data_27977 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27977 _Entry.Title ; Solution structure of the PUB domain of human UBXD1 protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-07-17 _Entry.Accession_date 2019-07-17 _Entry.Last_release_date 2019-07-18 _Entry.Original_release_date 2019-07-18 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.1.32 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Christine Beuck . . . . 27977 2 Peter Bayer . . . . 27977 3 Mike Blueggel . . . . 27977 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Bayer group, Structural and Medicinal Biochemistry, University of Duisburg-Essen, Germany' . 27977 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27977 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 535 27977 '15N chemical shifts' 117 27977 '1H chemical shifts' 811 27977 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 . . 2019-12-17 . original BMRB . 27977 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6SAP 'Solution structure of the PUB domain of human UBXD1 protein' 27977 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 27977 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.3390/biom9120876 _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Structure of the PUB Domain from Ubiquitin Regulatory X Domain Protein 1 (UBXD1) and Its Interaction with the p97 AAA+ ATPase ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biomolecules _Citation.Journal_name_full . _Citation.Journal_volume 9 _Citation.Journal_issue 12 _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 876 _Citation.Page_last 876 _Citation.Year 2019 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Mike Blueggel . . . . 27977 1 2 Johannes 'van den Boom' . . . . 27977 1 3 Hemmo Meyer . . . . 27977 1 4 Peter Bayer . . . . 27977 1 5 Christine Beuck . . . . 27977 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'NMR solution structure' 27977 1 'PUB domain' 27977 1 UBXD1 27977 1 p97 27977 1 'protein interaction' 27977 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27977 _Assembly.ID 1 _Assembly.Name 'UBXD1-PUB domain' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 13804 _Assembly.Enzyme_commission_number . _Assembly.Details monomeric _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 'UBXD1-PUB domain' 1 $UBXD1-PUB_domain A . yes native no no . . . 27977 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_UBXD1-PUB_domain _Entity.Sf_category entity _Entity.Sf_framecode UBXD1-PUB_domain _Entity.Entry_ID 27977 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name UBXD1-PUB_domain _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSHMSTDPVAASIMKIYTFN KDQDRVKLGVDTIAKYLDNI HLHPEEEKYRKIKLQNKVFQ ERINCLEGTHEFFEAIGFQK VLLPAQDQEDPEEFYVLSET TLAQPQSLERHKEQLLAAE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues -4 to -1 represent 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 119 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'UBXD1/UBXN6 PUB domain' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13804 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . yes UNP Q9BZV1 . UBXN6_HUMAN . . . . . . . . . . . . . . 27977 1 . yes PDB 6SAP . UBXN6_HUMAN . . . . . . . . . . . . . . 27977 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'p97 binding; ERAD pathway; mitophagy' 27977 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 -4 GLY . 27977 1 2 -3 SER . 27977 1 3 -2 HIS . 27977 1 4 -1 MET . 27977 1 5 150 SER . 27977 1 6 151 THR . 27977 1 7 152 ASP . 27977 1 8 153 PRO . 27977 1 9 154 VAL . 27977 1 10 155 ALA . 27977 1 11 156 ALA . 27977 1 12 157 SER . 27977 1 13 158 ILE . 27977 1 14 159 MET . 27977 1 15 160 LYS . 27977 1 16 161 ILE . 27977 1 17 162 TYR . 27977 1 18 163 THR . 27977 1 19 164 PHE . 27977 1 20 165 ASN . 27977 1 21 166 LYS . 27977 1 22 167 ASP . 27977 1 23 168 GLN . 27977 1 24 169 ASP . 27977 1 25 170 ARG . 27977 1 26 171 VAL . 27977 1 27 172 LYS . 27977 1 28 173 LEU . 27977 1 29 174 GLY . 27977 1 30 175 VAL . 27977 1 31 176 ASP . 27977 1 32 177 THR . 27977 1 33 178 ILE . 27977 1 34 179 ALA . 27977 1 35 180 LYS . 27977 1 36 181 TYR . 27977 1 37 182 LEU . 27977 1 38 183 ASP . 27977 1 39 184 ASN . 27977 1 40 185 ILE . 27977 1 41 186 HIS . 27977 1 42 187 LEU . 27977 1 43 188 HIS . 27977 1 44 189 PRO . 27977 1 45 190 GLU . 27977 1 46 191 GLU . 27977 1 47 192 GLU . 27977 1 48 193 LYS . 27977 1 49 194 TYR . 27977 1 50 195 ARG . 27977 1 51 196 LYS . 27977 1 52 197 ILE . 27977 1 53 198 LYS . 27977 1 54 199 LEU . 27977 1 55 200 GLN . 27977 1 56 201 ASN . 27977 1 57 202 LYS . 27977 1 58 203 VAL . 27977 1 59 204 PHE . 27977 1 60 205 GLN . 27977 1 61 206 GLU . 27977 1 62 207 ARG . 27977 1 63 208 ILE . 27977 1 64 209 ASN . 27977 1 65 210 CYS . 27977 1 66 211 LEU . 27977 1 67 212 GLU . 27977 1 68 213 GLY . 27977 1 69 214 THR . 27977 1 70 215 HIS . 27977 1 71 216 GLU . 27977 1 72 217 PHE . 27977 1 73 218 PHE . 27977 1 74 219 GLU . 27977 1 75 220 ALA . 27977 1 76 221 ILE . 27977 1 77 222 GLY . 27977 1 78 223 PHE . 27977 1 79 224 GLN . 27977 1 80 225 LYS . 27977 1 81 226 VAL . 27977 1 82 227 LEU . 27977 1 83 228 LEU . 27977 1 84 229 PRO . 27977 1 85 230 ALA . 27977 1 86 231 GLN . 27977 1 87 232 ASP . 27977 1 88 233 GLN . 27977 1 89 234 GLU . 27977 1 90 235 ASP . 27977 1 91 236 PRO . 27977 1 92 237 GLU . 27977 1 93 238 GLU . 27977 1 94 239 PHE . 27977 1 95 240 TYR . 27977 1 96 241 VAL . 27977 1 97 242 LEU . 27977 1 98 243 SER . 27977 1 99 244 GLU . 27977 1 100 245 THR . 27977 1 101 246 THR . 27977 1 102 247 LEU . 27977 1 103 248 ALA . 27977 1 104 249 GLN . 27977 1 105 250 PRO . 27977 1 106 251 GLN . 27977 1 107 252 SER . 27977 1 108 253 LEU . 27977 1 109 254 GLU . 27977 1 110 255 ARG . 27977 1 111 256 HIS . 27977 1 112 257 LYS . 27977 1 113 258 GLU . 27977 1 114 259 GLN . 27977 1 115 260 LEU . 27977 1 116 261 LEU . 27977 1 117 262 ALA . 27977 1 118 263 ALA . 27977 1 119 264 GLU . 27977 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 27977 1 . SER 2 2 27977 1 . HIS 3 3 27977 1 . MET 4 4 27977 1 . SER 5 5 27977 1 . THR 6 6 27977 1 . ASP 7 7 27977 1 . PRO 8 8 27977 1 . VAL 9 9 27977 1 . ALA 10 10 27977 1 . ALA 11 11 27977 1 . SER 12 12 27977 1 . ILE 13 13 27977 1 . MET 14 14 27977 1 . LYS 15 15 27977 1 . ILE 16 16 27977 1 . TYR 17 17 27977 1 . THR 18 18 27977 1 . PHE 19 19 27977 1 . ASN 20 20 27977 1 . LYS 21 21 27977 1 . ASP 22 22 27977 1 . GLN 23 23 27977 1 . ASP 24 24 27977 1 . ARG 25 25 27977 1 . VAL 26 26 27977 1 . LYS 27 27 27977 1 . LEU 28 28 27977 1 . GLY 29 29 27977 1 . VAL 30 30 27977 1 . ASP 31 31 27977 1 . THR 32 32 27977 1 . ILE 33 33 27977 1 . ALA 34 34 27977 1 . LYS 35 35 27977 1 . TYR 36 36 27977 1 . LEU 37 37 27977 1 . ASP 38 38 27977 1 . ASN 39 39 27977 1 . ILE 40 40 27977 1 . HIS 41 41 27977 1 . LEU 42 42 27977 1 . HIS 43 43 27977 1 . PRO 44 44 27977 1 . GLU 45 45 27977 1 . GLU 46 46 27977 1 . GLU 47 47 27977 1 . LYS 48 48 27977 1 . TYR 49 49 27977 1 . ARG 50 50 27977 1 . LYS 51 51 27977 1 . ILE 52 52 27977 1 . LYS 53 53 27977 1 . LEU 54 54 27977 1 . GLN 55 55 27977 1 . ASN 56 56 27977 1 . LYS 57 57 27977 1 . VAL 58 58 27977 1 . PHE 59 59 27977 1 . GLN 60 60 27977 1 . GLU 61 61 27977 1 . ARG 62 62 27977 1 . ILE 63 63 27977 1 . ASN 64 64 27977 1 . CYS 65 65 27977 1 . LEU 66 66 27977 1 . GLU 67 67 27977 1 . GLY 68 68 27977 1 . THR 69 69 27977 1 . HIS 70 70 27977 1 . GLU 71 71 27977 1 . PHE 72 72 27977 1 . PHE 73 73 27977 1 . GLU 74 74 27977 1 . ALA 75 75 27977 1 . ILE 76 76 27977 1 . GLY 77 77 27977 1 . PHE 78 78 27977 1 . GLN 79 79 27977 1 . LYS 80 80 27977 1 . VAL 81 81 27977 1 . LEU 82 82 27977 1 . LEU 83 83 27977 1 . PRO 84 84 27977 1 . ALA 85 85 27977 1 . GLN 86 86 27977 1 . ASP 87 87 27977 1 . GLN 88 88 27977 1 . GLU 89 89 27977 1 . ASP 90 90 27977 1 . PRO 91 91 27977 1 . GLU 92 92 27977 1 . GLU 93 93 27977 1 . PHE 94 94 27977 1 . TYR 95 95 27977 1 . VAL 96 96 27977 1 . LEU 97 97 27977 1 . SER 98 98 27977 1 . GLU 99 99 27977 1 . THR 100 100 27977 1 . THR 101 101 27977 1 . LEU 102 102 27977 1 . ALA 103 103 27977 1 . GLN 104 104 27977 1 . PRO 105 105 27977 1 . GLN 106 106 27977 1 . SER 107 107 27977 1 . LEU 108 108 27977 1 . GLU 109 109 27977 1 . ARG 110 110 27977 1 . HIS 111 111 27977 1 . LYS 112 112 27977 1 . GLU 113 113 27977 1 . GLN 114 114 27977 1 . LEU 115 115 27977 1 . LEU 116 116 27977 1 . ALA 117 117 27977 1 . ALA 118 118 27977 1 . GLU 119 119 27977 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 27977 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $UBXD1-PUB_domain . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27977 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 27977 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $UBXD1-PUB_domain . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli Rosetta2 . . . . . pET28a . . 'His6-tag was cleaved with Thrombin protease' 27977 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27977 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '15N,13C-labeled in water' _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 'UBXD1-PUB domain' '[U-98% 13C; U-98% 15N]' . . 1 $UBXD1-PUB_domain . . 600-900 . . uM . . . . 27977 1 2 'potassium phosphate' 'natural abundance' . . . . . . 16 . . mM . . . . 27977 1 3 'sodium phosphate' 'natural abundance' . . . . . . 34 . . mM . . . . 27977 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 27977 1 5 D2O [U-2H] . . . . . . 10 . . % . . . . 27977 1 6 DSS 'natural abundance' . . . . . . 0.1 . . mM . . . . 27977 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 27977 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '13C,15N-labeled in D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 'UBXD1-PUB domain' '[U-98% 13C; U-98% 15N]' . . 1 $UBXD1-PUB_domain . . 500 . . uM . . . . 27977 2 2 'potassium phosphate' 'natural abundance' . . . . . . 16 . . mM . . . . 27977 2 3 'sodium phosphate' 'natural abundance' . . . . . . 34 . . mM . . . . 27977 2 4 D2O '[U-99% 2H]' . . . . . . 100 . . % . . . . 27977 2 5 DSS 'natural abundance' . . . . . . 0.1 . . mM . . . . 27977 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 27977 _Sample.ID 3 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '15N-labeled in water' _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 'UBXD1-PUB domain' '[U-98% 15N]' . . 1 $UBXD1-PUB_domain . . 700 . . uM . . . . 27977 3 2 'potassium phosphate' 'natural abundance' . . . . . . 16 . . mM . . . . 27977 3 3 'sodium phosphate' 'natural abundance' . . . . . . 34 . . mM . . . . 27977 3 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 27977 3 5 D2O [U-2H] . . . . . . 10 . . % . . . . 27977 3 6 DSS 'natural abundance' . . . . . . 0.1 . . mM . . . . 27977 3 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 27977 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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 pH 6.5 . pH 27977 1 pressure 1 . atm 27977 1 temperature 273 . K 27977 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27977 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 'V. 3.5' _Software.DOI . _Software.Details 'Data acquisition & processing' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 27977 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 27977 1 . processing 27977 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 27977 _Software.ID 2 _Software.Type . _Software.Name CARA _Software.Version 1.6 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 27977 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 27977 2 . 'data analysis' 27977 2 . 'peak picking' 27977 2 stop_ save_ save_UNIO _Software.Sf_category software _Software.Sf_framecode UNIO _Software.Entry_ID 27977 _Software.ID 3 _Software.Type . _Software.Name UNIO _Software.Version 10 _Software.DOI . _Software.Details 'ATNOS/CANDID module, in conjunction with Cyana' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Herrmann . http://unio-nmr.fr/ 27977 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'NOE assignment' 27977 3 . 'NOESY peak picking' 27977 3 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 27977 _Software.ID 4 _Software.Type . _Software.Name CYANA _Software.Version 3.98.9 _Software.DOI . _Software.Details 'structure calculation in conjunction with UNIO' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 27977 4 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'structure solution' 27977 4 stop_ save_ save_YASARA _Software.Sf_category software _Software.Sf_framecode YASARA _Software.Entry_ID 27977 _Software.ID 5 _Software.Type . _Software.Name YASARA _Software.Version 11.12.31 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Krieger . http://www.yasara.org 27977 5 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . refinement 27977 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27977 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details 'inverse TCI cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 27977 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . 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 . 700 'inverse TCI cryoprobe' . . 27977 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 27977 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27977 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27977 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27977 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27977 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27977 1 6 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27977 1 7 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27977 1 8 '3D (H)C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27977 1 9 '3D 1H-15N TOCSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27977 1 10 '3D 1H-13C NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27977 1 11 '3D HC(C)H-COSY aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27977 1 12 '3D HC(C)H-TOCSY aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27977 1 13 '3D HC(C)H-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27977 1 14 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27977 1 15 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27977 1 16 '2D Histidin H(C)N-SOFAST-HMQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27977 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 27977 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 na indirect 0.251449530 . . . . . 27977 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 27977 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 27977 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 27977 1 2 '2D 1H-13C HSQC aliphatic' . . . 27977 1 3 '3D CBCA(CO)NH' . . . 27977 1 4 '3D HNCACB' . . . 27977 1 5 '3D HNCO' . . . 27977 1 6 '3D HN(CA)CO' . . . 27977 1 7 '3D H(CCO)NH' . . . 27977 1 8 '3D (H)C(CO)NH' . . . 27977 1 9 '3D 1H-15N TOCSY' . . . 27977 1 10 '3D 1H-13C NOESY' . . . 27977 1 11 '3D HC(C)H-COSY aliphatic' . . . 27977 1 12 '3D HC(C)H-TOCSY aliphatic' . . . 27977 1 13 '3D HC(C)H-TOCSY' . . . 27977 1 14 '3D 1H-13C NOESY aliphatic' . . . 27977 1 15 '3D 1H-13C NOESY aromatic' . . . 27977 1 16 '2D Histidin H(C)N-SOFAST-HMQC' . . . 27977 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $CARA . . 27977 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 5 5 SER H H 1 8.31 0.02 . 1 . . . . . 150 SER H . 27977 1 2 . 1 1 5 5 SER HA H 1 4.377 0.02 . 1 . . . . . 150 SER HA . 27977 1 3 . 1 1 5 5 SER HB2 H 1 3.722 0.02 . 1 . . . . . 150 SER HB2 . 27977 1 4 . 1 1 5 5 SER HB3 H 1 3.722 0.02 . 1 . . . . . 150 SER HB3 . 27977 1 5 . 1 1 5 5 SER C C 13 174.722 0.3 . 1 . . . . . 150 SER C . 27977 1 6 . 