data_17600 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17600 _Entry.Title ; Solution structure of the isolated Par-6 PDZ domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-04-25 _Entry.Accession_date 2011-04-25 _Entry.Last_release_date 2011-12-01 _Entry.Original_release_date 2011-12-01 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _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 B. Volkman . F. . 17600 2 D. Whitney . S. . 17600 3 F. Peterson . C. . 17600 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' . 17600 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID allostery . 17600 Cdc42 . 17600 'cell polarity' . 17600 CRIB . 17600 GTPase . 17600 NMR . 17600 Par-6 . 17600 'PDZ domain' . 17600 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17600 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 427 17600 '15N chemical shifts' 103 17600 '1H chemical shifts' 682 17600 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 . . 2011-12-01 2011-04-25 original author . 17600 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 17599 'Solution structure of the Par-6 Q144C/L164C' 17600 PDB 2LC7 'BMRB Entry Tracking System' 17600 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 17600 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22078569 _Citation.Full_citation . _Citation.Title 'A Conformational Switch in the CRIB-PDZ Module of Par-6' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Structure _Citation.Journal_name_full . _Citation.Journal_volume 19 _Citation.Journal_issue 11 _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 1711 _Citation.Page_last 1722 _Citation.Year 2011 _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 Dustin Whitney . S. . 17600 1 2 Francis Peterson . C. . 17600 1 3 Brian Volkman . F. . 17600 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17600 _Assembly.ID 1 _Assembly.Name Par-6 _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 Par-6 1 $Par-6 A . yes native no no . . . 17600 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Par-6 _Entity.Sf_category entity _Entity.Sf_framecode Par-6 _Entity.Entry_ID 17600 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Par-6 _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 ; GSETHRRVRLLKHGSDKPLG FYIRDGTSVRVTASGLEKQP GIFISRLVPGGLAESTGLLA VNDEVIEVNGIEVAGKTLDQ VTDMMVANSSNLIITVKPAN QR ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'The N-terminal GS dipeptide is a cloning artifact.' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 102 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment Par-6 _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10926.561 _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 BMRB 17599 . Par-6 . . . . . 98.04 128 99.00 99.00 2.70e-63 . . . . 17600 1 2 no PDB 1RY4 . "Nmr Structure Of The Crib-Pdz Module Of Par-6" . . . . . 98.04 128 100.00 100.00 5.62e-64 . . . . 17600 1 3 no PDB 1RZX . "Crystal Structure Of A Par-6 Pdz-Peptide Complex" . . . . . 96.08 98 100.00 100.00 2.10e-62 . . . . 17600 1 4 no PDB 1X8S . "Structure Of The Par-6 Pdz Domain With A Pals1 Internal Ligand" . . . . . 100.00 102 100.00 100.00 1.13e-65 . . . . 17600 1 5 no PDB 2LC6 . "Solution Structure Of Par-6 Q144cL164C" . . . . . 98.04 128 99.00 99.00 2.70e-63 . . . . 17600 1 6 no PDB 2LC7 . "Solution Structure Of The Isolated Par-6 Pdz Domain" . . . . . 100.00 102 100.00 100.00 1.13e-65 . . . . 17600 1 7 no GB AAD15927 . "PAR-6 [Drosophila melanogaster]" . . . . . 98.04 351 100.00 100.00 6.99e-62 . . . . 17600 1 8 no GB AAF48757 . "par-6, isoform A [Drosophila melanogaster]" . . . . . 98.04 351 100.00 100.00 6.99e-62 . . . . 17600 1 9 no GB AAL28917 . "LD29223p [Drosophila melanogaster]" . . . . . 98.04 351 100.00 100.00 6.99e-62 . . . . 17600 1 10 no GB AAN09592 . "par-6, isoform B [Drosophila melanogaster]" . . . . . 98.04 351 100.00 100.00 6.99e-62 . . . . 17600 1 11 no GB ACL90845 . "par-6-PA [synthetic construct]" . . . . . 98.04 351 100.00 100.00 6.99e-62 . . . . 17600 1 12 no REF NP_573238 . "par-6, isoform A [Drosophila melanogaster]" . . . . . 98.04 351 100.00 100.00 6.99e-62 . . . . 17600 1 13 no REF NP_728094 . "par-6, isoform B [Drosophila melanogaster]" . . . . . 98.04 351 100.00 100.00 6.99e-62 . . . . 17600 1 14 no REF XP_001355305 . "GA19201 [Drosophila pseudoobscura pseudoobscura]" . . . . . 98.04 357 99.00 100.00 3.12e-61 . . . . 17600 1 15 no REF XP_001963708 . "GF21116 [Drosophila ananassae]" . . . . . 98.04 355 100.00 100.00 6.52e-62 . . . . 17600 1 16 no REF XP_001977590 . "GG19128 [Drosophila erecta]" . . . . . 98.04 351 100.00 100.00 9.54e-62 . . . . 17600 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 154 GLY . 17600 1 2 155 SER . 17600 1 3 156 GLU . 17600 1 4 157 THR . 17600 1 5 158 HIS . 17600 1 6 159 ARG . 17600 1 7 160 ARG . 17600 1 8 161 VAL . 17600 1 9 162 ARG . 17600 1 10 163 LEU . 17600 1 11 164 LEU . 17600 1 12 165 LYS . 17600 1 13 166 HIS . 17600 1 14 167 GLY . 17600 1 15 168 SER . 17600 1 16 169 ASP . 17600 1 17 170 LYS . 17600 1 18 171 PRO . 17600 1 19 172 LEU . 17600 1 20 173 GLY . 17600 1 21 174 PHE . 17600 1 22 175 TYR . 17600 1 23 176 ILE . 17600 1 24 177 ARG . 17600 1 25 178 ASP . 17600 1 26 179 GLY . 17600 1 27 180 THR . 17600 1 28 181 SER . 17600 1 29 182 VAL . 17600 1 30 183 ARG . 17600 1 31 184 VAL . 17600 1 32 185 THR . 17600 1 33 186 ALA . 17600 1 34 187 SER . 17600 1 35 188 GLY . 17600 1 36 189 LEU . 17600 1 37 190 GLU . 17600 1 38 191 LYS . 17600 1 39 192 GLN . 17600 1 40 193 PRO . 17600 1 41 194 GLY . 17600 1 42 195 ILE . 17600 1 43 196 PHE . 17600 1 44 197 ILE . 17600 1 45 198 SER . 17600 1 46 199 ARG . 17600 1 47 200 LEU . 17600 1 48 201 VAL . 17600 1 49 202 PRO . 17600 1 50 203 GLY . 17600 1 51 204 GLY . 17600 1 52 205 LEU . 17600 1 53 206 ALA . 17600 1 54 207 GLU . 17600 1 55 208 SER . 17600 1 56 209 THR . 17600 1 57 210 GLY . 17600 1 58 211 LEU . 17600 1 59 212 LEU . 17600 1 60 213 ALA . 17600 1 61 214 VAL . 17600 1 62 215 ASN . 17600 1 63 216 ASP . 17600 1 64 217 GLU . 17600 1 65 218 VAL . 17600 1 66 219 ILE . 17600 1 67 220 GLU . 17600 1 68 221 VAL . 17600 1 69 222 ASN . 17600 1 70 223 GLY . 17600 1 71 224 ILE . 17600 1 72 225 GLU . 17600 1 73 226 VAL . 17600 1 74 227 ALA . 17600 1 75 228 GLY . 17600 1 76 229 LYS . 17600 1 77 230 THR . 17600 1 78 231 LEU . 17600 1 79 232 ASP . 17600 1 80 233 GLN . 17600 1 81 234 VAL . 17600 1 82 235 THR . 17600 1 83 236 ASP . 17600 1 84 237 MET . 17600 1 85 238 MET . 17600 1 86 239 VAL . 17600 1 87 240 ALA . 17600 1 88 241 ASN . 17600 1 89 242 SER . 17600 1 90 243 SER . 17600 1 91 244 ASN . 17600 1 92 245 LEU . 17600 1 93 246 ILE . 17600 1 94 247 ILE . 17600 1 95 248 THR . 17600 1 96 249 VAL . 17600 1 97 250 LYS . 17600 1 98 251 PRO . 17600 1 99 252 ALA . 17600 1 100 253 ASN . 17600 1 101 254 GLN . 17600 1 102 255 ARG . 17600 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 17600 1 . SER 2 2 17600 1 . GLU 3 3 17600 1 . THR 4 4 17600 1 . HIS 5 5 17600 1 . ARG 6 6 17600 1 . ARG 7 7 17600 1 . VAL 8 8 17600 1 . ARG 9 9 17600 1 . LEU 10 10 17600 1 . LEU 11 11 17600 1 . LYS 12 12 17600 1 . HIS 13 13 17600 1 . GLY 14 14 17600 1 . SER 15 15 17600 1 . ASP 16 16 17600 1 . LYS 17 17 17600 1 . PRO 18 18 17600 1 . LEU 19 19 17600 1 . GLY 20 20 17600 1 . PHE 21 21 17600 1 . TYR 22 22 17600 1 . ILE 23 23 17600 1 . ARG 24 24 17600 1 . ASP 25 25 17600 1 . GLY 26 26 17600 1 . THR 27 27 17600 1 . SER 28 28 17600 1 . VAL 29 29 17600 1 . ARG 30 30 17600 1 . VAL 31 31 17600 1 . THR 32 32 17600 1 . ALA 33 33 17600 1 . SER 34 34 17600 1 . GLY 35 35 17600 1 . LEU 36 36 17600 1 . GLU 37 37 17600 1 . LYS 38 38 17600 1 . GLN 39 39 17600 1 . PRO 40 40 17600 1 . GLY 41 41 17600 1 . ILE 42 42 17600 1 . PHE 43 43 17600 1 . ILE 44 44 17600 1 . SER 45 45 17600 1 . ARG 46 46 17600 1 . LEU 47 47 17600 1 . VAL 48 48 17600 1 . PRO 49 49 17600 1 . GLY 50 50 17600 1 . GLY 51 51 17600 1 . LEU 52 52 17600 1 . ALA 53 53 17600 1 . GLU 54 54 17600 1 . SER 55 55 17600 1 . THR 56 56 17600 1 . GLY 57 57 17600 1 . LEU 58 58 17600 1 . LEU 59 59 17600 1 . ALA 60 60 17600 1 . VAL 61 61 17600 1 . ASN 62 62 17600 1 . ASP 63 63 17600 1 . GLU 64 64 17600 1 . VAL 65 65 17600 1 . ILE 66 66 17600 1 . GLU 67 67 17600 1 . VAL 68 68 17600 1 . ASN 69 69 17600 1 . GLY 70 70 17600 1 . ILE 71 71 17600 1 . GLU 72 72 17600 1 . VAL 73 73 17600 1 . ALA 74 74 17600 1 . GLY 75 75 17600 1 . LYS 76 76 17600 1 . THR 77 77 17600 1 . LEU 78 78 17600 1 . ASP 79 79 17600 1 . GLN 80 80 17600 1 . VAL 81 81 17600 1 . THR 82 82 17600 1 . ASP 83 83 17600 1 . MET 84 84 17600 1 . MET 85 85 17600 1 . VAL 86 86 17600 1 . ALA 87 87 17600 1 . ASN 88 88 17600 1 . SER 89 89 17600 1 . SER 90 90 17600 1 . ASN 91 91 17600 1 . LEU 92 92 17600 1 . ILE 93 93 17600 1 . ILE 94 94 17600 1 . THR 95 95 17600 1 . VAL 96 96 17600 1 . LYS 97 97 17600 1 . PRO 98 98 17600 1 . ALA 99 99 17600 1 . ASN 100 100 17600 1 . GLN 101 101 17600 1 . ARG 102 102 17600 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 17600 _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 $Par-6 . 7227 organism . 'Drosophila melanogaster' 'fruit fly' . . Eukaryota Metazoa Drosophila melanogaster . . . . . . . . . . . . . . . . Par-6 . . . . 17600 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 17600 _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 $Par-6 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pBH4 . . . . . . 17600 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample _Sample.Sf_category sample _Sample.Sf_framecode sample _Sample.Entry_ID 17600 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.0 mM Par-6 (156-255) U-15N/13C, 20 mM sodium phosphate, 50 mM sodium chloride' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O, 10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Par-6 '[U-100% 13C; U-100% 15N]' . . 1 $Par-6 . . 1 . . mM . . . . 17600 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 17600 1 3 'potassium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 17600 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 17600 _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' 53 . mM 17600 1 pH 5.5 . pH 17600 1 pressure 1 . atm 17600 1 temperature 298 . K 17600 1 stop_ save_ ############################ # Computer software used # ############################ save_Xplor-NIH _Software.Sf_category software _Software.Sf_framecode Xplor-NIH _Software.Entry_ID 17600 _Software.ID 1 _Software.Name 'X-PLOR NIH' _Software.Version 2.9.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID SCHWIETERS,C.D.,KUSZEWSKI,J.J.,TJANDRA,N.,CLORE,G.M. . . 17600 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 17600 1 stop_ save_ save_TopSpin _Software.Sf_category software _Software.Sf_framecode TopSpin _Software.Entry_ID 17600 _Software.ID 2 _Software.Name TOPSPIN _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 17600 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17600 2 stop_ save_ save_nmrPipe _Software.Sf_category software _Software.Sf_framecode nmrPipe _Software.Entry_ID 17600 _Software.ID 3 _Software.Name NMRPipe _Software.Version 2007 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delagio,F. et al.' . . 17600 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17600 3 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 17600 _Software.ID 4 _Software.Name XEASY _Software.Version 1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Eccles, C., Guntert, P., Billeter, M., Wuthrich, K.' . . 17600 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17600 4 stop_ save_ save_GARANT _Software.Sf_category software _Software.Sf_framecode GARANT _Software.Entry_ID 17600 _Software.ID 5 _Software.Name GARANT _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'C. Bartels' . . 17600 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17600 5 stop_ save_ save_Cyana _Software.Sf_category software _Software.Sf_framecode Cyana _Software.Entry_ID 17600 _Software.ID 6 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 17600 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structural calculation' 17600 6 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 17600 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance II' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17600 _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 II' . 600 . . . 17600 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 17600 _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 3D_15N-separated_NOESY no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17600 1 2 3D_13C-separated_NOESY no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17600 1 3 '3D_13C-separated_NOESY (AROMATIC)' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17600 1 stop_ save_ save_NMR_spectrometer_expt _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt _NMR_spec_expt.Entry_ID 17600 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . 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 17600 _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 0.00 . indirect 0.251449530 . . . . . . . . . 17600 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17600 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 17600 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 17600 _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 0.02 _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 3D_15N-separated_NOESY . . . 17600 1 2 3D_13C-separated_NOESY . . . 17600 1 3 '3D_13C-separated_NOESY (AROMATIC)' . . . 17600 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 GLU H H 1 8.479 0.02 . 1 . . . . 156 GLU H . 17600 1 2 . 1 1 3 3 GLU HA H 1 4.382 0.02 . 1 . . . A 156 GLU HA . 17600 1 3 . 1 1 3 3 GLU HB2 H 1 2.085 0.02 . 2 . . . . 156 GLU HB2 . 17600 1 4 . 1 1 3 3 GLU HB3 H 1 1.958 0.02 . 2 . . . . 156 GLU HB3 . 17600 1 5 . 1 1 3 3 GLU HG2 H 1 2.339 0.02 . 2 . . . . 156 GLU HG2 . 17600 1 6 . 1 1 3 3 GLU HG3 H 1 2.226 0.02 . 2 . . . . 156 GLU HG3 . 17600 1 7 . 1 1 3 3 GLU C C 13 176.666 0.1 . 1 . . . A 156 GLU C . 17600 1 8 . 1 1 3 3 GLU CA C 13 57.276 0.1 . 1 . . . A 156 GLU CA . 17600 1 9 . 1 1 3 3 GLU CB C 13 29.982 0.1 . 1 . . . A 156 GLU CB . 17600 1 10 . 1 1 3 3 GLU CG C 13 36.644 0.1 . 1 . . . A 156 GLU CG . 17600 1 11 . 1 1 4 4 THR H H 1 8.218 0.02 . 1 . . . . 157 THR H . 17600 1 12 . 1 1 4 4 THR HA H 1 4.268 0.02 . 1 . . . A 157 THR HA . 17600 1 13 . 1 1 4 4 THR HB H 1 4.222 0.02 . 1 . . . A 157 THR HB . 17600 1 14 . 1 1 4 4 THR HG21 H 1 1.201 0.02 . 1 . . . . 157 THR QG2 . 17600 1 15 . 1 1 4 4 THR HG22 H 1 1.201 0.02 . 1 . . . . 157 THR QG2 . 17600 1 16 . 1 1 4 4 THR HG23 H 1 1.201 0.02 . 1 . . . . 157 THR QG2 . 17600 1 17 . 1 1 4 4 THR C C 13 174.343 0.1 . 1 . . . A 157 THR C . 17600 1 18 . 1 1 4 4 THR CA C 13 62.584 0.1 . 1 . . . A 157 THR CA . 17600 1 19 . 1 1 4 4 THR CB C 13 70.029 0.1 . 1 . . . A 157 THR CB . 17600 1 20 . 1 1 4 4 THR CG2 C 13 22.121 0.1 . 1 . . . A 157 THR CG2 . 17600 1 21 . 1 1 4 4 THR N N 15 114.607 0.1 . 1 . . . A 157 THR N . 17600 1 22 . 1 1 5 5 HIS H H 1 9.076 0.02 . 1 . . . . 158 HIS H . 17600 1 23 . 1 1 5 5 HIS HA H 1 5.216 0.02 . 1 . . . A 158 HIS HA . 17600 1 24 . 1 1 5 5 HIS HB2 H 1 2.978 0.02 . 2 . . . . 158 HIS HB2 . 17600 1 25 . 1 1 5 5 HIS HB3 H 1 2.864 0.02 . 2 . . . . 158 HIS HB3 . 17600 1 26 . 1 1 5 5 HIS HD2 H 1 6.800 0.02 . 1 . . . . 158 HIS HD2 . 17600 1 27 . 1 1 5 5 HIS HE1 H 1 7.965 0.02 . 1 . . . . 158 HIS HE1 . 17600 1 28 . 1 1 5 5 HIS C C 13 174.859 0.1 . 1 . . . A 158 HIS C . 17600 1 29 . 1 1 5 5 HIS CA C 13 54.879 0.1 . 1 . . . A 158 HIS CA . 17600 1 30 . 1 1 5 5 HIS CB C 13 32.161 0.1 . 1 . . . A 158 HIS CB . 17600 1 31 . 1 1 5 5 HIS CD2 C 13 119.102 0.1 . 1 . . . A 158 HIS CD2 . 17600 1 32 . 1 1 5 5 HIS CE1 C 13 138.523 0.1 . 1 . . . A 158 HIS CE1 . 17600 1 33 . 1 1 5 5 HIS N N 15 121.152 0.1 . 1 . . . A 158 HIS N . 17600 1 34 . 1 1 6 6 ARG H H 1 9.083 0.02 . 1 . . . . 159 ARG H . 17600 1 35 . 1 1 6 6 ARG HA H 1 4.712 0.02 . 1 . . . A 159 ARG HA . 17600 1 36 . 1 1 6 6 ARG HB2 H 1 1.726 0.02 . 1 . . . . 159 ARG HB2 . 17600 1 37 . 1 1 6 6 ARG HB3 H 1 1.726 0.02 . 1 . . . . 159 ARG HB3 . 17600 1 38 . 1 1 6 6 ARG HG2 H 1 1.547 0.02 . 1 . . . . 159 ARG HG2 . 17600 1 39 . 1 1 6 6 ARG HG3 H 1 1.547 0.02 . 1 . . . . 159 ARG HG3 . 17600 1 40 . 1 1 6 6 ARG HD2 H 1 3.240 0.02 . 2 . . . . 159 ARG HD2 . 17600 1 41 . 1 1 6 6 ARG HD3 H 1 3.065 0.02 . 2 . . . . 159 ARG HD3 . 17600 1 42 . 1 1 6 6 ARG CA C 13 55.193 0.1 . 1 . . . A 159 ARG CA . 17600 1 43 . 1 1 6 6 ARG CB C 13 33.775 0.1 . 1 . . . A 159 ARG CB . 17600 1 44 . 1 1 6 6 ARG CG C 13 27.405 0.1 . 1 . . . A 159 ARG CG . 17600 1 45 . 1 1 6 6 ARG CD C 13 44.111 0.1 . 1 . . . A 159 ARG CD . 17600 1 46 . 1 1 6 6 ARG N N 15 120.983 0.1 . 1 . . . A 159 ARG N . 17600 1 47 . 1 1 7 7 ARG H H 1 8.813 0.02 . 1 . . . . 160 ARG H . 17600 1 48 . 1 1 7 7 ARG HA H 1 4.924 0.02 . 1 . . . A 160 ARG HA . 17600 1 49 . 1 1 7 7 ARG CA C 13 56.110 0.1 . 1 . . . A 160 ARG CA . 17600 1 50 . 1 1 7 7 ARG CB C 13 31.655 0.1 . 1 . . . A 160 ARG CB . 17600 1 51 . 1 1 7 7 ARG CG C 13 28.358 0.1 . 1 . . . A 160 ARG CG . 17600 1 52 . 1 1 7 7 ARG CD C 13 44.614 0.1 . 1 . . . A 160 ARG CD . 17600 1 53 . 1 1 7 7 ARG N N 15 125.886 0.1 . 1 . . . A 160 ARG N . 17600 1 54 . 1 1 8 8 VAL H H 1 9.257 0.02 . 1 . . . . 161 VAL H . 17600 1 55 . 1 1 8 8 VAL HA H 1 4.183 0.02 . 1 . . . A 161 VAL HA . 17600 1 56 . 1 1 8 8 VAL HB H 1 1.951 0.02 . 1 . . . A 161 VAL HB . 17600 1 57 . 1 1 8 8 VAL HG11 H 1 0.802 0.02 . 1 . . . . 161 VAL QG1 . 17600 1 58 . 1 1 8 8 VAL HG12 H 1 0.802 0.02 . 1 . . . . 161 VAL QG1 . 17600 1 59 . 1 1 8 8 VAL HG13 H 1 0.802 0.02 . 1 . . . . 161 VAL QG1 . 17600 1 60 . 1 1 8 8 VAL C C 13 173.937 0.1 . 1 . . . A 161 VAL C . 17600 1 61 . 1 1 8 8 VAL CA C 13 61.937 0.1 . 1 . . . A 161 VAL CA . 17600 1 62 . 1 1 8 8 VAL CB C 13 34.678 0.1 . 1 . . . A 161 VAL CB . 17600 1 63 . 1 1 8 8 VAL CG1 C 13 21.150 0.1 . 1 . . . A 161 VAL CG1 . 17600 1 64 . 1 1 8 8 VAL CG2 C 13 21.150 0.1 . 1 . . . A 161 VAL CG2 . 17600 1 65 . 1 1 8 8 VAL N N 15 126.215 0.1 . 1 . . . A 161 VAL N . 17600 1 66 . 1 1 9 9 ARG H H 1 8.605 0.02 . 1 . . . . 162 ARG H . 17600 1 67 . 1 1 9 9 ARG HA H 1 4.861 0.02 . 1 . . . A 162 ARG HA . 17600 1 68 . 1 1 9 9 ARG HB2 H 1 1.798 0.02 . 2 . . . . 162 ARG HB2 . 17600 1 69 . 1 1 9 9 ARG HB3 H 1 1.686 0.02 . 2 . . . . 162 ARG HB3 . 17600 1 70 . 1 1 9 9 ARG HG2 H 1 1.611 0.02 . 2 . . . . 162 ARG HG2 . 17600 1 71 . 1 1 9 9 ARG HG3 H 1 1.422 0.02 . 2 . . . . 162 ARG HG3 . 17600 1 72 . 1 1 9 9 ARG HD2 H 1 3.206 0.02 . 1 . . . . 162 ARG HD2 . 17600 1 73 . 1 1 9 9 ARG HD3 H 1 3.206 0.02 . 1 . . . . 162 ARG HD3 . 17600 1 74 . 1 1 9 9 ARG CA C 13 55.504 0.1 . 1 . . . A 162 ARG CA . 17600 1 75 . 1 1 9 9 ARG CB C 13 31.670 0.1 . 1 . . . A 162 ARG CB . 17600 1 76 . 1 1 9 9 ARG CG C 13 27.880 0.1 . 1 . . . A 162 ARG CG . 17600 1 77 . 1 1 9 9 ARG CD C 13 43.932 0.1 . 1 . . . A 162 ARG CD . 17600 1 78 . 1 1 9 9 ARG N N 15 127.598 0.1 . 1 . . . A 162 ARG N . 17600 1 79 . 1 1 10 10 LEU H H 1 8.897 0.02 . 1 . . . . 163 LEU H . 17600 1 80 . 1 1 10 10 LEU HA H 1 4.546 0.02 . 1 . . . A 163 LEU HA . 17600 1 81 . 1 1 10 10 LEU HB2 H 1 1.722 0.02 . 2 . . . . 163 LEU HB2 . 17600 1 82 . 1 1 10 10 LEU HB3 H 1 1.445 0.02 . 2 . . . . 163 LEU HB3 . 17600 1 83 . 1 1 10 10 LEU HG H 1 1.506 0.02 . 1 . . . A 163 LEU HG . 17600 1 84 . 1 1 10 10 LEU HD11 H 1 0.792 0.02 . 2 . . . . 163 LEU QD1 . 17600 1 85 . 1 1 10 10 LEU HD12 H 1 0.792 0.02 . 2 . . . . 163 LEU QD1 . 17600 1 86 . 1 1 10 10 LEU HD13 H 1 0.792 0.02 . 2 . . . . 163 LEU QD1 . 17600 1 87 . 1 1 10 10 LEU HD21 H 1 0.760 0.02 . 2 . . . . 163 LEU QD2 . 17600 1 88 . 1 1 10 10 LEU HD22 H 1 0.760 0.02 . 2 . . . . 163 LEU QD2 . 17600 1 89 . 1 1 10 10 LEU HD23 H 1 0.760 0.02 . 2 . . . . 163 LEU QD2 . 17600 1 90 . 1 1 10 10 LEU C C 13 174.693 0.1 . 1 . . . A 163 LEU C . 17600 1 91 . 1 1 10 10 LEU CA C 13 53.844 0.1 . 1 . . . A 163 LEU CA . 17600 1 92 . 1 1 10 10 LEU CB C 13 42.507 0.1 . 1 . . . A 163 LEU CB . 17600 1 93 . 1 1 10 10 LEU CG C 13 27.654 0.1 . 1 . . . A 163 LEU CG . 17600 1 94 . 1 1 10 10 LEU CD1 C 13 26.653 0.1 . 1 . . . A 163 LEU CD1 . 17600 1 95 . 1 1 10 10 LEU CD2 C 13 25.358 0.1 . 1 . . . A 163 LEU CD2 . 17600 1 96 . 1 1 10 10 LEU N N 15 128.544 0.1 . 1 . . . A 163 LEU N . 17600 1 97 . 1 1 11 11 LEU H H 1 7.945 0.02 . 1 . . . . 164 LEU H . 17600 1 98 . 1 1 11 11 LEU HA H 1 4.456 0.02 . 1 . . . A 164 LEU HA . 17600 1 99 . 1 1 11 11 LEU HB2 H 1 1.511 0.02 . 2 . . . . 164 LEU HB2 . 17600 1 100 . 1 1 11 11 LEU HB3 H 1 1.420 0.02 . 2 . . . . 164 LEU HB3 . 17600 1 101 . 1 1 11 11 LEU HD11 H 1 0.874 0.02 . 2 . . . . 164 LEU QD1 . 17600 1 102 . 1 1 11 11 LEU HD12 H 1 0.874 0.02 . 2 . . . . 164 LEU QD1 . 17600 1 103 . 1 1 11 11 LEU HD13 H 1 0.874 0.02 . 2 . . . . 164 LEU QD1 . 17600 1 104 . 1 1 11 11 LEU HD21 H 1 0.876 0.02 . 2 . . . . 164 LEU QD2 . 17600 1 105 . 1 1 11 11 LEU HD22 H 1 0.876 0.02 . 2 . . . . 164 LEU QD2 . 17600 1 106 . 1 1 11 11 LEU HD23 H 1 0.876 0.02 . 2 . . . . 164 LEU QD2 . 17600 1 107 . 1 1 11 11 LEU C C 13 176.205 0.1 . 1 . . . A 164 LEU C . 17600 1 108 . 1 1 11 11 LEU CA C 13 54.699 0.1 . 1 . . . A 164 LEU CA . 17600 1 109 . 1 1 11 11 LEU CB C 13 42.838 0.1 . 1 . . . A 164 LEU CB . 17600 1 110 . 1 1 11 11 LEU CG C 13 27.814 0.1 . 1 . . . A 164 LEU CG . 17600 1 111 . 1 1 11 11 LEU CD1 C 13 25.011 0.1 . 1 . . . A 164 LEU CD1 . 17600 1 112 . 1 1 11 11 LEU CD2 C 13 24.711 0.1 . 1 . . . A 164 LEU CD2 . 17600 1 113 . 1 1 11 11 LEU N N 15 122.987 0.1 . 1 . . . A 164 LEU N . 17600 1 114 . 1 1 12 12 LYS H H 1 8.295 0.02 . 1 . . . . 165 LYS H . 17600 1 115 . 1 1 12 12 LYS HA H 1 4.227 0.02 . 1 . . . A 165 LYS HA . 17600 1 116 . 1 1 12 12 LYS HB2 H 1 1.931 0.02 . 2 . . . . 165 LYS HB2 . 17600 1 117 . 1 1 12 12 LYS HB3 H 1 1.768 0.02 . 2 . . . . 165 LYS HB3 . 17600 1 118 . 1 1 12 12 LYS HG2 H 1 1.512 0.02 . 2 . . . . 165 LYS HG2 . 17600 1 119 . 1 1 12 12 LYS HG3 H 1 1.404 0.02 . 2 . . . . 165 LYS HG3 . 17600 1 120 . 1 1 12 12 LYS HD2 H 1 1.717 0.02 . 1 . . . . 165 LYS HD2 . 17600 1 121 . 1 1 12 12 LYS HD3 H 1 1.717 0.02 . 1 . . . . 165 LYS HD3 . 17600 1 122 . 1 1 12 12 LYS HE2 H 1 3.006 0.02 . 1 . . . . 165 LYS HE2 . 17600 1 123 . 1 1 12 12 LYS HE3 H 1 3.006 0.02 . 1 . . . . 165 LYS HE3 . 17600 1 124 . 1 1 12 12 LYS C C 13 176.869 0.1 . 1 . . . A 165 LYS C . 17600 1 125 . 1 1 12 12 LYS CA C 13 57.405 0.1 . 1 . . . A 165 LYS CA . 17600 1 126 . 1 1 12 12 LYS CB C 13 34.042 0.1 . 1 . . . A 165 LYS CB . 17600 1 127 . 1 1 12 12 LYS CG C 13 25.366 0.1 . 1 . . . A 165 LYS CG . 17600 1 128 . 1 1 12 12 LYS CD C 13 29.890 0.1 . 1 . . . A 165 LYS CD . 17600 1 129 . 1 1 12 12 LYS CE C 13 42.515 0.1 . 1 . . . A 165 LYS CE . 17600 1 130 . 1 1 12 12 LYS N N 15 122.727 0.1 . 1 . . . A 165 LYS N . 17600 1 131 . 1 1 13 13 HIS H H 1 8.613 0.02 . 1 . . . . 166 HIS H . 17600 1 132 . 1 1 13 13 HIS HA H 1 4.579 0.02 . 1 . . . A 166 HIS HA . 17600 1 133 . 1 1 13 13 HIS HB2 H 1 3.252 0.02 . 2 . . . . 166 HIS HB2 . 17600 1 134 . 1 1 13 13 HIS HB3 H 1 3.152 0.02 . 2 . . . . 166 HIS HB3 . 17600 1 135 . 1 1 13 13 HIS HD2 H 1 7.160 0.02 . 1 . . . . 166 HIS HD2 . 17600 1 136 . 1 1 13 13 HIS HE1 H 1 8.221 0.02 . 1 . . . . 166 HIS HE1 . 17600 1 137 . 1 1 13 13 HIS C C 13 175.449 0.1 . 1 . . . A 166 HIS C . 17600 1 138 . 1 1 13 13 HIS CA C 13 56.636 0.1 . 1 . . . A 166 HIS CA . 17600 1 139 . 1 1 13 13 HIS CB C 13 29.690 0.1 . 1 . . . A 166 HIS CB . 17600 1 140 . 1 1 13 13 HIS CD2 C 13 120.397 0.1 . 1 . . . A 166 HIS CD2 . 17600 1 141 . 1 1 13 13 HIS CE1 C 13 137.488 0.1 . 1 . . . A 166 HIS CE1 . 17600 1 142 . 1 1 13 13 HIS N N 15 119.897 0.1 . 1 . . . A 166 HIS N . 17600 1 143 . 1 1 14 14 GLY H H 1 8.506 0.02 . 1 . . . . 167 GLY H . 17600 1 144 . 1 1 14 14 GLY HA2 H 1 4.111 0.02 . 2 . . . . 167 GLY HA2 . 17600 1 145 . 1 1 14 14 GLY HA3 H 1 3.821 0.02 . 2 . . . . 167 GLY HA3 . 17600 1 146 . 1 1 14 14 GLY C C 13 174.302 0.1 . 1 . . . A 167 GLY C . 17600 1 147 . 1 1 14 14 GLY CA C 13 46.091 0.1 . 1 . . . A 167 GLY CA . 17600 1 148 . 1 1 14 14 GLY N N 15 110.028 0.1 . 1 . . . A 167 GLY N . 17600 1 149 . 1 1 15 15 SER H H 1 8.199 0.02 . 1 . . . . 168 SER H . 17600 1 150 . 1 1 15 15 SER HA H 1 4.502 0.02 . 1 . . . A 168 SER HA . 17600 1 151 . 1 1 15 15 SER HB2 H 1 3.982 0.02 . 2 . . . . 168 SER HB2 . 17600 1 152 . 1 1 15 15 SER HB3 H 1 3.882 0.02 . 2 . . . . 168 SER HB3 . 17600 1 153 . 1 1 15 15 SER C C 13 174.488 0.1 . 1 . . . A 168 SER C . 17600 1 154 . 1 1 15 15 SER CA C 13 58.645 0.1 . 1 . . . A 168 SER CA . 17600 1 155 . 1 1 15 15 SER CB C 13 64.961 0.1 . 1 . . . A 168 SER CB . 17600 1 156 . 1 1 15 15 SER N N 15 115.749 0.1 . 1 . . . A 168 SER N . 17600 1 157 . 1 1 16 16 ASP H H 1 8.596 0.02 . 1 . . . . 169 ASP H . 17600 1 158 . 1 1 16 16 ASP HA H 1 4.652 0.02 . 1 . . . A 169 ASP HA . 17600 1 159 . 1 1 16 16 ASP HB2 H 1 2.734 0.02 . 1 . . . . 169 ASP HB2 . 17600 1 160 . 1 1 16 16 ASP HB3 H 1 2.734 0.02 . 1 . . . . 169 ASP HB3 . 17600 1 161 . 1 1 16 16 ASP C C 13 176.177 0.1 . 1 . . . A 169 ASP C . 17600 1 162 . 1 1 16 16 ASP CA C 13 54.389 0.1 . 1 . . . A 169 ASP CA . 17600 1 163 . 1 1 16 16 ASP CB C 13 40.896 0.1 . 1 . . . A 169 ASP CB . 17600 1 164 . 1 1 16 16 ASP N N 15 121.837 0.1 . 1 . . . A 169 ASP N . 17600 1 165 . 1 1 17 17 LYS H H 1 7.828 0.02 . 1 . . . . 170 LYS H . 17600 1 166 . 1 1 17 17 LYS HA H 1 4.614 0.02 . 1 . . . A 170 LYS HA . 17600 1 167 . 1 1 17 17 LYS HB2 H 1 1.826 0.02 . 2 . . . . 170 LYS HB2 . 17600 1 168 . 