 . 1 1 43 43 LYS N N 15 119.136 0.1 . 1 . . . A 217 LYS N . 19966 1 466 . 1 1 44 44 CYS H H 1 8.269 0.01 . 1 . . . A 218 CYS H . 19966 1 467 . 1 1 44 44 CYS HA H 1 2.309 0.01 . 1 . . . A 218 CYS HA . 19966 1 468 . 1 1 44 44 CYS HB2 H 1 2.581 0.01 . 2 . . . A 218 CYS HB2 . 19966 1 469 . 1 1 44 44 CYS HB3 H 1 2.074 0.01 . 2 . . . A 218 CYS HB3 . 19966 1 470 . 1 1 44 44 CYS CA C 13 55.792 0.1 . 1 . . . A 218 CYS CA . 19966 1 471 . 1 1 44 44 CYS CB C 13 27.989 0.1 . 1 . . . A 218 CYS CB . 19966 1 472 . 1 1 44 44 CYS N N 15 124.106 0.1 . 1 . . . A 218 CYS N . 19966 1 473 . 1 1 45 45 PRO HA H 1 4.191 0.01 . 1 . . . A 219 PRO HA . 19966 1 474 . 1 1 45 45 PRO HB2 H 1 1.691 0.01 . 2 . . . A 219 PRO HB2 . 19966 1 475 . 1 1 45 45 PRO HB3 H 1 1.293 0.01 . 2 . . . A 219 PRO HB3 . 19966 1 476 . 1 1 45 45 PRO HG2 H 1 0.317 0.01 . 2 . . . A 219 PRO HG2 . 19966 1 477 . 1 1 45 45 PRO HG3 H 1 1.365 0.01 . 2 . . . A 219 PRO HG3 . 19966 1 478 . 1 1 45 45 PRO HD2 H 1 2.037 0.01 . 2 . . . A 219 PRO HD2 . 19966 1 479 . 1 1 45 45 PRO HD3 H 1 3.05 0.01 . 2 . . . A 219 PRO HD3 . 19966 1 480 . 1 1 45 45 PRO CA C 13 62.954 0.1 . 1 . . . A 219 PRO CA . 19966 1 481 . 1 1 45 45 PRO CB C 13 31.379 0.1 . 1 . . . A 219 PRO CB . 19966 1 482 . 1 1 45 45 PRO CG C 13 25.384 0.1 . 1 . . . A 219 PRO CG . 19966 1 483 . 1 1 45 45 PRO CD C 13 49.993 0.1 . 1 . . . A 219 PRO CD . 19966 1 484 . 1 1 46 46 PHE H H 1 6.963 0.01 . 1 . . . A 220 PHE H . 19966 1 485 . 1 1 46 46 PHE HA H 1 4.93 0.01 . 1 . . . A 220 PHE HA . 19966 1 486 . 1 1 46 46 PHE HB2 H 1 1.983 0.01 . 2 . . . A 220 PHE HB2 . 19966 1 487 . 1 1 46 46 PHE HB3 H 1 3.107 0.01 . 2 . . . A 220 PHE HB3 . 19966 1 488 . 1 1 46 46 PHE HD1 H 1 6.881 0.01 . 3 . . . A 220 PHE HD1 . 19966 1 489 . 1 1 46 46 PHE HD2 H 1 6.881 0.01 . 3 . . . A 220 PHE HD2 . 19966 1 490 . 1 1 46 46 PHE CA C 13 54.738 0.1 . 1 . . . A 220 PHE CA . 19966 1 491 . 1 1 46 46 PHE CB C 13 39.808 0.1 . 1 . . . A 220 PHE CB . 19966 1 492 . 1 1 46 46 PHE CD1 C 13 131.677 0.1 . 1 . . . A 220 PHE CD1 . 19966 1 493 . 1 1 46 46 PHE CD2 C 13 131.757 0.1 . 1 . . . A 220 PHE CD2 . 19966 1 494 . 1 1 46 46 PHE N N 15 119.568 0.1 . 1 . . . A 220 PHE N . 19966 1 495 . 1 1 47 47 PRO HA H 1 4.29 0.01 . 1 . . . A 221 PRO HA . 19966 1 496 . 1 1 47 47 PRO HB2 H 1 2.346 0.01 . 2 . . . A 221 PRO HB2 . 19966 1 497 . 1 1 47 47 PRO HB3 H 1 1.815 0.01 . 2 . . . A 221 PRO HB3 . 19966 1 498 . 1 1 47 47 PRO HG2 H 1 2.091 0.01 . 2 . . . A 221 PRO HG2 . 19966 1 499 . 1 1 47 47 PRO HG3 H 1 2.024 0.01 . 2 . . . A 221 PRO HG3 . 19966 1 500 . 1 1 47 47 PRO HD2 H 1 3.636 0.01 . 