1 1 5 5 SER CA C 13 58.04 0.3 . 1 . . . . . 150 SER CA . 27977 1 7 . 1 1 5 5 SER CB C 13 63.675 0.3 . 1 . . . . . 150 SER CB . 27977 1 8 . 1 1 5 5 SER N N 15 116.998 0.3 . 1 . . . . . 150 SER N . 27977 1 9 . 1 1 6 6 THR H H 1 8.072 0.02 . 1 . . . . . 151 THR H . 27977 1 10 . 1 1 6 6 THR HA H 1 4.209 0.02 . 1 . . . . . 151 THR HA . 27977 1 11 . 1 1 6 6 THR HB H 1 4.157 0.02 . 1 . . . . . 151 THR HB . 27977 1 12 . 1 1 6 6 THR HG21 H 1 1.102 0.02 . 1 . . . . . 151 THR QG2 . 27977 1 13 . 1 1 6 6 THR HG22 H 1 1.102 0.02 . 1 . . . . . 151 THR QG2 . 27977 1 14 . 1 1 6 6 THR HG23 H 1 1.102 0.02 . 1 . . . . . 151 THR QG2 . 27977 1 15 . 1 1 6 6 THR C C 13 174.06 0.3 . 1 . . . . . 151 THR C . 27977 1 16 . 1 1 6 6 THR CA C 13 61.794 0.3 . 1 . . . . . 151 THR CA . 27977 1 17 . 1 1 6 6 THR CB C 13 69.469 0.3 . 1 . . . . . 151 THR CB . 27977 1 18 . 1 1 6 6 THR CG2 C 13 21.417 0.3 . 1 . . . . . 151 THR CG2 . 27977 1 19 . 1 1 6 6 THR N N 15 115.312 0.3 . 1 . . . . . 151 THR N . 27977 1 20 . 1 1 7 7 ASP H H 1 8.188 0.02 . 1 . . . . . 152 ASP H . 27977 1 21 . 1 1 7 7 ASP HA H 1 4.85 0.02 . 1 . . . . . 152 ASP HA . 27977 1 22 . 1 1 7 7 ASP HB2 H 1 2.686 0.02 . 2 . . . . . 152 ASP HB2 . 27977 1 23 . 1 1 7 7 ASP HB3 H 1 2.761 0.02 . 2 . . . . . 152 ASP HB3 . 27977 1 24 . 1 1 7 7 ASP CA C 13 51.679 0.3 . 1 . . . . . 152 ASP CA . 27977 1 25 . 1 1 7 7 ASP CB C 13 41.86 0.3 . 1 . . . . . 152 ASP CB . 27977 1 26 . 1 1 7 7 ASP N N 15 123.948 0.3 . 1 . . . . . 152 ASP N . 27977 1 27 . 1 1 8 8 PRO HA H 1 4.265 0.02 . 1 . . . . . 153 PRO HA . 27977 1 28 . 1 1 8 8 PRO HB2 H 1 1.87 0.02 . 2 . . . . . 153 PRO HB2 . 27977 1 29 . 1 1 8 8 PRO HB3 H 1 2.311 0.02 . 2 . . . . . 153 PRO HB3 . 27977 1 30 . 1 1 8 8 PRO HG2 H 1 2.007 0.02 . 1 . . . . . 153 PRO HG2 . 27977 1 31 . 1 1 8 8 PRO HG3 H 1 2.007 0.02 . 1 . . . . . 153 PRO HG3 . 27977 1 32 . 1 1 8 8 PRO HD2 H 1 3.848 0.02 . 2 . . . . . 153 PRO HD2 . 27977 1 33 . 1 1 8 8 PRO HD3 H 1 3.902 0.02 . 2 . . . . . 153 PRO HD3 . 27977 1 34 . 1 1 8 8 PRO C C 13 180.096 0.3 . 1 . . . . . 153 PRO C . 27977 1 35 . 1 1 8 8 PRO CA C 13 64.693 0.3 . 1 . . . . . 153 PRO CA . 27977 1 36 . 1 1 8 8 PRO CB C 13 32.21 0.3 . 1 . . . . . 153 PRO CB . 27977 1 37 . 1 1 8 8 PRO CG C 13 27.44 0.3 . 1 . . . . . 153 PRO CG . 27977 1 38 . 1 1 8 8 PRO CD C 13 50.812 0.3 . 1 . . . . . 153 PRO CD . 27977 1 39 . 1 1 9 9 VAL H H 1 8.066 0.02 . 1 . . . . . 154 VAL H . 27977 1 40 . 1 1 9 9 VAL HA H 1 3.235 0.02 . 1 . . . . . 154 VAL HA . 27977 1 41 . 1 1 9 9 VAL HB H 1 2.12 0.02 . 1 . . . . . 154 VAL HB . 27977 1 42 . 1 1 9 9 VAL HG11 H 1 0.319 0.02 . 1 . . . . . 154 VAL QG1 . 27977 1 43 . 1 1 9 9 VAL HG12 H 1 0.319 0.02 . 1 . . . . . 154 VAL QG1 . 27977 1 44 . 1 1 9 9 VAL HG13 H 1 0.319 0.02 . 1 . . . . . 154 VAL QG1 . 27977 1 45 . 1 1 9 9 VAL HG21 H 1 0.629 0.02 . 1 . . . . . 154 VAL QG2 . 27977 1 46 . 1 1 9 9 VAL HG22 H 1 0.629 0.02 . 1 . . . . . 154 VAL QG2 . 27977 1 47 . 1 1 9 9 VAL HG23 H 1 0.629 0.02 . 1 . . . . . 154 VAL QG2 . 27977 1 48 . 1 1 9 9 VAL C C 13 177.813 0.3 . 1 . . . . . 154 VAL C . 27977 1 49 . 1 1 9 9 VAL CA C 13 66.586 0.3 . 1 . . . . . 154 VAL CA . 27977 1 50 . 1 1 9 9 VAL CB C 13 30.786 0.3 . 1 . . . . . 154 VAL CB . 27977 1 51 . 1 1 9 9 VAL CG1 C 13 22.401 0.3 . 1 . . . . . 154 VAL CG1 . 27977 1 52 . 1 1 9 9 VAL CG2 C 13 20.629 0.3 . 1 . . . . . 154 VAL CG2 . 27977 1 53 . 1 1 9 9 VAL N N 15 120.44 0.3 . 1 . . . . . 154 VAL N . 27977 1 54 . 1 1 10 10 ALA H H 1 7.642 0.02 . 1 . . . . . 155 ALA H . 27977 1 55 . 1 1 10 10 ALA HA H 1 3.869 0.02 . 1 . . . . . 155 ALA HA . 27977 1 56 . 1 1 10 10 ALA HB1 H 1 1.389 0.02 . 1 . . . . . 155 ALA HB . 27977 1 57 . 1 1 10 10 ALA HB2 H 1 1.389 0.02 . 1 . . . . . 155 ALA HB . 27977 1 58 . 1 1 10 10 ALA HB3 H 1 1.389 0.02 . 1 . . . . . 155 ALA HB . 27977 1 59 . 1 1 10 10 ALA C C 13 180.801 0.3 . 1 . . . . . 155 ALA C . 27977 1 60 . 1 1 10 10 ALA CA C 13 55.226 0.3 . 1 . . . . . 155 ALA CA . 27977 1 61 . 1 1 10 10 ALA CB C 13 18.085 0.3 . 1 . . . . . 155 ALA CB . 27977 1 62 . 1 1 10 10 ALA N N 15 123.1 0.3 . 1 . . . . . 155 ALA N . 27977 1 63 . 1 1 11 11 ALA H H 1 8.427 0.02 . 1 . . . . . 156 ALA H . 27977 1 64 . 1 1 11 11 ALA HA H 1 4.031 0.02 . 1 . . . . . 156 ALA HA . 27977 1 65 . 1 1 11 11 ALA HB1 H 1 1.325 0.02 . 1 . . . . . 156 ALA HB . 27977 1 66 . 1 1 11 11 ALA HB2 H 1 1.325 0.02 . 1 . . . . . 156 ALA HB . 27977 1 67 . 1 1 11 11 ALA HB3 H 1 1.325 0.02 . 1 . . . . . 156 ALA HB . 27977 1 68 . 1 1 11 11 ALA C C 13 180.398 0.3 . 1 . . . . . 156 ALA C . 27977 1 69 . 1 1 11 11 ALA CA C 13 55.109 0.3 . 1 . . . . . 156 ALA CA . 27977 1 70 . 1 1 11 11 ALA CB C 13 18.223 0.3 . 1 . . . . . 156 ALA CB . 27977 1 71 . 1 1 11 11 ALA N N 15 118.938 0.3 . 1 . . . . . 156 ALA N . 27977 1 72 . 1 1 12 12 SER H H 1 7.632 0.02 . 1 . . . . . 157 SER H . 27977 1 73 . 1 1 12 12 SER HA H 1 4.001 0.02 . 1 . . . . . 157 SER HA . 27977 1 74 . 1 1 12 12 SER HB2 H 1 3.902 0.02 . 1 . . . . . 157 SER HB2 . 27977 1 75 . 1 1 12 12 SER HB3 H 1 3.902 0.02 . 1 . . . . . 157 SER HB3 . 27977 1 76 . 1 1 12 12 SER C C 13 175.817 0.3 . 1 . . . . . 157 SER C . 27977 1 77 . 1 1 12 12 SER CA C 13 62.023 0.3 . 1 . . . . . 157 SER CA . 27977 1 78 . 1 1 12 12 SER CB C 13 62.615 0.3 . 1 . . . . . 157 SER CB . 27977 1 79 . 1 1 12 12 SER N N 15 115.385 0.3 . 1 . . . . . 157 SER N . 27977 1 80 . 1 1 13 13 ILE H H 1 7.891 0.02 . 1 . . . . . 158 ILE H . 27977 1 81 . 1 1 13 13 ILE HA H 1 3.345 0.02 . 1 . . . . . 158 ILE HA . 27977 1 82 . 1 1 13 13 ILE HB H 1 1.789 0.02 . 1 . . . . . 158 ILE HB . 27977 1 83 . 1 1 13 13 ILE HG12 H 1 0.627 0.02 . 1 . . . . . 158 ILE HG12 . 27977 1 84 . 1 1 13 13 ILE HG13 H 1 0.627 0.02 . 1 . . . . . 158 ILE HG13 . 27977 1 85 . 1 1 13 13 ILE HG21 H 1 0.957 0.02 . 1 . . . . . 158 ILE QG2 . 27977 1 86 . 1 1 13 13 ILE HG22 H 1 0.957 0.02 . 1 . . . . . 158 ILE QG2 . 27977 1 87 . 1 1 13 13 ILE HG23 H 1 0.957 0.02 . 1 . . . . . 158 ILE QG2 . 27977 1 88 . 1 1 13 13 ILE HD11 H 1 0.739 0.02 . 1 . . . . . 158 ILE QD1 . 27977 1 89 . 1 1 13 13 ILE HD12 H 1 0.739 0.02 . 1 . . . . . 158 ILE QD1 . 27977 1 90 . 1 1 13 13 ILE HD13 H 1 0.739 0.02 . 1 . . . . . 158 ILE QD1 . 27977 1 91 . 1 1 13 13 ILE C C 13 177.457 0.3 . 1 . . . . . 158 ILE C . 27977 1 92 . 1 1 13 13 ILE CA C 13 66.182 0.3 . 1 . . . . . 158 ILE CA . 27977 1 93 . 1 1 13 13 ILE CB C 13 38.458 0.3 . 1 . . . . . 158 ILE CB . 27977 1 94 . 1 1 13 13 ILE CG1 C 13 30.342 0.3 . 1 . . . . . 158 ILE CG1 . 27977 1 95 . 1 1 13 13 ILE CG2 C 13 17.568 0.3 . 1 . . . . . 158 ILE CG2 . 27977 1 96 . 1 1 13 13 ILE CD1 C 13 14.374 0.3 . 1 . . . . . 158 ILE CD1 . 27977 1 97 . 1 1 13 13 ILE N N 15 124.5 0.3 . 1 . . . . . 158 ILE N . 27977 1 98 . 1 1 14 14 MET H H 1 7.84 0.02 . 1 . . . . . 159 MET H . 27977 1 99 . 1 1 14 14 MET HA H 1 4.231 0.02 . 1 . . . . . 159 MET HA . 27977 1 100 . 1 1 14 14 MET HB2 H 1 2.098 0.02 . 1 . . . . . 159 MET HB2 . 27977 1 101 . 1 1 14 14 MET HB3 H 1 2.098 0.02 . 1 . . . . . 159 MET HB3 . 27977 1 102 . 1 1 14 14 MET HE1 H 1 1.983 0.02 . 1 . . . . . 159 MET HE . 27977 1 103 . 1 1 14 14 MET HE2 H 1 1.983 0.02 . 1 . . . . . 159 MET HE . 27977 1 104 . 1 1 14 14 MET HE3 H 1 1.983 0.02 . 1 . . . . . 159 MET HE . 27977 1 105 . 1 1 14 14 MET C C 13 180.073 0.3 . 1 . . . . . 159 MET C . 27977 1 106 . 1 1 14 14 MET CA C 13 58.424 0.3 . 1 . . . . . 159 MET CA . 27977 1 107 . 1 1 14 14 MET CB C 13 31.418 0.3 . 1 . . . . . 159 MET CB . 27977 1 108 . 1 1 14 14 MET CG C 13 31.709 0.3 . 1 . . . . . 159 MET CG . 27977 1 109 . 1 1 14 14 MET CE C 13 16.718 0.3 . 1 . . . . . 159 MET CE . 27977 1 110 . 1 1 14 14 MET N N 15 117.162 0.3 . 1 . . . . . 159 MET N . 27977 1 111 . 1 1 15 15 LYS H H 1 7.809 0.02 . 1 . . . . . 160 LYS H . 27977 1 112 . 1 1 15 15 LYS HA H 1 3.566 0.02 . 1 . . . . . 160 LYS HA . 27977 1 113 . 1 1 15 15 LYS HB2 H 1 1.549 0.02 . 2 . . . . . 160 LYS HB2 . 27977 1 114 . 1 1 15 15 LYS HB3 H 1 1.731 0.02 . 2 . . . . . 160 LYS HB3 . 27977 1 115 . 1 1 15 15 LYS HG2 H 1 0.517 0.02 . 2 . . . . . 160 LYS HG2 . 27977 1 116 . 1 1 15 15 LYS HG3 H 1 0.834 0.02 . 2 . . . . . 160 LYS HG3 . 27977 1 117 . 1 1 15 15 LYS HD2 H 1 1.305 0.02 . 1 . . . . . 160 LYS HD2 . 27977 1 118 . 1 1 15 15 LYS HD3 H 1 1.305 0.02 . 1 . . . . . 160 LYS HD3 . 27977 1 119 . 1 1 15 15 LYS HE2 H 1 2.476 0.02 . 2 . . . . . 160 LYS HE2 . 27977 1 120 . 1 1 15 15 LYS HE3 H 1 2.515 0.02 . 2 . . . . . 160 LYS HE3 . 27977 1 121 . 1 1 15 15 LYS C C 13 178.024 0.3 . 1 . . . . . 160 LYS C . 27977 1 122 . 1 1 15 15 LYS CA C 13 60.496 0.3 . 1 . . . . . 160 LYS CA . 27977 1 123 . 1 1 15 15 LYS CB C 13 32.314 0.3 . 1 . . . . . 160 LYS CB . 27977 1 124 . 1 1 15 15 LYS CG C 13 24.779 0.3 . 1 . . . . . 160 LYS CG . 27977 1 125 . 1 1 15 15 LYS CD C 13 29.228 0.3 . 1 . . . . . 160 LYS CD . 27977 1 126 . 1 1 15 15 LYS CE C 13 41.472 0.3 . 1 . . . . . 160 LYS CE . 27977 1 127 . 1 1 15 15 LYS N N 15 122.384 0.3 . 1 . . . . . 160 LYS N . 27977 1 128 . 1 1 16 16 ILE H H 1 8.054 0.02 . 1 . . . . . 161 ILE H . 27977 1 129 . 1 1 16 16 ILE HA H 1 3.513 0.02 . 1 . . . . . 161 ILE HA . 27977 1 130 . 1 1 16 16 ILE HB H 1 1.689 0.02 . 1 . . . . . 161 ILE HB . 27977 1 131 . 1 1 16 16 ILE HG12 H 1 0.511 0.02 . 1 . . . . . 161 ILE HG12 . 27977 1 132 . 1 1 16 16 ILE HG13 H 1 0.511 0.02 . 1 . . . . . 161 ILE HG13 . 27977 1 133 . 1 1 16 16 ILE HG21 H 1 0.108 0.02 . 1 . . . . . 161 ILE QG2 . 27977 1 134 . 1 1 16 16 ILE HG22 H 1 0.108 0.02 . 1 . . . . . 161 ILE QG2 . 27977 1 135 . 1 1 16 16 ILE HG23 H 1 0.108 0.02 . 1 . . . . . 161 ILE QG2 . 27977 1 136 . 1 1 16 16 ILE HD11 H 1 0.177 0.02 . 1 . . . . . 161 ILE QD1 . 27977 1 137 . 1 1 16 16 ILE HD12 H 1 0.177 0.02 . 1 . . . . . 161 ILE QD1 . 27977 1 138 . 1 1 16 16 ILE HD13 H 1 0.177 0.02 . 1 . . . . . 161 ILE QD1 . 27977 1 139 . 1 1 16 16 ILE C C 13 178.646 0.3 . 1 . . . . . 161 ILE C . 27977 1 140 . 1 1 16 16 ILE CA C 13 64.687 0.3 . 1 . . . . . 161 ILE CA . 27977 1 141 . 1 1 16 16 ILE CB C 13 37.813 0.3 . 1 . . . . . 161 ILE CB . 27977 1 142 . 1 1 16 16 ILE CG1 C 13 28.55 0.3 . 1 . . . . . 161 ILE CG1 . 27977 1 143 . 1 1 16 16 ILE CG2 C 13 15.964 0.3 . 1 . . . . . 161 ILE CG2 . 27977 1 144 . 1 1 16 16 ILE CD1 C 13 13.641 0.3 . 1 . . . . . 161 ILE CD1 . 27977 1 145 . 1 1 16 16 ILE N N 15 119.43 0.3 . 1 . . . . . 161 ILE N . 27977 1 146 . 1 1 17 17 TYR H H 1 7.606 0.02 . 1 . . . . . 162 TYR H . 27977 1 147 . 1 1 17 17 TYR HA H 1 4.246 0.02 . 1 . . . . . 162 TYR HA . 27977 1 148 . 1 1 17 17 TYR HB2 H 1 2.717 0.02 . 2 . . . . . 162 TYR HB2 . 27977 1 149 . 1 1 17 17 TYR HB3 H 1 3.078 0.02 . 2 . . . . . 162 TYR HB3 . 27977 1 150 . 1 1 17 17 TYR HD1 H 1 7.276 0.02 . 1 . . . . . 162 TYR HD1 . 27977 1 151 . 1 1 17 17 TYR HD2 H 1 7.276 0.02 . 1 . . . . . 162 TYR HD2 . 27977 1 152 . 1 1 17 17 TYR HE1 H 1 6.66 0.02 . 1 . . . . . 162 TYR HE1 . 27977 1 153 . 1 1 17 17 TYR HE2 H 1 6.66 0.02 . 1 . . . . . 162 TYR HE2 . 27977 1 154 . 1 1 17 17 TYR C C 13 177.885 0.3 . 1 . . . . . 162 TYR C . 27977 1 155 . 1 1 17 17 TYR CA C 13 62.246 0.3 . 1 . . . . . 162 TYR CA . 27977 1 156 . 1 1 17 17 TYR CB C 13 39.176 0.3 . 1 . . . . . 162 TYR CB . 27977 1 157 . 1 1 17 17 TYR CD1 C 13 132.738 0.3 . 1 . . . . . 162 TYR CD1 . 27977 1 158 . 1 1 17 17 TYR CD2 C 13 132.738 0.3 . 1 . . . . . 162 TYR CD2 . 27977 1 159 . 1 1 17 17 TYR CE1 C 13 117.601 0.3 . 1 . . . . . 162 TYR CE1 . 27977 1 160 . 1 1 17 17 TYR CE2 C 13 117.601 0.3 . 1 . . . . . 162 TYR CE2 . 27977 1 161 . 1 1 17 17 TYR N N 15 111.853 0.3 . 1 . . . . . 162 TYR N . 27977 1 162 . 1 1 18 18 THR H H 1 8.163 0.02 . 1 . . . . . 163 THR H . 27977 1 163 . 1 1 18 18 THR HA H 1 4.566 0.02 . 1 . . . . . 163 THR HA . 27977 1 164 . 1 1 18 18 THR HB H 1 4.112 0.02 . 1 . . . . . 163 THR HB . 27977 1 165 . 1 1 18 18 THR HG21 H 1 1.146 0.02 . 1 . . . . . 163 THR QG2 . 27977 1 166 . 1 1 18 18 THR HG22 H 1 1.146 0.02 . 1 . . . . . 163 THR QG2 . 27977 1 167 . 1 1 18 18 THR HG23 H 1 1.146 0.02 . 1 . . . . . 163 THR QG2 . 27977 1 168 . 1 1 18 18 THR C C 13 176.387 0.3 . 1 . . . . . 163 THR C . 27977 1 169 . 1 1 18 18 THR CA C 13 63.596 0.3 . 1 . . . . . 163 THR CA . 27977 1 170 . 1 1 18 18 THR CB C 13 70.866 0.3 . 1 . . . . . 163 THR CB . 27977 1 171 . 1 1 18 18 THR CG2 C 13 21.113 0.3 . 1 . . . . . 163 THR CG2 . 27977 1 172 . 1 1 18 18 THR N N 15 108.51 0.3 . 1 . . . . . 163 THR N . 27977 1 173 . 1 1 19 19 PHE H H 1 8.935 0.02 . 1 . . . . . 164 PHE H . 27977 1 174 . 1 1 19 19 PHE HA H 1 4.491 0.02 . 1 . . . . . 164 PHE HA . 27977 1 175 . 1 1 19 19 PHE HB2 H 1 2.996 0.02 . 2 . . . . . 164 PHE HB2 . 27977 1 176 . 1 1 19 19 PHE HB3 H 1 3.172 0.02 . 2 . . . . . 164 PHE HB3 . 27977 1 177 . 1 1 19 19 PHE HD1 H 1 7.261 0.02 . 1 . . . . . 164 PHE HD1 . 27977 1 178 . 1 1 19 19 PHE HD2 H 1 7.261 0.02 . 1 . . . . . 164 PHE HD2 . 27977 1 179 . 1 1 19 19 PHE HE1 H 1 7.271 0.02 . 1 . . . . . 164 PHE HE1 . 27977 1 180 . 1 1 19 19 PHE HE2 H 1 7.271 0.02 . 1 . . . . . 164 PHE HE2 . 27977 1 181 . 1 1 19 19 PHE HZ H 1 7.226 0.02 . 1 . . . . . 164 PHE HZ . 27977 1 182 . 1 1 19 19 PHE C C 13 175.269 0.3 . 1 . . . . . 164 PHE C . 27977 1 183 . 1 1 19 19 PHE CA C 13 58.292 0.3 . 1 . . . . . 164 PHE CA . 27977 1 184 . 1 1 19 19 PHE CB C 13 37.66 0.3 . 1 . . . . . 164 PHE CB . 27977 1 185 . 1 1 19 19 PHE CD1 C 13 130.517 0.3 . 1 . . . . . 164 PHE CD1 . 27977 1 186 . 1 1 19 19 PHE CD2 C 13 130.517 0.3 . 1 . . . . . 164 PHE CD2 . 27977 1 187 . 1 1 19 19 PHE CE1 C 13 131.311 0.3 . 1 . . . . . 164 PHE CE1 . 27977 1 188 . 1 1 19 19 PHE CE2 C 13 131.311 0.3 . 1 . . . . . 164 PHE CE2 . 27977 1 189 . 1 1 19 19 PHE CZ C 13 129.697 0.3 . 1 . . . . . 164 PHE CZ . 27977 1 190 . 1 1 19 19 PHE N N 15 121.874 0.3 . 1 . . . . . 164 PHE N . 27977 1 191 . 1 1 20 20 ASN H H 1 6.528 0.02 . 1 . . . . . 165 ASN H . 27977 1 192 . 1 1 20 20 ASN HA H 1 4.837 0.02 . 1 . . . . . 165 ASN HA . 27977 1 193 . 1 1 20 20 ASN HB2 H 1 2.509 0.02 . 2 . . . . . 165 ASN HB2 . 27977 1 194 . 1 1 20 20 ASN HB3 H 1 2.533 0.02 . 2 . . . . . 165 ASN HB3 . 27977 1 195 . 1 1 20 20 ASN C C 13 173.771 0.3 . 1 . . . . . 165 ASN C . 27977 1 196 . 1 1 20 20 ASN CA C 13 52.4 0.3 . 1 . . . . . 165 ASN CA . 27977 1 197 . 1 1 20 20 ASN CB C 13 41.478 0.3 . 1 . . . . . 165 ASN CB . 27977 1 198 . 1 1 20 20 ASN N N 15 114.868 0.3 . 1 . . . . . 165 ASN N . 27977 1 199 . 1 1 21 21 LYS H H 1 9.72 0.02 . 1 . . . . . 166 LYS H . 27977 1 200 . 1 1 21 21 LYS HA H 1 4.091 0.02 . 1 . . . . . 166 LYS HA . 27977 1 201 . 1 1 21 21 LYS C C 13 176.672 0.3 . 1 . . . . . 166 LYS C . 27977 1 202 . 1 1 21 21 LYS CA C 13 57.211 0.3 . 1 . . . . . 166 LYS CA . 27977 1 203 . 1 1 21 21 LYS CB C 13 32.543 0.3 . 1 . . . . . 166 LYS CB . 27977 1 204 . 1 1 21 21 LYS CG C 13 24.598 0.3 . 1 . . . . . 166 LYS CG . 27977 1 205 . 1 1 21 21 LYS CD C 13 28.273 0.3 . 1 . . . . . 166 LYS CD . 27977 1 206 . 1 1 21 21 LYS CE C 13 43.155 0.3 . 1 . . . . . 166 LYS CE . 27977 1 207 . 1 1 21 21 LYS N N 15 123.948 0.3 . 1 . . . . . 166 LYS N . 27977 1 208 . 1 1 22 22 ASP H H 1 8.012 0.02 . 1 . . . . . 167 ASP H . 27977 1 209 . 1 1 22 22 ASP HA H 1 4.697 0.02 . 1 . . . . . 167 ASP HA . 27977 1 210 . 1 1 22 22 ASP HB2 H 1 2.449 0.02 . 2 . . . . . 167 ASP HB2 . 27977 1 211 . 1 1 22 22 ASP HB3 H 1 2.898 0.02 . 2 . . . . . 167 ASP HB3 . 27977 1 212 . 1 1 22 22 ASP C C 13 176.244 0.3 . 1 . . . . . 167 ASP C . 27977 1 213 . 1 1 22 22 ASP CA C 13 52.921 0.3 . 1 . . . . . 167 ASP CA . 27977 1 214 . 1 1 22 22 ASP CB C 13 40.715 0.3 . 1 . . . . . 167 ASP CB . 27977 1 215 . 1 1 22 22 ASP N N 15 118.595 0.3 . 1 . . . . . 167 ASP N . 27977 1 216 . 1 1 23 23 GLN H H 1 8.845 0.02 . 1 . . . . . 168 GLN H . 27977 1 217 . 1 1 23 23 GLN HA H 1 3.845 0.02 . 1 . . . . . 168 GLN HA . 27977 1 218 . 1 1 23 23 GLN HB2 H 1 2.041 0.02 . 2 . . . . . 