1 1 17 17 LYS HB3 H 1 1.685 0.02 . 2 . . . . 170 LYS HB3 . 17600 1 169 . 1 1 17 17 LYS HG2 H 1 1.531 0.02 . 1 . . . . 170 LYS HG2 . 17600 1 170 . 1 1 17 17 LYS HG3 H 1 1.531 0.02 . 1 . . . . 170 LYS HG3 . 17600 1 171 . 1 1 17 17 LYS HD2 H 1 1.659 0.02 . 1 . . . . 170 LYS HD2 . 17600 1 172 . 1 1 17 17 LYS HD3 H 1 1.659 0.02 . 1 . . . . 170 LYS HD3 . 17600 1 173 . 1 1 17 17 LYS HE2 H 1 3.032 0.02 . 1 . . . . 170 LYS HE2 . 17600 1 174 . 1 1 17 17 LYS HE3 H 1 3.032 0.02 . 1 . . . . 170 LYS HE3 . 17600 1 175 . 1 1 17 17 LYS C C 13 174.059 0.1 . 1 . . . A 170 LYS C . 17600 1 176 . 1 1 17 17 LYS CA C 13 54.595 0.1 . 1 . . . A 170 LYS CA . 17600 1 177 . 1 1 17 17 LYS CB C 13 33.458 0.1 . 1 . . . A 170 LYS CB . 17600 1 178 . 1 1 17 17 LYS CG C 13 25.366 0.1 . 1 . . . A 170 LYS CG . 17600 1 179 . 1 1 17 17 LYS CD C 13 29.566 0.1 . 1 . . . A 170 LYS CD . 17600 1 180 . 1 1 17 17 LYS CE C 13 42.515 0.1 . 1 . . . A 170 LYS CE . 17600 1 181 . 1 1 17 17 LYS N N 15 121.391 0.1 . 1 . . . A 170 LYS N . 17600 1 182 . 1 1 18 18 PRO HA H 1 4.555 0.02 . 1 . . . A 171 PRO HA . 17600 1 183 . 1 1 18 18 PRO HB2 H 1 2.344 0.02 . 2 . . . . 171 PRO HB2 . 17600 1 184 . 1 1 18 18 PRO HB3 H 1 1.946 0.02 . 2 . . . . 171 PRO HB3 . 17600 1 185 . 1 1 18 18 PRO HG2 H 1 2.093 0.02 . 2 . . . . 171 PRO HG2 . 17600 1 186 . 1 1 18 18 PRO HG3 H 1 1.931 0.02 . 2 . . . . 171 PRO HG3 . 17600 1 187 . 1 1 18 18 PRO HD2 H 1 3.855 0.02 . 2 . . . . 171 PRO HD2 . 17600 1 188 . 1 1 18 18 PRO HD3 H 1 3.652 0.02 . 2 . . . . 171 PRO HD3 . 17600 1 189 . 1 1 18 18 PRO C C 13 177.179 0.1 . 1 . . . A 171 PRO C . 17600 1 190 . 1 1 18 18 PRO CA C 13 62.240 0.1 . 1 . . . A 171 PRO CA . 17600 1 191 . 1 1 18 18 PRO CB C 13 32.480 0.1 . 1 . . . A 171 PRO CB . 17600 1 192 . 1 1 18 18 PRO CG C 13 27.624 0.1 . 1 . . . A 171 PRO CG . 17600 1 193 . 1 1 18 18 PRO CD C 13 50.604 0.1 . 1 . . . A 171 PRO CD . 17600 1 194 . 1 1 19 19 LEU H H 1 8.708 0.02 . 1 . . . . 172 LEU H . 17600 1 195 . 1 1 19 19 LEU HA H 1 4.011 0.02 . 1 . . . A 172 LEU HA . 17600 1 196 . 1 1 19 19 LEU HB2 H 1 1.720 0.02 . 2 . . . . 172 LEU HB2 . 17600 1 197 . 1 1 19 19 LEU HB3 H 1 1.398 0.02 . 2 . . . . 172 LEU HB3 . 17600 1 198 . 1 1 19 19 LEU HG H 1 1.763 0.02 . 1 . . . A 172 LEU HG . 17600 1 199 . 1 1 19 19 LEU HD11 H 1 0.887 0.02 . 2 . . . . 172 LEU QD1 . 17600 1 200 . 1 1 19 19 LEU HD12 H 1 0.887 0.02 . 2 . . . . 172 LEU QD1 . 17600 1 201 . 1 1 19 19 LEU HD13 H 1 0.887 0.02 . 2 . . . . 172 LEU QD1 . 17600 1 202 . 1 1 19 19 LEU HD21 H 1 0.892 0.02 . 2 . . . . 172 LEU QD2 . 17600 1 203 . 1 1 19 19 LEU HD22 H 1 0.892 0.02 . 2 . . . . 172 LEU QD2 . 17600 1 204 . 1 1 19 19 LEU HD23 H 1 0.892 0.02 . 2 . . . . 172 LEU QD2 . 17600 1 205 . 1 1 19 19 LEU C C 13 179.397 0.1 . 1 . . . A 172 LEU C . 17600 1 206 . 1 1 19 19 LEU CA C 13 58.533 0.1 . 1 . . . A 172 LEU CA . 17600 1 207 . 1 1 19 19 LEU CB C 13 42.199 0.1 . 1 . . . A 172 LEU CB . 17600 1 208 . 1 1 19 19 LEU CG C 13 27.300 0.1 . 1 . . . A 172 LEU CG . 17600 1 209 . 1 1 19 19 LEU CD1 C 13 24.072 0.1 . 1 . . . A 172 LEU CD1 . 17600 1 210 . 1 1 19 19 LEU CD2 C 13 24.072 0.1 . 1 . . . A 172 LEU CD2 . 17600 1 211 . 1 1 19 19 LEU N N 15 120.973 0.1 . 1 . . . A 172 LEU N . 17600 1 212 . 1 1 20 20 GLY H H 1 8.301 0.02 . 1 . . . . 173 GLY H . 17600 1 213 . 1 1 20 20 GLY HA2 H 1 4.041 0.02 . 2 . . . . 173 GLY HA2 . 17600 1 214 . 1 1 20 20 GLY HA3 H 1 3.774 0.02 . 2 . . . . 173 GLY HA3 . 17600 1 215 . 1 1 20 20 GLY C C 13 175.733 0.1 . 1 . . . A 173 GLY C . 17600 1 216 . 1 1 20 20 GLY CA C 13 47.569 0.1 . 1 . . . A 173 GLY CA . 17600 1 217 . 1 1 20 20 GLY N N 15 100.202 0.1 . 1 . . . A 173 GLY N . 17600 1 218 . 1 1 21 21 PHE H H 1 7.317 0.02 . 1 . . . . 174 PHE H . 17600 1 219 . 1 1 21 21 PHE HA H 1 5.343 0.02 . 1 . . . A 174 PHE HA . 17600 1 220 . 1 1 21 21 PHE HB2 H 1 3.100 0.02 . 2 . . . . 174 PHE HB2 . 17600 1 221 . 1 1 21 21 PHE HB3 H 1 2.973 0.02 . 2 . . . . 174 PHE HB3 . 17600 1 222 . 1 1 21 21 PHE HD1 H 1 6.847 0.02 . 1 . . . . 174 PHE HD1 . 17600 1 223 . 1 1 21 21 PHE HD2 H 1 6.847 0.02 . 1 . . . . 174 PHE HD2 . 17600 1 224 . 1 1 21 21 PHE HE1 H 1 6.894 0.02 . 1 . . . . 174 PHE HE1 . 17600 1 225 . 1 1 21 21 PHE HE2 H 1 6.894 0.02 . 1 . . . . 174 PHE HE2 . 17600 1 226 . 1 1 21 21 PHE HZ H 1 7.209 0.02 . 1 . . . A 174 PHE HZ . 17600 1 227 . 1 1 21 21 PHE C C 13 170.789 0.1 . 1 . . . A 174 PHE C . 17600 1 228 . 1 1 21 21 PHE CA C 13 56.208 0.1 . 1 . . . A 174 PHE CA . 17600 1 229 . 1 1 21 21 PHE CB C 13 41.543 0.1 . 1 . . . A 174 PHE CB . 17600 1 230 . 1 1 21 21 PHE CD1 C 13 132.050 0.1 . 1 . . . A 174 PHE CD1 . 17600 1 231 . 1 1 21 21 PHE CE1 C 13 130.496 0.1 . 1 . . . A 174 PHE CE1 . 17600 1 232 . 1 1 21 21 PHE CZ C 13 129.978 0.1 . 1 . . . A 174 PHE CZ . 17600 1 233 . 1 1 21 21 PHE N N 15 116.658 0.1 . 1 . . . A 174 PHE N . 17600 1 234 . 1 1 22 22 TYR H H 1 8.300 0.02 . 1 . . . . 175 TYR H . 17600 1 235 . 1 1 22 22 TYR HA H 1 4.806 0.02 . 1 . . . A 175 TYR HA . 17600 1 236 . 1 1 22 22 TYR HB2 H 1 3.216 0.02 . 2 . . . . 175 TYR HB2 . 17600 1 237 . 1 1 22 22 TYR HB3 H 1 2.660 0.02 . 2 . . . . 175 TYR HB3 . 17600 1 238 . 1 1 22 22 TYR HD1 H 1 6.989 0.02 . 1 . . . . 175 TYR HD1 . 17600 1 239 . 1 1 22 22 TYR HD2 H 1 6.989 0.02 . 1 . . . . 175 TYR HD2 . 17600 1 240 . 1 1 22 22 TYR HE1 H 1 6.668 0.02 . 1 . . . . 175 TYR HE1 . 17600 1 241 . 1 1 22 22 TYR HE2 H 1 6.668 0.02 . 1 . . . . 175 TYR HE2 . 17600 1 242 . 1 1 22 22 TYR C C 13 175.523 0.1 . 1 . . . A 175 TYR C . 17600 1 243 . 1 1 22 22 TYR CA C 13 56.436 0.1 . 1 . . . A 175 TYR CA . 17600 1 244 . 1 1 22 22 TYR CB C 13 41.543 0.1 . 1 . . . A 175 TYR CB . 17600 1 245 . 1 1 22 22 TYR CD1 C 13 133.085 0.1 . 1 . . . A 175 TYR CD1 . 17600 1 246 . 1 1 22 22 TYR CE1 C 13 118.066 0.1 . 1 . . . A 175 TYR CE1 . 17600 1 247 . 1 1 22 22 TYR N N 15 119.117 0.1 . 1 . . . A 175 TYR N . 17600 1 248 . 1 1 23 23 ILE H H 1 8.627 0.02 . 1 . . . . 176 ILE H . 17600 1 249 . 1 1 23 23 ILE HA H 1 5.662 0.02 . 1 . . . A 176 ILE HA . 17600 1 250 . 1 1 23 23 ILE HB H 1 1.836 0.02 . 1 . . . A 176 ILE HB . 17600 1 251 . 1 1 23 23 ILE HG12 H 1 1.449 0.02 . 2 . . . . 176 ILE HG12 . 17600 1 252 . 1 1 23 23 ILE HG13 H 1 1.110 0.02 . 2 . . . . 176 ILE HG13 . 17600 1 253 . 1 1 23 23 ILE HG21 H 1 0.882 0.02 . 1 . . . . 176 ILE QG2 . 17600 1 254 . 1 1 23 23 ILE HG22 H 1 0.882 0.02 . 1 . . . . 176 ILE QG2 . 17600 1 255 . 1 1 23 23 ILE HG23 H 1 0.882 0.02 . 1 . . . . 176 ILE QG2 . 17600 1 256 . 1 1 23 23 ILE HD11 H 1 0.826 0.02 . 1 . . . . 176 ILE QD1 . 17600 1 257 . 1 1 23 23 ILE HD12 H 1 0.826 0.02 . 1 . . . . 176 ILE QD1 . 17600 1 258 . 1 1 23 23 ILE HD13 H 1 0.826 0.02 . 1 . . . . 176 ILE QD1 . 17600 1 259 . 1 1 23 23 ILE C C 13 174.581 0.1 . 1 . . . A 176 ILE C . 17600 1 260 . 1 1 23 23 ILE CA C 13 59.671 0.1 . 1 . . . A 176 ILE CA . 17600 1 261 . 1 1 23 23 ILE CB C 13 42.681 0.1 . 1 . . . A 176 ILE CB . 17600 1 262 . 1 1 23 23 ILE CG1 C 13 25.035 0.1 . 1 . . . A 176 ILE CG1 . 17600 1 263 . 1 1 23 23 ILE CG2 C 13 18.884 0.1 . 1 . . . A 176 ILE CG2 . 17600 1 264 . 1 1 23 23 ILE CD1 C 13 14.676 0.1 . 1 . . . A 176 ILE CD1 . 17600 1 265 . 1 1 23 23 ILE N N 15 113.670 0.1 . 1 . . . A 176 ILE N . 17600 1 266 . 1 1 24 24 ARG H H 1 9.398 0.02 . 1 . . . . 177 ARG H . 17600 1 267 . 1 1 24 24 ARG HA H 1 5.014 0.02 . 1 . . . A 177 ARG HA . 17600 1 268 . 1 1 24 24 ARG HB2 H 1 2.078 0.02 . 2 . . . . 177 ARG HB2 . 17600 1 269 . 1 1 24 24 ARG HB3 H 1 1.848 0.02 . 2 . . . . 177 ARG HB3 . 17600 1 270 . 1 1 24 24 ARG HG2 H 1 1.689 0.02 . 2 . . . . 177 ARG HG2 . 17600 1 271 . 1 1 24 24 ARG HG3 H 1 1.450 0.02 . 2 . . . . 177 ARG HG3 . 17600 1 272 . 1 1 24 24 ARG HD2 H 1 3.274 0.02 . 2 . . . . 177 ARG HD2 . 17600 1 273 . 1 1 24 24 ARG HD3 H 1 3.120 0.02 . 2 . . . . 177 ARG HD3 . 17600 1 274 . 1 1 24 24 ARG C C 13 174.546 0.1 . 1 . . . A 177 ARG C . 17600 1 275 . 1 1 24 24 ARG CA C 13 54.389 0.1 . 1 . . . A 177 ARG CA . 17600 1 276 . 1 1 24 24 ARG CB C 13 33.879 0.1 . 1 . . . A 177 ARG CB . 17600 1 277 . 1 1 24 24 ARG CG C 13 27.642 0.1 . 1 . . . A 177 ARG CG . 17600 1 278 . 1 1 24 24 ARG CD C 13 43.486 0.1 . 1 . . . A 177 ARG CD . 17600 1 279 . 1 1 24 24 ARG N N 15 116.528 0.1 . 1 . . . A 177 ARG N . 17600 1 280 . 1 1 25 25 ASP H H 1 8.668 0.02 . 1 . . . . 178 ASP H . 17600 1 281 . 1 1 25 25 ASP HA H 1 5.408 0.02 . 1 . . . A 178 ASP HA . 17600 1 282 . 1 1 25 25 ASP HB2 H 1 2.834 0.02 . 1 . . . . 178 ASP HB2 . 17600 1 283 . 1 1 25 25 ASP HB3 H 1 2.834 0.02 . 1 . . . . 178 ASP HB3 . 17600 1 284 . 1 1 25 25 ASP C C 13 176.979 0.1 . 1 . . . A 178 ASP C . 17600 1 285 . 1 1 25 25 ASP CA C 13 54.162 0.1 . 1 . . . A 178 ASP CA . 17600 1 286 . 1 1 25 25 ASP CB C 13 42.838 0.1 . 1 . . . A 178 ASP CB . 17600 1 287 . 1 1 25 25 ASP N N 15 120.129 0.1 . 1 . . . A 178 ASP N . 17600 1 288 . 1 1 26 26 GLY H H 1 8.423 0.02 . 1 . . . . 179 GLY H . 17600 1 289 . 1 1 26 26 GLY HA2 H 1 4.315 0.02 . 2 . . . . 179 GLY HA2 . 17600 1 290 . 1 1 26 26 GLY HA3 H 1 3.943 0.02 . 2 . . . . 179 GLY HA3 . 17600 1 291 . 1 1 26 26 GLY C C 13 172.831 0.1 . 1 . . . A 179 GLY C . 17600 1 292 . 1 1 26 26 GLY CA C 13 46.091 0.1 . 1 . . . A 179 GLY CA . 17600 1 293 . 1 1 26 26 GLY N N 15 107.569 0.1 . 1 . . . A 179 GLY N . 17600 1 294 . 1 1 27 27 THR H H 1 8.339 0.02 . 1 . . . . 180 THR H . 17600 1 295 . 1 1 27 27 THR HA H 1 4.988 0.02 . 1 . . . A 180 THR HA . 17600 1 296 . 1 1 27 27 THR HB H 1 3.901 0.02 . 1 . . . A 180 THR HB . 17600 1 297 . 1 1 27 27 THR HG21 H 1 1.102 0.02 . 1 . . . . 180 THR QG2 . 17600 1 298 . 1 1 27 27 THR HG22 H 1 1.102 0.02 . 1 . . . . 180 THR QG2 . 17600 1 299 . 1 1 27 27 THR HG23 H 1 1.102 0.02 . 1 . . . . 180 THR QG2 . 17600 1 300 . 1 1 27 27 THR C C 13 173.771 0.1 . 1 . . . A 180 THR C . 17600 1 301 . 1 1 27 27 THR CA C 13 61.665 0.1 . 1 . . . A 180 THR CA . 17600 1 302 . 1 1 27 27 THR CB C 13 71.971 0.1 . 1 . . . A 180 THR CB . 17600 1 303 . 1 1 27 27 THR CG2 C 13 22.121 0.1 . 1 . . . A 180 THR CG2 . 17600 1 304 . 1 1 27 27 THR N N 15 115.396 0.1 . 1 . . . A 180 THR N . 17600 1 305 . 1 1 28 28 SER H H 1 9.304 0.02 . 1 . . . . 181 SER H . 17600 1 306 . 1 1 28 28 SER HA H 1 4.726 0.02 . 1 . . . A 181 SER HA . 17600 1 307 . 1 1 28 28 SER HB2 H 1 3.870 0.02 . 1 . . . . 181 SER HB2 . 17600 1 308 . 1 1 28 28 SER HB3 H 1 3.870 0.02 . 1 . . . . 181 SER HB3 . 17600 1 309 . 1 1 28 28 SER C C 13 173.658 0.1 . 1 . . . A 181 SER C . 17600 1 310 . 1 1 28 28 SER CA C 13 57.459 0.1 . 1 . . . A 181 SER CA . 17600 1 311 . 1 1 28 28 SER CB C 13 65.174 0.1 . 1 . . . A 181 SER CB . 17600 1 312 . 1 1 28 28 SER N N 15 120.597 0.1 . 1 . . . A 181 SER N . 17600 1 313 . 1 1 29 29 VAL H H 1 8.507 0.02 . 1 . . . . 182 VAL H . 17600 1 314 . 1 1 29 29 VAL HA H 1 4.765 0.02 . 1 . . . A 182 VAL HA . 17600 1 315 . 1 1 29 29 VAL HB H 1 1.964 0.02 . 1 . . . A 182 VAL HB . 17600 1 316 . 1 1 29 29 VAL HG11 H 1 0.873 0.02 . 2 . . . . 182 VAL QG1 . 17600 1 317 . 1 1 29 29 VAL HG12 H 1 0.873 0.02 . 2 . . . . 182 VAL QG1 . 17600 1 318 . 1 1 29 29 VAL HG13 H 1 0.873 0.02 . 2 . . . . 182 VAL QG1 . 17600 1 319 . 1 1 29 29 VAL HG21 H 1 0.923 0.02 . 2 . . . . 182 VAL QG2 . 17600 1 320 . 1 1 29 29 VAL HG22 H 1 0.923 0.02 . 2 . . . . 182 VAL QG2 . 17600 1 321 . 1 1 29 29 VAL HG23 H 1 0.923 0.02 . 2 . . . . 182 VAL QG2 . 17600 1 322 . 1 1 29 29 VAL C C 13 175.818 0.1 . 1 . . . A 182 VAL C . 17600 1 323 . 1 1 29 29 VAL CA C 13 62.202 0.1 . 1 . . . A 182 VAL CA . 17600 1 324 . 1 1 29 29 VAL CB C 13 34.158 0.1 . 1 . . . A 182 VAL CB . 17600 1 325 . 1 1 29 29 VAL CG1 C 13 22.121 0.1 . 1 . . . A 182 VAL CG1 . 17600 1 326 . 1 1 29 29 VAL CG2 C 13 21.474 0.1 . 1 . . . A 182 VAL CG2 . 17600 1 327 . 1 1 29 29 VAL N N 15 121.815 0.1 . 1 . . . A 182 VAL N . 17600 1 328 . 1 1 30 30 ARG H H 1 8.926 0.02 . 1 . . . . 183 ARG H . 17600 1 329 . 1 1 30 30 ARG HA H 1 4.713 0.02 . 1 . . . A 183 ARG HA . 17600 1 330 . 1 1 30 30 ARG HB2 H 1 1.801 0.02 . 2 . . . . 183 ARG HB2 . 17600 1 331 . 1 1 30 30 ARG HB3 H 1 1.730 0.02 . 2 . . . . 183 ARG HB3 . 17600 1 332 . 1 1 30 30 ARG HG2 H 1 1.552 0.02 . 1 . . . . 183 ARG HG2 . 17600 1 333 . 1 1 30 30 ARG HG3 H 1 1.552 0.02 . 1 . . . . 183 ARG HG3 . 17600 1 334 . 1 1 30 30 ARG HD2 H 1 3.167 0.02 . 1 . . . . 183 ARG HD2 . 17600 1 335 . 1 1 30 30 ARG HD3 H 1 3.167 0.02 . 1 . . . . 183 ARG HD3 . 17600 1 336 . 1 1 30 30 ARG C C 13 174.646 0.1 . 1 . . . A 183 ARG C . 17600 1 337 . 1 1 30 30 ARG CA C 13 54.977 0.1 . 1 . . . A 183 ARG CA . 17600 1 338 . 1 1 30 30 ARG CB C 13 33.127 0.1 . 1 . . . A 183 ARG CB . 17600 1 339 . 1 1 30 30 ARG CG C 13 27.397 0.1 . 1 . . . A 183 ARG CG . 17600 1 340 . 1 1 30 30 ARG CD C 13 43.737 0.1 . 1 . . . A 183 ARG CD . 17600 1 341 . 1 1 30 30 ARG N N 15 126.419 0.1 . 1 . . . A 183 ARG N . 17600 1 342 . 1 1 31 31 VAL H H 1 8.619 0.02 . 1 . . . . 184 VAL H . 