2 . . . A 221 PRO HD2 . 19966 1 501 . 1 1 47 47 PRO HD3 H 1 3.984 0.01 . 2 . . . A 221 PRO HD3 . 19966 1 502 . 1 1 47 47 PRO CA C 13 62.727 0.1 . 1 . . . A 221 PRO CA . 19966 1 503 . 1 1 47 47 PRO CB C 13 32.251 0.1 . 1 . . . A 221 PRO CB . 19966 1 504 . 1 1 47 47 PRO CG C 13 27.937 0.1 . 1 . . . A 221 PRO CG . 19966 1 505 . 1 1 47 47 PRO CD C 13 50.708 0.1 . 1 . . . A 221 PRO CD . 19966 1 506 . 1 1 48 48 ALA H H 1 8.718 0.01 . 1 . . . A 222 ALA H . 19966 1 507 . 1 1 48 48 ALA HA H 1 4.047 0.01 . 1 . . . A 222 ALA HA . 19966 1 508 . 1 1 48 48 ALA HB1 H 1 1.367 0.01 . 1 . . . A 222 ALA HB1 . 19966 1 509 . 1 1 48 48 ALA HB2 H 1 1.367 0.01 . 1 . . . A 222 ALA HB2 . 19966 1 510 . 1 1 48 48 ALA HB3 H 1 1.367 0.01 . 1 . . . A 222 ALA HB3 . 19966 1 511 . 1 1 48 48 ALA CA C 13 53.784 0.1 . 1 . . . A 222 ALA CA . 19966 1 512 . 1 1 48 48 ALA CB C 13 18.266 0.1 . 1 . . . A 222 ALA CB . 19966 1 513 . 1 1 48 48 ALA N N 15 127.256 0.1 . 1 . . . A 222 ALA N . 19966 1 514 . 1 1 49 49 GLY H H 1 8.825 0.01 . 1 . . . A 223 GLY H . 19966 1 515 . 1 1 49 49 GLY HA2 H 1 4.145 0.01 . 2 . . . A 223 GLY HA2 . 19966 1 516 . 1 1 49 49 GLY HA3 H 1 3.758 0.01 . 2 . . . A 223 GLY HA3 . 19966 1 517 . 1 1 49 49 GLY CA C 13 45.368 0.1 . 1 . . . A 223 GLY CA . 19966 1 518 . 1 1 49 49 GLY N N 15 109.449 0.1 . 1 . . . A 223 GLY N . 19966 1 519 . 1 1 50 50 SER H H 1 7.865 0.01 . 1 . . . A 224 SER H . 19966 1 520 . 1 1 50 50 SER HA H 1 4.444 0.01 . 1 . . . A 224 SER HA . 19966 1 521 . 1 1 50 50 SER HB2 H 1 3.952 0.01 . 2 . . . A 224 SER HB2 . 19966 1 522 . 1 1 50 50 SER HB3 H 1 4.244 0.01 . 2 . . . A 224 SER HB3 . 19966 1 523 . 1 1 50 50 SER CA C 13 58.172 0.1 . 1 . . . A 224 SER CA . 19966 1 524 . 1 1 50 50 SER CB C 13 65.665 0.1 . 1 . . . A 224 SER CB . 19966 1 525 . 1 1 50 50 SER N N 15 114.2 0.1 . 1 . . . A 224 SER N . 19966 1 526 . 1 1 51 51 ASP H H 1 8.904 0.01 . 1 . . . A 225 ASP H . 19966 1 527 . 1 1 51 51 ASP HA H 1 4.349 0.01 . 1 . . . A 225 ASP HA . 19966 1 528 . 1 1 51 51 ASP HB2 H 1 2.638 0.01 . 2 . . . A 225 ASP HB2 . 19966 1 529 . 1 1 51 51 ASP HB3 H 1 2.638 0.01 . 2 . . . A 225 ASP HB3 . 19966 1 530 . 1 1 51 51 ASP CA C 13 57.2 0.1 . 1 . . . A 225 ASP CA . 19966 1 531 . 1 1 51 51 ASP CB C 13 40.259 0.1 . 1 . . . A 225 ASP CB . 19966 1 532 . 1 1 51 51 ASP N N 15 122.8 0.1 . 1 . . . A 225 ASP N . 19966 1 533 . 1 1 52 52 LEU H H 1 8.011 0.01 . 1 . . . A 226 LEU H . 19966 1 534 . 1 1 52 52 LEU HA H 1 3.751 0.01 . 1 . . . A 226 LEU HA . 19966 1 535 . 1 1 52 52 LEU HB2 H 1 1.014 0.01 . 2 . . . A 226 LEU HB2 . 19966 1 536 . 