168 GLN HB2 . 27977 1 219 . 1 1 23 23 GLN HB3 H 1 2.177 0.02 . 2 . . . . . 168 GLN HB3 . 27977 1 220 . 1 1 23 23 GLN HG2 H 1 2.461 0.02 . 1 . . . . . 168 GLN HG2 . 27977 1 221 . 1 1 23 23 GLN HG3 H 1 2.461 0.02 . 1 . . . . . 168 GLN HG3 . 27977 1 222 . 1 1 23 23 GLN HE21 H 1 6.909 0.02 . 1 . . . . . 168 GLN HE21 . 27977 1 223 . 1 1 23 23 GLN HE22 H 1 7.251 0.02 . 1 . . . . . 168 GLN HE22 . 27977 1 224 . 1 1 23 23 GLN C C 13 178.408 0.3 . 1 . . . . . 168 GLN C . 27977 1 225 . 1 1 23 23 GLN CA C 13 58.352 0.3 . 1 . . . . . 168 GLN CA . 27977 1 226 . 1 1 23 23 GLN CB C 13 28.189 0.3 . 1 . . . . . 168 GLN CB . 27977 1 227 . 1 1 23 23 GLN CG C 13 34.018 0.3 . 1 . . . . . 168 GLN CG . 27977 1 228 . 1 1 23 23 GLN N N 15 125.684 0.3 . 1 . . . . . 168 GLN N . 27977 1 229 . 1 1 23 23 GLN NE2 N 15 113.215 0.3 . 1 . . . . . 168 GLN NE2 . 27977 1 230 . 1 1 24 24 ASP H H 1 8.353 0.02 . 1 . . . . . 169 ASP H . 27977 1 231 . 1 1 24 24 ASP HA H 1 4.397 0.02 . 1 . . . . . 169 ASP HA . 27977 1 232 . 1 1 24 24 ASP HB2 H 1 2.561 0.02 . 2 . . . . . 169 ASP HB2 . 27977 1 233 . 1 1 24 24 ASP HB3 H 1 2.755 0.02 . 2 . . . . . 169 ASP HB3 . 27977 1 234 . 1 1 24 24 ASP C C 13 179.187 0.3 . 1 . . . . . 169 ASP C . 27977 1 235 . 1 1 24 24 ASP CA C 13 57.288 0.3 . 1 . . . . . 169 ASP CA . 27977 1 236 . 1 1 24 24 ASP CB C 13 39.722 0.3 . 1 . . . . . 169 ASP CB . 27977 1 237 . 1 1 24 24 ASP N N 15 120.533 0.3 . 1 . . . . . 169 ASP N . 27977 1 238 . 1 1 25 25 ARG H H 1 7.61 0.02 . 1 . . . . . 170 ARG H . 27977 1 239 . 1 1 25 25 ARG HA H 1 3.899 0.02 . 1 . . . . . 170 ARG HA . 27977 1 240 . 1 1 25 25 ARG HB2 H 1 1.764 0.02 . 1 . . . . . 170 ARG HB2 . 27977 1 241 . 1 1 25 25 ARG HB3 H 1 1.764 0.02 . 1 . . . . . 170 ARG HB3 . 27977 1 242 . 1 1 25 25 ARG HG2 H 1 1.512 0.02 . 2 . . . . . 170 ARG HG2 . 27977 1 243 . 1 1 25 25 ARG HG3 H 1 1.72 0.02 . 2 . . . . . 170 ARG HG3 . 27977 1 244 . 1 1 25 25 ARG HD2 H 1 3.12 0.02 . 1 . . . . . 170 ARG HD2 . 27977 1 245 . 1 1 25 25 ARG HD3 H 1 3.12 0.02 . 1 . . . . . 170 ARG HD3 . 27977 1 246 . 1 1 25 25 ARG C C 13 180.326 0.3 . 1 . . . . . 170 ARG C . 27977 1 247 . 1 1 25 25 ARG CA C 13 58.892 0.3 . 1 . . . . . 170 ARG CA . 27977 1 248 . 1 1 25 25 ARG CB C 13 29.793 0.3 . 1 . . . . . 170 ARG CB . 27977 1 249 . 1 1 25 25 ARG CG C 13 27.663 0.3 . 1 . . . . . 170 ARG CG . 27977 1 250 . 1 1 25 25 ARG CD C 13 43.31 0.3 . 1 . . . . . 170 ARG CD . 27977 1 251 . 1 1 25 25 ARG N N 15 121.232 0.3 . 1 . . . . . 170 ARG N . 27977 1 252 . 1 1 26 26 VAL H H 1 7.991 0.02 . 1 . . . . . 171 VAL H . 27977 1 253 . 1 1 26 26 VAL HA H 1 3.296 0.02 . 1 . . . . . 171 VAL HA . 27977 1 254 . 1 1 26 26 VAL HB H 1 1.96 0.02 . 1 . . . . . 171 VAL HB . 27977 1 255 . 1 1 26 26 VAL HG11 H 1 0.867 0.02 . 1 . . . . . 171 VAL QG1 . 27977 1 256 . 1 1 26 26 VAL HG12 H 1 0.867 0.02 . 1 . . . . . 171 VAL QG1 . 27977 1 257 . 1 1 26 26 VAL HG13 H 1 0.867 0.02 . 1 . . . . . 171 VAL QG1 . 27977 1 258 . 1 1 26 26 VAL HG21 H 1 0.377 0.02 . 1 . . . . . 171 VAL QG2 . 27977 1 259 . 1 1 26 26 VAL HG22 H 1 0.377 0.02 . 1 . . . . . 171 VAL QG2 . 27977 1 260 . 1 1 26 26 VAL HG23 H 1 0.377 0.02 . 1 . . . . . 171 VAL QG2 . 27977 1 261 . 1 1 26 26 VAL C C 13 176.79 0.3 . 1 . . . . . 171 VAL C . 27977 1 262 . 1 1 26 26 VAL CA C 13 67.099 0.3 . 1 . . . . . 171 VAL CA . 27977 1 263 . 1 1 26 26 VAL CB C 13 31.51 0.3 . 1 . . . . . 171 VAL CB . 27977 1 264 . 1 1 26 26 VAL CG1 C 13 24.551 0.3 . 1 . . . . . 171 VAL CG1 . 27977 1 265 . 1 1 26 26 VAL CG2 C 13 21.922 0.3 . 1 . . . . . 171 VAL CG2 . 27977 1 266 . 1 1 26 26 VAL N N 15 121.872 0.3 . 1 . . . . . 171 VAL N . 27977 1 267 . 1 1 27 27 LYS H H 1 7.839 0.02 . 1 . . . . . 172 LYS H . 27977 1 268 . 1 1 27 27 LYS HA H 1 3.844 0.02 . 1 . . . . . 172 LYS HA . 27977 1 269 . 1 1 27 27 LYS HB2 H 1 1.86 0.02 . 1 . . . . . 172 LYS HB2 . 27977 1 270 . 1 1 27 27 LYS HB3 H 1 1.86 0.02 . 1 . . . . . 172 LYS HB3 . 27977 1 271 . 1 1 27 27 LYS HG2 H 1 1.374 0.02 . 2 . . . . . 172 LYS HG2 . 27977 1 272 . 1 1 27 27 LYS HG3 H 1 1.472 0.02 . 2 . . . . . 172 LYS HG3 . 27977 1 273 . 1 1 27 27 LYS HD2 H 1 1.603 0.02 . 1 . . . . . 172 LYS HD2 . 27977 1 274 . 1 1 27 27 LYS HD3 H 1 1.603 0.02 . 1 . . . . . 172 LYS HD3 . 27977 1 275 . 1 1 27 27 LYS HE2 H 1 2.917 0.02 . 1 . . . . . 172 LYS HE2 . 27977 1 276 . 1 1 27 27 LYS HE3 H 1 2.917 0.02 . 1 . . . . . 172 LYS HE3 . 27977 1 277 . 1 1 27 27 LYS C C 13 178.218 0.3 . 1 . . . . . 172 LYS C . 27977 1 278 . 1 1 27 27 LYS CA C 13 59.437 0.3 . 1 . . . . . 172 LYS CA . 27977 1 279 . 1 1 27 27 LYS CB C 13 31.855 0.3 . 1 . . . . . 172 LYS CB . 27977 1 280 . 1 1 27 27 LYS CG C 13 24.834 0.3 . 1 . . . . . 172 LYS CG . 27977 1 281 . 1 1 27 27 LYS CD C 13 28.787 0.3 . 1 . . . . . 172 LYS CD . 27977 1 282 . 1 1 27 27 LYS CE C 13 41.862 0.3 . 1 . . . . . 172 LYS CE . 27977 1 283 . 1 1 27 27 LYS N N 15 119.351 0.3 . 1 . . . . . 172 LYS N . 27977 1 284 . 1 1 28 28 LEU H H 1 7.421 0.02 . 1 . . . . . 173 LEU H . 27977 1 285 . 1 1 28 28 LEU HA H 1 4.131 0.02 . 1 . . . . . 173 LEU HA . 27977 1 286 . 1 1 28 28 LEU HB2 H 1 1.545 0.02 . 2 . . . . . 173 LEU HB2 . 27977 1 287 . 1 1 28 28 LEU HB3 H 1 1.625 0.02 . 2 . . . . . 173 LEU HB3 . 27977 1 288 . 1 1 28 28 LEU HG H 1 1.441 0.02 . 1 . . . . . 173 LEU HG . 27977 1 289 . 1 1 28 28 LEU HD11 H 1 0.794 0.02 . 1 . . . . . 173 LEU QD1 . 27977 1 290 . 1 1 28 28 LEU HD12 H 1 0.794 0.02 . 1 . . . . . 173 LEU QD1 . 27977 1 291 . 1 1 28 28 LEU HD13 H 1 0.794 0.02 . 1 . . . . . 173 LEU QD1 . 27977 1 292 . 1 1 28 28 LEU HD21 H 1 0.802 0.02 . 1 . . . . . 173 LEU QD2 . 27977 1 293 . 1 1 28 28 LEU HD22 H 1 0.802 0.02 . 1 . . . . . 173 LEU QD2 . 27977 1 294 . 1 1 28 28 LEU HD23 H 1 0.802 0.02 . 1 . . . . . 173 LEU QD2 . 27977 1 295 . 1 1 28 28 LEU C C 13 180.572 0.3 . 1 . . . . . 173 LEU C . 27977 1 296 . 1 1 28 28 LEU CA C 13 57.441 0.3 . 1 . . . . . 173 LEU CA . 27977 1 297 . 1 1 28 28 LEU CB C 13 42.077 0.3 . 1 . . . . . 173 LEU CB . 27977 1 298 . 1 1 28 28 LEU CG C 13 27.115 0.3 . 1 . . . . . 173 LEU CG . 27977 1 299 . 1 1 28 28 LEU CD1 C 13 24.53 0.3 . 1 . . . . . 173 LEU CD1 . 27977 1 300 . 1 1 28 28 LEU CD2 C 13 23.575 0.3 . 1 . . . . . 173 LEU CD2 . 27977 1 301 . 1 1 28 28 LEU N N 15 117.088 0.3 . 1 . . . . . 173 LEU N . 27977 1 302 . 1 1 29 29 GLY H H 1 8.12 0.02 . 1 . . . . . 174 GLY H . 27977 1 303 . 1 1 29 29 GLY HA2 H 1 3.559 0.02 . 2 . . . . . 174 GLY HA2 . 27977 1 304 . 1 1 29 29 GLY HA3 H 1 3.46 0.02 . 2 . . . . . 174 GLY HA3 . 27977 1 305 . 1 1 29 29 GLY C C 13 175.245 0.3 . 1 . . . . . 174 GLY C . 27977 1 306 . 1 1 29 29 GLY CA C 13 47.665 0.3 . 1 . . . . . 174 GLY CA . 27977 1 307 . 1 1 29 29 GLY N N 15 109.997 0.3 . 1 . . . . . 174 GLY N . 27977 1 308 . 1 1 30 30 VAL H H 1 8.936 0.02 . 1 . . . . . 175 VAL H . 27977 1 309 . 1 1 30 30 VAL HA H 1 3.293 0.02 . 1 . . . . . 175 VAL HA . 27977 1 310 . 1 1 30 30 VAL HB H 1 1.946 0.02 . 1 . . . . . 175 VAL HB . 27977 1 311 . 1 1 30 30 VAL HG11 H 1 0.693 0.02 . 1 . . . . . 175 VAL QG1 . 27977 1 312 . 1 1 30 30 VAL HG12 H 1 0.693 0.02 . 1 . . . . . 175 VAL QG1 . 27977 1 313 . 1 1 30 30 VAL HG13 H 1 0.693 0.02 . 1 . . . . . 175 VAL QG1 . 27977 1 314 . 1 1 30 30 VAL HG21 H 1 0.693 0.02 . 1 . . . . . 175 VAL QG2 . 27977 1 315 . 1 1 30 30 VAL HG22 H 1 0.693 0.02 . 1 . . . . . 175 VAL QG2 . 27977 1 316 . 1 1 30 30 VAL HG23 H 1 0.693 0.02 . 1 . . . . . 175 VAL QG2 . 27977 1 317 . 1 1 30 30 VAL C C 13 177.597 0.3 . 1 . . . . . 175 VAL C . 27977 1 318 . 1 1 30 30 VAL CA C 13 67.127 0.3 . 1 . . . . . 175 VAL CA . 27977 1 319 . 1 1 30 30 VAL CB C 13 31.043 0.3 . 1 . . . . . 175 VAL CB . 27977 1 320 . 1 1 30 30 VAL CG1 C 13 21.49 0.3 . 1 . . . . . 175 VAL CG1 . 27977 1 321 . 1 1 30 30 VAL CG2 C 13 21.047 0.3 . 1 . . . . . 175 VAL CG2 . 27977 1 322 . 1 1 30 30 VAL N N 15 122.147 0.3 . 1 . . . . . 175 VAL N . 27977 1 323 . 1 1 31 31 ASP H H 1 8.281 0.02 . 1 . . . . . 176 ASP H . 27977 1 324 . 1 1 31 31 ASP HA H 1 4.248 0.02 . 1 . . . . . 176 ASP HA . 27977 1 325 . 1 1 31 31 ASP HB2 H 1 2.442 0.02 . 2 . . . . . 176 ASP HB2 . 27977 1 326 . 1 1 31 31 ASP HB3 H 1 2.678 0.02 . 2 . . . . . 176 ASP HB3 . 27977 1 327 . 1 1 31 31 ASP CA C 13 57.268 0.3 . 1 . . . . . 176 ASP CA . 27977 1 328 . 1 1 31 31 ASP CB C 13 40.314 0.3 . 1 . . . . . 176 ASP CB . 27977 1 329 . 1 1 31 31 ASP N N 15 119.525 0.3 . 1 . . . . . 176 ASP N . 27977 1 330 . 1 1 32 32 THR H H 1 7.473 0.02 . 1 . . . . . 177 THR H . 27977 1 331 . 1 1 32 32 THR HA H 1 3.678 0.02 . 1 . . . . . 177 THR HA . 27977 1 332 . 1 1 32 32 THR HB H 1 4.172 0.02 . 1 . . . . . 177 THR HB . 27977 1 333 . 1 1 32 32 THR HG21 H 1 0.965 0.02 . 1 . . . . . 177 THR QG2 . 27977 1 334 . 1 1 32 32 THR HG22 H 1 0.965 0.02 . 1 . . . . . 177 THR QG2 . 27977 1 335 . 1 1 32 32 THR HG23 H 1 0.965 0.02 . 1 . . . . . 177 THR QG2 . 27977 1 336 . 1 1 32 32 THR CA C 13 66.943 0.3 . 1 . . . . . 177 THR CA . 27977 1 337 . 1 1 32 32 THR CB C 13 67.956 0.3 . 1 . . . . . 177 THR CB . 27977 1 338 . 1 1 32 32 THR CG2 C 13 22.15 0.3 . 1 . . . . . 177 THR CG2 . 27977 1 339 . 1 1 32 32 THR N N 15 116.471 0.3 . 1 . . . . . 177 THR N . 27977 1 340 . 1 1 33 33 ILE HA H 1 3.541 0.02 . 1 . . . . . 178 ILE HA . 27977 1 341 . 1 1 33 33 ILE HB H 1 1.691 0.02 . 1 . . . . . 178 ILE HB . 27977 1 342 . 1 1 33 33 ILE HG21 H 1 0.55 0.02 . 1 . . . . . 178 ILE QG2 . 27977 1 343 . 1 1 33 33 ILE HG22 H 1 0.55 0.02 . 1 . . . . . 178 ILE QG2 . 27977 1 344 . 1 1 33 33 ILE HG23 H 1 0.55 0.02 . 1 . . . . . 178 ILE QG2 . 27977 1 345 . 1 1 33 33 ILE HD11 H 1 0.383 0.02 . 1 . . . . . 178 ILE QD1 . 27977 1 346 . 1 1 33 33 ILE HD12 H 1 0.383 0.02 . 1 . . . . . 178 ILE QD1 . 27977 1 347 . 1 1 33 33 ILE HD13 H 1 0.383 0.02 . 1 . . . . . 178 ILE QD1 . 27977 1 348 . 1 1 33 33 ILE C C 13 177.597 0.3 . 1 . . . . . 178 ILE C . 27977 1 349 . 1 1 33 33 ILE CA C 13 66.605 0.3 . 1 . . . . . 178 ILE CA . 27977 1 350 . 1 1 33 33 ILE CB C 13 37.66 0.3 . 1 . . . . . 178 ILE CB . 27977 1 351 . 1 1 33 33 ILE CG1 C 13 29.229 0.3 . 1 . . . . . 178 ILE CG1 . 27977 1 352 . 1 1 33 33 ILE CG2 C 13 17.533 0.3 . 1 . . . . . 178 ILE CG2 . 27977 1 353 . 1 1 33 33 ILE CD1 C 13 12.538 0.3 . 1 . . . . . 178 ILE CD1 . 27977 1 354 . 1 1 34 34 ALA H H 1 8.709 0.02 . 1 . . . . . 179 ALA H . 27977 1 355 . 1 1 34 34 ALA HA H 1 3.704 0.02 . 1 . . . . . 179 ALA HA . 27977 1 356 . 1 1 34 34 ALA HB1 H 1 1.408 0.02 . 1 . . . . . 179 ALA HB . 27977 1 357 . 1 1 34 34 ALA HB2 H 1 1.408 0.02 . 1 . . . . . 179 ALA HB . 27977 1 358 . 1 1 34 34 ALA HB3 H 1 1.408 0.02 . 1 . . . . . 179 ALA HB . 27977 1 359 . 1 1 34 34 ALA C C 13 178.522 0.3 . 1 . . . . . 179 ALA C . 27977 1 360 . 1 1 34 34 ALA CA C 13 55.892 0.3 . 1 . . . . . 179 ALA CA . 27977 1 361 . 1 1 34 34 ALA CB C 13 17.803 0.3 . 1 . . . . . 179 ALA CB . 27977 1 362 . 1 1 34 34 ALA N N 15 119.884 0.3 . 1 . . . . . 179 ALA N . 27977 1 363 . 1 1 35 35 LYS H H 1 7.444 0.02 . 1 . . . . . 180 LYS H . 27977 1 364 . 1 1 35 35 LYS HA H 1 4.056 0.02 . 1 . . . . . 180 LYS HA . 27977 1 365 . 1 1 35 35 LYS HB2 H 1 1.785 0.02 . 2 . . . . . 180 LYS HB2 . 27977 1 366 . 1 1 35 35 LYS HB3 H 1 1.869 0.02 . 2 . . . . . 180 LYS HB3 . 27977 1 367 . 1 1 35 35 LYS HG2 H 1 1.38 0.02 . 2 . . . . . 180 LYS HG2 . 27977 1 368 . 1 1 35 35 LYS HG3 H 1 1.456 0.02 . 2 . . . . . 180 LYS HG3 . 27977 1 369 . 1 1 35 35 LYS HD2 H 1 1.581 0.02 . 1 . . . . . 180 LYS HD2 . 27977 1 370 . 1 1 35 35 LYS HD3 H 1 1.581 0.02 . 1 . . . . . 180 LYS HD3 . 27977 1 371 . 1 1 35 35 LYS HE2 H 1 2.876 0.02 . 1 . . . . . 180 LYS HE2 . 27977 1 372 . 1 1 35 35 LYS HE3 H 1 2.876 0.02 . 1 . . . . . 180 LYS HE3 . 27977 1 373 . 1 1 35 35 LYS C C 13 179.526 0.3 . 1 . . . . . 180 LYS C . 27977 1 374 . 1 1 35 35 LYS CA C 13 59.115 0.3 . 1 . . . . . 180 LYS CA . 27977 1 375 . 1 1 35 35 LYS CB C 13 31.473 0.3 . 1 . . . . . 180 LYS CB . 27977 1 376 . 1 1 35 35 LYS CG C 13 24.91 0.3 . 1 . . . . . 180 LYS CG . 27977 1 377 . 1 1 35 35 LYS CD C 13 28.711 0.3 . 1 . . . . . 180 LYS CD . 27977 1 378 . 1 1 35 35 LYS CE C 13 42.014 0.3 . 1 . . . . . 180 LYS CE . 27977 1 379 . 1 1 35 35 LYS N N 15 117.408 0.3 . 1 . . . . . 180 LYS N . 27977 1 380 . 1 1 36 36 TYR H H 1 7.716 0.02 . 1 . . . . . 181 TYR H . 27977 1 381 . 1 1 36 36 TYR HA H 1 4.453 0.02 . 1 . . . . . 181 TYR HA . 27977 1 382 . 1 1 36 36 TYR HB2 H 1 3.121 0.02 . 2 . . . . . 181 TYR HB2 . 27977 1 383 . 1 1 36 36 TYR HB3 H 1 3.429 0.02 . 2 . . . . . 181 TYR HB3 . 27977 1 384 . 1 1 36 36 TYR HD1 H 1 7.344 0.02 . 1 . . . . . 181 TYR HD1 . 27977 1 385 . 1 1 36 36 TYR HD2 H 1 7.344 0.02 . 1 . . . . . 181 TYR HD2 . 27977 1 386 . 1 1 36 36 TYR HE1 H 1 6.762 0.02 . 1 . . . . . 181 TYR HE1 . 27977 1 387 . 1 1 36 36 TYR HE2 H 1 6.762 0.02 . 1 . . . . . 181 TYR HE2 . 27977 1 388 . 1 1 36 36 TYR C C 13 180.453 0.3 . 1 . . . . . 181 TYR C . 27977 1 389 . 1 1 36 36 TYR CA C 13 61.003 0.3 . 1 . . . . . 181 TYR CA . 27977 1 390 . 1 1 36 36 TYR CB C 13 37.583 0.3 . 1 . . . . . 181 TYR CB . 27977 1 391 . 1 1 36 36 TYR CD1 C 13 132.468 0.3 . 1 . . . . . 181 TYR CD1 . 27977 1 392 . 1 1 36 36 TYR CD2 C 13 132.468 0.3 . 1 . . . . . 181 TYR CD2 . 27977 1 393 . 1 1 36 36 TYR CE1 C 13 118.411 0.3 . 1 . . . . . 181 TYR CE1 . 27977 1 394 . 1 1 36 36 TYR CE2 C 13 118.411 0.3 . 1 . . . . . 181 TYR CE2 . 27977 1 395 . 1 1 36 36 TYR N N 15 117.617 0.3 . 1 . . . . . 181 TYR N . 27977 1 396 . 1 1 37 37 LEU H H 1 8.055 0.02 . 1 . . . . . 182 LEU H . 27977 1 397 . 1 1 37 37 LEU HA H 1 4.165 0.02 . 1 . . . . . 182 LEU HA . 27977 1 398 . 1 1 37 37 LEU HB2 H 1 1.927 0.02 . 1 . . . . . 182 LEU HB2 . 27977 1 399 . 1 1 37 37 LEU HB3 H 1 1.927 0.02 . 1 . . . . . 182 LEU HB3 . 27977 1 400 . 1 1 37 37 LEU HD11 H 1 0.866 0.02 . 1 . . . . . 182 LEU QD1 . 27977 1 401 . 1 1 37 37 LEU HD12 H 1 0.866 0.02 . 1 . . . . . 182 LEU QD1 . 27977 1 402 . 1 1 37 37 LEU HD13 H 1 0.866 0.02 . 1 . . . . . 182 LEU QD1 . 27977 1 403 . 1 1 37 37 LEU HD21 H 1 0.947 0.02 . 1 . . . . . 182 LEU QD2 . 27977 1 404 . 1 1 37 37 LEU HD22 H 1 0.947 0.02 . 1 . . . . . 182 LEU QD2 . 27977 1 405 . 1 1 37 37 LEU HD23 H 1 0.947 0.02 . 1 . . . . . 182 LEU QD2 . 27977 1 406 . 1 1 37 37 LEU C C 13 179.668 0.3 . 1 . . . . . 182 LEU C . 27977 1 407 . 1 1 37 37 LEU CA C 13 58.01 0.3 . 1 . . . . . 182 LEU CA . 27977 1 408 . 1 1 37 37 LEU CB C 13 39.875 0.3 . 1 . . . . . 182 LEU CB . 27977 1 409 . 1 1 37 37 LEU CG C 13 26.878 0.3 . 1 . . . . . 182 LEU CG . 27977 1 410 . 1 1 37 37 LEU CD1 C 13 24.242 0.3 . 1 . . . . . 182 LEU CD1 . 27977 1 411 . 1 1 37 37 LEU CD2 C 13 22.062 0.3 . 1 . . . . . 182 LEU CD2 . 27977 1 412 . 1 1 37 37 LEU N N 15 117.501 0.3 . 1 . . . . . 182 LEU N . 27977 1 413 . 1 1 38 38 ASP H H 1 9.122 0.02 . 1 . . . . . 183 ASP H . 27977 1 414 . 1 1 38 38 ASP HA H 1 4.37 0.02 . 1 . . . . . 183 ASP HA . 27977 1 415 . 1 1 38 38 ASP HB2 H 1 2.468 0.02 . 2 . . . . . 183 ASP HB2 . 27977 1 416 . 1 1 38 38 ASP HB3 H 1 2.756 0.02 . 2 . . . . . 183 ASP HB3 . 27977 1 417 . 1 1 38 38 ASP C C 13 178.384 0.3 . 1 . . . . . 183 ASP C . 27977 1 418 . 1 1 38 38 ASP CA C 13 57.252 0.3 . 1 . . . . . 183 ASP CA . 27977 1 419 . 1 1 38 38 ASP CB C 13 40.562 0.3 . 1 . . . . . 183 ASP CB . 27977 1 420 . 1 1 38 38 ASP N N 15 122.536 0.3 . 1 . . . . . 183 ASP N . 27977 1 421 . 1 1 39 39 ASN H H 1 7.892 0.02 . 1 . . . . . 184 ASN H . 27977 1 422 . 1 1 39 39 ASN HA H 1 4.235 0.02 . 1 . . . . . 184 ASN HA . 27977 1 423 . 1 1 39 39 ASN HB2 H 1 2.77 0.02 . 1 . . . . . 184 ASN HB2 . 27977 1 424 . 1 1 39 39 ASN HB3 H 1 2.77 0.02 . 1 . . . . . 184 ASN HB3 . 27977 1 425 . 1 1 39 39 ASN HD21 H 1 6.799 0.02 . 1 . . . . . 184 ASN HD21 . 27977 1 426 . 1 1 39 39 ASN HD22 H 1 7.544 0.02 . 1 . . . . . 184 ASN HD22 . 27977 1 427 . 1 1 39 39 ASN C C 13 177.314 0.3 . 1 . . . . . 184 ASN C . 27977 1 428 . 