data_6380 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6380 _Entry.Title ; 1H, 13C, and 15N Chemical Shift Assignments for pig prion protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2004-11-09 _Entry.Accession_date 2004-11-09 _Entry.Last_release_date 2004-11-09 _Entry.Original_release_date 2004-11-09 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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 Christian Schorn . . . . 6380 2 Dominikus Lysek . A. . . 6380 3 Kurt Wuthrich . . . . 6380 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6380 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 307 6380 '15N chemical shifts' 123 6380 '1H chemical shifts' 716 6380 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2004-12-23 . original author 'original release' 6380 1 . . 2005-01-13 . update author 'update of the citation' 6380 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6380 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15647367 _Citation.Full_citation . _Citation.Title ; Prion protein NMR structures of cats, dogs, pigs, and sheep ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U.S.A.' _Citation.Journal_name_full . _Citation.Journal_volume 102 _Citation.Journal_issue 3 _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 640 _Citation.Page_last 645 _Citation.Year 2005 _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 Dominikus Lysek . A. . . 6380 1 2 Christian Schorn . . . . 6380 1 3 Lucas Nivon . G. . . 6380 1 4 Vicent Esteve-Moya . . . . 6380 1 5 Barbara Christen . . . . 6380 1 6 Luigi Calzolai . . . . 6380 1 7 Christine 'von Schroetter' . . . . 6380 1 8 Francesco Fiorito . . . . 6380 1 9 Torsten Herrmann . . . . 6380 1 10 Peter Guntert . . . . 6380 1 11 Kurt Wuthrich . . . . 6380 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6380 _Assembly.ID 1 _Assembly.Name 'pig prion protein monomer' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all disulfide bound' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 6380 1 stop_ 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 'pig prion protein monomer' 1 $scPrP . . yes native . . . . . 6380 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 61 61 SG . 1 . 1 CYS 96 96 SG . . . . . . . . . . . . 