17600 1 343 . 1 1 31 31 VAL HA H 1 4.234 0.02 . 1 . . . A 184 VAL HA . 17600 1 344 . 1 1 31 31 VAL HB H 1 2.004 0.02 . 1 . . . A 184 VAL HB . 17600 1 345 . 1 1 31 31 VAL HG11 H 1 0.951 0.02 . 2 . . . . 184 VAL QG1 . 17600 1 346 . 1 1 31 31 VAL HG12 H 1 0.951 0.02 . 2 . . . . 184 VAL QG1 . 17600 1 347 . 1 1 31 31 VAL HG13 H 1 0.951 0.02 . 2 . . . . 184 VAL QG1 . 17600 1 348 . 1 1 31 31 VAL HG21 H 1 0.923 0.02 . 2 . . . . 184 VAL QG2 . 17600 1 349 . 1 1 31 31 VAL HG22 H 1 0.923 0.02 . 2 . . . . 184 VAL QG2 . 17600 1 350 . 1 1 31 31 VAL HG23 H 1 0.923 0.02 . 2 . . . . 184 VAL QG2 . 17600 1 351 . 1 1 31 31 VAL C C 13 176.463 0.1 . 1 . . . A 184 VAL C . 17600 1 352 . 1 1 31 31 VAL CA C 13 63.370 0.1 . 1 . . . A 184 VAL CA . 17600 1 353 . 1 1 31 31 VAL CB C 13 32.484 0.1 . 1 . . . A 184 VAL CB . 17600 1 354 . 1 1 31 31 VAL CG1 C 13 21.150 0.1 . 1 . . . A 184 VAL CG1 . 17600 1 355 . 1 1 31 31 VAL CG2 C 13 21.949 0.1 . 1 . . . A 184 VAL CG2 . 17600 1 356 . 1 1 31 31 VAL N N 15 123.882 0.1 . 1 . . . A 184 VAL N . 17600 1 357 . 1 1 32 32 THR H H 1 8.377 0.02 . 1 . . . . 185 THR H . 17600 1 358 . 1 1 32 32 THR HA H 1 4.823 0.02 . 1 . . . A 185 THR HA . 17600 1 359 . 1 1 32 32 THR HB H 1 4.556 0.02 . 1 . . . A 185 THR HB . 17600 1 360 . 1 1 32 32 THR HG21 H 1 1.141 0.02 . 1 . . . . 185 THR QG2 . 17600 1 361 . 1 1 32 32 THR HG22 H 1 1.141 0.02 . 1 . . . . 185 THR QG2 . 17600 1 362 . 1 1 32 32 THR HG23 H 1 1.141 0.02 . 1 . . . . 185 THR QG2 . 17600 1 363 . 1 1 32 32 THR C C 13 175.357 0.1 . 1 . . . A 185 THR C . 17600 1 364 . 1 1 32 32 THR CA C 13 60.451 0.1 . 1 . . . A 185 THR CA . 17600 1 365 . 1 1 32 32 THR CB C 13 72.164 0.1 . 1 . . . A 185 THR CB . 17600 1 366 . 1 1 32 32 THR CG2 C 13 21.354 0.1 . 1 . . . A 185 THR CG2 . 17600 1 367 . 1 1 32 32 THR N N 15 119.442 0.1 . 1 . . . A 185 THR N . 17600 1 368 . 1 1 33 33 ALA H H 1 8.836 0.02 . 1 . . . . 186 ALA H . 17600 1 369 . 1 1 33 33 ALA HA H 1 4.197 0.02 . 1 . . . A 186 ALA HA . 17600 1 370 . 1 1 33 33 ALA HB1 H 1 1.490 0.02 . 1 . . . . 186 ALA QB . 17600 1 371 . 1 1 33 33 ALA HB2 H 1 1.490 0.02 . 1 . . . . 186 ALA QB . 17600 1 372 . 1 1 33 33 ALA HB3 H 1 1.490 0.02 . 1 . . . . 186 ALA QB . 17600 1 373 . 1 1 33 33 ALA C C 13 178.823 0.1 . 1 . . . A 186 ALA C . 17600 1 374 . 1 1 33 33 ALA CA C 13 54.815 0.1 . 1 . . . A 186 ALA CA . 17600 1 375 . 1 1 33 33 ALA CB C 13 18.510 0.1 . 1 . . . A 186 ALA CB . 17600 1 376 . 1 1 33 33 ALA N N 15 122.523 0.1 . 1 . . . A 186 ALA N . 17600 1 377 . 1 1 34 34 SER H H 1 8.105 0.02 . 1 . . . . 187 SER H . 17600 1 378 . 1 1 34 34 SER HA H 1 4.556 0.02 . 1 . . . A 187 SER HA . 17600 1 379 . 1 1 34 34 SER HB2 H 1 3.867 0.02 . 1 . . . . 187 SER HB2 . 17600 1 380 . 1 1 34 34 SER HB3 H 1 3.867 0.02 . 1 . . . . 187 SER HB3 . 17600 1 381 . 1 1 34 34 SER C C 13 174.011 0.1 . 1 . . . A 187 SER C . 17600 1 382 . 1 1 34 34 SER CA C 13 58.590 0.1 . 1 . . . A 187 SER CA . 17600 1 383 . 1 1 34 34 SER CB C 13 64.337 0.1 . 1 . . . A 187 SER CB . 17600 1 384 . 1 1 34 34 SER N N 15 110.279 0.1 . 1 . . . A 187 SER N . 17600 1 385 . 1 1 35 35 GLY H H 1 7.627 0.02 . 1 . . . . 188 GLY H . 17600 1 386 . 1 1 35 35 GLY HA2 H 1 4.410 0.02 . 2 . . . . 188 GLY HA2 . 17600 1 387 . 1 1 35 35 GLY HA3 H 1 3.806 0.02 . 2 . . . . 188 GLY HA3 . 17600 1 388 . 1 1 35 35 GLY C C 13 172.812 0.1 . 1 . . . A 188 GLY C . 17600 1 389 . 1 1 35 35 GLY CA C 13 45.344 0.1 . 1 . . . A 188 GLY CA . 17600 1 390 . 1 1 35 35 GLY N N 15 110.511 0.1 . 1 . . . A 188 GLY N . 17600 1 391 . 1 1 36 36 LEU H H 1 8.428 0.02 . 1 . . . . 189 LEU H . 17600 1 392 . 1 1 36 36 LEU HA H 1 4.845 0.02 . 1 . . . A 189 LEU HA . 17600 1 393 . 1 1 36 36 LEU HB2 H 1 1.656 0.02 . 2 . . . . 189 LEU HB2 . 17600 1 394 . 1 1 36 36 LEU HB3 H 1 1.400 0.02 . 2 . . . . 189 LEU HB3 . 17600 1 395 . 1 1 36 36 LEU HG H 1 1.610 0.02 . 1 . . . A 189 LEU HG . 17600 1 396 . 1 1 36 36 LEU HD11 H 1 0.843 0.02 . 1 . . . . 189 LEU QD1 . 17600 1 397 . 1 1 36 36 LEU HD12 H 1 0.843 0.02 . 1 . . . . 189 LEU QD1 . 17600 1 398 . 1 1 36 36 LEU HD13 H 1 0.843 0.02 . 1 . . . . 189 LEU QD1 . 17600 1 399 . 1 1 36 36 LEU C C 13 177.135 0.1 . 1 . . . A 189 LEU C . 17600 1 400 . 1 1 36 36 LEU CA C 13 55.133 0.1 . 1 . . . A 189 LEU CA . 17600 1 401 . 1 1 36 36 LEU CB C 13 43.162 0.1 . 1 . . . A 189 LEU CB . 17600 1 402 . 1 1 36 36 LEU CG C 13 27.631 0.1 . 1 . . . A 189 LEU CG . 17600 1 403 . 1 1 36 36 LEU CD1 C 13 24.719 0.1 . 1 . . . A 189 LEU CD1 . 17600 1 404 . 1 1 36 36 LEU CD2 C 13 25.035 0.1 . 1 . . . A 189 LEU CD2 . 17600 1 405 . 1 1 36 36 LEU N N 15 123.108 0.1 . 1 . . . A 189 LEU N . 17600 1 406 . 1 1 37 37 GLU H H 1 9.083 0.02 . 1 . . . . 190 GLU H . 17600 1 407 . 1 1 37 37 GLU HA H 1 4.639 0.02 . 1 . . . A 190 GLU HA . 17600 1 408 . 1 1 37 37 GLU HB2 H 1 2.025 0.02 . 2 . . . . 190 GLU HB2 . 17600 1 409 . 1 1 37 37 GLU HB3 H 1 1.872 0.02 . 2 . . . . 190 GLU HB3 . 17600 1 410 . 1 1 37 37 GLU HG2 H 1 2.225 0.02 . 2 . . . . 190 GLU HG2 . 17600 1 411 . 1 1 37 37 GLU HG3 H 1 2.160 0.02 . 2 . . . . 190 GLU HG3 . 17600 1 412 . 1 1 37 37 GLU C C 13 175.302 0.1 . 1 . . . A 190 GLU C . 17600 1 413 . 1 1 37 37 GLU CA C 13 55.449 0.1 . 1 . . . A 190 GLU CA . 17600 1 414 . 1 1 37 37 GLU CB C 13 33.474 0.1 . 1 . . . A 190 GLU CB . 17600 1 415 . 1 1 37 37 GLU CG C 13 36.688 0.1 . 1 . . . A 190 GLU CG . 17600 1 416 . 1 1 37 37 GLU N N 15 124.424 0.1 . 1 . . . A 190 GLU N . 17600 1 417 . 1 1 38 38 LYS H H 1 8.621 0.02 . 1 . . . . 191 LYS H . 17600 1 418 . 1 1 38 38 LYS HA H 1 5.060 0.02 . 1 . . . A 191 LYS HA . 17600 1 419 . 1 1 38 38 LYS HB2 H 1 1.739 0.02 . 2 . . . . 191 LYS HB2 . 17600 1 420 . 1 1 38 38 LYS HB3 H 1 1.653 0.02 . 2 . . . . 191 LYS HB3 . 17600 1 421 . 1 1 38 38 LYS HG2 H 1 1.436 0.02 . 2 . . . . 191 LYS HG2 . 17600 1 422 . 1 1 38 38 LYS HG3 H 1 1.313 0.02 . 2 . . . . 191 LYS HG3 . 17600 1 423 . 1 1 38 38 LYS HD2 H 1 1.650 0.02 . 1 . . . . 191 LYS HD2 . 17600 1 424 . 1 1 38 38 LYS HD3 H 1 1.650 0.02 . 1 . . . . 191 LYS HD3 . 17600 1 425 . 1 1 38 38 LYS HE2 H 1 2.925 0.02 . 1 . . . . 191 LYS HE2 . 17600 1 426 . 1 1 38 38 LYS HE3 H 1 2.925 0.02 . 1 . . . . 191 LYS HE3 . 17600 1 427 . 1 1 38 38 LYS C C 13 176.223 0.1 . 1 . . . A 191 LYS C . 17600 1 428 . 1 1 38 38 LYS CA C 13 56.072 0.1 . 1 . . . A 191 LYS CA . 17600 1 429 . 1 1 38 38 LYS CB C 13 34.239 0.1 . 1 . . . A 191 LYS CB . 17600 1 430 . 1 1 38 38 LYS CG C 13 25.690 0.1 . 1 . . . A 191 LYS CG . 17600 1 431 . 1 1 38 38 LYS CD C 13 29.896 0.1 . 1 . . . A 191 LYS CD . 17600 1 432 . 1 1 38 38 LYS CE C 13 42.191 0.1 . 1 . . . A 191 LYS CE . 17600 1 433 . 1 1 38 38 LYS N N 15 123.872 0.1 . 1 . . . A 191 LYS N . 17600 1 434 . 1 1 39 39 GLN H H 1 8.767 0.02 . 1 . . . . 192 GLN H . 17600 1 435 . 1 1 39 39 GLN HA H 1 4.995 0.02 . 1 . . . A 192 GLN HA . 17600 1 436 . 1 1 39 39 GLN HB2 H 1 2.159 0.02 . 2 . . . . 192 GLN HB2 . 17600 1 437 . 1 1 39 39 GLN HB3 H 1 1.907 0.02 . 2 . . . . 192 GLN HB3 . 17600 1 438 . 1 1 39 39 GLN HG2 H 1 2.344 0.02 . 1 . . . . 192 GLN HG2 . 17600 1 439 . 1 1 39 39 GLN HG3 H 1 2.344 0.02 . 1 . . . . 192 GLN HG3 . 17600 1 440 . 1 1 39 39 GLN HE21 H 1 7.592 0.02 . 2 . . . . 192 GLN HE21 . 17600 1 441 . 1 1 39 39 GLN HE22 H 1 6.788 0.02 . 2 . . . . 192 GLN HE22 . 17600 1 442 . 1 1 39 39 GLN C C 13 172.800 0.1 . 1 . . . A 192 GLN C . 17600 1 443 . 1 1 39 39 GLN CA C 13 53.191 0.1 . 1 . . . A 192 GLN CA . 17600 1 444 . 1 1 39 39 GLN CB C 13 31.190 0.1 . 1 . . . A 192 GLN CB . 17600 1 445 . 1 1 39 39 GLN CG C 13 33.131 0.1 . 1 . . . A 192 GLN CG . 17600 1 446 . 1 1 39 39 GLN N N 15 122.700 0.1 . 1 . . . A 192 GLN N . 17600 1 447 . 1 1 39 39 GLN NE2 N 15 111.786 0.1 . 1 . . . A 192 GLN NE2 . 17600 1 448 . 1 1 40 40 PRO HA H 1 4.994 0.02 . 1 . . . A 193 PRO HA . 17600 1 449 . 1 1 40 40 PRO HB2 H 1 2.516 0.02 . 2 . . . . 193 PRO HB2 . 17600 1 450 . 1 1 40 40 PRO HB3 H 1 2.069 0.02 . 2 . . . . 193 PRO HB3 . 17600 1 451 . 1 1 40 40 PRO HG2 H 1 2.164 0.02 . 2 . . . . 193 PRO HG2 . 17600 1 452 . 1 1 40 40 PRO HG3 H 1 2.080 0.02 . 2 . . . . 193 PRO HG3 . 17600 1 453 . 1 1 40 40 PRO HD2 H 1 3.875 0.02 . 2 . . . . 193 PRO HD2 . 17600 1 454 . 1 1 40 40 PRO HD3 H 1 3.775 0.02 . 2 . . . . 193 PRO HD3 . 17600 1 455 . 1 1 40 40 PRO C C 13 177.093 0.1 . 1 . . . A 193 PRO C . 17600 1 456 . 1 1 40 40 PRO CA C 13 63.370 0.1 . 1 . . . A 193 PRO CA . 17600 1 457 . 1 1 40 40 PRO CB C 13 33.246 0.1 . 1 . . . A 193 PRO CB . 17600 1 458 . 1 1 40 40 PRO CG C 13 27.950 0.1 . 1 . . . A 193 PRO CG . 17600 1 459 . 1 1 40 40 PRO CD C 13 51.251 0.1 . 1 . . . A 193 PRO CD . 17600 1 460 . 1 1 41 41 GLY H H 1 8.469 0.02 . 1 . . . . 194 GLY H . 17600 1 461 . 1 1 41 41 GLY HA2 H 1 4.391 0.02 . 2 . . . . 194 GLY HA2 . 17600 1 462 . 1 1 41 41 GLY HA3 H 1 3.609 0.02 . 2 . . . . 194 GLY HA3 . 17600 1 463 . 1 1 41 41 GLY C C 13 171.290 0.1 . 1 . . . A 194 GLY C . 17600 1 464 . 1 1 41 41 GLY CA C 13 45.344 0.1 . 1 . . . A 194 GLY CA . 17600 1 465 . 1 1 41 41 GLY N N 15 108.711 0.1 . 1 . . . A 194 GLY N . 17600 1 466 . 1 1 42 42 ILE H H 1 8.492 0.02 . 1 . . . . 195 ILE H . 17600 1 467 . 1 1 42 42 ILE HA H 1 4.891 0.02 . 1 . . . A 195 ILE HA . 17600 1 468 . 1 1 42 42 ILE HB H 1 1.831 0.02 . 1 . . . A 195 ILE HB . 17600 1 469 . 1 1 42 42 ILE HG12 H 1 1.511 0.02 . 2 . . . . 195 ILE HG12 . 17600 1 470 . 1 1 42 42 ILE HG13 H 1 1.267 0.02 . 2 . . . . 195 ILE HG13 . 17600 1 471 . 1 1 42 42 ILE HG21 H 1 0.793 0.02 . 1 . . . . 195 ILE QG2 . 17600 1 472 . 1 1 42 42 ILE HG22 H 1 0.793 0.02 . 1 . . . . 195 ILE QG2 . 17600 1 473 . 1 1 42 42 ILE HG23 H 1 0.793 0.02 . 1 . . . . 195 ILE QG2 . 17600 1 474 . 1 1 42 42 ILE HD11 H 1 0.765 0.02 . 1 . . . . 195 ILE QD1 . 17600 1 475 . 1 1 42 42 ILE HD12 H 1 0.765 0.02 . 1 . . . . 195 ILE QD1 . 17600 1 476 . 1 1 42 42 ILE HD13 H 1 0.765 0.02 . 1 . . . . 195 ILE QD1 . 17600 1 477 . 1 1 42 42 ILE C C 13 174.531 0.1 . 1 . . . A 195 ILE C . 17600 1 478 . 1 1 42 42 ILE CA C 13 58.480 0.1 . 1 . . . A 195 ILE CA . 17600 1 479 . 1 1 42 42 ILE CB C 13 38.954 0.1 . 1 . . . A 195 ILE CB . 17600 1 480 . 1 1 42 42 ILE CG1 C 13 27.300 0.1 . 1 . . . A 195 ILE CG1 . 17600 1 481 . 1 1 42 42 ILE CG2 C 13 18.355 0.1 . 1 . . . A 195 ILE CG2 . 17600 1 482 . 1 1 42 42 ILE CD1 C 13 10.739 0.1 . 1 . . . A 195 ILE CD1 . 17600 1 483 . 1 1 42 42 ILE N N 15 122.116 0.1 . 1 . . . A 195 ILE N . 17600 1 484 . 1 1 43 43 PHE H H 1 9.068 0.02 . 1 . . . . 196 PHE H . 17600 1 485 . 1 1 43 43 PHE HA H 1 5.445 0.02 . 1 . . . A 196 PHE HA . 17600 1 486 . 1 1 43 43 PHE HB2 H 1 2.778 0.02 . 2 . . . . 196 PHE HB2 . 17600 1 487 . 1 1 43 43 PHE HB3 H 1 2.447 0.02 . 2 . . . . 196 PHE HB3 . 17600 1 488 . 1 1 43 43 PHE HD1 H 1 6.987 0.02 . 1 . . . . 196 PHE HD1 . 17600 1 489 . 1 1 43 43 PHE HD2 H 1 6.987 0.02 . 1 . . . . 196 PHE HD2 . 17600 1 490 . 1 1 43 43 PHE HE1 H 1 7.017 0.02 . 1 . . . . 196 PHE HE1 . 17600 1 491 . 1 1 43 43 PHE HE2 H 1 7.017 0.02 . 1 . . . . 196 PHE HE2 . 17600 1 492 . 1 1 43 43 PHE C C 13 176.048 0.1 . 1 . . . A 196 PHE C . 17600 1 493 . 1 1 43 43 PHE CA C 13 55.854 0.1 . 1 . . . A 196 PHE CA . 17600 1 494 . 1 1 43 43 PHE CB C 13 43.932 0.1 . 1 . . . A 196 PHE CB . 17600 1 495 . 1 1 43 43 PHE CD1 C 13 132.050 0.1 . 1 . . . A 196 PHE CD1 . 17600 1 496 . 1 1 43 43 PHE CE1 C 13 130.496 0.1 . 1 . . . A 196 PHE CE1 . 17600 1 497 . 1 1 43 43 PHE N N 15 122.950 0.1 . 1 . . . A 196 PHE N . 17600 1 498 . 1 1 44 44 ILE H H 1 9.005 0.02 . 1 . . . . 197 ILE H . 17600 1 499 . 1 1 44 44 ILE HA H 1 4.482 0.02 . 1 . . . A 197 ILE HA . 17600 1 500 . 1 1 44 44 ILE HB H 1 2.367 0.02 . 1 . . . A 197 ILE HB . 17600 1 501 . 1 1 44 44 ILE HG12 H 1 1.542 0.02 . 2 . . . . 197 ILE HG12 . 17600 1 502 . 1 1 44 44 ILE HG13 H 1 1.177 0.02 . 2 . . . . 197 ILE HG13 . 17600 1 503 . 1 1 44 44 ILE HG21 H 1 0.856 0.02 . 1 . . . . 197 ILE QG2 . 17600 1 504 . 1 1 44 44 ILE HG22 H 1 0.856 0.02 . 1 . . . . 197 ILE QG2 . 17600 1 505 . 1 1 44 44 ILE HG23 H 1 0.856 0.02 . 1 . . . . 197 ILE QG2 . 17600 1 506 . 1 1 44 44 ILE HD11 H 1 0.529 0.02 . 1 . . . . 197 ILE QD1 . 17600 1 507 . 1 1 44 44 ILE HD12 H 1 0.529 0.02 . 1 . . . . 197 ILE QD1 . 17600 1 508 . 1 1 44 44 ILE HD13 H 1 0.529 0.02 . 1 . . . . 197 ILE QD1 . 17600 1 509 . 1 1 44 44 ILE C C 13 176.985 0.1 . 1 . . . A 197 ILE C . 17600 1 510 . 1 1 44 44 ILE CA C 13 61.937 0.1 . 1 . . . A 197 ILE CA . 17600 1 511 . 1 1 44 44 ILE CB C 13 36.688 0.1 . 1 . . . A 197 ILE CB . 17600 1 512 . 1 1 44 44 ILE CG1 C 13 27.934 0.1 . 1 . . . A 197 ILE CG1 . 17600 1 513 . 1 1 44 44 ILE CG2 C 13 17.446 0.1 . 1 . . . A 197 ILE CG2 . 17600 1 514 . 1 1 44 44 ILE CD1 C 13 12.525 0.1 . 1 . . . A 197 ILE CD1 . 17600 1 515 . 1 1 44 44 ILE N N 15 120.875 0.1 . 1 . . . A 197 ILE N . 17600 1 516 . 1 1 45 45 SER H H 1 9.653 0.02 . 1 . . . . 198 SER H . 17600 1 517 . 1 1 45 45 SER HA H 1 4.794 0.02 . 