1 1 39 39 ASN CA C 13 55.608 0.3 . 1 . . . . . 184 ASN CA . 27977 1 429 . 1 1 39 39 ASN CB C 13 37.049 0.3 . 1 . . . . . 184 ASN CB . 27977 1 430 . 1 1 39 39 ASN N N 15 116.212 0.3 . 1 . . . . . 184 ASN N . 27977 1 431 . 1 1 39 39 ASN ND2 N 15 111.266 0.3 . 1 . . . . . 184 ASN ND2 . 27977 1 432 . 1 1 40 40 ILE H H 1 7.074 0.02 . 1 . . . . . 185 ILE H . 27977 1 433 . 1 1 40 40 ILE HA H 1 3.691 0.02 . 1 . . . . . 185 ILE HA . 27977 1 434 . 1 1 40 40 ILE HB H 1 1.832 0.02 . 1 . . . . . 185 ILE HB . 27977 1 435 . 1 1 40 40 ILE HG12 H 1 0.823 0.02 . 1 . . . . . 185 ILE HG12 . 27977 1 436 . 1 1 40 40 ILE HG13 H 1 0.823 0.02 . 1 . . . . . 185 ILE HG13 . 27977 1 437 . 1 1 40 40 ILE HG21 H 1 0.789 0.02 . 1 . . . . . 185 ILE QG2 . 27977 1 438 . 1 1 40 40 ILE HG22 H 1 0.789 0.02 . 1 . . . . . 185 ILE QG2 . 27977 1 439 . 1 1 40 40 ILE HG23 H 1 0.789 0.02 . 1 . . . . . 185 ILE QG2 . 27977 1 440 . 1 1 40 40 ILE HD11 H 1 1.128 0.02 . 1 . . . . . 185 ILE QD1 . 27977 1 441 . 1 1 40 40 ILE HD12 H 1 1.128 0.02 . 1 . . . . . 185 ILE QD1 . 27977 1 442 . 1 1 40 40 ILE HD13 H 1 1.128 0.02 . 1 . . . . . 185 ILE QD1 . 27977 1 443 . 1 1 40 40 ILE C C 13 177.178 0.3 . 1 . . . . . 185 ILE C . 27977 1 444 . 1 1 40 40 ILE CA C 13 64.696 0.3 . 1 . . . . . 185 ILE CA . 27977 1 445 . 1 1 40 40 ILE CB C 13 38.729 0.3 . 1 . . . . . 185 ILE CB . 27977 1 446 . 1 1 40 40 ILE CG1 C 13 30.309 0.3 . 1 . . . . . 185 ILE CG1 . 27977 1 447 . 1 1 40 40 ILE CG2 C 13 16.958 0.3 . 1 . . . . . 185 ILE CG2 . 27977 1 448 . 1 1 40 40 ILE CD1 C 13 14.952 0.3 . 1 . . . . . 185 ILE CD1 . 27977 1 449 . 1 1 40 40 ILE N N 15 118.358 0.3 . 1 . . . . . 185 ILE N . 27977 1 450 . 1 1 41 41 HIS H H 1 7.607 0.02 . 1 . . . . . 186 HIS H . 27977 1 451 . 1 1 41 41 HIS HA H 1 4.189 0.02 . 1 . . . . . 186 HIS HA . 27977 1 452 . 1 1 41 41 HIS HB2 H 1 3.229 0.02 . 1 . . . . . 186 HIS HB2 . 27977 1 453 . 1 1 41 41 HIS HB3 H 1 3.229 0.02 . 1 . . . . . 186 HIS HB3 . 27977 1 454 . 1 1 41 41 HIS HD2 H 1 6.958 0.02 . 1 . . . . . 186 HIS HD2 . 27977 1 455 . 1 1 41 41 HIS HE1 H 1 7.997 0.02 . 1 . . . . . 186 HIS HE1 . 27977 1 456 . 1 1 41 41 HIS C C 13 177.098 0.3 . 1 . . . . . 186 HIS C . 27977 1 457 . 1 1 41 41 HIS CA C 13 58.485 0.3 . 1 . . . . . 186 HIS CA . 27977 1 458 . 1 1 41 41 HIS CB C 13 29.598 0.3 . 1 . . . . . 186 HIS CB . 27977 1 459 . 1 1 41 41 HIS CD2 C 13 120.387 0.3 . 1 . . . . . 186 HIS CD2 . 27977 1 460 . 1 1 41 41 HIS CE1 C 13 137.48 0.3 . 1 . . . . . 186 HIS CE1 . 27977 1 461 . 1 1 41 41 HIS N N 15 116.647 0.3 . 1 . . . . . 186 HIS N . 27977 1 462 . 1 1 41 41 HIS ND1 N 15 199.86 0.3 . 1 . . . . . 186 HIS ND1 . 27977 1 463 . 1 1 41 41 HIS NE2 N 15 182.67 0.3 . 1 . . . . . 186 HIS NE2 . 27977 1 464 . 1 1 42 42 LEU H H 1 8.192 0.02 . 1 . . . . . 187 LEU H . 27977 1 465 . 1 1 42 42 LEU HA H 1 3.748 0.02 . 1 . . . . . 187 LEU HA . 27977 1 466 . 1 1 42 42 LEU HB2 H 1 1.326 0.02 . 1 . . . . . 187 LEU HB2 . 27977 1 467 . 1 1 42 42 LEU HB3 H 1 1.326 0.02 . 1 . . . . . 187 LEU HB3 . 27977 1 468 . 1 1 42 42 LEU HG H 1 1.451 0.02 . 1 . . . . . 187 LEU HG . 27977 1 469 . 1 1 42 42 LEU HD11 H 1 0.653 0.02 . 1 . . . . . 187 LEU QD1 . 27977 1 470 . 1 1 42 42 LEU HD12 H 1 0.653 0.02 . 1 . . . . . 187 LEU QD1 . 27977 1 471 . 1 1 42 42 LEU HD13 H 1 0.653 0.02 . 1 . . . . . 187 LEU QD1 . 27977 1 472 . 1 1 42 42 LEU HD21 H 1 0.69 0.02 . 1 . . . . . 187 LEU QD2 . 27977 1 473 . 1 1 42 42 LEU HD22 H 1 0.69 0.02 . 1 . . . . . 187 LEU QD2 . 27977 1 474 . 1 1 42 42 LEU HD23 H 1 0.69 0.02 . 1 . . . . . 187 LEU QD2 . 27977 1 475 . 1 1 42 42 LEU C C 13 177.217 0.3 . 1 . . . . . 187 LEU C . 27977 1 476 . 1 1 42 42 LEU CA C 13 55.76 0.3 . 1 . . . . . 187 LEU CA . 27977 1 477 . 1 1 42 42 LEU CB C 13 42.647 0.3 . 1 . . . . . 187 LEU CB . 27977 1 478 . 1 1 42 42 LEU CG C 13 26.713 0.3 . 1 . . . . . 187 LEU CG . 27977 1 479 . 1 1 42 42 LEU CD1 C 13 22.402 0.3 . 1 . . . . . 187 LEU CD1 . 27977 1 480 . 1 1 42 42 LEU CD2 C 13 24.91 0.3 . 1 . . . . . 187 LEU CD2 . 27977 1 481 . 1 1 42 42 LEU N N 15 115.85 0.3 . 1 . . . . . 187 LEU N . 27977 1 482 . 1 1 43 43 HIS H H 1 7.231 0.02 . 1 . . . . . 188 HIS H . 27977 1 483 . 1 1 43 43 HIS HA H 1 5.213 0.02 . 1 . . . . . 188 HIS HA . 27977 1 484 . 1 1 43 43 HIS HB2 H 1 3.107 0.02 . 2 . . . . . 188 HIS HB2 . 27977 1 485 . 1 1 43 43 HIS HB3 H 1 3.347 0.02 . 2 . . . . . 188 HIS HB3 . 27977 1 486 . 1 1 43 43 HIS HD2 H 1 6.939 0.02 . 1 . . . . . 188 HIS HD2 . 27977 1 487 . 1 1 43 43 HIS HE1 H 1 8.365 0.02 . 1 . . . . . 188 HIS HE1 . 27977 1 488 . 1 1 43 43 HIS C C 13 173.176 0.3 . 1 . . . . . 188 HIS C . 27977 1 489 . 1 1 43 43 HIS CA C 13 52.324 0.3 . 1 . . . . . 188 HIS CA . 27977 1 490 . 1 1 43 43 HIS CB C 13 28.877 0.3 . 1 . . . . . 188 HIS CB . 27977 1 491 . 1 1 43 43 HIS CD2 C 13 121.334 0.3 . 1 . . . . . 188 HIS CD2 . 27977 1 492 . 1 1 43 43 HIS CE1 C 13 135.922 0.3 . 1 . . . . . 188 HIS CE1 . 27977 1 493 . 1 1 43 43 HIS N N 15 114.581 0.3 . 1 . . . . . 188 HIS N . 27977 1 494 . 1 1 43 43 HIS NE2 N 15 178.6 0.3 . 1 . . . . . 188 HIS NE2 . 27977 1 495 . 1 1 44 44 PRO HA H 1 4.437 0.02 . 1 . . . . . 189 PRO HA . 27977 1 496 . 1 1 44 44 PRO HB2 H 1 1.929 0.02 . 2 . . . . . 189 PRO HB2 . 27977 1 497 . 1 1 44 44 PRO HB3 H 1 2.262 0.02 . 2 . . . . . 189 PRO HB3 . 27977 1 498 . 1 1 44 44 PRO HG2 H 1 1.863 0.02 . 2 . . . . . 189 PRO HG2 . 27977 1 499 . 1 1 44 44 PRO HG3 H 1 1.948 0.02 . 2 . . . . . 189 PRO HG3 . 27977 1 500 . 1 1 44 44 PRO HD2 H 1 3.304 0.02 . 2 . . . . . 189 PRO HD2 . 27977 1 501 . 1 1 44 44 PRO HD3 H 1 3.494 0.02 . 2 . . . . . 189 PRO HD3 . 27977 1 502 . 1 1 44 44 PRO C C 13 177.81 0.3 . 1 . . . . . 189 PRO C . 27977 1 503 . 1 1 44 44 PRO CA C 13 65.115 0.3 . 1 . . . . . 189 PRO CA . 27977 1 504 . 1 1 44 44 PRO CB C 13 31.74 0.3 . 1 . . . . . 189 PRO CB . 27977 1 505 . 1 1 44 44 PRO CG C 13 27.078 0.3 . 1 . . . . . 189 PRO CG . 27977 1 506 . 1 1 44 44 PRO CD C 13 50.113 0.3 . 1 . . . . . 189 PRO CD . 27977 1 507 . 1 1 45 45 GLU H H 1 9.289 0.02 . 1 . . . . . 190 GLU H . 27977 1 508 . 1 1 45 45 GLU HA H 1 4.306 0.02 . 1 . . . . . 190 GLU HA . 27977 1 509 . 1 1 45 45 GLU HB2 H 1 1.943 0.02 . 2 . . . . . 190 GLU HB2 . 27977 1 510 . 1 1 45 45 GLU HB3 H 1 2.135 0.02 . 2 . . . . . 190 GLU HB3 . 27977 1 511 . 1 1 45 45 GLU HG2 H 1 2.311 0.02 . 1 . . . . . 190 GLU HG2 . 27977 1 512 . 1 1 45 45 GLU HG3 H 1 2.311 0.02 . 1 . . . . . 190 GLU HG3 . 27977 1 513 . 1 1 45 45 GLU C C 13 176.315 0.3 . 1 . . . . . 190 GLU C . 27977 1 514 . 1 1 45 45 GLU CA C 13 56.346 0.3 . 1 . . . . . 190 GLU CA . 27977 1 515 . 1 1 45 45 GLU CB C 13 28.8 0.3 . 1 . . . . . 190 GLU CB . 27977 1 516 . 1 1 45 45 GLU CG C 13 35.925 0.3 . 1 . . . . . 190 GLU CG . 27977 1 517 . 1 1 45 45 GLU N N 15 117.623 0.3 . 1 . . . . . 190 GLU N . 27977 1 518 . 1 1 46 46 GLU H H 1 7.483 0.02 . 1 . . . . . 191 GLU H . 27977 1 519 . 1 1 46 46 GLU HA H 1 4.465 0.02 . 1 . . . . . 191 GLU HA . 27977 1 520 . 1 1 46 46 GLU HB2 H 1 2.094 0.02 . 1 . . . . . 191 GLU HB2 . 27977 1 521 . 1 1 46 46 GLU HB3 H 1 2.094 0.02 . 1 . . . . . 191 GLU HB3 . 27977 1 522 . 1 1 46 46 GLU HG2 H 1 1.934 0.02 . 1 . . . . . 191 GLU HG2 . 27977 1 523 . 1 1 46 46 GLU HG3 H 1 1.934 0.02 . 1 . . . . . 191 GLU HG3 . 27977 1 524 . 1 1 46 46 GLU C C 13 176.149 0.3 . 1 . . . . . 191 GLU C . 27977 1 525 . 1 1 46 46 GLU CA C 13 55.302 0.3 . 1 . . . . . 191 GLU CA . 27977 1 526 . 1 1 46 46 GLU CB C 13 30.328 0.3 . 1 . . . . . 191 GLU CB . 27977 1 527 . 1 1 46 46 GLU CG C 13 36.541 0.3 . 1 . . . . . 191 GLU CG . 27977 1 528 . 1 1 46 46 GLU N N 15 120.806 0.3 . 1 . . . . . 191 GLU N . 27977 1 529 . 1 1 47 47 GLU H H 1 8.851 0.02 . 1 . . . . . 192 GLU H . 27977 1 530 . 1 1 47 47 GLU HA H 1 3.692 0.02 . 1 . . . . . 192 GLU HA . 27977 1 531 . 1 1 47 47 GLU HB2 H 1 1.924 0.02 . 2 . . . . . 192 GLU HB2 . 27977 1 532 . 1 1 47 47 GLU HB3 H 1 1.97 0.02 . 2 . . . . . 192 GLU HB3 . 27977 1 533 . 1 1 47 47 GLU HG2 H 1 2.147 0.02 . 1 . . . . . 192 GLU HG2 . 27977 1 534 . 1 1 47 47 GLU HG3 H 1 2.147 0.02 . 1 . . . . . 192 GLU HG3 . 27977 1 535 . 1 1 47 47 GLU C C 13 178.67 0.3 . 1 . . . . . 192 GLU C . 27977 1 536 . 1 1 47 47 GLU CA C 13 59.313 0.3 . 1 . . . . . 192 GLU CA . 27977 1 537 . 1 1 47 47 GLU CB C 13 29.275 0.3 . 1 . . . . . 192 GLU CB . 27977 1 538 . 1 1 47 47 GLU CG C 13 36.009 0.3 . 1 . . . . . 192 GLU CG . 27977 1 539 . 1 1 47 47 GLU N N 15 129.327 0.3 . 1 . . . . . 192 GLU N . 27977 1 540 . 1 1 48 48 LYS H H 1 8.883 0.02 . 1 . . . . . 193 LYS H . 27977 1 541 . 1 1 48 48 LYS HA H 1 3.949 0.02 . 1 . . . . . 193 LYS HA . 27977 1 542 . 1 1 48 48 LYS HB2 H 1 1.488 0.02 . 2 . . . . . 193 LYS HB2 . 27977 1 543 . 1 1 48 48 LYS HB3 H 1 1.64 0.02 . 2 . . . . . 193 LYS HB3 . 27977 1 544 . 1 1 48 48 LYS HG3 H 1 0.789 0.02 . 2 . . . . . 193 LYS HG3 . 27977 1 545 . 1 1 48 48 LYS HD2 H 1 1.294 0.02 . 1 . . . . . 193 LYS HD2 . 27977 1 546 . 1 1 48 48 LYS HD3 H 1 1.294 0.02 . 1 . . . . . 193 LYS HD3 . 27977 1 547 . 1 1 48 48 LYS HE2 H 1 2.502 0.02 . 1 . . . . . 193 LYS HE2 . 27977 1 548 . 1 1 48 48 LYS HE3 H 1 2.502 0.02 . 1 . . . . . 193 LYS HE3 . 27977 1 549 . 1 1 48 48 LYS C C 13 177.739 0.3 . 1 . . . . . 193 LYS C . 27977 1 550 . 1 1 48 48 LYS CA C 13 59.044 0.3 . 1 . . . . . 193 LYS CA . 27977 1 551 . 1 1 48 48 LYS CB C 13 31.12 0.3 . 1 . . . . . 193 LYS CB . 27977 1 552 . 1 1 48 48 LYS CG C 13 23.671 0.3 . 1 . . . . . 193 LYS CG . 27977 1 553 . 1 1 48 48 LYS CD C 13 29.598 0.3 . 1 . . . . . 193 LYS CD . 27977 1 554 . 1 1 48 48 LYS CE C 13 41.591 0.3 . 1 . . . . . 193 LYS CE . 27977 1 555 . 1 1 48 48 LYS N N 15 117.524 0.3 . 1 . . . . . 193 LYS N . 27977 1 556 . 1 1 49 49 TYR H H 1 6.669 0.02 . 1 . . . . . 194 TYR H . 27977 1 557 . 1 1 49 49 TYR HA H 1 4.65 0.02 . 1 . . . . . 194 TYR HA . 27977 1 558 . 1 1 49 49 TYR HB2 H 1 2.985 0.02 . 2 . . . . . 194 TYR HB2 . 27977 1 559 . 1 1 49 49 TYR HB3 H 1 3.358 0.02 . 2 . . . . . 194 TYR HB3 . 27977 1 560 . 1 1 49 49 TYR HD1 H 1 7.277 0.02 . 1 . . . . . 194 TYR HD1 . 27977 1 561 . 1 1 49 49 TYR HD2 H 1 7.277 0.02 . 1 . . . . . 194 TYR HD2 . 27977 1 562 . 1 1 49 49 TYR HE1 H 1 6.568 0.02 . 1 . . . . . 194 TYR HE1 . 27977 1 563 . 1 1 49 49 TYR HE2 H 1 6.568 0.02 . 1 . . . . . 194 TYR HE2 . 27977 1 564 . 1 1 49 49 TYR C C 13 175.483 0.3 . 1 . . . . . 194 TYR C . 27977 1 565 . 1 1 49 49 TYR CA C 13 58.378 0.3 . 1 . . . . . 194 TYR CA . 27977 1 566 . 1 1 49 49 TYR CB C 13 37.426 0.3 . 1 . . . . . 194 TYR CB . 27977 1 567 . 1 1 49 49 TYR CD1 C 13 132.798 0.3 . 1 . . . . . 194 TYR CD1 . 27977 1 568 . 1 1 49 49 TYR CD2 C 13 132.798 0.3 . 1 . . . . . 194 TYR CD2 . 27977 1 569 . 1 1 49 49 TYR CE1 C 13 117.961 0.3 . 1 . . . . . 194 TYR CE1 . 27977 1 570 . 1 1 49 49 TYR CE2 C 13 117.961 0.3 . 1 . . . . . 194 TYR CE2 . 27977 1 571 . 1 1 49 49 TYR N N 15 114.868 0.3 . 1 . . . . . 194 TYR N . 27977 1 572 . 1 1 50 50 ARG H H 1 7.63 0.02 . 1 . . . . . 195 ARG H . 27977 1 573 . 1 1 50 50 ARG HA H 1 4.266 0.02 . 1 . . . . . 195 ARG HA . 27977 1 574 . 1 1 50 50 ARG HB2 H 1 1.887 0.02 . 2 . . . . . 195 ARG HB2 . 27977 1 575 . 1 1 50 50 ARG HB3 H 1 2.157 0.02 . 2 . . . . . 195 ARG HB3 . 27977 1 576 . 1 1 50 50 ARG HG2 H 1 1.485 0.02 . 2 . . . . . 195 ARG HG2 . 27977 1 577 . 1 1 50 50 ARG HG3 H 1 1.786 0.02 . 2 . . . . . 195 ARG HG3 . 27977 1 578 . 1 1 50 50 ARG HD2 H 1 3.149 0.02 . 2 . . . . . 195 ARG HD2 . 27977 1 579 . 1 1 50 50 ARG HD3 H 1 3.103 0.02 . 2 . . . . . 195 ARG HD3 . 27977 1 580 . 1 1 50 50 ARG C C 13 173.271 0.3 . 1 . . . . . 195 ARG C . 27977 1 581 . 1 1 50 50 ARG CA C 13 56.306 0.3 . 1 . . . . . 195 ARG CA . 27977 1 582 . 1 1 50 50 ARG CB C 13 30.862 0.3 . 1 . . . . . 195 ARG CB . 27977 1 583 . 1 1 50 50 ARG CG C 13 28.711 0.3 . 1 . . . . . 195 ARG CG . 27977 1 584 . 1 1 50 50 ARG CD C 13 43.994 0.3 . 1 . . . . . 195 ARG CD . 27977 1 585 . 1 1 50 50 ARG N N 15 113.951 0.3 . 1 . . . . . 195 ARG N . 27977 1 586 . 1 1 51 51 LYS H H 1 7.03 0.02 . 1 . . . . . 196 LYS H . 27977 1 587 . 1 1 51 51 LYS HA H 1 5.23 0.02 . 1 . . . . . 196 LYS HA . 27977 1 588 . 1 1 51 51 LYS HB2 H 1 1.602 0.02 . 2 . . . . . 196 LYS HB2 . 27977 1 589 . 1 1 51 51 LYS HB3 H 1 1.483 0.02 . 2 . . . . . 196 LYS HB3 . 27977 1 590 . 1 1 51 51 LYS HG2 H 1 1.091 0.02 . 2 . . . . . 196 LYS HG2 . 27977 1 591 . 1 1 51 51 LYS HG3 H 1 1.169 0.02 . 2 . . . . . 196 LYS HG3 . 27977 1 592 . 1 1 51 51 LYS HD2 H 1 1.097 0.02 . 1 . . . . . 196 LYS HD2 . 27977 1 593 . 1 1 51 51 LYS HD3 H 1 1.097 0.02 . 1 . . . . . 196 LYS HD3 . 27977 1 594 . 1 1 51 51 LYS HE2 H 1 2.267 0.02 . 1 . . . . . 196 LYS HE2 . 27977 1 595 . 1 1 51 51 LYS HE3 H 1 2.267 0.02 . 1 . . . . . 196 LYS HE3 . 27977 1 596 . 1 1 51 51 LYS C C 13 174.722 0.3 . 1 . . . . . 196 LYS C . 27977 1 597 . 1 1 51 51 LYS CA C 13 54.51 0.3 . 1 . . . . . 196 LYS CA . 27977 1 598 . 1 1 51 51 LYS CB C 13 34.452 0.3 . 1 . . . . . 196 LYS CB . 27977 1 599 . 1 1 51 51 LYS CG C 13 24.454 0.3 . 1 . . . . . 196 LYS CG . 27977 1 600 . 1 1 51 51 LYS CD C 13 29.29 0.3 . 1 . . . . . 196 LYS CD . 27977 1 601 . 1 1 51 51 LYS CE C 13 41.34 0.3 . 1 . . . . . 196 LYS CE . 27977 1 602 . 1 1 51 51 LYS N N 15 117.413 0.3 . 1 . . . . . 196 LYS N . 27977 1 603 . 1 1 52 52 ILE H H 1 9.338 0.02 . 1 . . . . . 197 ILE H . 27977 1 604 . 1 1 52 52 ILE HA H 1 3.988 0.02 . 1 . . . . . 197 ILE HA . 27977 1 605 . 1 1 52 52 ILE HB H 1 1.327 0.02 . 1 . . . . . 197 ILE HB . 27977 1 606 . 1 1 52 52 ILE HG12 H 1 0.674 0.02 . 2 . . . . . 197 ILE HG12 . 27977 1 607 . 1 1 52 52 ILE HG13 H 1 1.215 0.02 . 2 . . . . . 197 ILE HG13 . 27977 1 608 . 1 1 52 52 ILE HG21 H 1 0.122 0.02 . 1 . . . . . 197 ILE QG2 . 27977 1 609 . 1 1 52 52 ILE HG22 H 1 0.122 0.02 . 1 . . . . . 197 ILE QG2 . 27977 1 610 . 1 1 52 52 ILE HG23 H 1 0.122 0.02 . 1 . . . . . 197 ILE QG2 . 27977 1 611 . 1 1 52 52 ILE HD11 H 1 0.151 0.02 . 1 . . . . . 197 ILE QD1 . 27977 1 612 . 1 1 52 52 ILE HD12 H 1 0.151 0.02 . 1 . . . . . 197 ILE QD1 . 27977 1 613 . 1 1 52 52 ILE HD13 H 1 0.151 0.02 . 1 . . . . . 197 ILE QD1 . 27977 1 614 . 1 1 52 52 ILE C C 13 174.658 0.3 . 1 . . . . . 197 ILE C . 27977 1 615 . 1 1 52 52 ILE CA C 13 60.312 0.3 . 1 . . . . . 197 ILE CA . 27977 1 616 . 1 1 52 52 ILE CB C 13 40.715 0.3 . 1 . . . . . 197 ILE CB . 27977 1 617 . 1 1 52 52 ILE CG1 C 13 26.789 0.3 . 1 . . . . . 197 ILE CG1 . 27977 1 618 . 1 1 52 52 ILE CG2 C 13 16.381 0.3 . 1 . . . . . 197 ILE CG2 . 27977 1 619 . 1 1 52 52 ILE CD1 C 13 13.66 0.3 . 1 . . . . . 197 ILE CD1 . 27977 1 620 . 1 1 52 52 ILE N N 15 124.946 0.3 . 1 . . . . . 197 ILE N . 27977 1 621 . 1 1 53 53 LYS H H 1 8.452 0.02 . 1 . . . . . 198 LYS H . 27977 1 622 . 1 1 53 53 LYS HA H 1 3.268 0.02 . 1 . . . . . 198 LYS HA . 27977 1 623 . 1 1 53 53 LYS HB2 H 1 1.38 0.02 . 2 . . . . . 198 LYS HB2 . 27977 1 624 . 1 1 53 53 LYS HB3 H 1 1.516 0.02 . 2 . . . . . 198 LYS HB3 . 27977 1 625 . 1 1 53 53 LYS HG2 H 1 0.58 0.02 . 2 . . . . . 198 LYS HG2 . 27977 1 626 . 1 1 53 53 LYS HG3 H 1 0.69 0.02 . 2 . . . . . 198 LYS HG3 . 27977 1 627 . 1 1 53 53 LYS HD2 H 1 1.462 0.02 . 1 . . . . . 198 LYS HD2 . 27977 1 628 . 1 1 53 53 LYS HD3 H 1 1.462 0.02 . 1 . . . . . 198 LYS HD3 . 27977 1 629 . 1 1 53 53 LYS HE2 H 1 2.698 0.02 . 1 . . . . . 198 LYS HE2 . 27977 1 630 . 1 1 53 53 LYS HE3 H 1 2.698 0.02 . 1 . . . . . 198 LYS HE3 . 27977 1 631 . 1 1 53 53 LYS C C 13 176.434 0.3 . 1 . . . . . 198 LYS C . 27977 1 632 . 1 1 53 53 LYS CA C 13 56.628 0.3 . 1 . . . . . 198 LYS CA . 27977 1 633 . 1 1 53 53 LYS CB C 13 33.235 0.3 . 1 . . . . . 198 LYS CB . 27977 1 634 . 1 1 53 53 LYS CG C 13 25.729 0.3 . 1 . . . . . 198 LYS CG . 27977 1 635 . 1 1 53 53 LYS CD C 13 29.241 0.3 . 1 . . . . . 198 LYS CD . 27977 1 636 . 1 1 53 53 LYS CE C 13 41.83 0.3 . 1 . . . . . 198 LYS CE . 27977 1 637 . 1 1 53 53 LYS N N 15 129.908 0.3 . 