6380 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'pig prion protein monomer' abbreviation 6380 1 'pig prion protein monomer' system 6380 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_scPrP _Entity.Sf_category entity _Entity.Sf_framecode scPrP _Entity.Entry_ID 6380 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'pig prion protein' _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 ; GSVVGGLGGYMLGSAMSRPL IHFGSDYEDRYYRENMYRYP NQVYYRPVDQYSNQNSFVHD CVNITVKQHTVTTTTKGENF TETDVKMIERVVEQMCITQY QKEYEAYAQRGAS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 113 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date 2010-09-18 _Entity.DB_query_revised_last_date 2010-03-13 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1XYQ . 'Nmr Structure Of The Pig Prion Protein' . . . . . 98.23 111 100.00 100.00 1.17e-59 . . . . 6380 1 2 no GB AAA92862 . 'prion protein [Sus scrofa]' . . . . . 100.00 257 99.12 100.00 9.33e-62 . . . . 6380 1 3 no GB AAV83492 . 'prion protein [Sus scrofa]' . . . . . 100.00 257 99.12 100.00 9.33e-62 . . . . 6380 1 4 no GB AAV83493 . 'prion protein [Sus scrofa]' . . . . . 100.00 257 99.12 100.00 9.89e-62 . . . . 6380 1 5 no GB AAV83494 . 'prion protein [Sus scrofa]' . . . . . 100.00 257 99.12 100.00 9.89e-62 . . . . 6380 1 6 no GB AAV83495 . 'prion protein [Sus scrofa]' . . . . . 100.00 257 99.12 100.00 9.33e-62 . . . . 6380 1 7 no REF NP_001008687 . 'major prion protein precursor [Sus scrofa]' . . . . . 100.00 257 99.12 100.00 9.33e-62 . . . . 6380 1 8 no SP P49927 . 'RecName: Full=Major prion protein; Short=PrP; AltName: CD_antigen=CD230; Flags: Precursor' . . . . . 100.00 257 99.12 100.00 9.33e-62 . . . . 6380 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'pig prion protein' abbreviation 6380 1 'pig prion protein' common 6380 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 1 119 GLY . 6380 1 2 120 SER . 6380 1 3 121 VAL . 6380 1 4 122 VAL . 6380 1 5 123 GLY . 6380 1 6 124 GLY . 6380 1 7 125 LEU . 6380 1 8 126 GLY . 6380 1 9 127 GLY . 6380 1 10 128 TYR . 6380 1 11 129 MET . 6380 1 12 130 LEU . 6380 1 13 131 GLY . 6380 1 14 132 SER . 6380 1 15 133 ALA . 6380 1 16 134 MET . 6380 1 17 135 SER . 6380 1 18 136 ARG . 6380 1 19 137 PRO . 6380 1 20 138 LEU . 6380 1 21 139 ILE . 6380 1 22 140 HIS . 6380 1 23 141 PHE . 6380 1 24 142 GLY . 6380 1 25 143 SER . 6380 1 26 144 ASP . 6380 1 27 145 TYR . 6380 1 28 146 GLU . 6380 1 29 147 ASP . 6380 1 30 148 ARG . 6380 1 31 149 TYR . 6380 1 32 150 TYR . 6380 1 33 151 ARG . 6380 1 34 152 GLU . 6380 1 35 153 ASN . 6380 1 36 154 MET . 6380 1 37 155 TYR . 6380 1 38 156 ARG . 6380 1 39 157 TYR . 6380 1 40 158 PRO . 6380 1 41 159 ASN . 6380 1 42 160 GLN . 6380 1 43 161 VAL . 6380 1 44 162 TYR . 6380 1 45 163 TYR . 6380 1 46 164 ARG . 6380 1 47 165 PRO . 6380 1 48 166 VAL . 6380 1 49 167 ASP . 6380 1 50 168 GLN . 6380 1 51 169 TYR . 6380 1 52 170 SER . 6380 1 53 171 ASN . 6380 1 54 172 GLN . 