1 . . . A 198 SER HA . 17600 1 518 . 1 1 45 45 SER HB2 H 1 3.974 0.02 . 2 . . . . 198 SER HB2 . 17600 1 519 . 1 1 45 45 SER HB3 H 1 3.489 0.02 . 2 . . . . 198 SER HB3 . 17600 1 520 . 1 1 45 45 SER C C 13 175.139 0.1 . 1 . . . A 198 SER C . 17600 1 521 . 1 1 45 45 SER CA C 13 58.376 0.1 . 1 . . . A 198 SER CA . 17600 1 522 . 1 1 45 45 SER CB C 13 64.888 0.1 . 1 . . . A 198 SER CB . 17600 1 523 . 1 1 45 45 SER N N 15 125.501 0.1 . 1 . . . A 198 SER N . 17600 1 524 . 1 1 46 46 ARG H H 1 7.269 0.02 . 1 . . . . 199 ARG H . 17600 1 525 . 1 1 46 46 ARG HA H 1 4.449 0.02 . 1 . . . A 199 ARG HA . 17600 1 526 . 1 1 46 46 ARG HB2 H 1 1.985 0.02 . 2 . . . . 199 ARG HB2 . 17600 1 527 . 1 1 46 46 ARG HB3 H 1 1.692 0.02 . 2 . . . . 199 ARG HB3 . 17600 1 528 . 1 1 46 46 ARG HG2 H 1 1.615 0.02 . 2 . . . . 199 ARG HG2 . 17600 1 529 . 1 1 46 46 ARG HG3 H 1 1.433 0.02 . 2 . . . . 199 ARG HG3 . 17600 1 530 . 1 1 46 46 ARG HD2 H 1 3.093 0.02 . 2 . . . . 199 ARG HD2 . 17600 1 531 . 1 1 46 46 ARG HD3 H 1 2.979 0.02 . 2 . . . . 199 ARG HD3 . 17600 1 532 . 1 1 46 46 ARG C C 13 173.729 0.1 . 1 . . . A 199 ARG C . 17600 1 533 . 1 1 46 46 ARG CA C 13 56.822 0.1 . 1 . . . A 199 ARG CA . 17600 1 534 . 1 1 46 46 ARG CB C 13 34.105 0.1 . 1 . . . A 199 ARG CB . 17600 1 535 . 1 1 46 46 ARG CG C 13 27.750 0.1 . 1 . . . A 199 ARG CG . 17600 1 536 . 1 1 46 46 ARG CD C 13 43.809 0.1 . 1 . . . A 199 ARG CD . 17600 1 537 . 1 1 46 46 ARG N N 15 119.702 0.1 . 1 . . . A 199 ARG N . 17600 1 538 . 1 1 47 47 LEU H H 1 8.948 0.02 . 1 . . . . 200 LEU H . 17600 1 539 . 1 1 47 47 LEU HA H 1 4.987 0.02 . 1 . . . A 200 LEU HA . 17600 1 540 . 1 1 47 47 LEU HB2 H 1 1.781 0.02 . 2 . . . . 200 LEU HB2 . 17600 1 541 . 1 1 47 47 LEU HB3 H 1 1.382 0.02 . 2 . . . . 200 LEU HB3 . 17600 1 542 . 1 1 47 47 LEU HG H 1 1.548 0.02 . 1 . . . A 200 LEU HG . 17600 1 543 . 1 1 47 47 LEU HD11 H 1 0.859 0.02 . 2 . . . . 200 LEU QD1 . 17600 1 544 . 1 1 47 47 LEU HD12 H 1 0.859 0.02 . 2 . . . . 200 LEU QD1 . 17600 1 545 . 1 1 47 47 LEU HD13 H 1 0.859 0.02 . 2 . . . . 200 LEU QD1 . 17600 1 546 . 1 1 47 47 LEU HD21 H 1 0.774 0.02 . 2 . . . . 200 LEU QD2 . 17600 1 547 . 1 1 47 47 LEU HD22 H 1 0.774 0.02 . 2 . . . . 200 LEU QD2 . 17600 1 548 . 1 1 47 47 LEU HD23 H 1 0.774 0.02 . 2 . . . . 200 LEU QD2 . 17600 1 549 . 1 1 47 47 LEU C C 13 176.105 0.1 . 1 . . . A 200 LEU C . 17600 1 550 . 1 1 47 47 LEU CA C 13 53.648 0.1 . 1 . . . A 200 LEU CA . 17600 1 551 . 1 1 47 47 LEU CB C 13 44.457 0.1 . 1 . . . A 200 LEU CB . 17600 1 552 . 1 1 47 47 LEU CG C 13 28.278 0.1 . 1 . . . A 200 LEU CG . 17600 1 553 . 1 1 47 47 LEU CD1 C 13 26.329 0.1 . 1 . . . A 200 LEU CD1 . 17600 1 554 . 1 1 47 47 LEU CD2 C 13 25.042 0.1 . 1 . . . A 200 LEU CD2 . 17600 1 555 . 1 1 47 47 LEU N N 15 124.841 0.1 . 1 . . . A 200 LEU N . 17600 1 556 . 1 1 48 48 VAL H H 1 7.923 0.02 . 1 . . . . 201 VAL H . 17600 1 557 . 1 1 48 48 VAL HA H 1 4.271 0.02 . 1 . . . A 201 VAL HA . 17600 1 558 . 1 1 48 48 VAL HB H 1 1.828 0.02 . 1 . . . A 201 VAL HB . 17600 1 559 . 1 1 48 48 VAL HG11 H 1 1.031 0.02 . 2 . . . . 201 VAL QG1 . 17600 1 560 . 1 1 48 48 VAL HG12 H 1 1.031 0.02 . 2 . . . . 201 VAL QG1 . 17600 1 561 . 1 1 48 48 VAL HG13 H 1 1.031 0.02 . 2 . . . . 201 VAL QG1 . 17600 1 562 . 1 1 48 48 VAL HG21 H 1 0.956 0.02 . 2 . . . . 201 VAL QG2 . 17600 1 563 . 1 1 48 48 VAL HG22 H 1 0.956 0.02 . 2 . . . . 201 VAL QG2 . 17600 1 564 . 1 1 48 48 VAL HG23 H 1 0.956 0.02 . 2 . . . . 201 VAL QG2 . 17600 1 565 . 1 1 48 48 VAL C C 13 174.746 0.1 . 1 . . . A 201 VAL C . 17600 1 566 . 1 1 48 48 VAL CA C 13 60.803 0.1 . 1 . . . A 201 VAL CA . 17600 1 567 . 1 1 48 48 VAL CB C 13 34.102 0.1 . 1 . . . A 201 VAL CB . 17600 1 568 . 1 1 48 48 VAL CG1 C 13 20.171 0.1 . 1 . . . A 201 VAL CG1 . 17600 1 569 . 1 1 48 48 VAL CG2 C 13 21.467 0.1 . 1 . . . A 201 VAL CG2 . 17600 1 570 . 1 1 48 48 VAL N N 15 123.566 0.1 . 1 . . . A 201 VAL N . 17600 1 571 . 1 1 49 49 PRO HA H 1 4.550 0.02 . 1 . . . A 202 PRO HA . 17600 1 572 . 1 1 49 49 PRO HB2 H 1 2.414 0.02 . 2 . . . . 202 PRO HB2 . 17600 1 573 . 1 1 49 49 PRO HB3 H 1 1.957 0.02 . 2 . . . . 202 PRO HB3 . 17600 1 574 . 1 1 49 49 PRO HG2 H 1 2.200 0.02 . 2 . . . . 202 PRO HG2 . 17600 1 575 . 1 1 49 49 PRO HG3 H 1 2.058 0.02 . 2 . . . . 202 PRO HG3 . 17600 1 576 . 1 1 49 49 PRO HD2 H 1 4.183 0.02 . 2 . . . . 202 PRO HD2 . 17600 1 577 . 1 1 49 49 PRO HD3 H 1 3.742 0.02 . 2 . . . . 202 PRO HD3 . 17600 1 578 . 1 1 49 49 PRO C C 13 178.137 0.1 . 1 . . . A 202 PRO C . 17600 1 579 . 1 1 49 49 PRO CA C 13 64.165 0.1 . 1 . . . A 202 PRO CA . 17600 1 580 . 1 1 49 49 PRO CB C 13 31.837 0.1 . 1 . . . A 202 PRO CB . 17600 1 581 . 1 1 49 49 PRO CG C 13 28.278 0.1 . 1 . . . A 202 PRO CG . 17600 1 582 . 1 1 49 49 PRO CD C 13 52.221 0.1 . 1 . . . A 202 PRO CD . 17600 1 583 . 1 1 50 50 GLY H H 1 9.501 0.02 . 1 . . . . 203 GLY H . 17600 1 584 . 1 1 50 50 GLY HA2 H 1 4.205 0.02 . 2 . . . . 203 GLY HA2 . 17600 1 585 . 1 1 50 50 GLY HA3 H 1 3.784 0.02 . 2 . . . . 203 GLY HA3 . 17600 1 586 . 1 1 50 50 GLY C C 13 175.318 0.1 . 1 . . . A 203 GLY C . 17600 1 587 . 1 1 50 50 GLY CA C 13 45.978 0.1 . 1 . . . A 203 GLY CA . 17600 1 588 . 1 1 50 50 GLY N N 15 114.459 0.1 . 1 . . . A 203 GLY N . 17600 1 589 . 1 1 51 51 GLY H H 1 7.957 0.02 . 1 . . . . 204 GLY H . 17600 1 590 . 1 1 51 51 GLY HA2 H 1 4.315 0.02 . 2 . . . . 204 GLY HA2 . 17600 1 591 . 1 1 51 51 GLY HA3 H 1 3.882 0.02 . 2 . . . . 204 GLY HA3 . 17600 1 592 . 1 1 51 51 GLY C C 13 174.453 0.1 . 1 . . . A 204 GLY C . 17600 1 593 . 1 1 51 51 GLY CA C 13 44.906 0.1 . 1 . . . A 204 GLY CA . 17600 1 594 . 1 1 51 51 GLY N N 15 105.305 0.1 . 1 . . . A 204 GLY N . 17600 1 595 . 1 1 52 52 LEU H H 1 8.945 0.02 . 1 . . . . 205 LEU H . 17600 1 596 . 1 1 52 52 LEU HA H 1 4.049 0.02 . 1 . . . A 205 LEU HA . 17600 1 597 . 1 1 52 52 LEU HB2 H 1 1.740 0.02 . 2 . . . . 205 LEU HB2 . 17600 1 598 . 1 1 52 52 LEU HB3 H 1 1.672 0.02 . 2 . . . . 205 LEU HB3 . 17600 1 599 . 1 1 52 52 LEU HG H 1 1.575 0.02 . 1 . . . A 205 LEU HG . 17600 1 600 . 1 1 52 52 LEU C C 13 180.312 0.1 . 1 . . . A 205 LEU C . 17600 1 601 . 1 1 52 52 LEU CA C 13 58.027 0.1 . 1 . . . A 205 LEU CA . 17600 1 602 . 1 1 52 52 LEU CB C 13 42.454 0.1 . 1 . . . A 205 LEU CB . 17600 1 603 . 1 1 52 52 LEU CG C 13 27.300 0.1 . 1 . . . A 205 LEU CG . 17600 1 604 . 1 1 52 52 LEU CD1 C 13 24.711 0.1 . 1 . . . A 205 LEU CD1 . 17600 1 605 . 1 1 52 52 LEU CD2 C 13 25.358 0.1 . 1 . . . A 205 LEU CD2 . 17600 1 606 . 1 1 52 52 LEU N N 15 119.907 0.1 . 1 . . . A 205 LEU N . 17600 1 607 . 1 1 53 53 ALA H H 1 8.247 0.02 . 1 . . . . 206 ALA H . 17600 1 608 . 1 1 53 53 ALA HA H 1 3.936 0.02 . 1 . . . A 206 ALA HA . 17600 1 609 . 1 1 53 53 ALA HB1 H 1 1.365 0.02 . 1 . . . . 206 ALA QB . 17600 1 610 . 1 1 53 53 ALA HB2 H 1 1.365 0.02 . 1 . . . . 206 ALA QB . 17600 1 611 . 1 1 53 53 ALA HB3 H 1 1.365 0.02 . 1 . . . . 206 ALA QB . 17600 1 612 . 1 1 53 53 ALA C C 13 180.248 0.1 . 1 . . . A 206 ALA C . 17600 1 613 . 1 1 53 53 ALA CA C 13 55.786 0.1 . 1 . . . A 206 ALA CA . 17600 1 614 . 1 1 53 53 ALA CB C 13 19.400 0.1 . 1 . . . A 206 ALA CB . 17600 1 615 . 1 1 53 53 ALA N N 15 119.748 0.1 . 1 . . . A 206 ALA N . 17600 1 616 . 1 1 54 54 GLU H H 1 9.503 0.02 . 1 . . . . 207 GLU H . 17600 1 617 . 1 1 54 54 GLU HA H 1 3.950 0.02 . 1 . . . A 207 GLU HA . 17600 1 618 . 1 1 54 54 GLU HB2 H 1 2.183 0.02 . 2 . . . . 207 GLU HB2 . 17600 1 619 . 1 1 54 54 GLU HB3 H 1 2.095 0.02 . 2 . . . . 207 GLU HB3 . 17600 1 620 . 1 1 54 54 GLU HG2 H 1 2.238 0.02 . 1 . . . . 207 GLU HG2 . 17600 1 621 . 1 1 54 54 GLU HG3 H 1 2.238 0.02 . 1 . . . . 207 GLU HG3 . 17600 1 622 . 1 1 54 54 GLU C C 13 178.509 0.1 . 1 . . . A 207 GLU C . 17600 1 623 . 1 1 54 54 GLU CA C 13 60.122 0.1 . 1 . . . A 207 GLU CA . 17600 1 624 . 1 1 54 54 GLU CB C 13 30.537 0.1 . 1 . . . A 207 GLU CB . 17600 1 625 . 1 1 54 54 GLU CG C 13 37.012 0.1 . 1 . . . A 207 GLU CG . 17600 1 626 . 1 1 54 54 GLU N N 15 121.896 0.1 . 1 . . . A 207 GLU N . 17600 1 627 . 1 1 55 55 SER H H 1 8.069 0.02 . 1 . . . . 208 SER H . 17600 1 628 . 1 1 55 55 SER HA H 1 4.310 0.02 . 1 . . . A 208 SER HA . 17600 1 629 . 1 1 55 55 SER HB2 H 1 4.063 0.02 . 1 . . . . 208 SER HB2 . 17600 1 630 . 1 1 55 55 SER HB3 H 1 4.063 0.02 . 1 . . . . 208 SER HB3 . 17600 1 631 . 1 1 55 55 SER C C 13 175.891 0.1 . 1 . . . A 208 SER C . 17600 1 632 . 1 1 55 55 SER CA C 13 61.551 0.1 . 1 . . . A 208 SER CA . 17600 1 633 . 1 1 55 55 SER CB C 13 63.663 0.1 . 1 . . . A 208 SER CB . 17600 1 634 . 1 1 55 55 SER N N 15 114.069 0.1 . 1 . . . A 208 SER N . 17600 1 635 . 1 1 56 56 THR H H 1 7.549 0.02 . 1 . . . . 209 THR H . 17600 1 636 . 1 1 56 56 THR HA H 1 4.248 0.02 . 1 . . . A 209 THR HA . 17600 1 637 . 1 1 56 56 THR HB H 1 4.199 0.02 . 1 . . . A 209 THR HB . 17600 1 638 . 1 1 56 56 THR HG21 H 1 1.453 0.02 . 1 . . . . 209 THR QG2 . 17600 1 639 . 1 1 56 56 THR HG22 H 1 1.453 0.02 . 1 . . . . 209 THR QG2 . 17600 1 640 . 1 1 56 56 THR HG23 H 1 1.453 0.02 . 1 . . . . 209 THR QG2 . 17600 1 641 . 1 1 56 56 THR C C 13 176.649 0.1 . 1 . . . A 209 THR C . 17600 1 642 . 1 1 56 56 THR CA C 13 63.824 0.1 . 1 . . . A 209 THR CA . 17600 1 643 . 1 1 56 56 THR CB C 13 71.324 0.1 . 1 . . . A 209 THR CB . 17600 1 644 . 1 1 56 56 THR CG2 C 13 22.121 0.1 . 1 . . . A 209 THR CG2 . 17600 1 645 . 1 1 56 56 THR N N 15 109.555 0.1 . 1 . . . A 209 THR N . 17600 1 646 . 1 1 57 57 GLY H H 1 7.544 0.02 . 1 . . . . 210 GLY H . 17600 1 647 . 1 1 57 57 GLY HA2 H 1 4.098 0.02 . 2 . . . . 210 GLY HA2 . 17600 1 648 . 1 1 57 57 GLY HA3 H 1 4.027 0.02 . 2 . . . . 210 GLY HA3 . 17600 1 649 . 1 1 57 57 GLY C C 13 174.975 0.1 . 1 . . . A 210 GLY C . 17600 1 650 . 1 1 57 57 GLY CA C 13 46.723 0.1 . 1 . . . A 210 GLY CA . 17600 1 651 . 1 1 57 57 GLY N N 15 108.757 0.1 . 1 . . . A 210 GLY N . 17600 1 652 . 1 1 58 58 LEU H H 1 7.829 0.02 . 1 . . . . 211 LEU H . 17600 1 653 . 1 1 58 58 LEU HA H 1 4.440 0.02 . 1 . . . A 211 LEU HA . 17600 1 654 . 1 1 58 58 LEU HB2 H 1 1.603 0.02 . 2 . . . . 211 LEU HB2 . 17600 1 655 . 1 1 58 58 LEU HB3 H 1 1.431 0.02 . 2 . . . . 211 LEU HB3 . 17600 1 656 . 1 1 58 58 LEU HG H 1 1.021 0.02 . 1 . . . A 211 LEU HG . 17600 1 657 . 1 1 58 58 LEU HD21 H 1 0.876 0.02 . 1 . . . . 211 LEU QD2 . 17600 1 658 . 1 1 58 58 LEU HD22 H 1 0.876 0.02 . 1 . . . . 211 LEU QD2 . 17600 1 659 . 1 1 58 58 LEU HD23 H 1 0.876 0.02 . 1 . . . . 211 LEU QD2 . 17600 1 660 . 1 1 58 58 LEU C C 13 175.726 0.1 . 1 . . . A 211 LEU C . 17600 1 661 . 1 1 58 58 LEU CA C 13 55.182 0.1 . 1 . . . A 211 LEU CA . 17600 1 662 . 1 1 58 58 LEU CB C 13 45.750 0.1 . 1 . . . A 211 LEU CB . 17600 1 663 . 1 1 58 58 LEU CG C 13 26.660 0.1 . 1 . . . A 211 LEU CG . 17600 1 664 . 1 1 58 58 LEU CD1 C 13 22.445 0.1 . 1 . . . A 211 LEU CD1 . 17600 1 665 . 1 1 58 58 LEU CD2 C 13 22.777 0.1 . 1 . . . A 211 LEU CD2 . 17600 1 666 . 1 1 58 58 LEU N N 15 118.308 0.1 . 1 . . . A 211 LEU N . 17600 1 667 . 1 1 59 59 LEU H H 1 7.669 0.02 . 1 . . . . 212 LEU H . 17600 1 668 . 1 1 59 59 LEU HA H 1 4.744 0.02 . 1 . . . A 212 LEU HA . 17600 1 669 . 1 1 59 59 LEU HB2 H 1 1.281 0.02 . 2 . . . . 212 LEU HB2 . 17600 1 670 . 1 1 59 59 LEU HB3 H 1 1.041 0.02 . 2 . . . . 212 LEU HB3 . 17600 1 671 . 1 1 59 59 LEU HG H 1 1.363 0.02 . 1 . . . A 212 LEU HG . 17600 1 672 . 1 1 59 59 LEU HD11 H 1 0.654 0.02 . 2 . . . . 212 LEU QD1 . 17600 1 673 . 1 1 59 59 LEU HD12 H 1 0.654 0.02 . 2 . . . . 212 LEU QD1 . 17600 1 674 . 1 1 59 59 LEU HD13 H 1 0.654 0.02 . 2 . . . . 212 LEU QD1 . 17600 1 675 . 1 1 59 59 LEU HD21 H 1 0.434 0.02 . 2 . . . . 212 LEU QD2 . 17600 1 676 . 1 1 59 59 LEU HD22 H 1 0.434 0.02 . 2 . . . . 212 LEU QD2 . 17600 1 677 . 1 1 59 59 LEU HD23 H 1 0.434 0.02 . 2 . . . . 212 LEU QD2 . 17600 1 678 . 1 1 59 59 LEU C C 13 174.703 0.1 . 1 . . . A 212 LEU C . 17600 1 679 . 1 1 59 59 LEU CA C 13 53.243 0.1 . 1 . . . A 212 LEU CA . 17600 1 680 . 1 1 59 59 LEU CB C 13 47.046 0.1 . 1 . . . A 212 LEU CB . 17600 1 681 . 1 1 59 59 LEU CG C 13 26.653 0.1 . 1 . . . A 212 LEU CG . 17600 1 682 . 1 1 59 59 LEU CD1 C 13 24.719 0.1 . 1 . . . A 212 LEU CD1 . 17600 1 683 . 1 1 59 59 LEU CD2 C 13 26.006 0.1 . 1 . . . A 212 LEU CD2 . 17600 1 684 . 1 1 59 59 LEU N N 15 117.920 0.1 . 1 . . . A 212 LEU N . 17600 1 685 . 1 1 60 60 ALA H H 1 9.071 0.02 . 1 . . . . 213 ALA H . 17600 1 686 . 1 1 60 60 ALA HA H 1 4.581 0.02 . 1 . . . A 213 ALA HA . 17600 1 687 . 1 1 60 60 ALA HB1 H 1 1.363 0.02 . 1 . . . . 213 ALA QB . 17600 1 688 . 1 1 60 60 ALA HB2 H 1 1.363 0.02 . 1 . . . . 213 ALA QB . 17600 1 689 . 1 1 60 60 ALA HB3 H 1 1.363 0.02 . 1 . . . . 213 ALA QB . 17600 1 690 . 1 1 60 60 ALA C C 13 176.249 0.1 . 1 . . . A 213 ALA C . 17600 1 691 . 1 1 60 60 ALA CA C 13 50.607 0.1 . 1 . . . A 213 ALA CA . 17600 1 692 . 1 1 60 60 ALA CB C 13 22.769 0.1 . 1 . . . A 213 ALA CB . 