1 . . . . . 198 LYS N . 27977 1 638 . 1 1 54 54 LEU H H 1 7.141 0.02 . 1 . . . . . 199 LEU H . 27977 1 639 . 1 1 54 54 LEU HA H 1 2.998 0.02 . 1 . . . . . 199 LEU HA . 27977 1 640 . 1 1 54 54 LEU HB2 H 1 1.016 0.02 . 2 . . . . . 199 LEU HB2 . 27977 1 641 . 1 1 54 54 LEU HB3 H 1 1.092 0.02 . 2 . . . . . 199 LEU HB3 . 27977 1 642 . 1 1 54 54 LEU HG H 1 0.736 0.02 . 1 . . . . . 199 LEU HG . 27977 1 643 . 1 1 54 54 LEU HD11 H 1 0.003 0.02 . 1 . . . . . 199 LEU QD1 . 27977 1 644 . 1 1 54 54 LEU HD12 H 1 0.003 0.02 . 1 . . . . . 199 LEU QD1 . 27977 1 645 . 1 1 54 54 LEU HD13 H 1 0.003 0.02 . 1 . . . . . 199 LEU QD1 . 27977 1 646 . 1 1 54 54 LEU C C 13 178.722 0.3 . 1 . . . . . 199 LEU C . 27977 1 647 . 1 1 54 54 LEU CA C 13 58.194 0.3 . 1 . . . . . 199 LEU CA . 27977 1 648 . 1 1 54 54 LEU CB C 13 40.143 0.3 . 1 . . . . . 199 LEU CB . 27977 1 649 . 1 1 54 54 LEU CG C 13 29.09 0.3 . 1 . . . . . 199 LEU CG . 27977 1 650 . 1 1 54 54 LEU CD1 C 13 24.25 0.3 . 1 . . . . . 199 LEU CD1 . 27977 1 651 . 1 1 54 54 LEU CD2 C 13 24.57 0.3 . 1 . . . . . 199 LEU CD2 . 27977 1 652 . 1 1 54 54 LEU N N 15 127.631 0.3 . 1 . . . . . 199 LEU N . 27977 1 653 . 1 1 55 55 GLN H H 1 8.307 0.02 . 1 . . . . . 200 GLN H . 27977 1 654 . 1 1 55 55 GLN HA H 1 4.111 0.02 . 1 . . . . . 200 GLN HA . 27977 1 655 . 1 1 55 55 GLN HB2 H 1 1.62 0.02 . 1 . . . . . 200 GLN HB2 . 27977 1 656 . 1 1 55 55 GLN HB3 H 1 1.62 0.02 . 1 . . . . . 200 GLN HB3 . 27977 1 657 . 1 1 55 55 GLN HG2 H 1 2.194 0.02 . 1 . . . . . 200 GLN HG2 . 27977 1 658 . 1 1 55 55 GLN HG3 H 1 2.194 0.02 . 1 . . . . . 200 GLN HG3 . 27977 1 659 . 1 1 55 55 GLN C C 13 175.69 0.3 . 1 . . . . . 200 GLN C . 27977 1 660 . 1 1 55 55 GLN CA C 13 54.971 0.3 . 1 . . . . . 200 GLN CA . 27977 1 661 . 1 1 55 55 GLN CB C 13 26.815 0.3 . 1 . . . . . 200 GLN CB . 27977 1 662 . 1 1 55 55 GLN CG C 13 33.824 0.3 . 1 . . . . . 200 GLN CG . 27977 1 663 . 1 1 55 55 GLN N N 15 115.089 0.3 . 1 . . . . . 200 GLN N . 27977 1 664 . 1 1 56 56 ASN H H 1 7.238 0.02 . 1 . . . . . 201 ASN H . 27977 1 665 . 1 1 56 56 ASN HA H 1 4.492 0.02 . 1 . . . . . 201 ASN HA . 27977 1 666 . 1 1 56 56 ASN HB2 H 1 2.633 0.02 . 2 . . . . . 201 ASN HB2 . 27977 1 667 . 1 1 56 56 ASN HB3 H 1 2.819 0.02 . 2 . . . . . 201 ASN HB3 . 27977 1 668 . 1 1 56 56 ASN HD21 H 1 6.844 0.02 . 1 . . . . . 201 ASN HD21 . 27977 1 669 . 1 1 56 56 ASN HD22 H 1 7.672 0.02 . 1 . . . . . 201 ASN HD22 . 27977 1 670 . 1 1 56 56 ASN C C 13 175.424 0.3 . 1 . . . . . 201 ASN C . 27977 1 671 . 1 1 56 56 ASN CA C 13 53.359 0.3 . 1 . . . . . 201 ASN CA . 27977 1 672 . 1 1 56 56 ASN CB C 13 40.985 0.3 . 1 . . . . . 201 ASN CB . 27977 1 673 . 1 1 56 56 ASN N N 15 120.779 0.3 . 1 . . . . . 201 ASN N . 27977 1 674 . 1 1 56 56 ASN ND2 N 15 113.882 0.3 . 1 . . . . . 201 ASN ND2 . 27977 1 675 . 1 1 57 57 LYS HA H 1 3.904 0.02 . 1 . . . . . 202 LYS HA . 27977 1 676 . 1 1 57 57 LYS HB2 H 1 1.83 0.02 . 2 . . . . . 202 LYS HB2 . 27977 1 677 . 1 1 57 57 LYS HB3 H 1 1.738 0.02 . 2 . . . . . 202 LYS HB3 . 27977 1 678 . 1 1 57 57 LYS HG2 H 1 1.294 0.02 . 2 . . . . . 202 LYS HG2 . 27977 1 679 . 1 1 57 57 LYS HG3 H 1 1.448 0.02 . 2 . . . . . 202 LYS HG3 . 27977 1 680 . 1 1 57 57 LYS HD2 H 1 1.612 0.02 . 1 . . . . . 202 LYS HD2 . 27977 1 681 . 1 1 57 57 LYS HD3 H 1 1.612 0.02 . 1 . . . . . 202 LYS HD3 . 27977 1 682 . 1 1 57 57 LYS HE2 H 1 2.916 0.02 . 1 . . . . . 202 LYS HE2 . 27977 1 683 . 1 1 57 57 LYS HE3 H 1 2.916 0.02 . 1 . . . . . 202 LYS HE3 . 27977 1 684 . 1 1 57 57 LYS C C 13 177.956 0.3 . 1 . . . . . 202 LYS C . 27977 1 685 . 1 1 57 57 LYS CA C 13 60.19 0.3 . 1 . . . . . 202 LYS CA . 27977 1 686 . 1 1 57 57 LYS CB C 13 32.695 0.3 . 1 . . . . . 202 LYS CB . 27977 1 687 . 1 1 57 57 LYS CG C 13 24.62 0.3 . 1 . . . . . 202 LYS CG . 27977 1 688 . 1 1 57 57 LYS CD C 13 29.302 0.3 . 1 . . . . . 202 LYS CD . 27977 1 689 . 1 1 58 58 VAL H H 1 7.732 0.02 . 1 . . . . . 203 VAL H . 27977 1 690 . 1 1 58 58 VAL HA H 1 3.671 0.02 . 1 . . . . . 203 VAL HA . 27977 1 691 . 1 1 58 58 VAL HB H 1 2.159 0.02 . 1 . . . . . 203 VAL HB . 27977 1 692 . 1 1 58 58 VAL HG11 H 1 0.837 0.02 . 1 . . . . . 203 VAL QG1 . 27977 1 693 . 1 1 58 58 VAL HG12 H 1 0.837 0.02 . 1 . . . . . 203 VAL QG1 . 27977 1 694 . 1 1 58 58 VAL HG13 H 1 0.837 0.02 . 1 . . . . . 203 VAL QG1 . 27977 1 695 . 1 1 58 58 VAL HG21 H 1 0.966 0.02 . 1 . . . . . 203 VAL QG2 . 27977 1 696 . 1 1 58 58 VAL HG22 H 1 0.966 0.02 . 1 . . . . . 203 VAL QG2 . 27977 1 697 . 1 1 58 58 VAL HG23 H 1 0.966 0.02 . 1 . . . . . 203 VAL QG2 . 27977 1 698 . 1 1 58 58 VAL C C 13 178.004 0.3 . 1 . . . . . 203 VAL C . 27977 1 699 . 1 1 58 58 VAL CA C 13 66.44 0.3 . 1 . . . . . 203 VAL CA . 27977 1 700 . 1 1 58 58 VAL CB C 13 31.168 0.3 . 1 . . . . . 203 VAL CB . 27977 1 701 . 1 1 58 58 VAL CG1 C 13 21.355 0.3 . 1 . . . . . 203 VAL CG1 . 27977 1 702 . 1 1 58 58 VAL CG2 C 13 22.414 0.3 . 1 . . . . . 203 VAL CG2 . 27977 1 703 . 1 1 58 58 VAL N N 15 118.358 0.3 . 1 . . . . . 203 VAL N . 27977 1 704 . 1 1 59 59 PHE H H 1 7.92 0.02 . 1 . . . . . 204 PHE H . 27977 1 705 . 1 1 59 59 PHE HA H 1 3.783 0.02 . 1 . . . . . 204 PHE HA . 27977 1 706 . 1 1 59 59 PHE HB2 H 1 3.005 0.02 . 2 . . . . . 204 PHE HB2 . 27977 1 707 . 1 1 59 59 PHE HB3 H 1 3.436 0.02 . 2 . . . . . 204 PHE HB3 . 27977 1 708 . 1 1 59 59 PHE HD1 H 1 7.107 0.02 . 1 . . . . . 204 PHE HD1 . 27977 1 709 . 1 1 59 59 PHE HD2 H 1 7.107 0.02 . 1 . . . . . 204 PHE HD2 . 27977 1 710 . 1 1 59 59 PHE HE1 H 1 6.789 0.02 . 1 . . . . . 204 PHE HE1 . 27977 1 711 . 1 1 59 59 PHE HE2 H 1 6.789 0.02 . 1 . . . . . 204 PHE HE2 . 27977 1 712 . 1 1 59 59 PHE C C 13 180.16 0.3 . 1 . . . . . 204 PHE C . 27977 1 713 . 1 1 59 59 PHE CA C 13 62.246 0.3 . 1 . . . . . 204 PHE CA . 27977 1 714 . 1 1 59 59 PHE CB C 13 39.34 0.3 . 1 . . . . . 204 PHE CB . 27977 1 715 . 1 1 59 59 PHE CD1 C 13 132.582 0.3 . 1 . . . . . 204 PHE CD1 . 27977 1 716 . 1 1 59 59 PHE CD2 C 13 132.582 0.3 . 1 . . . . . 204 PHE CD2 . 27977 1 717 . 1 1 59 59 PHE CE1 C 13 130 0.3 . 1 . . . . . 204 PHE CE1 . 27977 1 718 . 1 1 59 59 PHE CE2 C 13 130 0.3 . 1 . . . . . 204 PHE CE2 . 27977 1 719 . 1 1 59 59 PHE N N 15 121.903 0.3 . 1 . . . . . 204 PHE N . 27977 1 720 . 1 1 60 60 GLN H H 1 8.879 0.02 . 1 . . . . . 205 GLN H . 27977 1 721 . 1 1 60 60 GLN HA H 1 3.839 0.02 . 1 . . . . . 205 GLN HA . 27977 1 722 . 1 1 60 60 GLN HB2 H 1 2.141 0.02 . 1 . . . . . 205 GLN HB2 . 27977 1 723 . 1 1 60 60 GLN HB3 H 1 2.141 0.02 . 1 . . . . . 205 GLN HB3 . 27977 1 724 . 1 1 60 60 GLN HG2 H 1 2.378 0.02 . 1 . . . . . 205 GLN HG2 . 27977 1 725 . 1 1 60 60 GLN HG3 H 1 2.378 0.02 . 1 . . . . . 205 GLN HG3 . 27977 1 726 . 1 1 60 60 GLN C C 13 177.81 0.3 . 1 . . . . . 205 GLN C . 27977 1 727 . 1 1 60 60 GLN CA C 13 59.274 0.3 . 1 . . . . . 205 GLN CA . 27977 1 728 . 1 1 60 60 GLN CB C 13 28.951 0.3 . 1 . . . . . 205 GLN CB . 27977 1 729 . 1 1 60 60 GLN CG C 13 33.696 0.3 . 1 . . . . . 205 GLN CG . 27977 1 730 . 1 1 60 60 GLN N N 15 118.831 0.3 . 1 . . . . . 205 GLN N . 27977 1 731 . 1 1 61 61 GLU H H 1 8.424 0.02 . 1 . . . . . 206 GLU H . 27977 1 732 . 1 1 61 61 GLU HA H 1 4.04 0.02 . 1 . . . . . 206 GLU HA . 27977 1 733 . 1 1 61 61 GLU HB2 H 1 2.085 0.02 . 1 . . . . . 206 GLU HB2 . 27977 1 734 . 1 1 61 61 GLU HB3 H 1 2.085 0.02 . 1 . . . . . 206 GLU HB3 . 27977 1 735 . 1 1 61 61 GLU HG2 H 1 2.448 0.02 . 1 . . . . . 206 GLU HG2 . 27977 1 736 . 1 1 61 61 GLU HG3 H 1 2.448 0.02 . 1 . . . . . 206 GLU HG3 . 27977 1 737 . 1 1 61 61 GLU C C 13 178.408 0.3 . 1 . . . . . 206 GLU C . 27977 1 738 . 1 1 61 61 GLU CA C 13 58.402 0.3 . 1 . . . . . 206 GLU CA . 27977 1 739 . 1 1 61 61 GLU CB C 13 30.557 0.3 . 1 . . . . . 206 GLU CB . 27977 1 740 . 1 1 61 61 GLU CG C 13 36.823 0.3 . 1 . . . . . 206 GLU CG . 27977 1 741 . 1 1 61 61 GLU N N 15 115.099 0.3 . 1 . . . . . 206 GLU N . 27977 1 742 . 1 1 62 62 ARG H H 1 8.088 0.02 . 1 . . . . . 207 ARG H . 27977 1 743 . 1 1 62 62 ARG HA H 1 4.38 0.02 . 1 . . . . . 207 ARG HA . 27977 1 744 . 1 1 62 62 ARG HB2 H 1 1.869 0.02 . 1 . . . . . 207 ARG HB2 . 27977 1 745 . 1 1 62 62 ARG HB3 H 1 1.869 0.02 . 1 . . . . . 207 ARG HB3 . 27977 1 746 . 1 1 62 62 ARG HG2 H 1 1.473 0.02 . 2 . . . . . 207 ARG HG2 . 27977 1 747 . 1 1 62 62 ARG HG3 H 1 1.782 0.02 . 2 . . . . . 207 ARG HG3 . 27977 1 748 . 1 1 62 62 ARG HD2 H 1 2.869 0.02 . 1 . . . . . 207 ARG HD2 . 27977 1 749 . 1 1 62 62 ARG HD3 H 1 2.869 0.02 . 1 . . . . . 207 ARG HD3 . 27977 1 750 . 1 1 62 62 ARG C C 13 175.958 0.3 . 1 . . . . . 207 ARG C . 27977 1 751 . 1 1 62 62 ARG CA C 13 56.242 0.3 . 1 . . . . . 207 ARG CA . 27977 1 752 . 1 1 62 62 ARG CB C 13 32.488 0.3 . 1 . . . . . 207 ARG CB . 27977 1 753 . 1 1 62 62 ARG CG C 13 27.723 0.3 . 1 . . . . . 207 ARG CG . 27977 1 754 . 1 1 62 62 ARG CD C 13 44.241 0.3 . 1 . . . . . 207 ARG CD . 27977 1 755 . 1 1 62 62 ARG N N 15 111.698 0.3 . 1 . . . . . 207 ARG N . 27977 1 756 . 1 1 63 63 ILE H H 1 7.471 0.02 . 1 . . . . . 208 ILE H . 27977 1 757 . 1 1 63 63 ILE HA H 1 3.971 0.02 . 1 . . . . . 208 ILE HA . 27977 1 758 . 1 1 63 63 ILE HB H 1 0.957 0.02 . 1 . . . . . 208 ILE HB . 27977 1 759 . 1 1 63 63 ILE HG12 H 1 1.243 0.02 . 1 . . . . . 208 ILE HG12 . 27977 1 760 . 1 1 63 63 ILE HG13 H 1 1.243 0.02 . 1 . . . . . 208 ILE HG13 . 27977 1 761 . 1 1 63 63 ILE HG21 H 1 0.383 0.02 . 1 . . . . . 208 ILE QG2 . 27977 1 762 . 1 1 63 63 ILE HG22 H 1 0.383 0.02 . 1 . . . . . 208 ILE QG2 . 27977 1 763 . 1 1 63 63 ILE HG23 H 1 0.383 0.02 . 1 . . . . . 208 ILE QG2 . 27977 1 764 . 1 1 63 63 ILE HD11 H 1 0.66 0.02 . 1 . . . . . 208 ILE QD1 . 27977 1 765 . 1 1 63 63 ILE HD12 H 1 0.66 0.02 . 1 . . . . . 208 ILE QD1 . 27977 1 766 . 1 1 63 63 ILE HD13 H 1 0.66 0.02 . 1 . . . . . 208 ILE QD1 . 27977 1 767 . 1 1 63 63 ILE C C 13 177.837 0.3 . 1 . . . . . 208 ILE C . 27977 1 768 . 1 1 63 63 ILE CA C 13 62.603 0.3 . 1 . . . . . 208 ILE CA . 27977 1 769 . 1 1 63 63 ILE CB C 13 38.194 0.3 . 1 . . . . . 208 ILE CB . 27977 1 770 . 1 1 63 63 ILE CG1 C 13 27.799 0.3 . 1 . . . . . 208 ILE CG1 . 27977 1 771 . 1 1 63 63 ILE CG2 C 13 18.287 0.3 . 1 . . . . . 208 ILE CG2 . 27977 1 772 . 1 1 63 63 ILE CD1 C 13 14.826 0.3 . 1 . . . . . 208 ILE CD1 . 27977 1 773 . 1 1 63 63 ILE N N 15 114.807 0.3 . 1 . . . . . 208 ILE N . 27977 1 774 . 1 1 64 64 ASN H H 1 8.186 0.02 . 1 . . . . . 209 ASN H . 27977 1 775 . 1 1 64 64 ASN HA H 1 4.26 0.02 . 1 . . . . . 209 ASN HA . 27977 1 776 . 1 1 64 64 ASN HB2 H 1 2.691 0.02 . 2 . . . . . 209 ASN HB2 . 27977 1 777 . 1 1 64 64 ASN HB3 H 1 2.95 0.02 . 2 . . . . . 209 ASN HB3 . 27977 1 778 . 1 1 64 64 ASN HD21 H 1 7.073 0.02 . 1 . . . . . 209 ASN HD21 . 27977 1 779 . 1 1 64 64 ASN HD22 H 1 7.902 0.02 . 1 . . . . . 209 ASN HD22 . 27977 1 780 . 1 1 64 64 ASN C C 13 173.961 0.3 . 1 . . . . . 209 ASN C . 27977 1 781 . 1 1 64 64 ASN CA C 13 56.03 0.3 . 1 . . . . . 209 ASN CA . 27977 1 782 . 1 1 64 64 ASN CB C 13 40.256 0.3 . 1 . . . . . 209 ASN CB . 27977 1 783 . 1 1 64 64 ASN N N 15 117.195 0.3 . 1 . . . . . 209 ASN N . 27977 1 784 . 1 1 64 64 ASN ND2 N 15 115.58 0.3 . 1 . . . . . 209 ASN ND2 . 27977 1 785 . 1 1 65 65 CYS H H 1 7.002 0.02 . 1 . . . . . 210 CYS H . 27977 1 786 . 1 1 65 65 CYS HA H 1 4.477 0.02 . 1 . . . . . 210 CYS HA . 27977 1 787 . 1 1 65 65 CYS HB2 H 1 2.801 0.02 . 2 . . . . . 210 CYS HB2 . 27977 1 788 . 1 1 65 65 CYS HB3 H 1 3.15 0.02 . 2 . . . . . 210 CYS HB3 . 27977 1 789 . 1 1 65 65 CYS C C 13 173.224 0.3 . 1 . . . . . 210 CYS C . 27977 1 790 . 1 1 65 65 CYS CA C 13 55.837 0.3 . 1 . . . . . 210 CYS CA . 27977 1 791 . 1 1 65 65 CYS CB C 13 27.426 0.3 . 1 . . . . . 210 CYS CB . 27977 1 792 . 1 1 65 65 CYS N N 15 108.655 0.3 . 1 . . . . . 210 CYS N . 27977 1 793 . 1 1 66 66 LEU H H 1 7.345 0.02 . 1 . . . . . 211 LEU H . 27977 1 794 . 1 1 66 66 LEU HA H 1 4.464 0.02 . 1 . . . . . 211 LEU HA . 27977 1 795 . 1 1 66 66 LEU HB2 H 1 1.061 0.02 . 2 . . . . . 211 LEU HB2 . 27977 1 796 . 1 1 66 66 LEU HB3 H 1 1.888 0.02 . 2 . . . . . 211 LEU HB3 . 27977 1 797 . 1 1 66 66 LEU HG H 1 1.519 0.02 . 1 . . . . . 211 LEU HG . 27977 1 798 . 1 1 66 66 LEU HD11 H 1 0.775 0.02 . 1 . . . . . 211 LEU QD1 . 27977 1 799 . 1 1 66 66 LEU HD12 H 1 0.775 0.02 . 1 . . . . . 211 LEU QD1 . 27977 1 800 . 1 1 66 66 LEU HD13 H 1 0.775 0.02 . 1 . . . . . 211 LEU QD1 . 27977 1 801 . 1 1 66 66 LEU HD21 H 1 0.546 0.02 . 1 . . . . . 211 LEU QD2 . 27977 1 802 . 1 1 66 66 LEU HD22 H 1 0.546 0.02 . 1 . . . . . 211 LEU QD2 . 27977 1 803 . 1 1 66 66 LEU HD23 H 1 0.546 0.02 . 1 . . . . . 211 LEU QD2 . 27977 1 804 . 1 1 66 66 LEU C C 13 176.363 0.3 . 1 . . . . . 211 LEU C . 27977 1 805 . 1 1 66 66 LEU CA C 13 53.118 0.3 . 1 . . . . . 211 LEU CA . 27977 1 806 . 1 1 66 66 LEU CB C 13 43.275 0.3 . 1 . . . . . 211 LEU CB . 27977 1 807 . 1 1 66 66 LEU CG C 13 26.027 0.3 . 1 . . . . . 211 LEU CG . 27977 1 808 . 1 1 66 66 LEU CD1 C 13 26.953 0.3 . 1 . . . . . 211 LEU CD1 . 27977 1 809 . 1 1 66 66 LEU CD2 C 13 22.554 0.3 . 1 . . . . . 211 LEU CD2 . 27977 1 810 . 1 1 66 66 LEU N N 15 123.312 0.3 . 1 . . . . . 211 LEU N . 27977 1 811 . 1 1 67 67 GLU H H 1 9.405 0.02 . 1 . . . . . 212 GLU H . 27977 1 812 . 1 1 67 67 GLU HA H 1 4.221 0.02 . 1 . . . . . 212 GLU HA . 27977 1 813 . 1 1 67 67 GLU HB2 H 1 1.696 0.02 . 2 . . . . . 212 GLU HB2 . 27977 1 814 . 1 1 67 67 GLU HB3 H 1 1.858 0.02 . 2 . . . . . 212 GLU HB3 . 27977 1 815 . 1 1 67 67 GLU HG2 H 1 2.266 0.02 . 2 . . . . . 212 GLU HG2 . 27977 1 816 . 1 1 67 67 GLU HG3 H 1 2.224 0.02 . 2 . . . . . 212 GLU HG3 . 27977 1 817 . 1 1 67 67 GLU C C 13 177.766 0.3 . 1 . . . . . 212 GLU C . 27977 1 818 . 1 1 67 67 GLU CA C 13 57.043 0.3 . 1 . . . . . 212 GLU CA . 27977 1 819 . 1 1 67 67 GLU CB C 13 30.022 0.3 . 1 . . . . . 212 GLU CB . 27977 1 820 . 1 1 67 67 GLU CG C 13 35.857 0.3 . 1 . . . . . 212 GLU CG . 27977 1 821 . 1 1 67 67 GLU N N 15 124.995 0.3 . 1 . . . . . 212 GLU N . 27977 1 822 . 1 1 68 68 GLY H H 1 8.632 0.02 . 1 . . . . . 213 GLY H . 27977 1 823 . 1 1 68 68 GLY HA2 H 1 3.519 0.02 . 2 . . . . . 213 GLY HA2 . 27977 1 824 . 1 1 68 68 GLY HA3 H 1 4.089 0.02 . 2 . . . . . 213 GLY HA3 . 27977 1 825 . 1 1 68 68 GLY C C 13 174.175 0.3 . 1 . . . . . 213 GLY C . 27977 1 826 . 1 1 68 68 GLY CA C 13 45.985 0.3 . 1 . . . . . 213 GLY CA . 27977 1 827 . 1 1 68 68 GLY N N 15 109.6 0.3 . 1 . . . . . 213 GLY N . 27977 1 828 . 1 1 69 69 THR H H 1 7.307 0.02 . 1 . . . . . 214 THR H . 27977 1 829 . 1 1 69 69 THR HA H 1 3.681 0.02 . 1 . . . . . 214 THR HA . 27977 1 830 . 1 1 69 69 THR HB H 1 3.855 0.02 . 1 . . . . . 214 THR HB . 27977 1 831 . 1 1 69 69 THR HG21 H 1 1.065 0.02 . 1 . . . . . 214 THR QG2 . 27977 1 832 . 1 1 69 69 THR HG22 H 1 1.065 0.02 . 1 . . . . . 214 THR QG2 . 27977 1 833 . 1 1 69 69 THR HG23 H 1 1.065 0.02 . 1 . . . . . 214 THR QG2 . 27977 1 834 . 1 1 69 69 THR C C 13 177.052 0.3 . 1 . . . . . 214 THR C . 27977 1 835 . 1 1 69 69 THR CA C 13 64.849 0.3 . 1 . . . . . 214 THR CA . 27977 1 836 . 1 1 69 69 THR CB C 13 67.864 0.3 . 1 . . . . . 214 THR CB . 27977 1 837 . 1 1 69 69 THR CG2 C 13 24.104 0.3 . 1 . . . . . 214 THR CG2 . 27977 1 838 . 1 1 69 69 THR N N 15 109.676 0.3 . 1 . . . . . 214 THR N . 27977 1 839 . 1 1 70 70 HIS H H 1 8.306 0.02 . 1 . . . . . 215 HIS H . 27977 1 840 . 1 1 70 70 HIS HA H 1 4.487 0.02 . 1 . . . . . 215 HIS HA . 27977 1 841 . 1 1 70 70 HIS HB2 H 1 3.134 0.02 . 2 . . . . . 215 HIS HB2 . 27977 1 842 . 1 1 70 70 HIS HB3 H 1 3.25 0.02 . 2 . . . . . 215 HIS HB3 . 27977 1 843 . 1 1 70 70 HIS HD2 H 1 7.283 0.02 . 1 . . . . . 215 HIS HD2 . 27977 1 844 . 1 1 70 70 HIS HE1 H 1 7.942 0.02 . 1 . . . . . 215 HIS HE1 . 27977 1 845 . 1 1 70 70 HIS C C 13 177.336 0.3 . 1 . . . . . 215 HIS C . 27977 1 846 . 1 1 70 70 HIS CA C 13 60.635 0.3 . 1 . . . . . 215 HIS CA . 27977 1 847 . 1 1 70 70 HIS CB C 13 29.138 0.3 . 