6380 1 55 173 ASN . 6380 1 56 174 SER . 6380 1 57 175 PHE . 6380 1 58 176 VAL . 6380 1 59 177 HIS . 6380 1 60 178 ASP . 6380 1 61 179 CYS . 6380 1 62 180 VAL . 6380 1 63 181 ASN . 6380 1 64 182 ILE . 6380 1 65 183 THR . 6380 1 66 184 VAL . 6380 1 67 185 LYS . 6380 1 68 186 GLN . 6380 1 69 187 HIS . 6380 1 70 188 THR . 6380 1 71 189 VAL . 6380 1 72 190 THR . 6380 1 73 191 THR . 6380 1 74 192 THR . 6380 1 75 193 THR . 6380 1 76 194 LYS . 6380 1 77 195 GLY . 6380 1 78 196 GLU . 6380 1 79 197 ASN . 6380 1 80 198 PHE . 6380 1 81 199 THR . 6380 1 82 200 GLU . 6380 1 83 201 THR . 6380 1 84 202 ASP . 6380 1 85 203 VAL . 6380 1 86 204 LYS . 6380 1 87 205 MET . 6380 1 88 206 ILE . 6380 1 89 207 GLU . 6380 1 90 208 ARG . 6380 1 91 209 VAL . 6380 1 92 210 VAL . 6380 1 93 211 GLU . 6380 1 94 212 GLN . 6380 1 95 213 MET . 6380 1 96 214 CYS . 6380 1 97 215 ILE . 6380 1 98 216 THR . 6380 1 99 217 GLN . 6380 1 100 218 TYR . 6380 1 101 219 GLN . 6380 1 102 220 LYS . 6380 1 103 221 GLU . 6380 1 104 222 TYR . 6380 1 105 223 GLU . 6380 1 106 224 ALA . 6380 1 107 225 TYR . 6380 1 108 226 ALA . 6380 1 109 227 GLN . 6380 1 110 228 ARG . 6380 1 111 229 GLY . 6380 1 112 230 ALA . 6380 1 113 231 SER . 6380 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 6380 1 . SER 2 2 6380 1 . VAL 3 3 6380 1 . VAL 4 4 6380 1 . GLY 5 5 6380 1 . GLY 6 6 6380 1 . LEU 7 7 6380 1 . GLY 8 8 6380 1 . GLY 9 9 6380 1 . TYR 10 10 6380 1 . MET 11 11 6380 1 . LEU 12 12 6380 1 . GLY 13 13 6380 1 . SER 14 14 6380 1 . ALA 15 15 6380 1 . MET 16 16 6380 1 . SER 17 17 6380 1 . ARG 18 18 6380 1 . PRO 19 19 6380 1 . LEU 20 20 6380 1 . ILE 21 21 6380 1 . HIS 22 22 6380 1 . PHE 23 23 6380 1 . GLY 24 24 6380 1 . SER 25 25 6380 1 . ASP 26 26 6380 1 . TYR 27 27 6380 1 . GLU 28 28 6380 1 . ASP 29 29 6380 1 . ARG 30 30 6380 1 . TYR 31 31 6380 1 . TYR 32 32 6380 1 . ARG 33 33 6380 1 . GLU 34 34 6380 1 . ASN 35 35 6380 1 . MET 36 36 6380 1 . TYR 37 37 6380 1 . ARG 38 38 6380 1 . TYR 39 39 6380 1 . PRO 40 40 6380 1 . ASN 41 41 6380 1 . GLN 42 42 6380 1 . VAL 43 43 6380 1 . TYR 44 44 6380 1 . TYR 45 45 6380 1 . ARG 46 46 6380 1 . PRO 47 47 6380 1 . VAL 48 48 6380 1 . ASP 49 49 6380 1 . GLN 50 50 6380 1 . TYR 51 51 6380 1 . SER 52 52 6380 1 . ASN 53 53 6380 1 . GLN 54 54 6380 1 . ASN 55 55 6380 1 . SER 56 56 6380 1 . PHE 57 57 6380 1 . VAL 58 58 6380 1 . HIS 59 59 6380 1 . ASP 60 60 6380 1 . CYS 61 61 6380 1 . VAL 62 62 6380 1 . ASN 63 63 6380 1 . ILE 64 64 6380 1 . THR 65 65 6380 1 . VAL 66 66 6380 1 . LYS 67 67 6380 1 . GLN 68 68 6380 1 . HIS 69 69 6380 1 . THR 70 70 6380 1 . VAL 71 71 6380 1 . THR 72 72 6380 1 . THR 