1 1 52 52 LEU HB3 H 1 0.035 0.01 . 2 . . . A 226 LEU HB3 . 19966 1 537 . 1 1 52 52 LEU HG H 1 1.404 0.01 . 1 . . . A 226 LEU HG . 19966 1 538 . 1 1 52 52 LEU HD11 H 1 0.46 0.01 . 1 . . . A 226 LEU HD11 . 19966 1 539 . 1 1 52 52 LEU HD12 H 1 0.46 0.01 . 1 . . . A 226 LEU HD12 . 19966 1 540 . 1 1 52 52 LEU HD13 H 1 0.46 0.01 . 1 . . . A 226 LEU HD13 . 19966 1 541 . 1 1 52 52 LEU HD21 H 1 0.546 0.01 . 1 . . . A 226 LEU HD21 . 19966 1 542 . 1 1 52 52 LEU HD22 H 1 0.546 0.01 . 1 . . . A 226 LEU HD22 . 19966 1 543 . 1 1 52 52 LEU HD23 H 1 0.546 0.01 . 1 . . . A 226 LEU HD23 . 19966 1 544 . 1 1 52 52 LEU CA C 13 57.402 0.1 . 1 . . . A 226 LEU CA . 19966 1 545 . 1 1 52 52 LEU CB C 13 40.438 0.1 . 1 . . . A 226 LEU CB . 19966 1 546 . 1 1 52 52 LEU CG C 13 26.695 0.1 . 1 . . . A 226 LEU CG . 19966 1 547 . 1 1 52 52 LEU CD1 C 13 22.582 0.1 . 2 . . . A 226 LEU CD1 . 19966 1 548 . 1 1 52 52 LEU CD2 C 13 25.423 0.1 . 2 . . . A 226 LEU CD2 . 19966 1 549 . 1 1 52 52 LEU N N 15 117.962 0.1 . 1 . . . A 226 LEU N . 19966 1 550 . 1 1 53 53 ALA H H 1 7.669 0.01 . 1 . . . A 227 ALA H . 19966 1 551 . 1 1 53 53 ALA HA H 1 4.056 0.01 . 1 . . . A 227 ALA HA . 19966 1 552 . 1 1 53 53 ALA HB1 H 1 1.447 0.01 . 1 . . . A 227 ALA HB1 . 19966 1 553 . 1 1 53 53 ALA HB2 H 1 1.447 0.01 . 1 . . . A 227 ALA HB2 . 19966 1 554 . 1 1 53 53 ALA HB3 H 1 1.447 0.01 . 1 . . . A 227 ALA HB3 . 19966 1 555 . 1 1 53 53 ALA CA C 13 55.382 0.1 . 1 . . . A 227 ALA CA . 19966 1 556 . 1 1 53 53 ALA CB C 13 19.009 0.1 . 1 . . . A 227 ALA CB . 19966 1 557 . 1 1 53 53 ALA N N 15 120.417 0.1 . 1 . . . A 227 ALA N . 19966 1 558 . 1 1 54 54 GLN H H 1 7.995 0.01 . 1 . . . A 228 GLN H . 19966 1 559 . 1 1 54 54 GLN HA H 1 4.228 0.01 . 1 . . . A 228 GLN HA . 19966 1 560 . 1 1 54 54 GLN HB2 H 1 2.215 0.01 . 2 . . . A 228 GLN HB2 . 19966 1 561 . 1 1 54 54 GLN HB3 H 1 2.215 0.01 . 2 . . . A 228 GLN HB3 . 19966 1 562 . 1 1 54 54 GLN HG2 H 1 2.362 0.01 . 2 . . . A 228 GLN HG2 . 19966 1 563 . 1 1 54 54 GLN HG3 H 1 2.466 0.01 . 2 . . . A 228 GLN HG3 . 19966 1 564 . 1 1 54 54 GLN CA C 13 58.89 0.1 . 1 . . . A 228 GLN CA . 19966 1 565 . 1 1 54 54 GLN CB C 13 28.414 0.1 . 1 . . . A 228 GLN CB . 19966 1 566 . 1 1 54 54 GLN CG C 13 34.028 0.1 . 1 . . . A 228 GLN CG . 19966 1 567 . 1 1 54 54 GLN N N 15 118.234 0.1 . 1 . . . A 228 GLN N . 19966 1 568 . 1 1 55 55 LYS H H 1 7.961 0.01 . 1 . . . A 229 LYS H . 19966 1 569 . 1 1 55 55 LYS HA H 1 4.017 0.01 . 1 . . . A 229 LYS HA . 19966 1 570 . 1 1 55 55 LYS HB2 H 1 1.821 0.01 . 2 . . . A 229 LYS HB2 . 19966 1 571 . 1 1 55 55 LYS HB3 H 1 1.821 0.01 . 