1 . . . . . 215 HIS CB . 27977 1 848 . 1 1 70 70 HIS CD2 C 13 118.171 0.3 . 1 . . . . . 215 HIS CD2 . 27977 1 849 . 1 1 70 70 HIS CE1 C 13 137.484 0.3 . 1 . . . . . 215 HIS CE1 . 27977 1 850 . 1 1 70 70 HIS N N 15 122.59 0.3 . 1 . . . . . 215 HIS N . 27977 1 851 . 1 1 70 70 HIS ND1 N 15 228.94 0.3 . 1 . . . . . 215 HIS ND1 . 27977 1 852 . 1 1 70 70 HIS NE2 N 15 168.08 0.3 . 1 . . . . . 215 HIS NE2 . 27977 1 853 . 1 1 71 71 GLU H H 1 8.717 0.02 . 1 . . . . . 216 GLU H . 27977 1 854 . 1 1 71 71 GLU HA H 1 3.854 0.02 . 1 . . . . . 216 GLU HA . 27977 1 855 . 1 1 71 71 GLU HB2 H 1 1.916 0.02 . 2 . . . . . 216 GLU HB2 . 27977 1 856 . 1 1 71 71 GLU HB3 H 1 1.978 0.02 . 2 . . . . . 216 GLU HB3 . 27977 1 857 . 1 1 71 71 GLU HG2 H 1 2.255 0.02 . 2 . . . . . 216 GLU HG2 . 27977 1 858 . 1 1 71 71 GLU HG3 H 1 2.325 0.02 . 2 . . . . . 216 GLU HG3 . 27977 1 859 . 1 1 71 71 GLU C C 13 179.282 0.3 . 1 . . . . . 216 GLU C . 27977 1 860 . 1 1 71 71 GLU CA C 13 60.045 0.3 . 1 . . . . . 216 GLU CA . 27977 1 861 . 1 1 71 71 GLU CB C 13 28.8 0.3 . 1 . . . . . 216 GLU CB . 27977 1 862 . 1 1 71 71 GLU CG C 13 37.61 0.3 . 1 . . . . . 216 GLU CG . 27977 1 863 . 1 1 71 71 GLU N N 15 118.305 0.3 . 1 . . . . . 216 GLU N . 27977 1 864 . 1 1 72 72 PHE H H 1 7.971 0.02 . 1 . . . . . 217 PHE H . 27977 1 865 . 1 1 72 72 PHE HA H 1 4.305 0.02 . 1 . . . . . 217 PHE HA . 27977 1 866 . 1 1 72 72 PHE HB2 H 1 2.933 0.02 . 1 . . . . . 217 PHE HB2 . 27977 1 867 . 1 1 72 72 PHE HB3 H 1 2.933 0.02 . 1 . . . . . 217 PHE HB3 . 27977 1 868 . 1 1 72 72 PHE HD1 H 1 6.727 0.02 . 1 . . . . . 217 PHE HD1 . 27977 1 869 . 1 1 72 72 PHE HD2 H 1 6.727 0.02 . 1 . . . . . 217 PHE HD2 . 27977 1 870 . 1 1 72 72 PHE HE1 H 1 6.673 0.02 . 1 . . . . . 217 PHE HE1 . 27977 1 871 . 1 1 72 72 PHE HE2 H 1 6.673 0.02 . 1 . . . . . 217 PHE HE2 . 27977 1 872 . 1 1 72 72 PHE C C 13 176.125 0.3 . 1 . . . . . 217 PHE C . 27977 1 873 . 1 1 72 72 PHE CA C 13 61.786 0.3 . 1 . . . . . 217 PHE CA . 27977 1 874 . 1 1 72 72 PHE CB C 13 39.111 0.3 . 1 . . . . . 217 PHE CB . 27977 1 875 . 1 1 72 72 PHE CD1 C 13 131.116 0.3 . 1 . . . . . 217 PHE CD1 . 27977 1 876 . 1 1 72 72 PHE CE1 C 13 130.973 0.3 . 1 . . . . . 217 PHE CE1 . 27977 1 877 . 1 1 72 72 PHE N N 15 122.189 0.3 . 1 . . . . . 217 PHE N . 27977 1 878 . 1 1 73 73 PHE H H 1 8.051 0.02 . 1 . . . . . 218 PHE H . 27977 1 879 . 1 1 73 73 PHE HA H 1 3.491 0.02 . 1 . . . . . 218 PHE HA . 27977 1 880 . 1 1 73 73 PHE HB2 H 1 1.692 0.02 . 2 . . . . . 218 PHE HB2 . 27977 1 881 . 1 1 73 73 PHE HB3 H 1 2.521 0.02 . 2 . . . . . 218 PHE HB3 . 27977 1 882 . 1 1 73 73 PHE HD1 H 1 6.584 0.02 . 1 . . . . . 218 PHE HD1 . 27977 1 883 . 1 1 73 73 PHE HD2 H 1 6.584 0.02 . 1 . . . . . 218 PHE HD2 . 27977 1 884 . 1 1 73 73 PHE HE1 H 1 6.624 0.02 . 1 . . . . . 218 PHE HE1 . 27977 1 885 . 1 1 73 73 PHE HE2 H 1 6.624 0.02 . 1 . . . . . 218 PHE HE2 . 27977 1 886 . 1 1 73 73 PHE HZ H 1 6.884 0.02 . 1 . . . . . 218 PHE HZ . 27977 1 887 . 1 1 73 73 PHE C C 13 178.289 0.3 . 1 . . . . . 218 PHE C . 27977 1 888 . 1 1 73 73 PHE CA C 13 63.321 0.3 . 1 . . . . . 218 PHE CA . 27977 1 889 . 1 1 73 73 PHE CB C 13 37.489 0.3 . 1 . . . . . 218 PHE CB . 27977 1 890 . 1 1 73 73 PHE CD1 C 13 131.387 0.3 . 1 . . . . . 218 PHE CD1 . 27977 1 891 . 1 1 73 73 PHE CD2 C 13 131.387 0.3 . 1 . . . . . 218 PHE CD2 . 27977 1 892 . 1 1 73 73 PHE CE1 C 13 129.344 0.3 . 1 . . . . . 218 PHE CE1 . 27977 1 893 . 1 1 73 73 PHE CE2 C 13 129.344 0.3 . 1 . . . . . 218 PHE CE2 . 27977 1 894 . 1 1 73 73 PHE CZ C 13 127.392 0.3 . 1 . . . . . 218 PHE CZ . 27977 1 895 . 1 1 73 73 PHE N N 15 116.861 0.3 . 1 . . . . . 218 PHE N . 27977 1 896 . 1 1 74 74 GLU H H 1 7.973 0.02 . 1 . . . . . 219 GLU H . 27977 1 897 . 1 1 74 74 GLU HA H 1 4.607 0.02 . 1 . . . . . 219 GLU HA . 27977 1 898 . 1 1 74 74 GLU HB2 H 1 1.918 0.02 . 2 . . . . . 219 GLU HB2 . 27977 1 899 . 1 1 74 74 GLU HB3 H 1 2.013 0.02 . 2 . . . . . 219 GLU HB3 . 27977 1 900 . 1 1 74 74 GLU HG2 H 1 2.291 0.02 . 2 . . . . . 219 GLU HG2 . 27977 1 901 . 1 1 74 74 GLU HG3 H 1 2.538 0.02 . 2 . . . . . 219 GLU HG3 . 27977 1 902 . 1 1 74 74 GLU C C 13 180.311 0.3 . 1 . . . . . 219 GLU C . 27977 1 903 . 1 1 74 74 GLU CA C 13 58.412 0.3 . 1 . . . . . 219 GLU CA . 27977 1 904 . 1 1 74 74 GLU CB C 13 29.275 0.3 . 1 . . . . . 219 GLU CB . 27977 1 905 . 1 1 74 74 GLU CG C 13 37.334 0.3 . 1 . . . . . 219 GLU CG . 27977 1 906 . 1 1 74 74 GLU N N 15 116.1 0.3 . 1 . . . . . 219 GLU N . 27977 1 907 . 1 1 75 75 ALA H H 1 8.269 0.02 . 1 . . . . . 220 ALA H . 27977 1 908 . 1 1 75 75 ALA HA H 1 3.934 0.02 . 1 . . . . . 220 ALA HA . 27977 1 909 . 1 1 75 75 ALA HB1 H 1 1.176 0.02 . 1 . . . . . 220 ALA HB . 27977 1 910 . 1 1 75 75 ALA HB2 H 1 1.176 0.02 . 1 . . . . . 220 ALA HB . 27977 1 911 . 1 1 75 75 ALA HB3 H 1 1.176 0.02 . 1 . . . . . 220 ALA HB . 27977 1 912 . 1 1 75 75 ALA C C 13 179.353 0.3 . 1 . . . . . 220 ALA C . 27977 1 913 . 1 1 75 75 ALA CA C 13 54.326 0.3 . 1 . . . . . 220 ALA CA . 27977 1 914 . 1 1 75 75 ALA CB C 13 17.955 0.3 . 1 . . . . . 220 ALA CB . 27977 1 915 . 1 1 75 75 ALA N N 15 122.96 0.3 . 1 . . . . . 220 ALA N . 27977 1 916 . 1 1 76 76 ILE H H 1 7.31 0.02 . 1 . . . . . 221 ILE H . 27977 1 917 . 1 1 76 76 ILE HA H 1 3.887 0.02 . 1 . . . . . 221 ILE HA . 27977 1 918 . 1 1 76 76 ILE HB H 1 1.825 0.02 . 1 . . . . . 221 ILE HB . 27977 1 919 . 1 1 76 76 ILE HG12 H 1 1.151 0.02 . 2 . . . . . 221 ILE HG12 . 27977 1 920 . 1 1 76 76 ILE HG13 H 1 1.229 0.02 . 2 . . . . . 221 ILE HG13 . 27977 1 921 . 1 1 76 76 ILE HG21 H 1 -0.234 0.02 . 1 . . . . . 221 ILE QG2 . 27977 1 922 . 1 1 76 76 ILE HG22 H 1 -0.234 0.02 . 1 . . . . . 221 ILE QG2 . 27977 1 923 . 1 1 76 76 ILE HG23 H 1 -0.234 0.02 . 1 . . . . . 221 ILE QG2 . 27977 1 924 . 1 1 76 76 ILE HD11 H 1 0.454 0.02 . 1 . . . . . 221 ILE QD1 . 27977 1 925 . 1 1 76 76 ILE HD12 H 1 0.454 0.02 . 1 . . . . . 221 ILE QD1 . 27977 1 926 . 1 1 76 76 ILE HD13 H 1 0.454 0.02 . 1 . . . . . 221 ILE QD1 . 27977 1 927 . 1 1 76 76 ILE C C 13 175.507 0.3 . 1 . . . . . 221 ILE C . 27977 1 928 . 1 1 76 76 ILE CA C 13 61.417 0.3 . 1 . . . . . 221 ILE CA . 27977 1 929 . 1 1 76 76 ILE CB C 13 37.334 0.3 . 1 . . . . . 221 ILE CB . 27977 1 930 . 1 1 76 76 ILE CG1 C 13 24.578 0.3 . 1 . . . . . 221 ILE CG1 . 27977 1 931 . 1 1 76 76 ILE CG2 C 13 16.566 0.3 . 1 . . . . . 221 ILE CG2 . 27977 1 932 . 1 1 76 76 ILE CD1 C 13 15.971 0.3 . 1 . . . . . 221 ILE CD1 . 27977 1 933 . 1 1 76 76 ILE N N 15 107.943 0.3 . 1 . . . . . 221 ILE N . 27977 1 934 . 1 1 77 77 GLY H H 1 7.127 0.02 . 1 . . . . . 222 GLY H . 27977 1 935 . 1 1 77 77 GLY HA2 H 1 3.855 0.02 . 1 . . . . . 222 GLY HA2 . 27977 1 936 . 1 1 77 77 GLY HA3 H 1 3.855 0.02 . 1 . . . . . 222 GLY HA3 . 27977 1 937 . 1 1 77 77 GLY C C 13 175.608 0.3 . 1 . . . . . 222 GLY C . 27977 1 938 . 1 1 77 77 GLY CA C 13 45.051 0.3 . 1 . . . . . 222 GLY CA . 27977 1 939 . 1 1 77 77 GLY N N 15 104.613 0.3 . 1 . . . . . 222 GLY N . 27977 1 940 . 1 1 78 78 PHE H H 1 8.373 0.02 . 1 . . . . . 223 PHE H . 27977 1 941 . 1 1 78 78 PHE HA H 1 4.847 0.02 . 1 . . . . . 223 PHE HA . 27977 1 942 . 1 1 78 78 PHE HB2 H 1 2.498 0.02 . 2 . . . . . 223 PHE HB2 . 27977 1 943 . 1 1 78 78 PHE HB3 H 1 2.718 0.02 . 2 . . . . . 223 PHE HB3 . 27977 1 944 . 1 1 78 78 PHE HD1 H 1 7.081 0.02 . 1 . . . . . 223 PHE HD1 . 27977 1 945 . 1 1 78 78 PHE HD2 H 1 7.081 0.02 . 1 . . . . . 223 PHE HD2 . 27977 1 946 . 1 1 78 78 PHE HE1 H 1 7.043 0.02 . 1 . . . . . 223 PHE HE1 . 27977 1 947 . 1 1 78 78 PHE HE2 H 1 7.043 0.02 . 1 . . . . . 223 PHE HE2 . 27977 1 948 . 1 1 78 78 PHE HZ H 1 6.983 0.02 . 1 . . . . . 223 PHE HZ . 27977 1 949 . 1 1 78 78 PHE C C 13 175.608 0.3 . 1 . . . . . 223 PHE C . 27977 1 950 . 1 1 78 78 PHE CA C 13 58.342 0.3 . 1 . . . . . 223 PHE CA . 27977 1 951 . 1 1 78 78 PHE CB C 13 39.875 0.3 . 1 . . . . . 223 PHE CB . 27977 1 952 . 1 1 78 78 PHE CD1 C 13 132.648 0.3 . 1 . . . . . 223 PHE CD1 . 27977 1 953 . 1 1 78 78 PHE CD2 C 13 132.648 0.3 . 1 . . . . . 223 PHE CD2 . 27977 1 954 . 1 1 78 78 PHE CE1 C 13 131.28 0.3 . 1 . . . . . 223 PHE CE1 . 27977 1 955 . 1 1 78 78 PHE CE2 C 13 131.28 0.3 . 1 . . . . . 223 PHE CE2 . 27977 1 956 . 1 1 78 78 PHE CZ C 13 128.99 0.3 . 1 . . . . . 223 PHE CZ . 27977 1 957 . 1 1 78 78 PHE N N 15 119.436 0.3 . 1 . . . . . 223 PHE N . 27977 1 958 . 1 1 79 79 GLN H H 1 8.951 0.02 . 1 . . . . . 224 GLN H . 27977 1 959 . 1 1 79 79 GLN HA H 1 4.817 0.02 . 1 . . . . . 224 GLN HA . 27977 1 960 . 1 1 79 79 GLN HB2 H 1 1.914 0.02 . 2 . . . . . 224 GLN HB2 . 27977 1 961 . 1 1 79 79 GLN HB3 H 1 1.984 0.02 . 2 . . . . . 224 GLN HB3 . 27977 1 962 . 1 1 79 79 GLN HG2 H 1 2.28 0.02 . 1 . . . . . 224 GLN HG2 . 27977 1 963 . 1 1 79 79 GLN HG3 H 1 2.28 0.02 . 1 . . . . . 224 GLN HG3 . 27977 1 964 . 1 1 79 79 GLN C C 13 175.081 0.3 . 1 . . . . . 224 GLN C . 27977 1 965 . 1 1 79 79 GLN CA C 13 53.635 0.3 . 1 . . . . . 224 GLN CA . 27977 1 966 . 1 1 79 79 GLN CB C 13 31.84 0.3 . 1 . . . . . 224 GLN CB . 27977 1 967 . 1 1 79 79 GLN CG C 13 33.834 0.3 . 1 . . . . . 224 GLN CG . 27977 1 968 . 1 1 79 79 GLN N N 15 118.909 0.3 . 1 . . . . . 224 GLN N . 27977 1 969 . 1 1 80 80 LYS H H 1 9.183 0.02 . 1 . . . . . 225 LYS H . 27977 1 970 . 1 1 80 80 LYS HA H 1 4.875 0.02 . 1 . . . . . 225 LYS HA . 27977 1 971 . 1 1 80 80 LYS HB2 H 1 1.441 0.02 . 2 . . . . . 225 LYS HB2 . 27977 1 972 . 1 1 80 80 LYS HB3 H 1 1.72 0.02 . 2 . . . . . 225 LYS HB3 . 27977 1 973 . 1 1 80 80 LYS HG2 H 1 0.777 0.02 . 2 . . . . . 225 LYS HG2 . 27977 1 974 . 1 1 80 80 LYS HG3 H 1 0.864 0.02 . 2 . . . . . 225 LYS HG3 . 27977 1 975 . 1 1 80 80 LYS HD2 H 1 1.247 0.02 . 2 . . . . . 225 LYS HD2 . 27977 1 976 . 1 1 80 80 LYS HD3 H 1 1.311 0.02 . 2 . . . . . 225 LYS HD3 . 27977 1 977 . 1 1 80 80 LYS HE2 H 1 2.51 0.02 . 2 . . . . . 225 LYS HE2 . 27977 1 978 . 1 1 80 80 LYS HE3 H 1 2.594 0.02 . 2 . . . . . 225 LYS HE3 . 27977 1 979 . 1 1 80 80 LYS C C 13 176.291 0.3 . 1 . . . . . 225 LYS C . 27977 1 980 . 1 1 80 80 LYS CA C 13 56.074 0.3 . 1 . . . . . 225 LYS CA . 27977 1 981 . 1 1 80 80 LYS CB C 13 32.06 0.3 . 1 . . . . . 225 LYS CB . 27977 1 982 . 1 1 80 80 LYS CG C 13 24.624 0.3 . 1 . . . . . 225 LYS CG . 27977 1 983 . 1 1 80 80 LYS CD C 13 28.701 0.3 . 1 . . . . . 225 LYS CD . 27977 1 984 . 1 1 80 80 LYS CE C 13 41.036 0.3 . 1 . . . . . 225 LYS CE . 27977 1 985 . 1 1 80 80 LYS N N 15 126.756 0.3 . 1 . . . . . 225 LYS N . 27977 1 986 . 1 1 81 81 VAL H H 1 9.269 0.02 . 1 . . . . . 226 VAL H . 27977 1 987 . 1 1 81 81 VAL HA H 1 4.443 0.02 . 1 . . . . . 226 VAL HA . 27977 1 988 . 1 1 81 81 VAL HB H 1 1.871 0.02 . 1 . . . . . 226 VAL HB . 27977 1 989 . 1 1 81 81 VAL HG11 H 1 0.758 0.02 . 1 . . . . . 226 VAL QG1 . 27977 1 990 . 1 1 81 81 VAL HG12 H 1 0.758 0.02 . 1 . . . . . 226 VAL QG1 . 27977 1 991 . 1 1 81 81 VAL HG13 H 1 0.758 0.02 . 1 . . . . . 226 VAL QG1 . 27977 1 992 . 1 1 81 81 VAL HG21 H 1 0.774 0.02 . 1 . . . . . 226 VAL QG2 . 27977 1 993 . 1 1 81 81 VAL HG22 H 1 0.774 0.02 . 1 . . . . . 226 VAL QG2 . 27977 1 994 . 1 1 81 81 VAL HG23 H 1 0.774 0.02 . 1 . . . . . 226 VAL QG2 . 27977 1 995 . 1 1 81 81 VAL C C 13 173.557 0.3 . 1 . . . . . 226 VAL C . 27977 1 996 . 1 1 81 81 VAL CA C 13 60.082 0.3 . 1 . . . . . 226 VAL CA . 27977 1 997 . 1 1 81 81 VAL CB C 13 36.132 0.3 . 1 . . . . . 226 VAL CB . 27977 1 998 . 1 1 81 81 VAL CG1 C 13 20.056 0.3 . 1 . . . . . 226 VAL CG1 . 27977 1 999 . 1 1 81 81 VAL CG2 C 13 21.263 0.3 . 1 . . . . . 226 VAL CG2 . 27977 1 1000 . 1 1 81 81 VAL N N 15 125.39 0.3 . 1 . . . . . 226 VAL N . 27977 1 1001 . 1 1 82 82 LEU H H 1 8.16 0.02 . 1 . . . . . 227 LEU H . 27977 1 1002 . 1 1 82 82 LEU HA H 1 4.87 0.02 . 1 . . . . . 227 LEU HA . 27977 1 1003 . 1 1 82 82 LEU HB2 H 1 1.211 0.02 . 2 . . . . . 227 LEU HB2 . 27977 1 1004 . 1 1 82 82 LEU HB3 H 1 1.503 0.02 . 2 . . . . . 227 LEU HB3 . 27977 1 1005 . 1 1 82 82 LEU HG H 1 1.363 0.02 . 1 . . . . . 227 LEU HG . 27977 1 1006 . 1 1 82 82 LEU HD11 H 1 0.676 0.02 . 1 . . . . . 227 LEU QD1 . 27977 1 1007 . 1 1 82 82 LEU HD12 H 1 0.676 0.02 . 1 . . . . . 227 LEU QD1 . 27977 1 1008 . 1 1 82 82 LEU HD13 H 1 0.676 0.02 . 1 . . . . . 227 LEU QD1 . 27977 1 1009 . 1 1 82 82 LEU HD21 H 1 0.618 0.02 . 1 . . . . . 227 LEU QD2 . 27977 1 1010 . 1 1 82 82 LEU HD22 H 1 0.618 0.02 . 1 . . . . . 227 LEU QD2 . 27977 1 1011 . 1 1 82 82 LEU HD23 H 1 0.618 0.02 . 1 . . . . . 227 LEU QD2 . 27977 1 1012 . 1 1 82 82 LEU C C 13 176.648 0.3 . 1 . . . . . 227 LEU C . 27977 1 1013 . 1 1 82 82 LEU CA C 13 53.322 0.3 . 1 . . . . . 227 LEU CA . 27977 1 1014 . 1 1 82 82 LEU CB C 13 42.853 0.3 . 1 . . . . . 227 LEU CB . 27977 1 1015 . 1 1 82 82 LEU CG C 13 27.074 0.3 . 1 . . . . . 227 LEU CG . 27977 1 1016 . 1 1 82 82 LEU CD1 C 13 24.531 0.3 . 1 . . . . . 227 LEU CD1 . 27977 1 1017 . 1 1 82 82 LEU CD2 C 13 24.5 0.3 . 1 . . . . . 227 LEU CD2 . 27977 1 1018 . 1 1 82 82 LEU N N 15 124.229 0.3 . 1 . . . . . 227 LEU N . 27977 1 1019 . 1 1 83 83 LEU H H 1 9.011 0.02 . 1 . . . . . 228 LEU H . 27977 1 1020 . 1 1 83 83 LEU HA H 1 4.86 0.02 . 1 . . . . . 228 LEU HA . 27977 1 1021 . 1 1 83 83 LEU HB2 H 1 1.273 0.02 . 2 . . . . . 228 LEU HB2 . 27977 1 1022 . 1 1 83 83 LEU HB3 H 1 1.524 0.02 . 2 . . . . . 228 LEU HB3 . 27977 1 1023 . 1 1 83 83 LEU HG H 1 1.372 0.02 . 1 . . . . . 228 LEU HG . 27977 1 1024 . 1 1 83 83 LEU HD11 H 1 0.233 0.02 . 1 . . . . . 228 LEU QD1 . 27977 1 1025 . 1 1 83 83 LEU HD12 H 1 0.233 0.02 . 1 . . . . . 228 LEU QD1 . 27977 1 1026 . 1 1 83 83 LEU HD13 H 1 0.233 0.02 . 1 . . . . . 228 LEU QD1 . 27977 1 1027 . 1 1 83 83 LEU HD21 H 1 0.689 0.02 . 1 . . . . . 228 LEU QD2 . 27977 1 1028 . 1 1 83 83 LEU HD22 H 1 0.689 0.02 . 1 . . . . . 228 LEU QD2 . 27977 1 1029 . 1 1 83 83 LEU HD23 H 1 0.689 0.02 . 1 . . . . . 228 LEU QD2 . 27977 1 1030 . 1 1 83 83 LEU C C 13 174.222 0.3 . 1 . . . . . 228 LEU C . 27977 1 1031 . 1 1 83 83 LEU CA C 13 51.586 0.3 . 1 . . . . . 228 LEU CA . 27977 1 1032 . 1 1 83 83 LEU CB C 13 43.274 0.3 . 1 . . . . . 228 LEU CB . 27977 1 1033 . 1 1 83 83 LEU CG C 13 24.483 0.3 . 1 . . . . . 228 LEU CG . 27977 1 1034 . 1 1 83 83 LEU CD1 C 13 24.532 0.3 . 1 . . . . . 228 LEU CD1 . 27977 1 1035 . 1 1 83 83 LEU CD2 C 13 22.991 0.3 . 1 . . . . . 228 LEU CD2 . 27977 1 1036 . 1 1 83 83 LEU N N 15 125.977 0.3 . 1 . . . . . 228 LEU N . 27977 1 1037 . 1 1 84 84 PRO HA H 1 4.251 0.02 . 1 . . . . . 229 PRO HA . 27977 1 1038 . 1 1 84 84 PRO HB2 H 1 1.766 0.02 . 2 . . . . . 229 PRO HB2 . 27977 1 1039 . 1 1 84 84 PRO HB3 H 1 2.164 0.02 . 2 . . . . . 229 PRO HB3 . 27977 1 1040 . 1 1 84 84 PRO HG2 H 1 1.875 0.02 . 2 . . . . . 229 PRO HG2 . 27977 1 1041 . 1 1 84 84 PRO HG3 H 1 1.948 0.02 . 2 . . . . . 229 PRO HG3 . 27977 1 1042 . 1 1 84 84 PRO HD2 H 1 3.505 0.02 . 2 . . . . . 229 PRO HD2 . 27977 1 1043 . 1 1 84 84 PRO HD3 H 1 3.708 0.02 . 2 . . . . . 229 PRO HD3 . 27977 1 1044 . 1 1 84 84 PRO C C 13 176.291 0.3 . 1 . . . . . 229 PRO C . 27977 1 1045 . 1 1 84 84 PRO CA C 13 62.679 0.3 . 1 . . . . . 229 PRO CA . 27977 1 1046 . 1 1 84 84 PRO CB C 13 31.879 0.3 . 1 . . . . . 229 PRO CB . 27977 1 1047 . 1 1 84 84 PRO CG C 13 27.118 0.3 . 1 . . . . . 229 PRO CG . 27977 1 1048 . 1 1 84 84 PRO CD C 13 50.463 0.3 . 1 . . . . . 229 PRO CD . 27977 1 1049 . 1 1 85 85 ALA H H 1 8.731 0.02 . 1 . . . . . 230 ALA H . 27977 1 1050 . 1 1 85 85 ALA HA H 1 4.353 0.02 . 1 . . . . . 230 ALA HA . 27977 1 1051 . 1 1 85 85 ALA HB1 H 1 1.304 0.02 . 1 . . . . . 230 ALA HB . 27977 1 1052 . 1 1 85 85 ALA HB2 H 1 1.304 0.02 . 1 . . . . . 230 ALA HB . 27977 1 1053 . 1 1 85 85 ALA HB3 H 1 1.304 0.02 . 1 . . . . . 230 ALA HB . 27977 1 1054 . 1 1 85 85 ALA C C 13 177.457 0.3 . 1 . . . . . 230 ALA C . 27977 1 1055 . 1 1 85 85 ALA CA C 13 51.471 0.3 . 1 . . . . . 230 ALA CA . 