73 73 6380 1 . THR 74 74 6380 1 . THR 75 75 6380 1 . LYS 76 76 6380 1 . GLY 77 77 6380 1 . GLU 78 78 6380 1 . ASN 79 79 6380 1 . PHE 80 80 6380 1 . THR 81 81 6380 1 . GLU 82 82 6380 1 . THR 83 83 6380 1 . ASP 84 84 6380 1 . VAL 85 85 6380 1 . LYS 86 86 6380 1 . MET 87 87 6380 1 . ILE 88 88 6380 1 . GLU 89 89 6380 1 . ARG 90 90 6380 1 . VAL 91 91 6380 1 . VAL 92 92 6380 1 . GLU 93 93 6380 1 . GLN 94 94 6380 1 . MET 95 95 6380 1 . CYS 96 96 6380 1 . ILE 97 97 6380 1 . THR 98 98 6380 1 . GLN 99 99 6380 1 . TYR 100 100 6380 1 . GLN 101 101 6380 1 . LYS 102 102 6380 1 . GLU 103 103 6380 1 . TYR 104 104 6380 1 . GLU 105 105 6380 1 . ALA 106 106 6380 1 . TYR 107 107 6380 1 . ALA 108 108 6380 1 . GLN 109 109 6380 1 . ARG 110 110 6380 1 . GLY 111 111 6380 1 . ALA 112 112 6380 1 . SER 113 113 6380 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 6380 _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 $scPrP . 9823 organism . 'Sus scrofa' Pig . . Eukaryota Metazoa Sus scrofa . . . . . . . . . . . . . 6380 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 6380 _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 $scPrP . 'recombinant technology' 'Eschericia coli' 'E. coli' . . Eschericia coli BL21 . . . . . . . . . 6380 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6380 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'pig prion protein' '[U-13C; U-15N]' . . 1 $scPrP . . 1 . . mM . . . . 6380 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 6380 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 4.5 0.05 pH 6380 1 temperature 293 0.5 K 6380 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer _NMR_spectrometer.Entry_ID 6380 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6380 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer Bruker DRX . 750 . . . 6380 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 6380 _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 HNCA . . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer . . . . . . . . . . . . . . . . 6380 1 2 '15N edited NOESY' . . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer . . . . . . . . . . . . . . . . 6380 1 3 '13C edited NOESY' . . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer . . . . . . . . . . . . . . . . 6380 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 6380 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.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 0.0 . indirect 0.251449530 . . . . . 6380 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . 6380 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . 6380 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 6380 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err . _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 HNCA 1 $sample_1 . 6380 1 2 '15N edited NOESY' 1 $sample_1 . 6380 1 3 '13C edited NOESY' 1 $sample_1 . 6380 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 1 1 GLY CA C 13 43.0 0.1 . 1 . . . . . . . . . 6380 1 2 . 1 1 1 1 GLY HA2 H 1 3.89 0.01 . 1 . . . . . . . . . 6380 1 3 . 1 1 1 1 GLY HA3 H 1 3.89 0.01 . 1 . . . . . . . . . 6380 1 4 . 1 1 2 2 SER N N 15 116.0 0.1 . 1 . . . . . . . . . 6380 1 5 . 1 1 2 2 SER H H 1 8.65 0.01 . 1 . . . . . . . . . 6380 1 6 . 1 1 2 2 SER CA C 13 57.8 0.1 . 1 . . . . . . . . . 6380 1 7 . 1 1 2 2 SER HA H 1 4.57 0.01 . 1 . . . . . . . . . 6380 1 8 . 1 1 2 2 SER CB C 13 63.7 0.1 . 1 . . . . . . . . . 6380 1 9 . 1 1 2 2 SER HB2 H 1 3.81 0.01 . 1 . . . . . . . . . 6380 1 10 . 1 1 2 2 SER HB3 H 1 3.81 0.01 . 1 . . . . . . . . . 6380 1 11 . 1 1 3 3 VAL N N 15 122.3 0.1 . 1 . . . . . . . . . 6380 1 12 . 1 1 3 3 VAL H H 1 8.37 0.01 . 1 . . . . . . . . . 6380 1 13 . 1 1 3 3 VAL CA C 13 62.0 0.1 . 1 . . . . . . . . . 6380 1 14 . 1 1 3 3 VAL HA H 1 4.17 0.01 . 1 . . . . . . . . . 6380 1 15 . 1 1 3 3 VAL CB C 13 32.2 0.1 . 1 . . . . . . . . . 6380 1 16 . 1 1 3 3 VAL HB H 1 2.04 0.01 . 1 . . . . . . . . . 6380 1 17 . 1 1 3 3 VAL HG11 H 1 0.91 0.01 . 2 . . . . . . . . . 6380 1 18 . 1 1 3 3 VAL HG12 H 1 0.91 0.01 . 2 . . . . . . . . . 6380 1 19 . 1 1 3 3 VAL HG13 H 1 0.91 0.01 . 2 . . . . . . . . . 6380 1 20 . 1 1 3 3 VAL HG21 H 1 0.73 0.01 . 2 . . . . . . . . . 6380 1 21 . 1 1 3 3 VAL HG22 H 1 0.73 0.01 . 2 . . . . . . . . . 6380 1 22 . 1 1 3 3 VAL HG23 H 1 0.73 0.01 . 2 . . . . . . . . . 6380 1 23 . 1 1 3 3 VAL CG1 C 13 20.5 0.1 . 1 . . . . . . . . . 6380 1 24 . 1 1 3 3 VAL CG2 C 13 20.5 0.1 . 1 . . . . . . . . . 6380 1 25 . 1 1 4 4 VAL N N 15 125.1 0.1 . 1 . . . . . . . . . 6380 1 26 . 1 1 4 4 VAL H H 1 8.30 0.01 . 1 . . . . . . . . . 6380 1 27 . 1 1 4 4 VAL CA C 13 61.9 0.1 . 1 . . . . . . . . . 6380 1 28 . 1 1 4 4 VAL HA H 1 4.07 0.01 . 1 . . . . . . . . . 6380 1 29 . 1 1 4 4 VAL CB C 13 32.4 0.1 . 1 . . . . . . . . . 6380 1 30 . 1 1 4 4 VAL HB H 1 2.02 0.01 . 1 . . . . . . . . . 6380 1 31 . 1 1 4 4 VAL HG11 H 1 0.72 0.01 . 2 . . . . . . . . . 6380 1 32 . 1 1 4 4 VAL HG12 H 1 0.72 0.01 . 2 . . . . . . . . . 6380 1 33 . 1 1 4 4 VAL HG13 H 1 0.72 0.01 . 2 . . . . . . . . . 6380 1 34 . 1 1 4 4 VAL HG21 H 1 0.90 0.01 . 2 . . . . . . . . . 6380 1 35 . 1 1 4 4 VAL HG22 H 1 0.90 0.01 . 2 . . . . . . . . . 6380 1 36 . 1 1 4 4 VAL HG23 H 1 0.90 0.01 . 