2 . . . A 229 LYS HB3 . 19966 1 572 . 1 1 55 55 LYS HG2 H 1 1.374 0.01 . 2 . . . A 229 LYS HG2 . 19966 1 573 . 1 1 55 55 LYS HG3 H 1 1.509 0.01 . 2 . . . A 229 LYS HG3 . 19966 1 574 . 1 1 55 55 LYS HD2 H 1 1.551 0.01 . 2 . . . A 229 LYS HD2 . 19966 1 575 . 1 1 55 55 LYS HD3 H 1 1.551 0.01 . 2 . . . A 229 LYS HD3 . 19966 1 576 . 1 1 55 55 LYS CA C 13 58.993 0.1 . 1 . . . A 229 LYS CA . 19966 1 577 . 1 1 55 55 LYS CB C 13 32.762 0.1 . 1 . . . A 229 LYS CB . 19966 1 578 . 1 1 55 55 LYS CG C 13 25.422 0.1 . 1 . . . A 229 LYS CG . 19966 1 579 . 1 1 55 55 LYS CD C 13 28.759 0.1 . 1 . . . A 229 LYS CD . 19966 1 580 . 1 1 55 55 LYS N N 15 118.957 0.1 . 1 . . . A 229 LYS N . 19966 1 581 . 1 1 56 56 TRP H H 1 8.362 0.01 . 1 . . . A 230 TRP H . 19966 1 582 . 1 1 56 56 TRP HA H 1 4.077 0.01 . 1 . . . A 230 TRP HA . 19966 1 583 . 1 1 56 56 TRP HB2 H 1 3.434 0.01 . 2 . . . A 230 TRP HB2 . 19966 1 584 . 1 1 56 56 TRP HB3 H 1 3.651 0.01 . 2 . . . A 230 TRP HB3 . 19966 1 585 . 1 1 56 56 TRP HD1 H 1 7.201 0.01 . 1 . . . A 230 TRP HD1 . 19966 1 586 . 1 1 56 56 TRP HE1 H 1 10.27 0.01 . 1 . . . A 230 TRP HE1 . 19966 1 587 . 1 1 56 56 TRP HE3 H 1 6.848 0.01 . 1 . . . A 230 TRP HE3 . 19966 1 588 . 1 1 56 56 TRP HZ2 H 1 7.313 0.01 . 1 . . . A 230 TRP HZ2 . 19966 1 589 . 1 1 56 56 TRP HZ3 H 1 6.852 0.01 . 1 . . . A 230 TRP HZ3 . 19966 1 590 . 1 1 56 56 TRP HH2 H 1 6.981 0.01 . 1 . . . A 230 TRP HH2 . 19966 1 591 . 1 1 56 56 TRP CA C 13 61.572 0.1 . 1 . . . A 230 TRP CA . 19966 1 592 . 1 1 56 56 TRP CB C 13 30.023 0.1 . 1 . . . A 230 TRP CB . 19966 1 593 . 1 1 56 56 TRP CD1 C 13 126.574 0.1 . 1 . . . A 230 TRP CD1 . 19966 1 594 . 1 1 56 56 TRP CE3 C 13 119.774 0.1 . 1 . . . A 230 TRP CE3 . 19966 1 595 . 1 1 56 56 TRP CZ2 C 13 115.344 0.1 . 1 . . . A 230 TRP CZ2 . 19966 1 596 . 1 1 56 56 TRP CZ3 C 13 122.4 0.1 . 1 . . . A 230 TRP CZ3 . 19966 1 597 . 1 1 56 56 TRP CH2 C 13 125.114 0.1 . 1 . . . A 230 TRP CH2 . 19966 1 598 . 1 1 56 56 TRP N N 15 120.011 0.1 . 1 . . . A 230 TRP N . 19966 1 599 . 1 1 56 56 TRP NE1 N 15 129.738 0.1 . 1 . . . A 230 TRP NE1 . 19966 1 600 . 1 1 57 57 HIS H H 1 8.338 0.01 . 1 . . . A 231 HIS H . 19966 1 601 . 1 1 57 57 HIS HA H 1 4.206 0.01 . 1 . . . A 231 HIS HA . 19966 1 602 . 1 1 57 57 HIS HB2 H 1 3.378 0.01 . 2 . . . A 231 HIS HB2 . 19966 1 603 . 1 1 57 57 HIS HB3 H 1 3.378 0.01 . 2 . . . A 231 HIS HB3 . 19966 1 604 . 1 1 57 57 HIS HD2 H 1 7.486 0.01 . 1 . . . A 231 HIS HD2 . 19966 1 605 . 1 1 57 57 HIS CA C 13 59.038 0.1 . 1 . . . A 231 HIS CA . 19966 1 606 . 1 1 57 57 HIS CB C 13 28.578 0.1 . 1 . . . A 231 HIS CB . 