27977 1 1056 . 1 1 85 85 ALA CB C 13 20.572 0.3 . 1 . . . . . 230 ALA CB . 27977 1 1057 . 1 1 85 85 ALA N N 15 125.949 0.3 . 1 . . . . . 230 ALA N . 27977 1 1058 . 1 1 86 86 GLN H H 1 8.357 0.02 . 1 . . . . . 231 GLN H . 27977 1 1059 . 1 1 86 86 GLN HA H 1 4.126 0.02 . 1 . . . . . 231 GLN HA . 27977 1 1060 . 1 1 86 86 GLN HB2 H 1 1.883 0.02 . 2 . . . . . 231 GLN HB2 . 27977 1 1061 . 1 1 86 86 GLN HB3 H 1 1.959 0.02 . 2 . . . . . 231 GLN HB3 . 27977 1 1062 . 1 1 86 86 GLN HG2 H 1 2.232 0.02 . 1 . . . . . 231 GLN HG2 . 27977 1 1063 . 1 1 86 86 GLN HG3 H 1 2.232 0.02 . 1 . . . . . 231 GLN HG3 . 27977 1 1064 . 1 1 86 86 GLN C C 13 176.007 0.3 . 1 . . . . . 231 GLN C . 27977 1 1065 . 1 1 86 86 GLN CA C 13 56.202 0.3 . 1 . . . . . 231 GLN CA . 27977 1 1066 . 1 1 86 86 GLN CB C 13 29.321 0.3 . 1 . . . . . 231 GLN CB . 27977 1 1067 . 1 1 86 86 GLN CG C 13 33.618 0.3 . 1 . . . . . 231 GLN CG . 27977 1 1068 . 1 1 86 86 GLN N N 15 119.006 0.3 . 1 . . . . . 231 GLN N . 27977 1 1069 . 1 1 87 87 ASP H H 1 8.539 0.02 . 1 . . . . . 232 ASP H . 27977 1 1070 . 1 1 87 87 ASP HA H 1 4.354 0.02 . 1 . . . . . 232 ASP HA . 27977 1 1071 . 1 1 87 87 ASP HB2 H 1 2.655 0.02 . 1 . . . . . 232 ASP HB2 . 27977 1 1072 . 1 1 87 87 ASP HB3 H 1 2.655 0.02 . 1 . . . . . 232 ASP HB3 . 27977 1 1073 . 1 1 87 87 ASP C C 13 175.294 0.3 . 1 . . . . . 232 ASP C . 27977 1 1074 . 1 1 87 87 ASP CA C 13 55.155 0.3 . 1 . . . . . 232 ASP CA . 27977 1 1075 . 1 1 87 87 ASP CB C 13 40.409 0.3 . 1 . . . . . 232 ASP CB . 27977 1 1076 . 1 1 87 87 ASP N N 15 118.779 0.3 . 1 . . . . . 232 ASP N . 27977 1 1077 . 1 1 88 88 GLN H H 1 7.844 0.02 . 1 . . . . . 233 GLN H . 27977 1 1078 . 1 1 88 88 GLN HA H 1 4.33 0.02 . 1 . . . . . 233 GLN HA . 27977 1 1079 . 1 1 88 88 GLN HB2 H 1 1.938 0.02 . 1 . . . . . 233 GLN HB2 . 27977 1 1080 . 1 1 88 88 GLN HB3 H 1 1.938 0.02 . 1 . . . . . 233 GLN HB3 . 27977 1 1081 . 1 1 88 88 GLN HG2 H 1 2.181 0.02 . 1 . . . . . 233 GLN HG2 . 27977 1 1082 . 1 1 88 88 GLN HG3 H 1 2.181 0.02 . 1 . . . . . 233 GLN HG3 . 27977 1 1083 . 1 1 88 88 GLN C C 13 175.371 0.3 . 1 . . . . . 233 GLN C . 27977 1 1084 . 1 1 88 88 GLN CA C 13 55.302 0.3 . 1 . . . . . 233 GLN CA . 27977 1 1085 . 1 1 88 88 GLN CB C 13 29.183 0.3 . 1 . . . . . 233 GLN CB . 27977 1 1086 . 1 1 88 88 GLN CG C 13 31.995 0.3 . 1 . . . . . 233 GLN CG . 27977 1 1087 . 1 1 88 88 GLN N N 15 115.739 0.3 . 1 . . . . . 233 GLN N . 27977 1 1088 . 1 1 89 89 GLU H H 1 8.242 0.02 . 1 . . . . . 234 GLU H . 27977 1 1089 . 1 1 89 89 GLU HA H 1 4.154 0.02 . 1 . . . . . 234 GLU HA . 27977 1 1090 . 1 1 89 89 GLU HB2 H 1 1.857 0.02 . 1 . . . . . 234 GLU HB2 . 27977 1 1091 . 1 1 89 89 GLU HB3 H 1 1.857 0.02 . 1 . . . . . 234 GLU HB3 . 27977 1 1092 . 1 1 89 89 GLU HG2 H 1 2.167 0.02 . 1 . . . . . 234 GLU HG2 . 27977 1 1093 . 1 1 89 89 GLU HG3 H 1 2.167 0.02 . 1 . . . . . 234 GLU HG3 . 27977 1 1094 . 1 1 89 89 GLU C C 13 176.482 0.3 . 1 . . . . . 234 GLU C . 27977 1 1095 . 1 1 89 89 GLU CA C 13 56.982 0.3 . 1 . . . . . 234 GLU CA . 27977 1 1096 . 1 1 89 89 GLU CB C 13 30.404 0.3 . 1 . . . . . 234 GLU CB . 27977 1 1097 . 1 1 89 89 GLU CG C 13 36.389 0.3 . 1 . . . . . 234 GLU CG . 27977 1 1098 . 1 1 89 89 GLU N N 15 120.165 0.3 . 1 . . . . . 234 GLU N . 27977 1 1099 . 1 1 90 90 ASP H H 1 8.119 0.02 . 1 . . . . . 235 ASP H . 27977 1 1100 . 1 1 90 90 ASP HA H 1 4.772 0.02 . 1 . . . . . 235 ASP HA . 27977 1 1101 . 1 1 90 90 ASP HB2 H 1 2.355 0.02 . 2 . . . . . 235 ASP HB2 . 27977 1 1102 . 1 1 90 90 ASP HB3 H 1 2.561 0.02 . 2 . . . . . 235 ASP HB3 . 27977 1 1103 . 1 1 90 90 ASP C C 13 174.199 0.3 . 1 . . . . . 235 ASP C . 27977 1 1104 . 1 1 90 90 ASP CA C 13 52.705 0.3 . 1 . . . . . 235 ASP CA . 27977 1 1105 . 1 1 90 90 ASP CB C 13 40.18 0.3 . 1 . . . . . 235 ASP CB . 27977 1 1106 . 1 1 90 90 ASP N N 15 120.051 0.3 . 1 . . . . . 235 ASP N . 27977 1 1107 . 1 1 91 91 PRO HA H 1 4.356 0.02 . 1 . . . . . 236 PRO HA . 27977 1 1108 . 1 1 91 91 PRO HB2 H 1 1.586 0.02 . 2 . . . . . 236 PRO HB2 . 27977 1 1109 . 1 1 91 91 PRO HB3 H 1 1.943 0.02 . 2 . . . . . 236 PRO HB3 . 27977 1 1110 . 1 1 91 91 PRO HG2 H 1 1.854 0.02 . 2 . . . . . 236 PRO HG2 . 27977 1 1111 . 1 1 91 91 PRO HG3 H 1 1.883 0.02 . 2 . . . . . 236 PRO HG3 . 27977 1 1112 . 1 1 91 91 PRO HD2 H 1 3.523 0.02 . 2 . . . . . 236 PRO HD2 . 27977 1 1113 . 1 1 91 91 PRO HD3 H 1 3.777 0.02 . 2 . . . . . 236 PRO HD3 . 27977 1 1114 . 1 1 91 91 PRO C C 13 175.556 0.3 . 1 . . . . . 236 PRO C . 27977 1 1115 . 1 1 91 91 PRO CA C 13 62.805 0.3 . 1 . . . . . 236 PRO CA . 27977 1 1116 . 1 1 91 91 PRO CB C 13 32.543 0.3 . 1 . . . . . 236 PRO CB . 27977 1 1117 . 1 1 91 91 PRO CG C 13 27.157 0.3 . 1 . . . . . 236 PRO CG . 27977 1 1118 . 1 1 91 91 PRO CD C 13 50.278 0.3 . 1 . . . . . 236 PRO CD . 27977 1 1119 . 1 1 92 92 GLU H H 1 8.546 0.02 . 1 . . . . . 237 GLU H . 27977 1 1120 . 1 1 92 92 GLU HA H 1 4.426 0.02 . 1 . . . . . 237 GLU HA . 27977 1 1121 . 1 1 92 92 GLU HB2 H 1 1.724 0.02 . 2 . . . . . 237 GLU HB2 . 27977 1 1122 . 1 1 92 92 GLU HB3 H 1 1.91 0.02 . 2 . . . . . 237 GLU HB3 . 27977 1 1123 . 1 1 92 92 GLU HG2 H 1 2.013 0.02 . 1 . . . . . 237 GLU HG2 . 27977 1 1124 . 1 1 92 92 GLU HG3 H 1 2.013 0.02 . 1 . . . . . 237 GLU HG3 . 27977 1 1125 . 1 1 92 92 GLU C C 13 174.891 0.3 . 1 . . . . . 237 GLU C . 27977 1 1126 . 1 1 92 92 GLU CA C 13 54.689 0.3 . 1 . . . . . 237 GLU CA . 27977 1 1127 . 1 1 92 92 GLU CB C 13 33.688 0.3 . 1 . . . . . 237 GLU CB . 27977 1 1128 . 1 1 92 92 GLU CG C 13 36.663 0.3 . 1 . . . . . 237 GLU CG . 27977 1 1129 . 1 1 92 92 GLU N N 15 119.778 0.3 . 1 . . . . . 237 GLU N . 27977 1 1130 . 1 1 93 93 GLU HA H 1 4.776 0.02 . 1 . . . . . 238 GLU HA . 27977 1 1131 . 1 1 93 93 GLU HB2 H 1 1.465 0.02 . 2 . . . . . 238 GLU HB2 . 27977 1 1132 . 1 1 93 93 GLU HB3 H 1 1.652 0.02 . 2 . . . . . 238 GLU HB3 . 27977 1 1133 . 1 1 93 93 GLU HG2 H 1 1.766 0.02 . 2 . . . . . 238 GLU HG2 . 27977 1 1134 . 1 1 93 93 GLU HG3 H 1 2.068 0.02 . 2 . . . . . 238 GLU HG3 . 27977 1 1135 . 1 1 93 93 GLU C C 13 176.41 0.3 . 1 . . . . . 238 GLU C . 27977 1 1136 . 1 1 93 93 GLU CA C 13 55.913 0.3 . 1 . . . . . 238 GLU CA . 27977 1 1137 . 1 1 93 93 GLU CB C 13 32.161 0.3 . 1 . . . . . 238 GLU CB . 27977 1 1138 . 1 1 93 93 GLU CG C 13 37.282 0.3 . 1 . . . . . 238 GLU CG . 27977 1 1139 . 1 1 94 94 PHE H H 1 9.089 0.02 . 1 . . . . . 239 PHE H . 27977 1 1140 . 1 1 94 94 PHE HA H 1 4.998 0.02 . 1 . . . . . 239 PHE HA . 27977 1 1141 . 1 1 94 94 PHE HB2 H 1 2.444 0.02 . 1 . . . . . 239 PHE HB2 . 27977 1 1142 . 1 1 94 94 PHE HB3 H 1 2.444 0.02 . 1 . . . . . 239 PHE HB3 . 27977 1 1143 . 1 1 94 94 PHE HD1 H 1 6.847 0.02 . 1 . . . . . 239 PHE HD1 . 27977 1 1144 . 1 1 94 94 PHE HD2 H 1 6.847 0.02 . 1 . . . . . 239 PHE HD2 . 27977 1 1145 . 1 1 94 94 PHE HE1 H 1 7.192 0.02 . 1 . . . . . 239 PHE HE1 . 27977 1 1146 . 1 1 94 94 PHE HE2 H 1 7.192 0.02 . 1 . . . . . 239 PHE HE2 . 27977 1 1147 . 1 1 94 94 PHE HZ H 1 7.127 0.02 . 1 . . . . . 239 PHE HZ . 27977 1 1148 . 1 1 94 94 PHE C C 13 175.508 0.3 . 1 . . . . . 239 PHE C . 27977 1 1149 . 1 1 94 94 PHE CA C 13 56.174 0.3 . 1 . . . . . 239 PHE CA . 27977 1 1150 . 1 1 94 94 PHE CB C 13 43.77 0.3 . 1 . . . . . 239 PHE CB . 27977 1 1151 . 1 1 94 94 PHE CD1 C 13 131.747 0.3 . 1 . . . . . 239 PHE CD1 . 27977 1 1152 . 1 1 94 94 PHE CD2 C 13 131.747 0.3 . 1 . . . . . 239 PHE CD2 . 27977 1 1153 . 1 1 94 94 PHE CE1 C 13 131.507 0.3 . 1 . . . . . 239 PHE CE1 . 27977 1 1154 . 1 1 94 94 PHE CE2 C 13 131.507 0.3 . 1 . . . . . 239 PHE CE2 . 27977 1 1155 . 1 1 94 94 PHE CZ C 13 129.421 0.3 . 1 . . . . . 239 PHE CZ . 27977 1 1156 . 1 1 94 94 PHE N N 15 122.182 0.3 . 1 . . . . . 239 PHE N . 27977 1 1157 . 1 1 95 95 TYR H H 1 8.801 0.02 . 1 . . . . . 240 TYR H . 27977 1 1158 . 1 1 95 95 TYR HA H 1 5.254 0.02 . 1 . . . . . 240 TYR HA . 27977 1 1159 . 1 1 95 95 TYR HB2 H 1 2.062 0.02 . 2 . . . . . 240 TYR HB2 . 27977 1 1160 . 1 1 95 95 TYR HB3 H 1 2.682 0.02 . 2 . . . . . 240 TYR HB3 . 27977 1 1161 . 1 1 95 95 TYR HD1 H 1 6.203 0.02 . 1 . . . . . 240 TYR HD1 . 27977 1 1162 . 1 1 95 95 TYR HD2 H 1 6.203 0.02 . 1 . . . . . 240 TYR HD2 . 27977 1 1163 . 1 1 95 95 TYR HE1 H 1 6.433 0.02 . 1 . . . . . 240 TYR HE1 . 27977 1 1164 . 1 1 95 95 TYR HE2 H 1 6.433 0.02 . 1 . . . . . 240 TYR HE2 . 27977 1 1165 . 1 1 95 95 TYR C C 13 176.149 0.3 . 1 . . . . . 240 TYR C . 27977 1 1166 . 1 1 95 95 TYR CA C 13 57.665 0.3 . 1 . . . . . 240 TYR CA . 27977 1 1167 . 1 1 95 95 TYR CB C 13 39.636 0.3 . 1 . . . . . 240 TYR CB . 27977 1 1168 . 1 1 95 95 TYR CD1 C 13 131.507 0.3 . 1 . . . . . 240 TYR CD1 . 27977 1 1169 . 1 1 95 95 TYR CD2 C 13 131.507 0.3 . 1 . . . . . 240 TYR CD2 . 27977 1 1170 . 1 1 95 95 TYR CE1 C 13 117.33 0.3 . 1 . . . . . 240 TYR CE1 . 27977 1 1171 . 1 1 95 95 TYR CE2 C 13 117.33 0.3 . 1 . . . . . 240 TYR CE2 . 27977 1 1172 . 1 1 95 95 TYR N N 15 118.981 0.3 . 1 . . . . . 240 TYR N . 27977 1 1173 . 1 1 96 96 VAL H H 1 9.461 0.02 . 1 . . . . . 241 VAL H . 27977 1 1174 . 1 1 96 96 VAL HA H 1 5.316 0.02 . 1 . . . . . 241 VAL HA . 27977 1 1175 . 1 1 96 96 VAL HB H 1 1.972 0.02 . 1 . . . . . 241 VAL HB . 27977 1 1176 . 1 1 96 96 VAL HG21 H 1 0.816 0.02 . 1 . . . . . 241 VAL QG2 . 27977 1 1177 . 1 1 96 96 VAL HG22 H 1 0.816 0.02 . 1 . . . . . 241 VAL QG2 . 27977 1 1178 . 1 1 96 96 VAL HG23 H 1 0.816 0.02 . 1 . . . . . 241 VAL QG2 . 27977 1 1179 . 1 1 96 96 VAL C C 13 176.481 0.3 . 1 . . . . . 241 VAL C . 27977 1 1180 . 1 1 96 96 VAL CA C 13 59.864 0.3 . 1 . . . . . 241 VAL CA . 27977 1 1181 . 1 1 96 96 VAL CB C 13 34.834 0.3 . 1 . . . . . 241 VAL CB . 27977 1 1182 . 1 1 96 96 VAL CG1 C 13 21.329 0.3 . 1 . . . . . 241 VAL CG1 . 27977 1 1183 . 1 1 96 96 VAL CG2 C 13 21.033 0.3 . 1 . . . . . 241 VAL CG2 . 27977 1 1184 . 1 1 96 96 VAL N N 15 120.602 0.3 . 1 . . . . . 241 VAL N . 27977 1 1185 . 1 1 97 97 LEU H H 1 8.297 0.02 . 1 . . . . . 242 LEU H . 27977 1 1186 . 1 1 97 97 LEU HA H 1 3.659 0.02 . 1 . . . . . 242 LEU HA . 27977 1 1187 . 1 1 97 97 LEU HB2 H 1 0.753 0.02 . 2 . . . . . 242 LEU HB2 . 27977 1 1188 . 1 1 97 97 LEU HB3 H 1 1.427 0.02 . 2 . . . . . 242 LEU HB3 . 27977 1 1189 . 1 1 97 97 LEU HG H 1 1.331 0.02 . 1 . . . . . 242 LEU HG . 27977 1 1190 . 1 1 97 97 LEU HD11 H 1 0.441 0.02 . 1 . . . . . 242 LEU QD1 . 27977 1 1191 . 1 1 97 97 LEU HD12 H 1 0.441 0.02 . 1 . . . . . 242 LEU QD1 . 27977 1 1192 . 1 1 97 97 LEU HD13 H 1 0.441 0.02 . 1 . . . . . 242 LEU QD1 . 27977 1 1193 . 1 1 97 97 LEU HD21 H 1 0.076 0.02 . 1 . . . . . 242 LEU QD2 . 27977 1 1194 . 1 1 97 97 LEU HD22 H 1 0.076 0.02 . 1 . . . . . 242 LEU QD2 . 27977 1 1195 . 1 1 97 97 LEU HD23 H 1 0.076 0.02 . 1 . . . . . 242 LEU QD2 . 27977 1 1196 . 1 1 97 97 LEU C C 13 175.911 0.3 . 1 . . . . . 242 LEU C . 27977 1 1197 . 1 1 97 97 LEU CA C 13 55.056 0.3 . 1 . . . . . 242 LEU CA . 27977 1 1198 . 1 1 97 97 LEU CB C 13 42.624 0.3 . 1 . . . . . 242 LEU CB . 27977 1 1199 . 1 1 97 97 LEU CG C 13 25.683 0.3 . 1 . . . . . 242 LEU CG . 27977 1 1200 . 1 1 97 97 LEU CD1 C 13 26.052 0.3 . 1 . . . . . 242 LEU CD1 . 27977 1 1201 . 1 1 97 97 LEU CD2 C 13 22.184 0.3 . 1 . . . . . 242 LEU CD2 . 27977 1 1202 . 1 1 97 97 LEU N N 15 129.557 0.3 . 1 . . . . . 242 LEU N . 27977 1 1203 . 1 1 98 98 SER H H 1 8.243 0.02 . 1 . . . . . 243 SER H . 27977 1 1204 . 1 1 98 98 SER HA H 1 4.265 0.02 . 1 . . . . . 243 SER HA . 27977 1 1205 . 1 1 98 98 SER HB2 H 1 3.881 0.02 . 2 . . . . . 243 SER HB2 . 27977 1 1206 . 1 1 98 98 SER HB3 H 1 4.028 0.02 . 2 . . . . . 243 SER HB3 . 27977 1 1207 . 1 1 98 98 SER C C 13 174.769 0.3 . 1 . . . . . 243 SER C . 27977 1 1208 . 1 1 98 98 SER CA C 13 58.433 0.3 . 1 . . . . . 243 SER CA . 27977 1 1209 . 1 1 98 98 SER CB C 13 64.381 0.3 . 1 . . . . . 243 SER CB . 27977 1 1210 . 1 1 98 98 SER N N 15 121.42 0.3 . 1 . . . . . 243 SER N . 27977 1 1211 . 1 1 99 99 GLU H H 1 8.846 0.02 . 1 . . . . . 244 GLU H . 27977 1 1212 . 1 1 99 99 GLU HA H 1 3.932 0.02 . 1 . . . . . 244 GLU HA . 27977 1 1213 . 1 1 99 99 GLU HB2 H 1 1.977 0.02 . 1 . . . . . 244 GLU HB2 . 27977 1 1214 . 1 1 99 99 GLU HB3 H 1 1.977 0.02 . 1 . . . . . 244 GLU HB3 . 27977 1 1215 . 1 1 99 99 GLU HG2 H 1 2.257 0.02 . 1 . . . . . 244 GLU HG2 . 27977 1 1216 . 1 1 99 99 GLU HG3 H 1 2.257 0.02 . 1 . . . . . 244 GLU HG3 . 27977 1 1217 . 1 1 99 99 GLU C C 13 178.622 0.3 . 1 . . . . . 244 GLU C . 27977 1 1218 . 1 1 99 99 GLU CA C 13 58.738 0.3 . 1 . . . . . 244 GLU CA . 27977 1 1219 . 1 1 99 99 GLU CB C 13 29.259 0.3 . 1 . . . . . 244 GLU CB . 27977 1 1220 . 1 1 99 99 GLU CG C 13 36.389 0.3 . 1 . . . . . 244 GLU CG . 27977 1 1221 . 1 1 99 99 GLU N N 15 122.904 0.3 . 1 . . . . . 244 GLU N . 27977 1 1222 . 1 1 100 100 THR H H 1 7.92 0.02 . 1 . . . . . 245 THR H . 27977 1 1223 . 1 1 100 100 THR HA H 1 3.997 0.02 . 1 . . . . . 245 THR HA . 27977 1 1224 . 1 1 100 100 THR HB H 1 4.081 0.02 . 1 . . . . . 245 THR HB . 27977 1 1225 . 1 1 100 100 THR HG21 H 1 1.134 0.02 . 1 . . . . . 245 THR QG2 . 27977 1 1226 . 1 1 100 100 THR HG22 H 1 1.134 0.02 . 1 . . . . . 245 THR QG2 . 27977 1 1227 . 1 1 100 100 THR HG23 H 1 1.134 0.02 . 1 . . . . . 245 THR QG2 . 27977 1 1228 . 1 1 100 100 THR C C 13 176.482 0.3 . 1 . . . . . 245 THR C . 27977 1 1229 . 1 1 100 100 THR CA C 13 64.402 0.3 . 1 . . . . . 245 THR CA . 27977 1 1230 . 1 1 100 100 THR CB C 13 68.561 0.3 . 1 . . . . . 245 THR CB . 27977 1 1231 . 1 1 100 100 THR CG2 C 13 21.769 0.3 . 1 . . . . . 245 THR CG2 . 27977 1 1232 . 1 1 100 100 THR N N 15 112.775 0.3 . 1 . . . . . 245 THR N . 27977 1 1233 . 1 1 101 101 THR H H 1 7.549 0.02 . 1 . . . . . 246 THR H . 27977 1 1234 . 1 1 101 101 THR HA H 1 3.961 0.02 . 1 . . . . . 246 THR HA . 27977 1 1235 . 1 1 101 101 THR HB H 1 3.894 0.02 . 1 . . . . . 246 THR HB . 27977 1 1236 . 1 1 101 101 THR HG21 H 1 1.179 0.02 . 1 . . . . . 246 THR QG2 . 27977 1 1237 . 1 1 101 101 THR HG22 H 1 1.179 0.02 . 1 . . . . . 246 THR QG2 . 27977 1 1238 . 1 1 101 101 THR HG23 H 1 1.179 0.02 . 1 . . . . . 246 THR QG2 . 27977 1 1239 . 1 1 101 101 THR C C 13 176.078 0.3 . 1 . . . . . 246 THR C . 27977 1 1240 . 1 1 101 101 THR CA C 13 65.424 0.3 . 1 . . . . . 246 THR CA . 27977 1 1241 . 1 1 101 101 THR CB C 13 68.362 0.3 . 1 . . . . . 246 THR CB . 27977 1 1242 . 1 1 101 101 THR CG2 C 13 22.802 0.3 . 1 . . . . . 246 THR CG2 . 27977 1 1243 . 1 1 101 101 THR N N 15 118.498 0.3 . 1 . . . . . 246 THR N . 27977 1 1244 . 1 1 102 102 LEU H H 1 7.82 0.02 . 1 . . . . . 247 LEU H . 27977 1 1245 . 1 1 102 102 LEU HA H 1 3.87 0.02 . 1 . . . . . 247 LEU HA . 27977 1 1246 . 1 1 102 102 LEU HB2 H 1 1.48 0.02 . 2 . . . . . 247 LEU HB2 . 27977 1 1247 . 1 1 102 102 LEU HB3 H 1 1.571 0.02 . 2 . . . . . 247 LEU HB3 . 27977 1 1248 . 1 1 102 102 LEU C C 13 177.027 0.3 . 1 . . . . . 247 LEU C . 27977 1 1249 . 1 1 102 102 LEU CA C 13 56.753 0.3 . 1 . . . . . 247 LEU CA . 27977 1 1250 . 1 1 102 102 LEU CB C 13 41.708 0.3 . 1 . . . . . 247 LEU CB . 27977 1 1251 . 1 1 102 102 LEU CG C 13 26.735 0.3 . 1 . . . . . 247 LEU CG . 27977 1 1252 . 1 1 102 102 LEU CD1 C 13 24.399 0.3 . 1 . . . . . 247 LEU CD1 . 27977 1 1253 . 1 1 102 102 LEU CD2 C 13 24.033 0.3 . 1 . . . . . 247 LEU CD2 . 27977 1 1254 . 1 1 102 102 LEU N N 15 121.274 0.3 . 1 . . . . . 247 LEU N . 27977 1 1255 . 1 1 103 103 ALA H H 1 7.279 0.02 . 1 . . . . . 248 ALA H . 27977 1 1256 . 1 1 103 103 ALA HA H 1 4.179 0.02 . 1 . . . . . 248 ALA HA . 27977 1 1257 . 1 1 103 103 ALA HB1 H 1 1.389 0.02 . 1 . . . . . 248 ALA HB . 27977 1 1258 . 1 1 103 103 ALA HB2 H 1 1.389 0.02 . 1 . . . . . 248 ALA HB . 27977 1 1259 . 1 1 103 103 ALA HB3 H 1 1.389 0.02 . 1 . . . . . 248 ALA HB . 27977 1 1260 . 1 1 103 103 ALA C C 13 177.623 0.3 . 1 . . . . . 248 ALA C . 27977 1 1261 . 1 1 103 103 ALA CA C 13 52.99 0.3 . 1 . . . . . 248 ALA CA . 27977 1 1262 . 