2 . . . . . . . . . 6380 1 37 . 1 1 4 4 VAL CG1 C 13 20.9 0.1 . 1 . . . . . . . . . 6380 1 38 . 1 1 4 4 VAL CG2 C 13 20.5 0.1 . 1 . . . . . . . . . 6380 1 39 . 1 1 5 5 GLY N N 15 113.7 0.1 . 1 . . . . . . . . . 6380 1 40 . 1 1 5 5 GLY H H 1 8.57 0.01 . 1 . . . . . . . . . 6380 1 41 . 1 1 5 5 GLY CA C 13 45.2 0.1 . 1 . . . . . . . . . 6380 1 42 . 1 1 5 5 GLY HA2 H 1 3.92 0.01 . 1 . . . . . . . . . 6380 1 43 . 1 1 5 5 GLY HA3 H 1 3.92 0.01 . 1 . . . . . . . . . 6380 1 44 . 1 1 6 6 GLY N N 15 108.9 0.1 . 1 . . . . . . . . . 6380 1 45 . 1 1 6 6 GLY H H 1 8.29 0.01 . 1 . . . . . . . . . 6380 1 46 . 1 1 6 6 GLY CA C 13 45.0 0.1 . 1 . . . . . . . . . 6380 1 47 . 1 1 6 6 GLY HA2 H 1 3.93 0.01 . 1 . . . . . . . . . 6380 1 48 . 1 1 6 6 GLY HA3 H 1 3.93 0.01 . 1 . . . . . . . . . 6380 1 49 . 1 1 7 7 LEU N N 15 122.1 0.1 . 1 . . . . . . . . . 6380 1 50 . 1 1 7 7 LEU H H 1 8.23 0.01 . 1 . . . . . . . . . 6380 1 51 . 1 1 7 7 LEU CA C 13 54.2 0.1 . 1 . . . . . . . . . 6380 1 52 . 1 1 7 7 LEU HA H 1 4.34 0.01 . 1 . . . . . . . . . 6380 1 53 . 1 1 7 7 LEU CB C 13 41.8 0.1 . 1 . . . . . . . . . 6380 1 54 . 1 1 7 7 LEU HB2 H 1 1.52 0.01 . 2 . . . . . . . . . 6380 1 55 . 1 1 7 7 LEU HB3 H 1 1.58 0.01 . 2 . . . . . . . . . 6380 1 56 . 1 1 7 7 LEU CG C 13 26.7 0.1 . 1 . . . . . . . . . 6380 1 57 . 1 1 7 7 LEU HG H 1 1.47 0.01 . 1 . . . . . . . . . 6380 1 58 . 1 1 7 7 LEU HD11 H 1 0.65 0.01 . 2 . . . . . . . . . 6380 1 59 . 1 1 7 7 LEU HD12 H 1 0.65 0.01 . 2 . . . . . . . . . 6380 1 60 . 1 1 7 7 LEU HD13 H 1 0.65 0.01 . 2 . . . . . . . . . 6380 1 61 . 1 1 7 7 LEU HD21 H 1 0.54 0.01 . 2 . . . . . . . . . 6380 1 62 . 1 1 7 7 LEU HD22 H 1 0.54 0.01 . 2 . . . . . . . . . 6380 1 63 . 1 1 7 7 LEU HD23 H 1 0.54 0.01 . 2 . . . . . . . . . 6380 1 64 . 1 1 7 7 LEU CD1 C 13 24.0 0.1 . 1 . . . . . . . . . 6380 1 65 . 1 1 7 7 LEU CD2 C 13 22.8 0.1 . 1 . . . . . . . . . 6380 1 66 . 1 1 8 8 GLY N N 15 110.2 0.1 . 1 . . . . . . . . . 6380 1 67 . 1 1 8 8 GLY H H 1 8.55 0.01 . 1 . . . . . . . . . 6380 1 68 . 1 1 8 8 GLY CA C 13 46.0 0.1 . 1 . . . . . . . . . 6380 1 69 . 1 1 8 8 GLY HA2 H 1 3.86 0.01 . 2 . . . . . . . . . 6380 1 70 . 1 1 8 8 GLY HA3 H 1 3.89 0.01 . 2 . . . . . . . . . 6380 1 71 . 1 1 9 9 GLY N N 15 109.5 0.1 . 1 . . . . . . . . . 6380 1 72 . 1 1 9 9 GLY H H 1 8.38 0.01 . 1 . . . . . . . . . 6380 1 73 . 1 1 9 9 GLY CA C 13 44.8 0.1 . 1 . . . . . . . . . 6380 1 74 . 1 1 9 9 GLY HA2 H 1 3.75 0.01 . 2 . . . . . . . . . 6380 1 75 . 1 1 9 9 GLY HA3 H 1 3.89 0.01 . 2 . . . . . . . . . 6380 1 76 . 1 1 10 10 TYR N N 15 117.8 0.1 . 1 . . . . . . . . . 6380 1 77 . 1 1 10 10 TYR H H 1 7.75 0.01 . 