17600 1 693 . 1 1 60 60 ALA N N 15 126.297 0.1 . 1 . . . A 213 ALA N . 17600 1 694 . 1 1 61 61 VAL H H 1 8.222 0.02 . 1 . . . . 214 VAL H . 17600 1 695 . 1 1 61 61 VAL HA H 1 3.261 0.02 . 1 . . . A 214 VAL HA . 17600 1 696 . 1 1 61 61 VAL HB H 1 1.859 0.02 . 1 . . . A 214 VAL HB . 17600 1 697 . 1 1 61 61 VAL HG11 H 1 0.969 0.02 . 1 . . . . 214 VAL QG1 . 17600 1 698 . 1 1 61 61 VAL HG12 H 1 0.969 0.02 . 1 . . . . 214 VAL QG1 . 17600 1 699 . 1 1 61 61 VAL HG13 H 1 0.969 0.02 . 1 . . . . 214 VAL QG1 . 17600 1 700 . 1 1 61 61 VAL C C 13 176.663 0.1 . 1 . . . A 214 VAL C . 17600 1 701 . 1 1 61 61 VAL CA C 13 65.497 0.1 . 1 . . . A 214 VAL CA . 17600 1 702 . 1 1 61 61 VAL CB C 13 31.834 0.1 . 1 . . . A 214 VAL CB . 17600 1 703 . 1 1 61 61 VAL CG1 C 13 23.101 0.1 . 1 . . . A 214 VAL CG1 . 17600 1 704 . 1 1 61 61 VAL CG2 C 13 21.474 0.1 . 1 . . . A 214 VAL CG2 . 17600 1 705 . 1 1 61 61 VAL N N 15 118.870 0.1 . 1 . . . A 214 VAL N . 17600 1 706 . 1 1 62 62 ASN H H 1 9.117 0.02 . 1 . . . . 215 ASN H . 17600 1 707 . 1 1 62 62 ASN HA H 1 4.278 0.02 . 1 . . . A 215 ASN HA . 17600 1 708 . 1 1 62 62 ASN HB2 H 1 3.513 0.02 . 2 . . . . 215 ASN HB2 . 17600 1 709 . 1 1 62 62 ASN HB3 H 1 3.003 0.02 . 2 . . . . 215 ASN HB3 . 17600 1 710 . 1 1 62 62 ASN HD21 H 1 7.647 0.02 . 2 . . . . 215 ASN HD21 . 17600 1 711 . 1 1 62 62 ASN HD22 H 1 6.990 0.02 . 2 . . . . 215 ASN HD22 . 17600 1 712 . 1 1 62 62 ASN C C 13 175.261 0.1 . 1 . . . A 215 ASN C . 17600 1 713 . 1 1 62 62 ASN CA C 13 56.777 0.1 . 1 . . . A 215 ASN CA . 17600 1 714 . 1 1 62 62 ASN CB C 13 37.267 0.1 . 1 . . . A 215 ASN CB . 17600 1 715 . 1 1 62 62 ASN N N 15 116.677 0.1 . 1 . . . A 215 ASN N . 17600 1 716 . 1 1 62 62 ASN ND2 N 15 114.611 0.1 . 1 . . . A 215 ASN ND2 . 17600 1 717 . 1 1 63 63 ASP H H 1 8.200 0.02 . 1 . . . . 216 ASP H . 17600 1 718 . 1 1 63 63 ASP HA H 1 4.591 0.02 . 1 . . . A 216 ASP HA . 17600 1 719 . 1 1 63 63 ASP HB2 H 1 2.847 0.02 . 2 . . . . 216 ASP HB2 . 17600 1 720 . 1 1 63 63 ASP HB3 H 1 2.209 0.02 . 2 . . . . 216 ASP HB3 . 17600 1 721 . 1 1 63 63 ASP C C 13 175.583 0.1 . 1 . . . A 216 ASP C . 17600 1 722 . 1 1 63 63 ASP CA C 13 56.777 0.1 . 1 . . . A 216 ASP CA . 17600 1 723 . 1 1 63 63 ASP CB C 13 41.184 0.1 . 1 . . . A 216 ASP CB . 17600 1 724 . 1 1 63 63 ASP N N 15 122.820 0.1 . 1 . . . A 216 ASP N . 17600 1 725 . 1 1 64 64 GLU H H 1 8.328 0.02 . 1 . . . . 217 GLU H . 17600 1 726 . 1 1 64 64 GLU HA H 1 4.389 0.02 . 1 . . . A 217 GLU HA . 17600 1 727 . 1 1 64 64 GLU HB2 H 1 1.890 0.02 . 2 . . . . 217 GLU HB2 . 17600 1 728 . 1 1 64 64 GLU HB3 H 1 1.803 0.02 . 2 . . . . 217 GLU HB3 . 17600 1 729 . 1 1 64 64 GLU HG2 H 1 1.557 0.02 . 2 . . . . 217 GLU HG2 . 17600 1 730 . 1 1 64 64 GLU HG3 H 1 1.310 0.02 . 2 . . . . 217 GLU HG3 . 17600 1 731 . 1 1 64 64 GLU C C 13 176.555 0.1 . 1 . . . A 217 GLU C . 17600 1 732 . 1 1 64 64 GLU CA C 13 54.773 0.1 . 1 . . . A 217 GLU CA . 17600 1 733 . 1 1 64 64 GLU CB C 13 31.739 0.1 . 1 . . . A 217 GLU CB . 17600 1 734 . 1 1 64 64 GLU CG C 13 35.686 0.1 . 1 . . . A 217 GLU CG . 17600 1 735 . 1 1 64 64 GLU N N 15 122.885 0.1 . 1 . . . A 217 GLU N . 17600 1 736 . 1 1 65 65 VAL H H 1 8.911 0.02 . 1 . . . . 218 VAL H . 17600 1 737 . 1 1 65 65 VAL HA H 1 3.773 0.02 . 1 . . . A 218 VAL HA . 17600 1 738 . 1 1 65 65 VAL HB H 1 1.710 0.02 . 1 . . . A 218 VAL HB . 17600 1 739 . 1 1 65 65 VAL HG11 H 1 0.671 0.02 . 1 . . . . 218 VAL QG1 . 17600 1 740 . 1 1 65 65 VAL HG12 H 1 0.671 0.02 . 1 . . . . 218 VAL QG1 . 17600 1 741 . 1 1 65 65 VAL HG13 H 1 0.671 0.02 . 1 . . . . 218 VAL QG1 . 17600 1 742 . 1 1 65 65 VAL C C 13 173.956 0.1 . 1 . . . A 218 VAL C . 17600 1 743 . 1 1 65 65 VAL CA C 13 63.483 0.1 . 1 . . . A 218 VAL CA . 17600 1 744 . 1 1 65 65 VAL CB C 13 32.161 0.1 . 1 . . . A 218 VAL CB . 17600 1 745 . 1 1 65 65 VAL CG1 C 13 21.497 0.1 . 1 . . . A 218 VAL CG1 . 17600 1 746 . 1 1 65 65 VAL CG2 C 13 21.797 0.1 . 1 . . . A 218 VAL CG2 . 17600 1 747 . 1 1 65 65 VAL N N 15 128.099 0.1 . 1 . . . A 218 VAL N . 17600 1 748 . 1 1 66 66 ILE H H 1 8.958 0.02 . 1 . . . . 219 ILE H . 17600 1 749 . 1 1 66 66 ILE HA H 1 4.375 0.02 . 1 . . . A 219 ILE HA . 17600 1 750 . 1 1 66 66 ILE HB H 1 1.590 0.02 . 1 . . . A 219 ILE HB . 17600 1 751 . 1 1 66 66 ILE HG12 H 1 1.105 0.02 . 2 . . . . 219 ILE HG12 . 17600 1 752 . 1 1 66 66 ILE HG13 H 1 0.745 0.02 . 2 . . . . 219 ILE HG13 . 17600 1 753 . 1 1 66 66 ILE HG21 H 1 0.841 0.02 . 1 . . . . 219 ILE QG2 . 17600 1 754 . 1 1 66 66 ILE HG22 H 1 0.841 0.02 . 1 . . . . 219 ILE QG2 . 17600 1 755 . 1 1 66 66 ILE HG23 H 1 0.841 0.02 . 1 . . . . 219 ILE QG2 . 17600 1 756 . 1 1 66 66 ILE HD11 H 1 0.405 0.02 . 1 . . . . 219 ILE QD1 . 17600 1 757 . 1 1 66 66 ILE HD12 H 1 0.405 0.02 . 1 . . . . 219 ILE QD1 . 17600 1 758 . 1 1 66 66 ILE HD13 H 1 0.405 0.02 . 1 . . . . 219 ILE QD1 . 17600 1 759 . 1 1 66 66 ILE C C 13 178.067 0.1 . 1 . . . A 219 ILE C . 17600 1 760 . 1 1 66 66 ILE CA C 13 60.710 0.1 . 1 . . . A 219 ILE CA . 17600 1 761 . 1 1 66 66 ILE CB C 13 38.982 0.1 . 1 . . . A 219 ILE CB . 17600 1 762 . 1 1 66 66 ILE CG1 C 13 26.653 0.1 . 1 . . . A 219 ILE CG1 . 17600 1 763 . 1 1 66 66 ILE CG2 C 13 17.787 0.1 . 1 . . . A 219 ILE CG2 . 17600 1 764 . 1 1 66 66 ILE CD1 C 13 10.144 0.1 . 1 . . . A 219 ILE CD1 . 17600 1 765 . 1 1 66 66 ILE N N 15 123.191 0.1 . 1 . . . A 219 ILE N . 17600 1 766 . 1 1 67 67 GLU H H 1 7.709 0.02 . 1 . . . . 220 GLU H . 17600 1 767 . 1 1 67 67 GLU HA H 1 5.219 0.02 . 1 . . . A 220 GLU HA . 17600 1 768 . 1 1 67 67 GLU HB2 H 1 1.852 0.02 . 1 . . . . 220 GLU HB2 . 17600 1 769 . 1 1 67 67 GLU HB3 H 1 1.852 0.02 . 1 . . . . 220 GLU HB3 . 17600 1 770 . 1 1 67 67 GLU HG2 H 1 1.943 0.02 . 2 . . . . 220 GLU HG2 . 17600 1 771 . 1 1 67 67 GLU HG3 H 1 1.547 0.02 . 2 . . . . 220 GLU HG3 . 17600 1 772 . 1 1 67 67 GLU C C 13 175.320 0.1 . 1 . . . A 220 GLU C . 17600 1 773 . 1 1 67 67 GLU CA C 13 54.902 0.1 . 1 . . . A 220 GLU CA . 17600 1 774 . 1 1 67 67 GLU CB C 13 36.240 0.1 . 1 . . . A 220 GLU CB . 17600 1 775 . 1 1 67 67 GLU CG C 13 36.040 0.1 . 1 . . . A 220 GLU CG . 17600 1 776 . 1 1 67 67 GLU N N 15 117.577 0.1 . 1 . . . A 220 GLU N . 17600 1 777 . 1 1 68 68 VAL H H 1 8.615 0.02 . 1 . . . . 221 VAL H . 17600 1 778 . 1 1 68 68 VAL HA H 1 4.361 0.02 . 1 . . . A 221 VAL HA . 17600 1 779 . 1 1 68 68 VAL HB H 1 1.966 0.02 . 1 . . . A 221 VAL HB . 17600 1 780 . 1 1 68 68 VAL HG11 H 1 0.843 0.02 . 2 . . . . 221 VAL QG1 . 17600 1 781 . 1 1 68 68 VAL HG12 H 1 0.843 0.02 . 2 . . . . 221 VAL QG1 . 17600 1 782 . 1 1 68 68 VAL HG13 H 1 0.843 0.02 . 2 . . . . 221 VAL QG1 . 17600 1 783 . 1 1 68 68 VAL HG21 H 1 0.799 0.02 . 2 . . . . 221 VAL QG2 . 17600 1 784 . 1 1 68 68 VAL HG22 H 1 0.799 0.02 . 2 . . . . 221 VAL QG2 . 17600 1 785 . 1 1 68 68 VAL HG23 H 1 0.799 0.02 . 2 . . . . 221 VAL QG2 . 17600 1 786 . 1 1 68 68 VAL C C 13 174.951 0.1 . 1 . . . A 221 VAL C . 17600 1 787 . 1 1 68 68 VAL CA C 13 62.233 0.1 . 1 . . . A 221 VAL CA . 17600 1 788 . 1 1 68 68 VAL CB C 13 34.342 0.1 . 1 . . . A 221 VAL CB . 17600 1 789 . 1 1 68 68 VAL CG1 C 13 22.106 0.1 . 1 . . . A 221 VAL CG1 . 17600 1 790 . 1 1 68 68 VAL CG2 C 13 21.474 0.1 . 1 . . . A 221 VAL CG2 . 17600 1 791 . 1 1 68 68 VAL N N 15 120.315 0.1 . 1 . . . A 221 VAL N . 17600 1 792 . 1 1 69 69 ASN H H 1 9.877 0.02 . 1 . . . . 222 ASN H . 17600 1 793 . 1 1 69 69 ASN HA H 1 4.002 0.02 . 1 . . . A 222 ASN HA . 17600 1 794 . 1 1 69 69 ASN HB2 H 1 2.998 0.02 . 2 . . . . 222 ASN HB2 . 17600 1 795 . 1 1 69 69 ASN HB3 H 1 2.470 0.02 . 2 . . . . 222 ASN HB3 . 17600 1 796 . 1 1 69 69 ASN HD21 H 1 7.498 0.02 . 2 . . . . 222 ASN HD21 . 17600 1 797 . 1 1 69 69 ASN HD22 H 1 7.323 0.02 . 2 . . . . 222 ASN HD22 . 17600 1 798 . 1 1 69 69 ASN C C 13 174.667 0.1 . 1 . . . A 222 ASN C . 17600 1 799 . 1 1 69 69 ASN CA C 13 55.640 0.1 . 1 . . . A 222 ASN CA . 17600 1 800 . 1 1 69 69 ASN CB C 13 37.185 0.1 . 1 . . . A 222 ASN CB . 17600 1 801 . 1 1 69 69 ASN N N 15 128.072 0.1 . 1 . . . A 222 ASN N . 17600 1 802 . 1 1 69 69 ASN ND2 N 15 110.757 0.1 . 1 . . . A 222 ASN ND2 . 17600 1 803 . 1 1 70 70 GLY H H 1 8.246 0.02 . 1 . . . . 223 GLY H . 17600 1 804 . 1 1 70 70 GLY HA2 H 1 4.035 0.02 . 2 . . . . 223 GLY HA2 . 17600 1 805 . 1 1 70 70 GLY HA3 H 1 3.624 0.02 . 2 . . . . 223 GLY HA3 . 17600 1 806 . 1 1 70 70 GLY C C 13 173.273 0.1 . 1 . . . A 223 GLY C . 17600 1 807 . 1 1 70 70 GLY CA C 13 45.751 0.1 . 1 . . . A 223 GLY CA . 17600 1 808 . 1 1 70 70 GLY N N 15 101.325 0.1 . 1 . . . A 223 GLY N . 17600 1 809 . 1 1 71 71 ILE H H 1 7.918 0.02 . 1 . . . . 224 ILE H . 17600 1 810 . 1 1 71 71 ILE HA H 1 4.248 0.02 . 1 . . . A 224 ILE HA . 17600 1 811 . 1 1 71 71 ILE HB H 1 2.076 0.02 . 1 . . . A 224 ILE HB . 17600 1 812 . 1 1 71 71 ILE HG12 H 1 1.481 0.02 . 2 . . . . 224 ILE HG12 . 17600 1 813 . 1 1 71 71 ILE HG13 H 1 1.205 0.02 . 2 . . . . 224 ILE HG13 . 17600 1 814 . 1 1 71 71 ILE HG21 H 1 0.941 0.02 . 1 . . . . 224 ILE QG2 . 17600 1 815 . 1 1 71 71 ILE HG22 H 1 0.941 0.02 . 1 . . . . 224 ILE QG2 . 17600 1 816 . 1 1 71 71 ILE HG23 H 1 0.941 0.02 . 1 . . . . 224 ILE QG2 . 17600 1 817 . 1 1 71 71 ILE HD11 H 1 0.848 0.02 . 1 . . . . 224 ILE QD1 . 17600 1 818 . 1 1 71 71 ILE HD12 H 1 0.848 0.02 . 1 . . . . 224 ILE QD1 . 17600 1 819 . 1 1 71 71 ILE HD13 H 1 0.848 0.02 . 1 . . . . 224 ILE QD1 . 17600 1 820 . 1 1 71 71 ILE C C 13 176.112 0.1 . 1 . . . A 224 ILE C . 17600 1 821 . 1 1 71 71 ILE CA C 13 59.671 0.1 . 1 . . . A 224 ILE CA . 17600 1 822 . 1 1 71 71 ILE CB C 13 37.985 0.1 . 1 . . . A 224 ILE CB . 17600 1 823 . 1 1 71 71 ILE CG1 C 13 26.984 0.1 . 1 . . . A 224 ILE CG1 . 17600 1 824 . 1 1 71 71 ILE CG2 C 13 17.589 0.1 . 1 . . . A 224 ILE CG2 . 17600 1 825 . 1 1 71 71 ILE CD1 C 13 11.535 0.1 . 1 . . . A 224 ILE CD1 . 17600 1 826 . 1 1 71 71 ILE N N 15 122.468 0.1 . 1 . . . A 224 ILE N . 17600 1 827 . 1 1 72 72 GLU H H 1 8.892 0.02 . 1 . . . . 225 GLU H . 17600 1 828 . 1 1 72 72 GLU HA H 1 4.491 0.02 . 1 . . . A 225 GLU HA . 17600 1 829 . 1 1 72 72 GLU HB2 H 1 2.240 0.02 . 2 . . . . 225 GLU HB2 . 17600 1 830 . 1 1 72 72 GLU HB3 H 1 2.154 0.02 . 2 . . . . 225 GLU HB3 . 17600 1 831 . 1 1 72 72 GLU HG2 H 1 2.524 0.02 . 2 . . . . 225 GLU HG2 . 17600 1 832 . 1 1 72 72 GLU HG3 H 1 2.345 0.02 . 2 . . . . 225 GLU HG3 . 17600 1 833 . 1 1 72 72 GLU C C 13 177.214 0.1 . 1 . . . A 225 GLU C . 17600 1 834 . 1 1 72 72 GLU CA C 13 57.572 0.1 . 1 . . . A 225 GLU CA . 17600 1 835 . 1 1 72 72 GLU CB C 13 30.219 0.1 . 1 . . . A 225 GLU CB . 17600 1 836 . 1 1 72 72 GLU CG C 13 37.012 0.1 . 1 . . . A 225 GLU CG . 17600 1 837 . 1 1 72 72 GLU N N 15 126.707 0.1 . 1 . . . A 225 GLU N . 17600 1 838 . 1 1 73 73 VAL H H 1 7.379 0.02 . 1 . . . . 226 VAL H . 17600 1 839 . 1 1 73 73 VAL HA H 1 4.049 0.02 . 1 . . . A 226 VAL HA . 17600 1 840 . 1 1 73 73 VAL HB H 1 2.267 0.02 . 1 . . . A 226 VAL HB . 17600 1 841 . 1 1 73 73 VAL HG11 H 1 0.753 0.02 . 2 . . . . 226 VAL QG1 . 17600 1 842 . 1 1 73 73 VAL HG12 H 1 0.753 0.02 . 2 . . . . 226 VAL QG1 . 17600 1 843 . 1 1 73 73 VAL HG13 H 1 0.753 0.02 . 2 . . . . 226 VAL QG1 . 17600 1 844 . 1 1 73 73 VAL HG21 H 1 0.689 0.02 . 2 . . . . 226 VAL QG2 . 17600 1 845 . 1 1 73 73 VAL HG22 H 1 0.689 0.02 . 2 . . . . 226 VAL QG2 . 17600 1 846 . 1 1 73 73 VAL HG23 H 1 0.689 0.02 . 2 . . . . 226 VAL QG2 . 17600 1 847 . 1 1 73 73 VAL C C 13 175.578 0.1 . 1 . . . A 226 VAL C . 17600 1 848 . 1 1 73 73 VAL CA C 13 62.126 0.1 . 1 . . . A 226 VAL CA . 17600 1 849 . 1 1 73 73 VAL CB C 13 31.514 0.1 . 1 . . . A 226 VAL CB . 17600 1 850 . 1 1 73 73 VAL CG1 C 13 22.777 0.1 . 1 . . . A 226 VAL CG1 . 17600 1 851 . 1 1 73 73 VAL CG2 C 13 19.855 0.1 . 1 . . . A 226 VAL CG2 . 17600 1 852 . 1 1 73 73 VAL N N 15 112.835 0.1 . 1 . . . A 226 VAL N . 17600 1 853 . 1 1 74 74 ALA H H 1 7.589 0.02 . 1 . . . . 227 ALA H . 17600 1 854 . 1 1 74 74 ALA HA H 1 4.192 0.02 . 1 . . . A 227 ALA HA . 17600 1 855 . 1 1 74 74 ALA HB1 H 1 1.369 0.02 . 1 . . . . 227 ALA QB . 17600 1 856 . 1 1 74 74 ALA HB2 H 1 1.369 0.02 . 1 . . . . 227 ALA QB . 17600 1 857 . 1 1 74 74 ALA HB3 H 1 1.369 0.02 . 1 . . . . 227 ALA QB . 17600 1 858 . 1 1 74 74 ALA C C 13 178.547 0.1 . 1 . . . A 227 ALA C . 17600 1 859 . 1 1 74 74 ALA CA C 13 53.821 0.1 . 1 . . . A 227 ALA CA . 17600 1 860 . 1 1 74 74 ALA CB C 13 18.237 0.1 . 1 . . . A 227 ALA CB . 17600 1 861 . 1 1 74 74 ALA N N 15 124.971 0.1 . 1 . . . A 227 ALA N . 17600 1 862 . 1 1 75 75 GLY H H 1 8.853 0.02 . 1 . . . . 228 GLY H . 17600 1 863 . 1 1 75 75 GLY HA2 H 1 4.207 0.02 . 2 . . . . 228 GLY HA2 . 17600 1 864 . 1 1 75 75 GLY HA3 H 1 3.722 0.02 . 2 . . . . 228 GLY HA3 . 17600 1 865 . 1 1 75 75 GLY C C 13 174.638 0.1 . 1 . . . A 228 GLY C . 17600 1 866 . 1 1 75 75 GLY CA C 13 45.658 0.1 . 1 . . . A 228 GLY CA . 17600 1 867 . 1 1 75 75 GLY N N 15 111.476 0.1 . 