19966 1 607 . 1 1 57 57 HIS CD2 C 13 121.377 0.1 . 1 . . . A 231 HIS CD2 . 19966 1 608 . 1 1 57 57 HIS N N 15 114.262 0.1 . 1 . . . A 231 HIS N . 19966 1 609 . 1 1 58 58 LEU H H 1 7.876 0.01 . 1 . . . A 232 LEU H . 19966 1 610 . 1 1 58 58 LEU HA H 1 4.089 0.01 . 1 . . . A 232 LEU HA . 19966 1 611 . 1 1 58 58 LEU HB2 H 1 1.793 0.01 . 2 . . . A 232 LEU HB2 . 19966 1 612 . 1 1 58 58 LEU HB3 H 1 1.625 0.01 . 2 . . . A 232 LEU HB3 . 19966 1 613 . 1 1 58 58 LEU HG H 1 1.675 0.01 . 1 . . . A 232 LEU HG . 19966 1 614 . 1 1 58 58 LEU HD11 H 1 0.861 0.01 . 1 . . . A 232 LEU HD11 . 19966 1 615 . 1 1 58 58 LEU HD12 H 1 0.861 0.01 . 1 . . . A 232 LEU HD12 . 19966 1 616 . 1 1 58 58 LEU HD13 H 1 0.861 0.01 . 1 . . . A 232 LEU HD13 . 19966 1 617 . 1 1 58 58 LEU HD21 H 1 0.861 0.01 . 1 . . . A 232 LEU HD21 . 19966 1 618 . 1 1 58 58 LEU HD22 H 1 0.861 0.01 . 1 . . . A 232 LEU HD22 . 19966 1 619 . 1 1 58 58 LEU HD23 H 1 0.861 0.01 . 1 . . . A 232 LEU HD23 . 19966 1 620 . 1 1 58 58 LEU CA C 13 57.295 0.1 . 1 . . . A 232 LEU CA . 19966 1 621 . 1 1 58 58 LEU CB C 13 42.318 0.1 . 1 . . . A 232 LEU CB . 19966 1 622 . 1 1 58 58 LEU CG C 13 26.789 0.1 . 1 . . . A 232 LEU CG . 19966 1 623 . 1 1 58 58 LEU CD1 C 13 23.584 0.1 . 1 . . . A 232 LEU CD1 . 19966 1 624 . 1 1 58 58 LEU CD2 C 13 23.584 0.1 . 1 . . . A 232 LEU CD2 . 19966 1 625 . 1 1 58 58 LEU N N 15 119.648 0.1 . 1 . . . A 232 LEU N . 19966 1 626 . 1 1 59 59 ILE H H 1 7.891 0.01 . 1 . . . A 233 ILE H . 19966 1 627 . 1 1 59 59 ILE HA H 1 3.777 0.01 . 1 . . . A 233 ILE HA . 19966 1 628 . 1 1 59 59 ILE HB H 1 1.666 0.01 . 1 . . . A 233 ILE HB . 19966 1 629 . 1 1 59 59 ILE HG12 H 1 1.558 0.01 . 2 . . . A 233 ILE HG12 . 19966 1 630 . 1 1 59 59 ILE HG13 H 1 1.071 0.01 . 2 . . . A 233 ILE HG13 . 19966 1 631 . 1 1 59 59 ILE HG21 H 1 0.744 0.01 . 1 . . . A 233 ILE HG21 . 19966 1 632 . 1 1 59 59 ILE HG22 H 1 0.744 0.01 . 1 . . . A 233 ILE HG22 . 19966 1 633 . 1 1 59 59 ILE HG23 H 1 0.744 0.01 . 1 . . . A 233 ILE HG23 . 19966 1 634 . 1 1 59 59 ILE HD11 H 1 0.769 0.01 . 1 . . . A 233 ILE HD11 . 19966 1 635 . 1 1 59 59 ILE HD12 H 1 0.769 0.01 . 1 . . . A 233 ILE HD12 . 19966 1 636 . 1 1 59 59 ILE HD13 H 1 0.769 0.01 . 1 . . . A 233 ILE HD13 . 19966 1 637 . 1 1 59 59 ILE CA C 13 63.255 0.1 . 1 . . . A 233 ILE CA . 19966 1 638 . 1 1 59 59 ILE CB C 13 38.34 0.1 . 1 . . . A 233 ILE CB . 19966 1 639 . 1 1 59 59 ILE CG1 C 13 28.248 0.1 . 1 . . . A 233 ILE CG1 . 19966 1 640 . 1 1 59 59 ILE CG2 C 13 17.775 0.1 . 1 . . . A 233 ILE CG2 . 19966 1 641 . 1 1 59 59 ILE CD1 C 13 13.521 0.1 . 