1 . . . . . . . . . 6380 1 78 . 1 1 10 10 TYR CA C 13 57.8 0.1 . 1 . . . . . . . . . 6380 1 79 . 1 1 10 10 TYR HA H 1 4.42 0.01 . 1 . . . . . . . . . 6380 1 80 . 1 1 10 10 TYR CB C 13 40.1 0.1 . 1 . . . . . . . . . 6380 1 81 . 1 1 10 10 TYR HB2 H 1 2.79 0.01 . 2 . . . . . . . . . 6380 1 82 . 1 1 10 10 TYR HB3 H 1 2.89 0.01 . 2 . . . . . . . . . 6380 1 83 . 1 1 10 10 TYR CD1 C 13 132.2 0.1 . 1 . . . . . . . . . 6380 1 84 . 1 1 10 10 TYR HD1 H 1 6.76 0.01 . 1 . . . . . . . . . 6380 1 85 . 1 1 10 10 TYR CE1 C 13 118.8 0.1 . 1 . . . . . . . . . 6380 1 86 . 1 1 10 10 TYR HE1 H 1 6.61 0.01 . 1 . . . . . . . . . 6380 1 87 . 1 1 11 11 MET N N 15 121.4 0.1 . 1 . . . . . . . . . 6380 1 88 . 1 1 11 11 MET H H 1 9.06 0.01 . 1 . . . . . . . . . 6380 1 89 . 1 1 11 11 MET CA C 13 53.1 0.1 . 1 . . . . . . . . . 6380 1 90 . 1 1 11 11 MET HA H 1 4.51 0.01 . 1 . . . . . . . . . 6380 1 91 . 1 1 11 11 MET CB C 13 34.1 0.1 . 1 . . . . . . . . . 6380 1 92 . 1 1 11 11 MET HB2 H 1 1.00 0.01 . 2 . . . . . . . . . 6380 1 93 . 1 1 11 11 MET HB3 H 1 1.55 0.01 . 2 . . . . . . . . . 6380 1 94 . 1 1 11 11 MET CG C 13 31.8 0.1 . 1 . . . . . . . . . 6380 1 95 . 1 1 11 11 MET HG2 H 1 2.19 0.01 . 1 . . . . . . . . . 6380 1 96 . 1 1 11 11 MET HG3 H 1 2.19 0.01 . 1 . . . . . . . . . 6380 1 97 . 1 1 11 11 MET HE1 H 1 1.92 0.01 . 1 . . . . . . . . . 6380 1 98 . 1 1 11 11 MET HE2 H 1 1.92 0.01 . 1 . . . . . . . . . 6380 1 99 . 1 1 11 11 MET HE3 H 1 1.92 0.01 . 1 . . . . . . . . . 6380 1 100 . 1 1 11 11 MET CE C 13 16.9 0.1 . 1 . . . . . . . . . 6380 1 101 . 1 1 12 12 LEU N N 15 121.7 0.1 . 1 . . . . . . . . . 6380 1 102 . 1 1 12 12 LEU H H 1 8.09 0.01 . 1 . . . . . . . . . 6380 1 103 . 1 1 12 12 LEU CA C 13 52.6 0.1 . 1 . . . . . . . . . 6380 1 104 . 1 1 12 12 LEU HA H 1 4.41 0.01 . 1 . . . . . . . . . 6380 1 105 . 1 1 12 12 LEU CB C 13 42.8 0.1 . 1 . . . . . . . . . 6380 1 106 . 1 1 12 12 LEU HB2 H 1 0.94 0.01 . 2 . . . . . . . . . 6380 1 107 . 1 1 12 12 LEU HB3 H 1 1.60 0.01 . 2 . . . . . . . . . 6380 1 108 . 1 1 12 12 LEU CG C 13 25.7 0.1 . 1 . . . . . . . . . 6380 1 109 . 1 1 12 12 LEU HG H 1 1.38 0.01 . 1 . . . . . . . . . 6380 1 110 . 1 1 12 12 LEU HD11 H 1 -0.07 0.01 . 2 . . . . . . . . . 6380 1 111 . 1 1 12 12 LEU HD12 H 1 -0.07 0.01 . 2 . . . . . . . . . 6380 1 112 . 1 1 12 12 LEU HD13 H 1 -0.07 0.01 . 2 . . . . . . . . . 6380 1 113 . 1 1 12 12 LEU HD21 H 1 0.62 0.01 . 2 . . . . . . . . . 6380 1 114 . 1 1 12 12 LEU HD22 H 1 0.62 0.01 . 2 . . . . . . . . . 6380 1 115 . 1 1 12 12 LEU HD23 H 1 0.62 0.01 . 2 . . . . . . . . . 6380 1 116 . 1 1 12 12 LEU CD1 C 13 21.0 0.1 . 