1 . . . A 228 GLY N . 17600 1 868 . 1 1 76 76 LYS H H 1 8.007 0.02 . 1 . . . . 229 LYS H . 17600 1 869 . 1 1 76 76 LYS HA H 1 4.740 0.02 . 1 . . . A 229 LYS HA . 17600 1 870 . 1 1 76 76 LYS HB2 H 1 1.962 0.02 . 2 . . . . 229 LYS HB2 . 17600 1 871 . 1 1 76 76 LYS HB3 H 1 1.835 0.02 . 2 . . . . 229 LYS HB3 . 17600 1 872 . 1 1 76 76 LYS HG2 H 1 1.298 0.02 . 1 . . . . 229 LYS HG2 . 17600 1 873 . 1 1 76 76 LYS HG3 H 1 1.298 0.02 . 1 . . . . 229 LYS HG3 . 17600 1 874 . 1 1 76 76 LYS HD2 H 1 1.586 0.02 . 2 . . . . 229 LYS HD2 . 17600 1 875 . 1 1 76 76 LYS HD3 H 1 1.469 0.02 . 2 . . . . 229 LYS HD3 . 17600 1 876 . 1 1 76 76 LYS HE2 H 1 2.984 0.02 . 1 . . . . 229 LYS HE2 . 17600 1 877 . 1 1 76 76 LYS HE3 H 1 2.984 0.02 . 1 . . . . 229 LYS HE3 . 17600 1 878 . 1 1 76 76 LYS C C 13 176.869 0.1 . 1 . . . A 229 LYS C . 17600 1 879 . 1 1 76 76 LYS CA C 13 55.269 0.1 . 1 . . . A 229 LYS CA . 17600 1 880 . 1 1 76 76 LYS CB C 13 34.730 0.1 . 1 . . . A 229 LYS CB . 17600 1 881 . 1 1 76 76 LYS CG C 13 26.400 0.1 . 1 . . . A 229 LYS CG . 17600 1 882 . 1 1 76 76 LYS CD C 13 29.890 0.1 . 1 . . . A 229 LYS CD . 17600 1 883 . 1 1 76 76 LYS CE C 13 42.561 0.1 . 1 . . . A 229 LYS CE . 17600 1 884 . 1 1 76 76 LYS N N 15 120.203 0.1 . 1 . . . A 229 LYS N . 17600 1 885 . 1 1 77 77 THR H H 1 8.597 0.02 . 1 . . . . 230 THR H . 17600 1 886 . 1 1 77 77 THR HA H 1 4.489 0.02 . 1 . . . A 230 THR HA . 17600 1 887 . 1 1 77 77 THR HB H 1 4.759 0.02 . 1 . . . A 230 THR HB . 17600 1 888 . 1 1 77 77 THR HG21 H 1 1.342 0.02 . 1 . . . . 230 THR QG2 . 17600 1 889 . 1 1 77 77 THR HG22 H 1 1.342 0.02 . 1 . . . . 230 THR QG2 . 17600 1 890 . 1 1 77 77 THR HG23 H 1 1.342 0.02 . 1 . . . . 230 THR QG2 . 17600 1 891 . 1 1 77 77 THR C C 13 175.776 0.1 . 1 . . . A 230 THR C . 17600 1 892 . 1 1 77 77 THR CA C 13 60.693 0.1 . 1 . . . A 230 THR CA . 17600 1 893 . 1 1 77 77 THR CB C 13 71.327 0.1 . 1 . . . A 230 THR CB . 17600 1 894 . 1 1 77 77 THR CG2 C 13 22.445 0.1 . 1 . . . A 230 THR CG2 . 17600 1 895 . 1 1 77 77 THR N N 15 111.142 0.1 . 1 . . . A 230 THR N . 17600 1 896 . 1 1 78 78 LEU H H 1 9.031 0.02 . 1 . . . . 231 LEU H . 17600 1 897 . 1 1 78 78 LEU HA H 1 3.903 0.02 . 1 . . . A 231 LEU HA . 17600 1 898 . 1 1 78 78 LEU HB2 H 1 1.776 0.02 . 1 . . . . 231 LEU HB2 . 17600 1 899 . 1 1 78 78 LEU HB3 H 1 1.776 0.02 . 1 . . . . 231 LEU HB3 . 17600 1 900 . 1 1 78 78 LEU HG H 1 1.709 0.02 . 1 . . . A 231 LEU HG . 17600 1 901 . 1 1 78 78 LEU HD21 H 1 0.926 0.02 . 1 . . . . 231 LEU QD2 . 17600 1 902 . 1 1 78 78 LEU HD22 H 1 0.926 0.02 . 1 . . . . 231 LEU QD2 . 17600 1 903 . 1 1 78 78 LEU HD23 H 1 0.926 0.02 . 1 . . . . 231 LEU QD2 . 17600 1 904 . 1 1 78 78 LEU C C 13 179.911 0.1 . 1 . . . A 231 LEU C . 17600 1 905 . 1 1 78 78 LEU CA C 13 59.050 0.1 . 1 . . . A 231 LEU CA . 17600 1 906 . 1 1 78 78 LEU CB C 13 42.226 0.1 . 1 . . . A 231 LEU CB . 17600 1 907 . 1 1 78 78 LEU CG C 13 27.300 0.1 . 1 . . . A 231 LEU CG . 17600 1 908 . 1 1 78 78 LEU CD1 C 13 25.035 0.1 . 1 . . . A 231 LEU CD1 . 17600 1 909 . 1 1 78 78 LEU CD2 C 13 24.719 0.1 . 1 . . . A 231 LEU CD2 . 17600 1 910 . 1 1 78 78 LEU N N 15 121.363 0.1 . 1 . . . A 231 LEU N . 17600 1 911 . 1 1 79 79 ASP H H 1 8.433 0.02 . 1 . . . . 232 ASP H . 17600 1 912 . 1 1 79 79 ASP HA H 1 4.373 0.02 . 1 . . . A 232 ASP HA . 17600 1 913 . 1 1 79 79 ASP HB2 H 1 2.739 0.02 . 2 . . . . 232 ASP HB2 . 17600 1 914 . 1 1 79 79 ASP HB3 H 1 2.525 0.02 . 2 . . . . 232 ASP HB3 . 17600 1 915 . 1 1 79 79 ASP C C 13 178.399 0.1 . 1 . . . A 232 ASP C . 17600 1 916 . 1 1 79 79 ASP CA C 13 57.824 0.1 . 1 . . . A 232 ASP CA . 17600 1 917 . 1 1 79 79 ASP CB C 13 40.573 0.1 . 1 . . . A 232 ASP CB . 17600 1 918 . 1 1 79 79 ASP N N 15 117.816 0.1 . 1 . . . A 232 ASP N . 17600 1 919 . 1 1 80 80 GLN H H 1 7.729 0.02 . 1 . . . . 233 GLN H . 17600 1 920 . 1 1 80 80 GLN HA H 1 4.129 0.02 . 1 . . . A 233 GLN HA . 17600 1 921 . 1 1 80 80 GLN HB2 H 1 2.541 0.02 . 2 . . . . 233 GLN HB2 . 17600 1 922 . 1 1 80 80 GLN HB3 H 1 1.912 0.02 . 2 . . . . 233 GLN HB3 . 17600 1 923 . 1 1 80 80 GLN HG2 H 1 2.536 0.02 . 2 . . . . 233 GLN HG2 . 17600 1 924 . 1 1 80 80 GLN HG3 H 1 2.509 0.02 . 2 . . . . 233 GLN HG3 . 17600 1 925 . 1 1 80 80 GLN HE21 H 1 7.575 0.02 . 2 . . . . 233 GLN HE21 . 17600 1 926 . 1 1 80 80 GLN HE22 H 1 6.833 0.02 . 2 . . . . 233 GLN HE22 . 17600 1 927 . 1 1 80 80 GLN C C 13 180.055 0.1 . 1 . . . A 233 GLN C . 17600 1 928 . 1 1 80 80 GLN CA C 13 59.050 0.1 . 1 . . . A 233 GLN CA . 17600 1 929 . 1 1 80 80 GLN CB C 13 29.243 0.1 . 1 . . . A 233 GLN CB . 17600 1 930 . 1 1 80 80 GLN CG C 13 35.069 0.1 . 1 . . . A 233 GLN CG . 17600 1 931 . 1 1 80 80 GLN N N 15 119.368 0.1 . 1 . . . A 233 GLN N . 17600 1 932 . 1 1 80 80 GLN NE2 N 15 110.637 0.1 . 1 . . . A 233 GLN NE2 . 17600 1 933 . 1 1 81 81 VAL H H 1 8.498 0.02 . 1 . . . . 234 VAL H . 17600 1 934 . 1 1 81 81 VAL HA H 1 3.746 0.02 . 1 . . . A 234 VAL HA . 17600 1 935 . 1 1 81 81 VAL HB H 1 2.128 0.02 . 1 . . . A 234 VAL HB . 17600 1 936 . 1 1 81 81 VAL HG11 H 1 1.001 0.02 . 2 . . . . 234 VAL QG1 . 17600 1 937 . 1 1 81 81 VAL HG12 H 1 1.001 0.02 . 2 . . . . 234 VAL QG1 . 17600 1 938 . 1 1 81 81 VAL HG13 H 1 1.001 0.02 . 2 . . . . 234 VAL QG1 . 17600 1 939 . 1 1 81 81 VAL HG21 H 1 0.880 0.02 . 2 . . . . 234 VAL QG2 . 17600 1 940 . 1 1 81 81 VAL HG22 H 1 0.880 0.02 . 2 . . . . 234 VAL QG2 . 17600 1 941 . 1 1 81 81 VAL HG23 H 1 0.880 0.02 . 2 . . . . 234 VAL QG2 . 17600 1 942 . 1 1 81 81 VAL C C 13 178.230 0.1 . 1 . . . A 234 VAL C . 17600 1 943 . 1 1 81 81 VAL CA C 13 67.116 0.1 . 1 . . . A 234 VAL CA . 17600 1 944 . 1 1 81 81 VAL CB C 13 31.509 0.1 . 1 . . . A 234 VAL CB . 17600 1 945 . 1 1 81 81 VAL CG1 C 13 24.072 0.1 . 1 . . . A 234 VAL CG1 . 17600 1 946 . 1 1 81 81 VAL CG2 C 13 22.445 0.1 . 1 . . . A 234 VAL CG2 . 17600 1 947 . 1 1 81 81 VAL N N 15 121.491 0.1 . 1 . . . A 234 VAL N . 17600 1 948 . 1 1 82 82 THR H H 1 8.761 0.02 . 1 . . . . 235 THR H . 17600 1 949 . 1 1 82 82 THR HA H 1 3.798 0.02 . 1 . . . A 235 THR HA . 17600 1 950 . 1 1 82 82 THR HB H 1 4.415 0.02 . 1 . . . A 235 THR HB . 17600 1 951 . 1 1 82 82 THR HG21 H 1 1.245 0.02 . 1 . . . . 235 THR QG2 . 17600 1 952 . 1 1 82 82 THR HG22 H 1 1.245 0.02 . 1 . . . . 235 THR QG2 . 17600 1 953 . 1 1 82 82 THR HG23 H 1 1.245 0.02 . 1 . . . . 235 THR QG2 . 17600 1 954 . 1 1 82 82 THR C C 13 176.620 0.1 . 1 . . . A 235 THR C . 17600 1 955 . 1 1 82 82 THR CA C 13 68.134 0.1 . 1 . . . A 235 THR CA . 17600 1 956 . 1 1 82 82 THR CB C 13 68.404 0.1 . 1 . . . A 235 THR CB . 17600 1 957 . 1 1 82 82 THR CG2 C 13 21.652 0.1 . 1 . . . A 235 THR CG2 . 17600 1 958 . 1 1 82 82 THR N N 15 118.793 0.1 . 1 . . . A 235 THR N . 17600 1 959 . 1 1 83 83 ASP H H 1 8.016 0.02 . 1 . . . . 236 ASP H . 17600 1 960 . 1 1 83 83 ASP HA H 1 4.413 0.02 . 1 . . . A 236 ASP HA . 17600 1 961 . 1 1 83 83 ASP HB2 H 1 2.839 0.02 . 2 . . . . 236 ASP HB2 . 17600 1 962 . 1 1 83 83 ASP HB3 H 1 2.642 0.02 . 2 . . . . 236 ASP HB3 . 17600 1 963 . 1 1 83 83 ASP C C 13 179.311 0.1 . 1 . . . A 236 ASP C . 17600 1 964 . 1 1 83 83 ASP CA C 13 58.052 0.1 . 1 . . . A 236 ASP CA . 17600 1 965 . 1 1 83 83 ASP CB C 13 40.528 0.1 . 1 . . . A 236 ASP CB . 17600 1 966 . 1 1 83 83 ASP N N 15 120.890 0.1 . 1 . . . A 236 ASP N . 17600 1 967 . 1 1 84 84 MET H H 1 7.836 0.02 . 1 . . . . 237 MET H . 17600 1 968 . 1 1 84 84 MET HA H 1 4.130 0.02 . 1 . . . A 237 MET HA . 17600 1 969 . 1 1 84 84 MET HB2 H 1 2.424 0.02 . 2 . . . . 237 MET HB2 . 17600 1 970 . 1 1 84 84 MET HB3 H 1 2.062 0.02 . 2 . . . . 237 MET HB3 . 17600 1 971 . 1 1 84 84 MET HG2 H 1 2.860 0.02 . 2 . . . . 237 MET HG2 . 17600 1 972 . 1 1 84 84 MET HG3 H 1 2.566 0.02 . 2 . . . . 237 MET HG3 . 17600 1 973 . 1 1 84 84 MET HE1 H 1 1.979 0.02 . 1 . . . . 237 MET QE . 17600 1 974 . 1 1 84 84 MET HE2 H 1 1.979 0.02 . 1 . . . . 237 MET QE . 17600 1 975 . 1 1 84 84 MET HE3 H 1 1.979 0.02 . 1 . . . . 237 MET QE . 17600 1 976 . 1 1 84 84 MET C C 13 178.934 0.1 . 1 . . . A 237 MET C . 17600 1 977 . 1 1 84 84 MET CA C 13 59.671 0.1 . 1 . . . A 237 MET CA . 17600 1 978 . 1 1 84 84 MET CB C 13 34.422 0.1 . 1 . . . A 237 MET CB . 17600 1 979 . 1 1 84 84 MET CG C 13 31.428 0.1 . 1 . . . A 237 MET CG . 17600 1 980 . 1 1 84 84 MET CE C 13 16.935 0.1 . 1 . . . A 237 MET CE . 17600 1 981 . 1 1 84 84 MET N N 15 119.340 0.1 . 1 . . . A 237 MET N . 17600 1 982 . 1 1 85 85 MET H H 1 8.120 0.02 . 1 . . . . 238 MET H . 17600 1 983 . 1 1 85 85 MET HA H 1 3.994 0.02 . 1 . . . A 238 MET HA . 17600 1 984 . 1 1 85 85 MET HB2 H 1 2.440 0.02 . 2 . . . . 238 MET HB2 . 17600 1 985 . 1 1 85 85 MET HB3 H 1 1.914 0.02 . 2 . . . . 238 MET HB3 . 17600 1 986 . 1 1 85 85 MET HG2 H 1 2.952 0.02 . 2 . . . . 238 MET HG2 . 17600 1 987 . 1 1 85 85 MET HG3 H 1 2.417 0.02 . 2 . . . . 238 MET HG3 . 17600 1 988 . 1 1 85 85 MET HE1 H 1 1.885 0.02 . 1 . . . . 238 MET QE . 17600 1 989 . 1 1 85 85 MET HE2 H 1 1.885 0.02 . 1 . . . . 238 MET QE . 17600 1 990 . 1 1 85 85 MET HE3 H 1 1.885 0.02 . 1 . . . . 238 MET QE . 17600 1 991 . 1 1 85 85 MET C C 13 178.059 0.1 . 1 . . . A 238 MET C . 17600 1 992 . 1 1 85 85 MET CA C 13 59.671 0.1 . 1 . . . A 238 MET CA . 17600 1 993 . 1 1 85 85 MET CB C 13 32.480 0.1 . 1 . . . A 238 MET CB . 17600 1 994 . 1 1 85 85 MET CG C 13 33.451 0.1 . 1 . . . A 238 MET CG . 17600 1 995 . 1 1 85 85 MET CE C 13 17.589 0.1 . 1 . . . A 238 MET CE . 17600 1 996 . 1 1 85 85 MET N N 15 118.867 0.1 . 1 . . . A 238 MET N . 17600 1 997 . 1 1 86 86 VAL H H 1 8.240 0.02 . 1 . . . . 239 VAL H . 17600 1 998 . 1 1 86 86 VAL HA H 1 3.689 0.02 . 1 . . . A 239 VAL HA . 17600 1 999 . 1 1 86 86 VAL HB H 1 2.191 0.02 . 1 . . . A 239 VAL HB . 17600 1 1000 . 1 1 86 86 VAL HG11 H 1 1.073 0.02 . 2 . . . . 239 VAL QG1 . 17600 1 1001 . 1 1 86 86 VAL HG12 H 1 1.073 0.02 . 2 . . . . 239 VAL QG1 . 17600 1 1002 . 1 1 86 86 VAL HG13 H 1 1.073 0.02 . 2 . . . . 239 VAL QG1 . 17600 1 1003 . 1 1 86 86 VAL HG21 H 1 0.950 0.02 . 2 . . . . 239 VAL QG2 . 17600 1 1004 . 1 1 86 86 VAL HG22 H 1 0.950 0.02 . 2 . . . . 239 VAL QG2 . 17600 1 1005 . 1 1 86 86 VAL HG23 H 1 0.950 0.02 . 2 . . . . 239 VAL QG2 . 17600 1 1006 . 1 1 86 86 VAL C C 13 179.897 0.1 . 1 . . . A 239 VAL C . 17600 1 1007 . 1 1 86 86 VAL CA C 13 66.145 0.1 . 1 . . . A 239 VAL CA . 17600 1 1008 . 1 1 86 86 VAL CB C 13 32.156 0.1 . 1 . . . A 239 VAL CB . 17600 1 1009 . 1 1 86 86 VAL CG1 C 13 22.445 0.1 . 1 . . . A 239 VAL CG1 . 17600 1 1010 . 1 1 86 86 VAL CG2 C 13 21.474 0.1 . 1 . . . A 239 VAL CG2 . 17600 1 1011 . 1 1 86 86 VAL N N 15 118.143 0.1 . 1 . . . A 239 VAL N . 17600 1 1012 . 1 1 87 87 ALA H H 1 8.227 0.02 . 1 . . . . 240 ALA H . 17600 1 1013 . 1 1 87 87 ALA HA H 1 4.204 0.02 . 1 . . . A 240 ALA HA . 17600 1 1014 . 1 1 87 87 ALA HB1 H 1 1.476 0.02 . 1 . . . . 240 ALA QB . 17600 1 1015 . 1 1 87 87 ALA HB2 H 1 1.476 0.02 . 1 . . . . 240 ALA QB . 17600 1 1016 . 1 1 87 87 ALA HB3 H 1 1.476 0.02 . 1 . . . . 240 ALA QB . 17600 1 1017 . 1 1 87 87 ALA C C 13 178.810 0.1 . 1 . . . A 240 ALA C . 17600 1 1018 . 1 1 87 87 ALA CA C 13 54.815 0.1 . 1 . . . A 240 ALA CA . 17600 1 1019 . 1 1 87 87 ALA CB C 13 18.510 0.1 . 1 . . . A 240 ALA CB . 17600 1 1020 . 1 1 87 87 ALA N N 15 122.570 0.1 . 1 . . . A 240 ALA N . 17600 1 1021 . 1 1 88 88 ASN H H 1 7.352 0.02 . 1 . . . . 241 ASN H . 17600 1 1022 . 1 1 88 88 ASN HA H 1 4.927 0.02 . 1 . . . A 241 ASN HA . 17600 1 1023 . 1 1 88 88 ASN HB2 H 1 3.101 0.02 . 2 . . . . 241 ASN HB2 . 17600 1 1024 . 1 1 88 88 ASN HB3 H 1 2.421 0.02 . 2 . . . . 241 ASN HB3 . 17600 1 1025 . 1 1 88 88 ASN HD21 H 1 7.676 0.02 . 2 . . . . 241 ASN HD21 . 17600 1 1026 . 1 1 88 88 ASN HD22 H 1 7.085 0.02 . 2 . . . . 241 ASN HD22 . 17600 1 1027 . 1 1 88 88 ASN C C 13 175.689 0.1 . 1 . . . A 241 ASN C . 17600 1 1028 . 1 1 88 88 ASN CA C 13 53.626 0.1 . 1 . . . A 241 ASN CA . 17600 1 1029 . 1 1 88 88 ASN CB C 13 40.572 0.1 . 1 . . . A 241 ASN CB . 17600 1 1030 . 1 1 88 88 ASN N N 15 114.199 0.1 . 1 . . . A 241 ASN N . 17600 1 1031 . 1 1 88 88 ASN ND2 N 15 115.173 0.1 . 1 . . . A 241 ASN ND2 . 17600 1 1032 . 1 1 89 89 SER H H 1 7.585 0.02 . 1 . . . . 242 SER H . 17600 1 1033 . 1 1 89 89 SER HA H 1 4.063 0.02 . 1 . . . A 242 SER HA . 17600 1 1034 . 1 1 89 89 SER C C 13 175.290 0.1 . 1 . . . A 242 SER C . 17600 1 1035 . 1 1 89 89 SER CA C 13 62.239 0.1 . 1 . . . A 242 SER CA . 17600 1 1036 . 1 1 89 89 SER CB C 13 64.110 0.1 . 1 . . . A 242 SER CB . 17600 1 1037 . 1 1 89 89 SER N N 15 114.923 0.1 . 1 . . . A 242 SER N . 17600 1 1038 . 1 1 90 90 SER H H 1 8.454 0.02 . 1 . . . . 243 SER H . 17600 1 1039 . 1 1 90 90 SER HA H 1 4.433 0.02 . 1 . . . A 243 SER HA . 17600 1 1040 . 1 1 90 90 SER HB2 H 1 3.944 0.02 . 1 . . . . 243 SER HB2 . 17600 1 1041 . 1 1 90 90 SER HB3 H 1 3.944 0.02 . 1 . . . . 243 SER HB3 . 17600 1 1042 . 