1 . . . A 233 ILE CD1 . 19966 1 642 . 1 1 59 59 ILE N N 15 118.927 0.1 . 1 . . . A 233 ILE N . 19966 1 643 . 1 1 60 60 LYS H H 1 7.856 0.01 . 1 . . . A 234 LYS H . 19966 1 644 . 1 1 60 60 LYS HA H 1 3.864 0.01 . 1 . . . A 234 LYS HA . 19966 1 645 . 1 1 60 60 LYS HB2 H 1 1.284 0.01 . 2 . . . A 234 LYS HB2 . 19966 1 646 . 1 1 60 60 LYS HB3 H 1 1.486 0.01 . 2 . . . A 234 LYS HB3 . 19966 1 647 . 1 1 60 60 LYS HG2 H 1 0.838 0.01 . 2 . . . A 234 LYS HG2 . 19966 1 648 . 1 1 60 60 LYS HG3 H 1 0.629 0.01 . 2 . . . A 234 LYS HG3 . 19966 1 649 . 1 1 60 60 LYS HD2 H 1 1.12 0.01 . 2 . . . A 234 LYS HD2 . 19966 1 650 . 1 1 60 60 LYS HD3 H 1 1.213 0.01 . 2 . . . A 234 LYS HD3 . 19966 1 651 . 1 1 60 60 LYS HE2 H 1 2.706 0.01 . 2 . . . A 234 LYS HE2 . 19966 1 652 . 1 1 60 60 LYS HE3 H 1 2.706 0.01 . 2 . . . A 234 LYS HE3 . 19966 1 653 . 1 1 60 60 LYS CA C 13 57.053 0.1 . 1 . . . A 234 LYS CA . 19966 1 654 . 1 1 60 60 LYS CB C 13 31.715 0.1 . 1 . . . A 234 LYS CB . 19966 1 655 . 1 1 60 60 LYS CG C 13 23.752 0.1 . 1 . . . A 234 LYS CG . 19966 1 656 . 1 1 60 60 LYS CD C 13 27.98 0.1 . 1 . . . A 234 LYS CD . 19966 1 657 . 1 1 60 60 LYS CE C 13 41.83 0.1 . 1 . . . A 234 LYS CE . 19966 1 658 . 1 1 60 60 LYS N N 15 120.681 0.1 . 1 . . . A 234 LYS N . 19966 1 659 . 1 1 61 61 GLN H H 1 7.783 0.01 . 1 . . . A 235 GLN H . 19966 1 660 . 1 1 61 61 GLN HA H 1 4.134 0.01 . 1 . . . A 235 GLN HA . 19966 1 661 . 1 1 61 61 GLN HB2 H 1 1.98 0.01 . 2 . . . A 235 GLN HB2 . 19966 1 662 . 1 1 61 61 GLN HB3 H 1 1.98 0.01 . 2 . . . A 235 GLN HB3 . 19966 1 663 . 1 1 61 61 GLN HG2 H 1 2.307 0.01 . 2 . . . A 235 GLN HG2 . 19966 1 664 . 1 1 61 61 GLN HG3 H 1 2.307 0.01 . 2 . . . A 235 GLN HG3 . 19966 1 665 . 1 1 61 61 GLN CA C 13 56.436 0.1 . 1 . . . A 235 GLN CA . 19966 1 666 . 1 1 61 61 GLN CB C 13 29.204 0.1 . 1 . . . A 235 GLN CB . 19966 1 667 . 1 1 61 61 GLN CG C 13 34.145 0.1 . 1 . . . A 235 GLN CG . 19966 1 668 . 1 1 61 61 GLN N N 15 117.217 0.1 . 1 . . . A 235 GLN N . 19966 1 669 . 1 1 62 62 HIS H H 1 8.036 0.01 . 1 . . . A 236 HIS H . 19966 1 670 . 1 1 62 62 HIS HA H 1 4.667 0.01 . 1 . . . A 236 HIS HA . 19966 1 671 . 1 1 62 62 HIS HB2 H 1 3.155 0.01 . 2 . . . A 236 HIS HB2 . 19966 1 672 . 1 1 62 62 HIS HB3 H 1 3.297 0.01 . 2 . . . A 236 HIS HB3 . 19966 1 673 . 1 1 62 62 HIS CA C 13 54.74 0.1 . 1 . . . A 236 HIS CA . 19966 1 674 . 1 1 62 62 HIS CB C 13 28.918 0.1 . 1 . . . A 236 HIS CB . 19966 1 675 . 1 1 62 62 HIS N N 15 116.811 0.1 . 1 . . . A 236 HIS N . 19966 1 676 . 1 1 63 63 THR H H 1 7.886 0.01 . 1 . . . A 237 THR H . 19966 1 677 . 1 1 63 63 THR HA H 1 4.285 0.01 . 