1 1 103 103 ALA CB C 13 18.795 0.3 . 1 . . . . . 248 ALA CB . 27977 1 1263 . 1 1 103 103 ALA N N 15 118.567 0.3 . 1 . . . . . 248 ALA N . 27977 1 1264 . 1 1 104 104 GLN H H 1 7.477 0.02 . 1 . . . . . 249 GLN H . 27977 1 1265 . 1 1 104 104 GLN HA H 1 4.722 0.02 . 1 . . . . . 249 GLN HA . 27977 1 1266 . 1 1 104 104 GLN HB2 H 1 1.932 0.02 . 2 . . . . . 249 GLN HB2 . 27977 1 1267 . 1 1 104 104 GLN HB3 H 1 2.096 0.02 . 2 . . . . . 249 GLN HB3 . 27977 1 1268 . 1 1 104 104 GLN HG2 H 1 2.338 0.02 . 1 . . . . . 249 GLN HG2 . 27977 1 1269 . 1 1 104 104 GLN HG3 H 1 2.338 0.02 . 1 . . . . . 249 GLN HG3 . 27977 1 1270 . 1 1 104 104 GLN C C 13 174.175 0.3 . 1 . . . . . 249 GLN C . 27977 1 1271 . 1 1 104 104 GLN CA C 13 53.313 0.3 . 1 . . . . . 249 GLN CA . 27977 1 1272 . 1 1 104 104 GLN CB C 13 28.8 0.3 . 1 . . . . . 249 GLN CB . 27977 1 1273 . 1 1 104 104 GLN CG C 13 33 0.3 . 1 . . . . . 249 GLN CG . 27977 1 1274 . 1 1 104 104 GLN N N 15 116.944 0.3 . 1 . . . . . 249 GLN N . 27977 1 1275 . 1 1 105 105 PRO HA H 1 4.247 0.02 . 1 . . . . . 250 PRO HA . 27977 1 1276 . 1 1 105 105 PRO HB2 H 1 1.988 0.02 . 2 . . . . . 250 PRO HB2 . 27977 1 1277 . 1 1 105 105 PRO HB3 H 1 2.186 0.02 . 2 . . . . . 250 PRO HB3 . 27977 1 1278 . 1 1 105 105 PRO HD2 H 1 3.619 0.02 . 1 . . . . . 250 PRO HD2 . 27977 1 1279 . 1 1 105 105 PRO HD3 H 1 3.619 0.02 . 1 . . . . . 250 PRO HD3 . 27977 1 1280 . 1 1 105 105 PRO C C 13 178.404 0.3 . 1 . . . . . 250 PRO C . 27977 1 1281 . 1 1 105 105 PRO CA C 13 65.274 0.3 . 1 . . . . . 250 PRO CA . 27977 1 1282 . 1 1 105 105 PRO CB C 13 31.439 0.3 . 1 . . . . . 250 PRO CB . 27977 1 1283 . 1 1 105 105 PRO CG C 13 27.343 0.3 . 1 . . . . . 250 PRO CG . 27977 1 1284 . 1 1 105 105 PRO CD C 13 50.12 0.3 . 1 . . . . . 250 PRO CD . 27977 1 1285 . 1 1 106 106 GLN H H 1 8.863 0.02 . 1 . . . . . 251 GLN H . 27977 1 1286 . 1 1 106 106 GLN HA H 1 4.125 0.02 . 1 . . . . . 251 GLN HA . 27977 1 1287 . 1 1 106 106 GLN HB2 H 1 2.022 0.02 . 1 . . . . . 251 GLN HB2 . 27977 1 1288 . 1 1 106 106 GLN HB3 H 1 2.022 0.02 . 1 . . . . . 251 GLN HB3 . 27977 1 1289 . 1 1 106 106 GLN HG2 H 1 2.363 0.02 . 1 . . . . . 251 GLN HG2 . 27977 1 1290 . 1 1 106 106 GLN HG3 H 1 2.363 0.02 . 1 . . . . . 251 GLN HG3 . 27977 1 1291 . 1 1 106 106 GLN C C 13 178.024 0.3 . 1 . . . . . 251 GLN C . 27977 1 1292 . 1 1 106 106 GLN CA C 13 58.148 0.3 . 1 . . . . . 251 GLN CA . 27977 1 1293 . 1 1 106 106 GLN CB C 13 27.426 0.3 . 1 . . . . . 251 GLN CB . 27977 1 1294 . 1 1 106 106 GLN CG C 13 33.881 0.3 . 1 . . . . . 251 GLN CG . 27977 1 1295 . 1 1 106 106 GLN N N 15 118.968 0.3 . 1 . . . . . 251 GLN N . 27977 1 1296 . 1 1 107 107 SER H H 1 7.942 0.02 . 1 . . . . . 252 SER H . 27977 1 1297 . 1 1 107 107 SER HA H 1 3.855 0.02 . 1 . . . . . 252 SER HA . 27977 1 1298 . 1 1 107 107 SER HB2 H 1 3.776 0.02 . 1 . . . . . 252 SER HB2 . 27977 1 1299 . 1 1 107 107 SER HB3 H 1 3.776 0.02 . 1 . . . . . 252 SER HB3 . 27977 1 1300 . 1 1 107 107 SER C C 13 175.221 0.3 . 1 . . . . . 252 SER C . 27977 1 1301 . 1 1 107 107 SER CA C 13 60.312 0.3 . 1 . . . . . 252 SER CA . 27977 1 1302 . 1 1 107 107 SER CB C 13 62.71 0.3 . 1 . . . . . 252 SER CB . 27977 1 1303 . 1 1 107 107 SER N N 15 116.411 0.3 . 1 . . . . . 252 SER N . 27977 1 1304 . 1 1 108 108 LEU H H 1 7.557 0.02 . 1 . . . . . 253 LEU H . 27977 1 1305 . 1 1 108 108 LEU HA H 1 4.057 0.02 . 1 . . . . . 253 LEU HA . 27977 1 1306 . 1 1 108 108 LEU HB2 H 1 1.585 0.02 . 2 . . . . . 253 LEU HB2 . 27977 1 1307 . 1 1 108 108 LEU HB3 H 1 1.799 0.02 . 2 . . . . . 253 LEU HB3 . 27977 1 1308 . 1 1 108 108 LEU HG H 1 1.698 0.02 . 1 . . . . . 253 LEU HG . 27977 1 1309 . 1 1 108 108 LEU HD11 H 1 0.934 0.02 . 1 . . . . . 253 LEU QD1 . 27977 1 1310 . 1 1 108 108 LEU HD12 H 1 0.934 0.02 . 1 . . . . . 253 LEU QD1 . 27977 1 1311 . 1 1 108 108 LEU HD13 H 1 0.934 0.02 . 1 . . . . . 253 LEU QD1 . 27977 1 1312 . 1 1 108 108 LEU HD21 H 1 0.9 0.02 . 1 . . . . . 253 LEU QD2 . 27977 1 1313 . 1 1 108 108 LEU HD22 H 1 0.9 0.02 . 1 . . . . . 253 LEU QD2 . 27977 1 1314 . 1 1 108 108 LEU HD23 H 1 0.9 0.02 . 1 . . . . . 253 LEU QD2 . 27977 1 1315 . 1 1 108 108 LEU C C 13 178.812 0.3 . 1 . . . . . 253 LEU C . 27977 1 1316 . 1 1 108 108 LEU CA C 13 57.812 0.3 . 1 . . . . . 253 LEU CA . 27977 1 1317 . 1 1 108 108 LEU CB C 13 42.176 0.3 . 1 . . . . . 253 LEU CB . 27977 1 1318 . 1 1 108 108 LEU CG C 13 27.011 0.3 . 1 . . . . . 253 LEU CG . 27977 1 1319 . 1 1 108 108 LEU CD1 C 13 25.679 0.3 . 1 . . . . . 253 LEU CD1 . 27977 1 1320 . 1 1 108 108 LEU CD2 C 13 24.24 0.3 . 1 . . . . . 253 LEU CD2 . 27977 1 1321 . 1 1 108 108 LEU N N 15 121.886 0.3 . 1 . . . . . 253 LEU N . 27977 1 1322 . 1 1 109 109 GLU H H 1 7.338 0.02 . 1 . . . . . 254 GLU H . 27977 1 1323 . 1 1 109 109 GLU HA H 1 3.826 0.02 . 1 . . . . . 254 GLU HA . 27977 1 1324 . 1 1 109 109 GLU HB2 H 1 1.586 0.02 . 2 . . . . . 254 GLU HB2 . 27977 1 1325 . 1 1 109 109 GLU HB3 H 1 1.77 0.02 . 2 . . . . . 254 GLU HB3 . 27977 1 1326 . 1 1 109 109 GLU HG2 H 1 1.884 0.02 . 1 . . . . . 254 GLU HG2 . 27977 1 1327 . 1 1 109 109 GLU HG3 H 1 1.884 0.02 . 1 . . . . . 254 GLU HG3 . 27977 1 1328 . 1 1 109 109 GLU C C 13 178.551 0.3 . 1 . . . . . 254 GLU C . 27977 1 1329 . 1 1 109 109 GLU CA C 13 58.815 0.3 . 1 . . . . . 254 GLU CA . 27977 1 1330 . 1 1 109 109 GLU CB C 13 29.488 0.3 . 1 . . . . . 254 GLU CB . 27977 1 1331 . 1 1 109 109 GLU CG C 13 35.814 0.3 . 1 . . . . . 254 GLU CG . 27977 1 1332 . 1 1 109 109 GLU N N 15 117.793 0.3 . 1 . . . . . 254 GLU N . 27977 1 1333 . 1 1 110 110 ARG H H 1 7.39 0.02 . 1 . . . . . 255 ARG H . 27977 1 1334 . 1 1 110 110 ARG HA H 1 3.995 0.02 . 1 . . . . . 255 ARG HA . 27977 1 1335 . 1 1 110 110 ARG HB2 H 1 1.673 0.02 . 1 . . . . . 255 ARG HB2 . 27977 1 1336 . 1 1 110 110 ARG HB3 H 1 1.673 0.02 . 1 . . . . . 255 ARG HB3 . 27977 1 1337 . 1 1 110 110 ARG HG2 H 1 1.51 0.02 . 1 . . . . . 255 ARG HG2 . 27977 1 1338 . 1 1 110 110 ARG HG3 H 1 1.51 0.02 . 1 . . . . . 255 ARG HG3 . 27977 1 1339 . 1 1 110 110 ARG HD2 H 1 3.027 0.02 . 2 . . . . . 255 ARG HD2 . 27977 1 1340 . 1 1 110 110 ARG HD3 H 1 3.086 0.02 . 2 . . . . . 255 ARG HD3 . 27977 1 1341 . 1 1 110 110 ARG C C 13 179.55 0.3 . 1 . . . . . 255 ARG C . 27977 1 1342 . 1 1 110 110 ARG CA C 13 58.663 0.3 . 1 . . . . . 255 ARG CA . 27977 1 1343 . 1 1 110 110 ARG CB C 13 29.413 0.3 . 1 . . . . . 255 ARG CB . 27977 1 1344 . 1 1 110 110 ARG CG C 13 26.963 0.3 . 1 . . . . . 255 ARG CG . 27977 1 1345 . 1 1 110 110 ARG CD C 13 43.126 0.3 . 1 . . . . . 255 ARG CD . 27977 1 1346 . 1 1 110 110 ARG N N 15 118.906 0.3 . 1 . . . . . 255 ARG N . 27977 1 1347 . 1 1 111 111 HIS H H 1 8.004 0.02 . 1 . . . . . 256 HIS H . 27977 1 1348 . 1 1 111 111 HIS HA H 1 4.605 0.02 . 1 . . . . . 256 HIS HA . 27977 1 1349 . 1 1 111 111 HIS HB2 H 1 2.876 0.02 . 2 . . . . . 256 HIS HB2 . 27977 1 1350 . 1 1 111 111 HIS HB3 H 1 3.073 0.02 . 2 . . . . . 256 HIS HB3 . 27977 1 1351 . 1 1 111 111 HIS HE1 H 1 7.79 0.02 . 1 . . . . . 256 HIS HE1 . 27977 1 1352 . 1 1 111 111 HIS C C 13 177.481 0.3 . 1 . . . . . 256 HIS C . 27977 1 1353 . 1 1 111 111 HIS CA C 13 58.043 0.3 . 1 . . . . . 256 HIS CA . 27977 1 1354 . 1 1 111 111 HIS CB C 13 29.938 0.3 . 1 . . . . . 256 HIS CB . 27977 1 1355 . 1 1 111 111 HIS CE1 C 13 137.844 0.3 . 1 . . . . . 256 HIS CE1 . 27977 1 1356 . 1 1 111 111 HIS N N 15 119.159 0.3 . 1 . . . . . 256 HIS N . 27977 1 1357 . 1 1 112 112 LYS H H 1 8.309 0.02 . 1 . . . . . 257 LYS H . 27977 1 1358 . 1 1 112 112 LYS HA H 1 3.658 0.02 . 1 . . . . . 257 LYS HA . 27977 1 1359 . 1 1 112 112 LYS HB2 H 1 2.078 0.02 . 1 . . . . . 257 LYS HB2 . 27977 1 1360 . 1 1 112 112 LYS HB3 H 1 2.078 0.02 . 1 . . . . . 257 LYS HB3 . 27977 1 1361 . 1 1 112 112 LYS HG2 H 1 1.446 0.02 . 1 . . . . . 257 LYS HG2 . 27977 1 1362 . 1 1 112 112 LYS HG3 H 1 1.446 0.02 . 1 . . . . . 257 LYS HG3 . 27977 1 1363 . 1 1 112 112 LYS HD2 H 1 1.828 0.02 . 1 . . . . . 257 LYS HD2 . 27977 1 1364 . 1 1 112 112 LYS HD3 H 1 1.828 0.02 . 1 . . . . . 257 LYS HD3 . 27977 1 1365 . 1 1 112 112 LYS HE2 H 1 2.713 0.02 . 2 . . . . . 257 LYS HE2 . 27977 1 1366 . 1 1 112 112 LYS HE3 H 1 2.805 0.02 . 2 . . . . . 257 LYS HE3 . 27977 1 1367 . 1 1 112 112 LYS C C 13 177.692 0.3 . 1 . . . . . 257 LYS C . 27977 1 1368 . 1 1 112 112 LYS CA C 13 60.114 0.3 . 1 . . . . . 257 LYS CA . 27977 1 1369 . 1 1 112 112 LYS CB C 13 31.55 0.3 . 1 . . . . . 257 LYS CB . 27977 1 1370 . 1 1 112 112 LYS CG C 13 24.302 0.3 . 1 . . . . . 257 LYS CG . 27977 1 1371 . 1 1 112 112 LYS CD C 13 28.559 0.3 . 1 . . . . . 257 LYS CD . 27977 1 1372 . 1 1 112 112 LYS CE C 13 41.156 0.3 . 1 . . . . . 257 LYS CE . 27977 1 1373 . 1 1 112 112 LYS N N 15 120.52 0.3 . 1 . . . . . 257 LYS N . 27977 1 1374 . 1 1 113 113 GLU H H 1 8.001 0.02 . 1 . . . . . 258 GLU H . 27977 1 1375 . 1 1 113 113 GLU HA H 1 3.822 0.02 . 1 . . . . . 258 GLU HA . 27977 1 1376 . 1 1 113 113 GLU HB2 H 1 1.976 0.02 . 2 . . . . . 258 GLU HB2 . 27977 1 1377 . 1 1 113 113 GLU HB3 H 1 2.111 0.02 . 2 . . . . . 258 GLU HB3 . 27977 1 1378 . 1 1 113 113 GLU HG2 H 1 2.376 0.02 . 1 . . . . . 258 GLU HG2 . 27977 1 1379 . 1 1 113 113 GLU HG3 H 1 2.376 0.02 . 1 . . . . . 258 GLU HG3 . 27977 1 1380 . 1 1 113 113 GLU C C 13 179.74 0.3 . 1 . . . . . 258 GLU C . 27977 1 1381 . 1 1 113 113 GLU CA C 13 59.207 0.3 . 1 . . . . . 258 GLU CA . 27977 1 1382 . 1 1 113 113 GLU CB C 13 28.953 0.3 . 1 . . . . . 258 GLU CB . 27977 1 1383 . 1 1 113 113 GLU CG C 13 36.136 0.3 . 1 . . . . . 258 GLU CG . 27977 1 1384 . 1 1 113 113 GLU N N 15 117.116 0.3 . 1 . . . . . 258 GLU N . 27977 1 1385 . 1 1 114 114 GLN H H 1 8.148 0.02 . 1 . . . . . 259 GLN H . 27977 1 1386 . 1 1 114 114 GLN HA H 1 3.92 0.02 . 1 . . . . . 259 GLN HA . 27977 1 1387 . 1 1 114 114 GLN HB2 H 1 1.993 0.02 . 2 . . . . . 259 GLN HB2 . 27977 1 1388 . 1 1 114 114 GLN HB3 H 1 2.202 0.02 . 2 . . . . . 259 GLN HB3 . 27977 1 1389 . 1 1 114 114 GLN HG2 H 1 2.467 0.02 . 1 . . . . . 259 GLN HG2 . 27977 1 1390 . 1 1 114 114 GLN HG3 H 1 2.467 0.02 . 1 . . . . . 259 GLN HG3 . 27977 1 1391 . 1 1 114 114 GLN HE21 H 1 6.797 0.02 . 1 . . . . . 259 GLN HE21 . 27977 1 1392 . 1 1 114 114 GLN HE22 H 1 7.494 0.02 . 1 . . . . . 259 GLN HE22 . 27977 1 1393 . 1 1 114 114 GLN C C 13 178.598 0.3 . 1 . . . . . 259 GLN C . 27977 1 1394 . 1 1 114 114 GLN CA C 13 58.885 0.3 . 1 . . . . . 259 GLN CA . 27977 1 1395 . 1 1 114 114 GLN CB C 13 28.513 0.3 . 1 . . . . . 259 GLN CB . 27977 1 1396 . 1 1 114 114 GLN CG C 13 34.131 0.3 . 1 . . . . . 259 GLN CG . 27977 1 1397 . 1 1 114 114 GLN N N 15 119.573 0.3 . 1 . . . . . 259 GLN N . 27977 1 1398 . 1 1 114 114 GLN NE2 N 15 109.317 0.3 . 1 . . . . . 259 GLN NE2 . 27977 1 1399 . 1 1 115 115 LEU H H 1 8 0.02 . 1 . . . . . 260 LEU H . 27977 1 1400 . 1 1 115 115 LEU HA H 1 3.88 0.02 . 1 . . . . . 260 LEU HA . 27977 1 1401 . 1 1 115 115 LEU HB2 H 1 1.332 0.02 . 2 . . . . . 260 LEU HB2 . 27977 1 1402 . 1 1 115 115 LEU HB3 H 1 2.065 0.02 . 2 . . . . . 260 LEU HB3 . 27977 1 1403 . 1 1 115 115 LEU HG H 1 1.331 0.02 . 1 . . . . . 260 LEU HG . 27977 1 1404 . 1 1 115 115 LEU HD11 H 1 0.411 0.02 . 1 . . . . . 260 LEU QD1 . 27977 1 1405 . 1 1 115 115 LEU HD12 H 1 0.411 0.02 . 1 . . . . . 260 LEU QD1 . 27977 1 1406 . 1 1 115 115 LEU HD13 H 1 0.411 0.02 . 1 . . . . . 260 LEU QD1 . 27977 1 1407 . 1 1 115 115 LEU HD21 H 1 0.204 0.02 . 1 . . . . . 260 LEU QD2 . 27977 1 1408 . 1 1 115 115 LEU HD22 H 1 0.204 0.02 . 1 . . . . . 260 LEU QD2 . 27977 1 1409 . 1 1 115 115 LEU HD23 H 1 0.204 0.02 . 1 . . . . . 260 LEU QD2 . 27977 1 1410 . 1 1 115 115 LEU C C 13 178.143 0.3 . 1 . . . . . 260 LEU C . 27977 1 1411 . 1 1 115 115 LEU CA C 13 58.01 0.3 . 1 . . . . . 260 LEU CA . 27977 1 1412 . 1 1 115 115 LEU CB C 13 41.097 0.3 . 1 . . . . . 260 LEU CB . 27977 1 1413 . 1 1 115 115 LEU CG C 13 26.353 0.3 . 1 . . . . . 260 LEU CG . 27977 1 1414 . 1 1 115 115 LEU CD1 C 13 25.876 0.3 . 1 . . . . . 260 LEU CD1 . 27977 1 1415 . 1 1 115 115 LEU CD2 C 13 22.937 0.3 . 1 . . . . . 260 LEU CD2 . 27977 1 1416 . 1 1 115 115 LEU N N 15 121.268 0.3 . 1 . . . . . 260 LEU N . 27977 1 1417 . 1 1 116 116 LEU H H 1 7.731 0.02 . 1 . . . . . 261 LEU H . 27977 1 1418 . 1 1 116 116 LEU HA H 1 3.895 0.02 . 1 . . . . . 261 LEU HA . 27977 1 1419 . 1 1 116 116 LEU HB2 H 1 1.425 0.02 . 2 . . . . . 261 LEU HB2 . 27977 1 1420 . 1 1 116 116 LEU HB3 H 1 1.683 0.02 . 2 . . . . . 261 LEU HB3 . 27977 1 1421 . 1 1 116 116 LEU HG H 1 1.655 0.02 . 1 . . . . . 261 LEU HG . 27977 1 1422 . 1 1 116 116 LEU HD11 H 1 0.731 0.02 . 1 . . . . . 261 LEU QD1 . 27977 1 1423 . 1 1 116 116 LEU HD12 H 1 0.731 0.02 . 1 . . . . . 261 LEU QD1 . 27977 1 1424 . 1 1 116 116 LEU HD13 H 1 0.731 0.02 . 1 . . . . . 261 LEU QD1 . 27977 1 1425 . 1 1 116 116 LEU HD21 H 1 0.672 0.02 . 1 . . . . . 261 LEU QD2 . 27977 1 1426 . 1 1 116 116 LEU HD22 H 1 0.672 0.02 . 1 . . . . . 261 LEU QD2 . 27977 1 1427 . 1 1 116 116 LEU HD23 H 1 0.672 0.02 . 1 . . . . . 261 LEU QD2 . 27977 1 1428 . 1 1 116 116 LEU C C 13 177.79 0.3 . 1 . . . . . 261 LEU C . 27977 1 1429 . 1 1 116 116 LEU CA C 13 56.294 0.3 . 1 . . . . . 261 LEU CA . 27977 1 1430 . 1 1 116 116 LEU CB C 13 42.04 0.3 . 1 . . . . . 261 LEU CB . 27977 1 1431 . 1 1 116 116 LEU CG C 13 26.887 0.3 . 1 . . . . . 261 LEU CG . 27977 1 1432 . 1 1 116 116 LEU CD1 C 13 25.519 0.3 . 1 . . . . . 261 LEU CD1 . 27977 1 1433 . 1 1 116 116 LEU CD2 C 13 22.402 0.3 . 1 . . . . . 261 LEU CD2 . 27977 1 1434 . 1 1 116 116 LEU N N 15 117.362 0.3 . 1 . . . . . 261 LEU N . 27977 1 1435 . 1 1 117 117 ALA H H 1 7.624 0.02 . 1 . . . . . 262 ALA H . 27977 1 1436 . 1 1 117 117 ALA HA H 1 4.095 0.02 . 1 . . . . . 262 ALA HA . 27977 1 1437 . 1 1 117 117 ALA HB1 H 1 1.291 0.02 . 1 . . . . . 262 ALA HB . 27977 1 1438 . 1 1 117 117 ALA HB2 H 1 1.291 0.02 . 1 . . . . . 262 ALA HB . 27977 1 1439 . 1 1 117 117 ALA HB3 H 1 1.291 0.02 . 1 . . . . . 262 ALA HB . 27977 1 1440 . 1 1 117 117 ALA C C 13 177.17 0.3 . 1 . . . . . 262 ALA C . 27977 1 1441 . 1 1 117 117 ALA CA C 13 52.898 0.3 . 1 . . . . . 262 ALA CA . 27977 1 1442 . 1 1 117 117 ALA CB C 13 18.49 0.3 . 1 . . . . . 262 ALA CB . 27977 1 1443 . 1 1 117 117 ALA N N 15 121.003 0.3 . 1 . . . . . 262 ALA N . 27977 1 1444 . 1 1 118 118 ALA H H 1 7.228 0.02 . 1 . . . . . 263 ALA H . 27977 1 1445 . 1 1 118 118 ALA HA H 1 3.748 0.02 . 1 . . . . . 263 ALA HA . 27977 1 1446 . 1 1 118 118 ALA HB1 H 1 0.841 0.02 . 1 . . . . . 263 ALA HB . 27977 1 1447 . 1 1 118 118 ALA HB2 H 1 0.841 0.02 . 1 . . . . . 263 ALA HB . 27977 1 1448 . 1 1 118 118 ALA HB3 H 1 0.841 0.02 . 1 . . . . . 263 ALA HB . 27977 1 1449 . 1 1 118 118 ALA C C 13 175.673 0.3 . 1 . . . . . 263 ALA C . 27977 1 1450 . 1 1 118 118 ALA CA C 13 52.53 0.3 . 1 . . . . . 263 ALA CA . 27977 1 1451 . 1 1 118 118 ALA CB C 13 18.464 0.3 . 1 . . . . . 263 ALA CB . 27977 1 1452 . 1 1 118 118 ALA N N 15 120.49 0.3 . 1 . . . . . 263 ALA N . 27977 1 1453 . 1 1 119 119 GLU H H 1 7.286 0.02 . 1 . . . . . 264 GLU H . 27977 1 1454 . 1 1 119 119 GLU HA H 1 3.754 0.02 . 1 . . . . . 264 GLU HA . 27977 1 1455 . 1 1 119 119 GLU HB2 H 1 1.739 0.02 . 2 . . . . . 264 GLU HB2 . 27977 1 1456 . 1 1 119 119 GLU HB3 H 1 1.824 0.02 . 2 . . . . . 264 GLU HB3 . 27977 1 1457 . 1 1 119 119 GLU HG2 H 1 2.033 0.02 . 1 . . . . . 264 GLU HG2 . 27977 1 1458 . 1 1 119 119 GLU HG3 H 1 2.033 0.02 . 1 . . . . . 264 GLU HG3 . 27977 1 1459 . 1 1 119 119 GLU C C 13 180.762 0.3 . 1 . . . . . 264 GLU C . 27977 1 1460 . 1 1 119 119 GLU CA C 13 57.802 0.3 . 1 . . . . . 264 GLU CA . 27977 1 1461 . 1 1 119 119 GLU CB C 13 31.015 0.3 . 1 . . . . . 264 GLU CB . 27977 1 1462 . 1 1 119 119 GLU CG C 13 36.111 0.3 . 1 . . . . . 264 GLU CG . 27977 1 1463 . 1 1 119 119 GLU N N 15 122.897 0.3 . 1 . . . . . 264 GLU N . 27977 1 stop_ save_