1 1 90 90 SER C C 13 174.309 0.1 . 1 . . . A 243 SER C . 17600 1 1043 . 1 1 90 90 SER CA C 13 60.318 0.1 . 1 . . . A 243 SER CA . 17600 1 1044 . 1 1 90 90 SER CB C 13 63.870 0.1 . 1 . . . A 243 SER CB . 17600 1 1045 . 1 1 90 90 SER N N 15 115.442 0.1 . 1 . . . A 243 SER N . 17600 1 1046 . 1 1 91 91 ASN H H 1 7.880 0.02 . 1 . . . . 244 ASN H . 17600 1 1047 . 1 1 91 91 ASN HA H 1 4.789 0.02 . 1 . . . A 244 ASN HA . 17600 1 1048 . 1 1 91 91 ASN HB2 H 1 2.667 0.02 . 1 . . . . 244 ASN HB2 . 17600 1 1049 . 1 1 91 91 ASN HB3 H 1 2.667 0.02 . 1 . . . . 244 ASN HB3 . 17600 1 1050 . 1 1 91 91 ASN HD21 H 1 7.478 0.02 . 2 . . . . 244 ASN HD21 . 17600 1 1051 . 1 1 91 91 ASN HD22 H 1 6.661 0.02 . 2 . . . . 244 ASN HD22 . 17600 1 1052 . 1 1 91 91 ASN C C 13 172.960 0.1 . 1 . . . A 244 ASN C . 17600 1 1053 . 1 1 91 91 ASN CA C 13 53.572 0.1 . 1 . . . A 244 ASN CA . 17600 1 1054 . 1 1 91 91 ASN CB C 13 38.955 0.1 . 1 . . . A 244 ASN CB . 17600 1 1055 . 1 1 91 91 ASN N N 15 120.519 0.1 . 1 . . . A 244 ASN N . 17600 1 1056 . 1 1 91 91 ASN ND2 N 15 110.904 0.1 . 1 . . . A 244 ASN ND2 . 17600 1 1057 . 1 1 92 92 LEU H H 1 8.278 0.02 . 1 . . . . 245 LEU H . 17600 1 1058 . 1 1 92 92 LEU HA H 1 4.713 0.02 . 1 . . . A 245 LEU HA . 17600 1 1059 . 1 1 92 92 LEU HB2 H 1 2.013 0.02 . 2 . . . . 245 LEU HB2 . 17600 1 1060 . 1 1 92 92 LEU HB3 H 1 1.574 0.02 . 2 . . . . 245 LEU HB3 . 17600 1 1061 . 1 1 92 92 LEU HG H 1 1.078 0.02 . 1 . . . A 245 LEU HG . 17600 1 1062 . 1 1 92 92 LEU HD11 H 1 1.049 0.02 . 1 . . . . 245 LEU QD1 . 17600 1 1063 . 1 1 92 92 LEU HD12 H 1 1.049 0.02 . 1 . . . . 245 LEU QD1 . 17600 1 1064 . 1 1 92 92 LEU HD13 H 1 1.049 0.02 . 1 . . . . 245 LEU QD1 . 17600 1 1065 . 1 1 92 92 LEU HD21 H 1 1.050 0.02 . 1 . . . . 245 LEU QD2 . 17600 1 1066 . 1 1 92 92 LEU HD22 H 1 1.050 0.02 . 1 . . . . 245 LEU QD2 . 17600 1 1067 . 1 1 92 92 LEU HD23 H 1 1.050 0.02 . 1 . . . . 245 LEU QD2 . 17600 1 1068 . 1 1 92 92 LEU C C 13 175.338 0.1 . 1 . . . A 245 LEU C . 17600 1 1069 . 1 1 92 92 LEU CA C 13 55.786 0.1 . 1 . . . A 245 LEU CA . 17600 1 1070 . 1 1 92 92 LEU CB C 13 43.162 0.1 . 1 . . . A 245 LEU CB . 17600 1 1071 . 1 1 92 92 LEU CG C 13 27.948 0.1 . 1 . . . A 245 LEU CG . 17600 1 1072 . 1 1 92 92 LEU CD1 C 13 25.042 0.1 . 1 . . . A 245 LEU CD1 . 17600 1 1073 . 1 1 92 92 LEU CD2 C 13 24.862 0.1 . 1 . . . A 245 LEU CD2 . 17600 1 1074 . 1 1 92 92 LEU N N 15 126.642 0.1 . 1 . . . A 245 LEU N . 17600 1 1075 . 1 1 93 93 ILE H H 1 8.929 0.02 . 1 . . . . 246 ILE H . 17600 1 1076 . 1 1 93 93 ILE HA H 1 4.920 0.02 . 1 . . . A 246 ILE HA . 17600 1 1077 . 1 1 93 93 ILE HB H 1 1.562 0.02 . 1 . . . A 246 ILE HB . 17600 1 1078 . 1 1 93 93 ILE HG12 H 1 1.546 0.02 . 2 . . . . 246 ILE HG12 . 17600 1 1079 . 1 1 93 93 ILE HG13 H 1 0.784 0.02 . 2 . . . . 246 ILE HG13 . 17600 1 1080 . 1 1 93 93 ILE HG21 H 1 0.675 0.02 . 1 . . . . 246 ILE QG2 . 17600 1 1081 . 1 1 93 93 ILE HG22 H 1 0.675 0.02 . 1 . . . . 246 ILE QG2 . 17600 1 1082 . 1 1 93 93 ILE HG23 H 1 0.675 0.02 . 1 . . . . 246 ILE QG2 . 17600 1 1083 . 1 1 93 93 ILE HD11 H 1 0.802 0.02 . 1 . . . . 246 ILE QD1 . 17600 1 1084 . 1 1 93 93 ILE HD12 H 1 0.802 0.02 . 1 . . . . 246 ILE QD1 . 17600 1 1085 . 1 1 93 93 ILE HD13 H 1 0.802 0.02 . 1 . . . . 246 ILE QD1 . 17600 1 1086 . 1 1 93 93 ILE C C 13 176.248 0.1 . 1 . . . A 246 ILE C . 17600 1 1087 . 1 1 93 93 ILE CA C 13 60.642 0.1 . 1 . . . A 246 ILE CA . 17600 1 1088 . 1 1 93 93 ILE CB C 13 40.976 0.1 . 1 . . . A 246 ILE CB . 17600 1 1089 . 1 1 93 93 ILE CG1 C 13 27.954 0.1 . 1 . . . A 246 ILE CG1 . 17600 1 1090 . 1 1 93 93 ILE CG2 C 13 17.446 0.1 . 1 . . . A 246 ILE CG2 . 17600 1 1091 . 1 1 93 93 ILE CD1 C 13 13.705 0.1 . 1 . . . A 246 ILE CD1 . 17600 1 1092 . 1 1 93 93 ILE N N 15 126.854 0.1 . 1 . . . A 246 ILE N . 17600 1 1093 . 1 1 94 94 ILE H H 1 9.084 0.02 . 1 . . . . 247 ILE H . 17600 1 1094 . 1 1 94 94 ILE HA H 1 4.974 0.02 . 1 . . . A 247 ILE HA . 17600 1 1095 . 1 1 94 94 ILE HB H 1 1.723 0.02 . 1 . . . A 247 ILE HB . 17600 1 1096 . 1 1 94 94 ILE HG12 H 1 1.524 0.02 . 2 . . . . 247 ILE HG12 . 17600 1 1097 . 1 1 94 94 ILE HG13 H 1 1.035 0.02 . 2 . . . . 247 ILE HG13 . 17600 1 1098 . 1 1 94 94 ILE HG21 H 1 0.907 0.02 . 1 . . . . 247 ILE QG2 . 17600 1 1099 . 1 1 94 94 ILE HG22 H 1 0.907 0.02 . 1 . . . . 247 ILE QG2 . 17600 1 1100 . 1 1 94 94 ILE HG23 H 1 0.907 0.02 . 1 . . . . 247 ILE QG2 . 17600 1 1101 . 1 1 94 94 ILE HD11 H 1 0.630 0.02 . 1 . . . . 247 ILE QD1 . 17600 1 1102 . 1 1 94 94 ILE HD12 H 1 0.630 0.02 . 1 . . . . 247 ILE QD1 . 17600 1 1103 . 1 1 94 94 ILE HD13 H 1 0.630 0.02 . 1 . . . . 247 ILE QD1 . 17600 1 1104 . 1 1 94 94 ILE C C 13 174.552 0.1 . 1 . . . A 247 ILE C . 17600 1 1105 . 1 1 94 94 ILE CA C 13 59.023 0.1 . 1 . . . A 247 ILE CA . 17600 1 1106 . 1 1 94 94 ILE CB C 13 41.220 0.1 . 1 . . . A 247 ILE CB . 17600 1 1107 . 1 1 94 94 ILE CG1 C 13 26.966 0.1 . 1 . . . A 247 ILE CG1 . 17600 1 1108 . 1 1 94 94 ILE CG2 C 13 18.566 0.1 . 1 . . . A 247 ILE CG2 . 17600 1 1109 . 1 1 94 94 ILE CD1 C 13 14.029 0.1 . 1 . . . A 247 ILE CD1 . 17600 1 1110 . 1 1 94 94 ILE N N 15 126.039 0.1 . 1 . . . A 247 ILE N . 17600 1 1111 . 1 1 95 95 THR H H 1 8.620 0.02 . 1 . . . . 248 THR H . 17600 1 1112 . 1 1 95 95 THR HA H 1 5.335 0.02 . 1 . . . A 248 THR HA . 17600 1 1113 . 1 1 95 95 THR HB H 1 3.796 0.02 . 1 . . . A 248 THR HB . 17600 1 1114 . 1 1 95 95 THR HG21 H 1 0.962 0.02 . 1 . . . . 248 THR QG2 . 17600 1 1115 . 1 1 95 95 THR HG22 H 1 0.962 0.02 . 1 . . . . 248 THR QG2 . 17600 1 1116 . 1 1 95 95 THR HG23 H 1 0.962 0.02 . 1 . . . . 248 THR QG2 . 17600 1 1117 . 1 1 95 95 THR C C 13 174.804 0.1 . 1 . . . A 248 THR C . 17600 1 1118 . 1 1 95 95 THR CA C 13 61.210 0.1 . 1 . . . A 248 THR CA . 17600 1 1119 . 1 1 95 95 THR CB C 13 68.734 0.1 . 1 . . . A 248 THR CB . 17600 1 1120 . 1 1 95 95 THR CG2 C 13 22.561 0.1 . 1 . . . A 248 THR CG2 . 17600 1 1121 . 1 1 95 95 THR N N 15 122.895 0.1 . 1 . . . A 248 THR N . 17600 1 1122 . 1 1 96 96 VAL H H 1 9.402 0.02 . 1 . . . . 249 VAL H . 17600 1 1123 . 1 1 96 96 VAL HA H 1 5.582 0.02 . 1 . . . A 249 VAL HA . 17600 1 1124 . 1 1 96 96 VAL HB H 1 1.841 0.02 . 1 . . . A 249 VAL HB . 17600 1 1125 . 1 1 96 96 VAL HG11 H 1 0.705 0.02 . 2 . . . . 249 VAL QG1 . 17600 1 1126 . 1 1 96 96 VAL HG12 H 1 0.705 0.02 . 2 . . . . 249 VAL QG1 . 17600 1 1127 . 1 1 96 96 VAL HG13 H 1 0.705 0.02 . 2 . . . . 249 VAL QG1 . 17600 1 1128 . 1 1 96 96 VAL HG21 H 1 0.797 0.02 . 2 . . . . 249 VAL QG2 . 17600 1 1129 . 1 1 96 96 VAL HG22 H 1 0.797 0.02 . 2 . . . . 249 VAL QG2 . 17600 1 1130 . 1 1 96 96 VAL HG23 H 1 0.797 0.02 . 2 . . . . 249 VAL QG2 . 17600 1 1131 . 1 1 96 96 VAL C C 13 174.712 0.1 . 1 . . . A 249 VAL C . 17600 1 1132 . 1 1 96 96 VAL CA C 13 58.254 0.1 . 1 . . . A 249 VAL CA . 17600 1 1133 . 1 1 96 96 VAL CB C 13 36.274 0.1 . 1 . . . A 249 VAL CB . 17600 1 1134 . 1 1 96 96 VAL CG1 C 13 21.499 0.1 . 1 . . . A 249 VAL CG1 . 17600 1 1135 . 1 1 96 96 VAL CG2 C 13 18.696 0.1 . 1 . . . A 249 VAL CG2 . 17600 1 1136 . 1 1 96 96 VAL N N 15 120.875 0.1 . 1 . . . A 249 VAL N . 17600 1 1137 . 1 1 97 97 LYS H H 1 9.180 0.02 . 1 . . . . 250 LYS H . 17600 1 1138 . 1 1 97 97 LYS HA H 1 5.130 0.02 . 1 . . . A 250 LYS HA . 17600 1 1139 . 1 1 97 97 LYS HB2 H 1 1.927 0.02 . 2 . . . . 250 LYS HB2 . 17600 1 1140 . 1 1 97 97 LYS HB3 H 1 1.489 0.02 . 2 . . . . 250 LYS HB3 . 17600 1 1141 . 1 1 97 97 LYS HG2 H 1 1.478 0.02 . 2 . . . . 250 LYS HG2 . 17600 1 1142 . 1 1 97 97 LYS HG3 H 1 1.346 0.02 . 2 . . . . 250 LYS HG3 . 17600 1 1143 . 1 1 97 97 LYS HD2 H 1 1.746 0.02 . 2 . . . . 250 LYS HD2 . 17600 1 1144 . 1 1 97 97 LYS HD3 H 1 1.739 0.02 . 2 . . . . 250 LYS HD3 . 17600 1 1145 . 1 1 97 97 LYS HE2 H 1 3.009 0.02 . 1 . . . . 250 LYS HE2 . 17600 1 1146 . 1 1 97 97 LYS HE3 H 1 3.009 0.02 . 1 . . . . 250 LYS HE3 . 17600 1 1147 . 1 1 97 97 LYS C C 13 172.342 0.1 . 1 . . . A 250 LYS C . 17600 1 1148 . 1 1 97 97 LYS CA C 13 53.010 0.1 . 1 . . . A 250 LYS CA . 17600 1 1149 . 1 1 97 97 LYS CB C 13 34.749 0.1 . 1 . . . A 250 LYS CB . 17600 1 1150 . 1 1 97 97 LYS CG C 13 25.035 0.1 . 1 . . . A 250 LYS CG . 17600 1 1151 . 1 1 97 97 LYS CD C 13 29.890 0.1 . 1 . . . A 250 LYS CD . 17600 1 1152 . 1 1 97 97 LYS CE C 13 42.191 0.1 . 1 . . . A 250 LYS CE . 17600 1 1153 . 1 1 97 97 LYS N N 15 123.882 0.1 . 1 . . . A 250 LYS N . 17600 1 1154 . 1 1 98 98 PRO HA H 1 4.422 0.02 . 1 . . . A 251 PRO HA . 17600 1 1155 . 1 1 98 98 PRO HB2 H 1 2.373 0.02 . 2 . . . . 251 PRO HB2 . 17600 1 1156 . 1 1 98 98 PRO HB3 H 1 1.936 0.02 . 2 . . . . 251 PRO HB3 . 17600 1 1157 . 1 1 98 98 PRO HG2 H 1 2.093 0.02 . 2 . . . . 251 PRO HG2 . 17600 1 1158 . 1 1 98 98 PRO HG3 H 1 1.774 0.02 . 2 . . . . 251 PRO HG3 . 17600 1 1159 . 1 1 98 98 PRO HD2 H 1 4.026 0.02 . 2 . . . . 251 PRO HD2 . 17600 1 1160 . 1 1 98 98 PRO HD3 H 1 3.822 0.02 . 2 . . . . 251 PRO HD3 . 17600 1 1161 . 1 1 98 98 PRO C C 13 177.090 0.1 . 1 . . . A 251 PRO C . 17600 1 1162 . 1 1 98 98 PRO CA C 13 62.857 0.1 . 1 . . . A 251 PRO CA . 17600 1 1163 . 1 1 98 98 PRO CB C 13 33.131 0.1 . 1 . . . A 251 PRO CB . 17600 1 1164 . 1 1 98 98 PRO CG C 13 27.954 0.1 . 1 . . . A 251 PRO CG . 17600 1 1165 . 1 1 98 98 PRO CD C 13 52.221 0.1 . 1 . . . A 251 PRO CD . 17600 1 1166 . 1 1 99 99 ALA H H 1 9.541 0.02 . 1 . . . . 252 ALA H . 17600 1 1167 . 1 1 99 99 ALA HA H 1 4.290 0.02 . 1 . . . A 252 ALA HA . 17600 1 1168 . 1 1 99 99 ALA HB1 H 1 1.438 0.02 . 1 . . . . 252 ALA QB . 17600 1 1169 . 1 1 99 99 ALA HB2 H 1 1.438 0.02 . 1 . . . . 252 ALA QB . 17600 1 1170 . 1 1 99 99 ALA HB3 H 1 1.438 0.02 . 1 . . . . 252 ALA QB . 17600 1 1171 . 1 1 99 99 ALA C C 13 178.565 0.1 . 1 . . . A 252 ALA C . 17600 1 1172 . 1 1 99 99 ALA CA C 13 53.787 0.1 . 1 . . . A 252 ALA CA . 17600 1 1173 . 1 1 99 99 ALA CB C 13 19.400 0.1 . 1 . . . A 252 ALA CB . 17600 1 1174 . 1 1 99 99 ALA N N 15 126.577 0.1 . 1 . . . A 252 ALA N . 17600 1 1175 . 1 1 100 100 ASN H H 1 8.548 0.02 . 1 . . . . 253 ASN H . 17600 1 1176 . 1 1 100 100 ASN HA H 1 4.682 0.02 . 1 . . . A 253 ASN HA . 17600 1 1177 . 1 1 100 100 ASN HB2 H 1 2.828 0.02 . 1 . . . . 253 ASN HB2 . 17600 1 1178 . 1 1 100 100 ASN HB3 H 1 2.828 0.02 . 1 . . . . 253 ASN HB3 . 17600 1 1179 . 1 1 100 100 ASN HD21 H 1 7.630 0.02 . 2 . . . . 253 ASN HD21 . 17600 1 1180 . 1 1 100 100 ASN HD22 H 1 6.915 0.02 . 2 . . . . 253 ASN HD22 . 17600 1 1181 . 1 1 100 100 ASN C C 13 174.967 0.1 . 1 . . . A 253 ASN C . 17600 1 1182 . 1 1 100 100 ASN CA C 13 53.333 0.1 . 1 . . . A 253 ASN CA . 17600 1 1183 . 1 1 100 100 ASN CB C 13 38.954 0.1 . 1 . . . A 253 ASN CB . 17600 1 1184 . 1 1 100 100 ASN N N 15 115.977 0.1 . 1 . . . A 253 ASN N . 17600 1 1185 . 1 1 100 100 ASN ND2 N 15 112.755 0.1 . 1 . . . A 253 ASN ND2 . 17600 1 1186 . 1 1 101 101 GLN H H 1 8.241 0.02 . 1 . . . . 254 GLN H . 17600 1 1187 . 1 1 101 101 GLN HA H 1 4.363 0.02 . 1 . . . A 254 GLN HA . 17600 1 1188 . 1 1 101 101 GLN HB2 H 1 2.191 0.02 . 2 . . . . 254 GLN HB2 . 17600 1 1189 . 1 1 101 101 GLN HB3 H 1 1.963 0.02 . 2 . . . . 254 GLN HB3 . 17600 1 1190 . 1 1 101 101 GLN HG2 H 1 2.376 0.02 . 1 . . . . 254 GLN HG2 . 17600 1 1191 . 1 1 101 101 GLN HG3 H 1 2.376 0.02 . 1 . . . . 254 GLN HG3 . 17600 1 1192 . 1 1 101 101 GLN HE21 H 1 7.664 0.02 . 2 . . . . 254 GLN HE21 . 17600 1 1193 . 1 1 101 101 GLN HE22 H 1 6.924 0.02 . 2 . . . . 254 GLN HE22 . 17600 1 1194 . 1 1 101 101 GLN C C 13 174.988 0.1 . 1 . . . A 254 GLN C . 17600 1 1195 . 1 1 101 101 GLN CA C 13 56.110 0.1 . 1 . . . A 254 GLN CA . 17600 1 1196 . 1 1 101 101 GLN CB C 13 29.896 0.1 . 1 . . . A 254 GLN CB . 17600 1 1197 . 1 1 101 101 GLN CG C 13 34.102 0.1 . 1 . . . A 254 GLN CG . 17600 1 1198 . 1 1 101 101 GLN N N 15 120.602 0.1 . 1 . . . A 254 GLN N . 17600 1 1199 . 1 1 101 101 GLN NE2 N 15 112.701 0.1 . 1 . . . A 254 GLN NE2 . 17600 1 1200 . 1 1 102 102 ARG H H 1 8.004 0.02 . 1 . . . . 255 ARG H . 17600 1 1201 . 1 1 102 102 ARG HA H 1 4.188 0.02 . 1 . . . A 255 ARG HA . 17600 1 1202 . 1 1 102 102 ARG HB2 H 1 1.866 0.02 . 2 . . . . 255 ARG HB2 . 17600 1 1203 . 1 1 102 102 ARG HB3 H 1 1.756 0.02 . 2 . . . . 255 ARG HB3 . 17600 1 1204 . 1 1 102 102 ARG HG2 H 1 1.613 0.02 . 1 . . . . 255 ARG HG2 . 17600 1 1205 . 1 1 102 102 ARG HG3 H 1 1.613 0.02 . 1 . . . . 255 ARG HG3 . 17600 1 1206 . 1 1 102 102 ARG HD2 H 1 3.220 0.02 . 1 . . . . 255 ARG HD2 . 17600 1 1207 . 1 1 102 102 ARG HD3 H 1 3.220 0.02 . 1 . . . . 255 ARG HD3 . 17600 1 1208 . 1 1 102 102 ARG C C 13 180.985 0.1 . 1 . . . A 255 ARG C . 17600 1 1209 . 1 1 102 102 ARG CA C 13 58.042 0.1 . 1 . . . A 255 ARG CA . 17600 1 1210 . 1 1 102 102 ARG CB C 13 31.837 0.1 . 1 . . . A 255 ARG CB . 17600 1 1211 . 1 1 102 102 ARG CG C 13 27.307 0.1 . 1 . . . A 255 ARG CG . 17600 1 1212 . 1 1 102 102 ARG N N 15 127.635 0.1 . 1 . . . A 255 ARG N . 17600 1 stop_ save_