1 . . . A 237 THR HA . 19966 1 678 . 1 1 63 63 THR HB H 1 4.11 0.01 . 1 . . . A 237 THR HB . 19966 1 679 . 1 1 63 63 THR HG21 H 1 1.145 0.01 . 1 . . . A 237 THR HG21 . 19966 1 680 . 1 1 63 63 THR HG22 H 1 1.145 0.01 . 1 . . . A 237 THR HG22 . 19966 1 681 . 1 1 63 63 THR HG23 H 1 1.145 0.01 . 1 . . . A 237 THR HG23 . 19966 1 682 . 1 1 63 63 THR CA C 13 61.844 0.1 . 1 . . . A 237 THR CA . 19966 1 683 . 1 1 63 63 THR CB C 13 69.923 0.1 . 1 . . . A 237 THR CB . 19966 1 684 . 1 1 63 63 THR CG2 C 13 21.706 0.1 . 1 . . . A 237 THR CG2 . 19966 1 685 . 1 1 63 63 THR N N 15 114.129 0.1 . 1 . . . A 237 THR N . 19966 1 686 . 1 1 64 64 ALA H H 1 8.184 0.01 . 1 . . . A 238 ALA H . 19966 1 687 . 1 1 64 64 ALA HA H 1 4.549 0.01 . 1 . . . A 238 ALA HA . 19966 1 688 . 1 1 64 64 ALA HB1 H 1 1.321 0.01 . 1 . . . A 238 ALA HB1 . 19966 1 689 . 1 1 64 64 ALA HB2 H 1 1.321 0.01 . 1 . . . A 238 ALA HB2 . 19966 1 690 . 1 1 64 64 ALA HB3 H 1 1.321 0.01 . 1 . . . A 238 ALA HB3 . 19966 1 691 . 1 1 64 64 ALA CA C 13 50.498 0.1 . 1 . . . A 238 ALA CA . 19966 1 692 . 1 1 64 64 ALA CB C 13 18.35 0.1 . 1 . . . A 238 ALA CB . 19966 1 693 . 1 1 64 64 ALA N N 15 127.265 0.1 . 1 . . . A 238 ALA N . 19966 1 694 . 1 1 65 65 PRO HA H 1 4.416 0.01 . 1 . . . A 239 PRO HA . 19966 1 695 . 1 1 65 65 PRO HB2 H 1 2.223 0.01 . 2 . . . A 239 PRO HB2 . 19966 1 696 . 1 1 65 65 PRO HB3 H 1 1.841 0.01 . 2 . . . A 239 PRO HB3 . 19966 1 697 . 1 1 65 65 PRO HG2 H 1 1.945 0.01 . 2 . . . A 239 PRO HG2 . 19966 1 698 . 1 1 65 65 PRO HG3 H 1 1.945 0.01 . 2 . . . A 239 PRO HG3 . 19966 1 699 . 1 1 65 65 PRO HD2 H 1 3.602 0.01 . 2 . . . A 239 PRO HD2 . 19966 1 700 . 1 1 65 65 PRO HD3 H 1 3.739 0.01 . 2 . . . A 239 PRO HD3 . 19966 1 701 . 1 1 65 65 PRO CA C 13 62.839 0.1 . 1 . . . A 239 PRO CA . 19966 1 702 . 1 1 65 65 PRO CB C 13 32.161 0.1 . 1 . . . A 239 PRO CB . 19966 1 703 . 1 1 65 65 PRO CG C 13 27.415 0.1 . 1 . . . A 239 PRO CG . 19966 1 704 . 1 1 65 65 PRO CD C 13 50.386 0.1 . 1 . . . A 239 PRO CD . 19966 1 705 . 1 1 66 66 VAL H H 1 8.119 0.01 . 1 . . . A 240 VAL H . 19966 1 706 . 1 1 66 66 VAL HA H 1 4.08 0.01 . 1 . . . A 240 VAL HA . 19966 1 707 . 1 1 66 66 VAL HB H 1 1.994 0.01 . 1 . . . A 240 VAL HB . 19966 1 708 . 1 1 66 66 VAL HG11 H 1 0.909 0.01 . 1 . . . A 240 VAL HG11 . 19966 1 709 . 1 1 66 66 VAL HG12 H 1 0.909 0.01 . 1 . . . A 240 VAL HG12 . 19966 1 710 . 1 1 66 66 VAL HG13 H 1 0.909 0.01 . 1 . . . A 240 VAL HG13 . 19966 1 711 . 1 1 66 66 VAL HG21 H 1 0.895 0.01 . 1 . . . A 240 VAL HG21 . 19966 1 712 . 1 1 66 66 VAL HG22 H 1 0.895 0.01 . 1 . . . A 240 VAL HG22 . 19966 1 713 . 1 1 66 66 VAL HG23 H 1 0.895 0.01 . 1 . . . A 240 VAL HG23 . 19966 1 714 . 1 1 66 66 VAL CA C 13 61.947 0.1 . 1 . . . A 240 VAL CA . 19966 1 715 . 1 1 66 66 VAL CB C 13 33.04 0.1 . 1 . . . A 240 VAL CB . 19966 1 716 . 1 1 66 66 VAL CG1 C 13 21.04 0.1 . 2 . . . A 240 VAL CG1 . 19966 1 717 . 1 1 66 66 VAL CG2 C 13 20.55 0.1 . 2 . . . A 240 VAL CG2 . 19966 1 718 . 1 1 66 66 VAL N N 15 119.468 0.1 . 1 . . . A 240 VAL N . 19966 1 719 . 1 1 67 67 SER H H 1 8.326 0.01 . 1 . . . A 241 SER H . 19966 1 720 . 1 1 67 67 SER HA H 1 4.724 0.01 . 1 . . . A 241 SER HA . 19966 1 721 . 1 1 67 67 SER HB2 H 1 3.757 0.01 . 2 . . . A 241 SER HB2 . 19966 1 722 . 1 1 67 67 SER HB3 H 1 3.757 0.01 . 2 . . . A 241 SER HB3 . 19966 1 723 . 1 1 67 67 SER CA C 13 56.209 0.1 . 1 . . . A 241 SER CA . 19966 1 724 . 1 1 67 67 SER CB C 13 63.263 0.1 . 1 . . . A 241 SER CB . 19966 1 725 . 1 1 67 67 SER N N 15 120.25 0.1 . 1 . . . A 241 SER N . 19966 1 726 . 1 1 68 68 PRO HA H 1 4.387 0.01 . 1 . . . A 242 PRO HA . 19966 1 727 . 1 1 68 68 PRO HB2 H 1 2.23 0.01 . 2 . . . A 242 PRO HB2 . 19966 1 728 . 1 1 68 68 PRO HB3 H 1 1.846 0.01 . 2 . . . A 242 PRO HB3 . 19966 1 729 . 1 1 68 68 PRO HG2 H 1 1.946 0.01 . 2 . . . A 242 PRO HG2 . 19966 1 730 . 1 1 68 68 PRO HG3 H 1 1.946 0.01 . 2 . . . A 242 PRO HG3 . 19966 1 731 . 1 1 68 68 PRO HD2 H 1 3.669 0.01 . 2 . . . A 242 PRO HD2 . 19966 1 732 . 1 1 68 68 PRO HD3 H 1 3.765 0.01 . 2 . . . A 242 PRO HD3 . 19966 1 733 . 1 1 68 68 PRO CA C 13 63.127 0.1 . 1 . . . A 242 PRO CA . 19966 1 734 . 1 1 68 68 PRO CB C 13 32.107 0.1 . 1 . . . A 242 PRO CB . 19966 1 735 . 1 1 68 68 PRO CG C 13 27.147 0.1 . 1 . . . A 242 PRO CG . 19966 1 736 . 1 1 68 68 PRO CD C 13 50.671 0.1 . 1 . . . A 242 PRO CD . 19966 1 737 . 1 1 69 69 HIS H H 1 8.297 0.01 . 1 . . . A 243 HIS H . 19966 1 738 . 1 1 69 69 HIS HA H 1 4.689 0.01 . 1 . . . A 243 HIS HA . 19966 1 739 . 1 1 69 69 HIS HB2 H 1 3.237 0.01 . 2 . . . A 243 HIS HB2 . 19966 1 740 . 1 1 69 69 HIS HB3 H 1 3.237 0.01 . 2 . . . A 243 HIS HB3 . 19966 1 741 . 1 1 69 69 HIS CA C 13 54.072 0.1 . 1 . . . A 243 HIS CA . 19966 1 742 . 1 1 69 69 HIS CB C 13 29.471 0.1 . 1 . . . A 243 HIS CB . 19966 1 743 . 1 1 69 69 HIS N N 15 117.518 0.1 . 1 . . . A 243 HIS N . 19966 1 744 . 1 1 70 70 SER H H 1 8.136 0.01 . 1 . . . A 244 SER H . 19966 1 745 . 1 1 70 70 SER CA C 13 55.641 0.1 . 1 . . . A 244 SER CA . 19966 1 746 . 1 1 70 70 SER CB C 13 64.661 0.1 . 1 . . . A 244 SER CB . 19966 1 747 . 1 1 70 70 SER N N 15 122.336 0.1 . 1 . . . A 244 SER N . 19966 1 stop_ save_