1 . . . . . . . . . 6380 1 117 . 1 1 12 12 LEU CD2 C 13 25.5 0.1 . 1 . . . . . . . . . 6380 1 118 . 1 1 13 13 GLY N N 15 115.6 0.1 . 1 . . . . . . . . . 6380 1 119 . 1 1 13 13 GLY H H 1 9.34 0.01 . 1 . . . . . . . . . 6380 1 120 . 1 1 13 13 GLY CA C 13 44.6 0.1 . 1 . . . . . . . . . 6380 1 121 . 1 1 13 13 GLY HA2 H 1 4.09 0.01 . 2 . . . . . . . . . 6380 1 122 . 1 1 13 13 GLY HA3 H 1 4.42 0.01 . 2 . . . . . . . . . 6380 1 123 . 1 1 14 14 SER N N 15 113.9 0.1 . 1 . . . . . . . . . 6380 1 124 . 1 1 14 14 SER H H 1 8.29 0.01 . 1 . . . . . . . . . 6380 1 125 . 1 1 14 14 SER CA C 13 58.2 0.1 . 1 . . . . . . . . . 6380 1 126 . 1 1 14 14 SER HA H 1 4.38 0.01 . 1 . . . . . . . . . 6380 1 127 . 1 1 14 14 SER CB C 13 63.4 0.1 . 1 . . . . . . . . . 6380 1 128 . 1 1 14 14 SER HB2 H 1 3.96 0.01 . 2 . . . . . . . . . 6380 1 129 . 1 1 14 14 SER HB3 H 1 3.89 0.01 . 2 . . . . . . . . . 6380 1 130 . 1 1 15 15 ALA N N 15 125.9 0.1 . 1 . . . . . . . . . 6380 1 131 . 1 1 15 15 ALA H H 1 8.73 0.01 . 1 . . . . . . . . . 6380 1 132 . 1 1 15 15 ALA CA C 13 52.4 0.1 . 1 . . . . . . . . . 6380 1 133 . 1 1 15 15 ALA HA H 1 4.41 0.01 . 1 . . . . . . . . . 6380 1 134 . 1 1 15 15 ALA HB1 H 1 1.24 0.01 . 1 . . . . . . . . . 6380 1 135 . 1 1 15 15 ALA HB2 H 1 1.24 0.01 . 1 . . . . . . . . . 6380 1 136 . 1 1 15 15 ALA HB3 H 1 1.24 0.01 . 1 . . . . . . . . . 6380 1 137 . 1 1 15 15 ALA CB C 13 18.2 0.1 . 1 . . . . . . . . . 6380 1 138 . 1 1 16 16 MET N N 15 121.6 0.1 . 1 . . . . . . . . . 6380 1 139 . 1 1 16 16 MET H H 1 8.82 0.01 . 1 . . . . . . . . . 6380 1 140 . 1 1 16 16 MET CA C 13 53.6 0.1 . 1 . . . . . . . . . 6380 1 141 . 1 1 16 16 MET HA H 1 4.73 0.01 . 1 . . . . . . . . . 6380 1 142 . 1 1 16 16 MET HB2 H 1 1.99 0.01 . 1 . . . . . . . . . 6380 1 143 . 1 1 16 16 MET HB3 H 1 1.99 0.01 . 1 . . . . . . . . . 6380 1 144 . 1 1 16 16 MET HG2 H 1 2.52 0.01 . 2 . . . . . . . . . 6380 1 145 . 1 1 16 16 MET HG3 H 1 2.40 0.01 . 2 . . . . . . . . . 6380 1 146 . 1 1 16 16 MET HE1 H 1 2.18 0.01 . 1 . . . . . . . . . 6380 1 147 . 1 1 16 16 MET HE2 H 1 2.18 0.01 . 1 . . . . . . . . . 6380 1 148 . 1 1 16 16 MET HE3 H 1 2.18 0.01 . 1 . . . . . . . . . 6380 1 149 . 1 1 16 16 MET CE C 13 17.4 0.1 . 1 . . . . . . . . . 6380 1 150 . 1 1 17 17 SER N N 15 116.0 0.1 . 1 . . . . . . . . . 6380 1 151 . 1 1 17 17 SER H H 1 8.43 0.01 . 1 . . . . . . . . . 6380 1 152 . 1 1 17 17 SER CA C 13 58.7 0.1 . 1 . . . . . . . . . 6380 1 153 . 1 1 17 17 SER HA H 1 4.29 0.01 . 1 . . . . . . . . . 6380 1 154 . 1 1 17 17 SER CB C 13 62.9 0.1 . 1 . . . . . . . . . 6380 1 155 . 1 1 17 17 SER HB2 H 1 3.81 0.01 . 2 . . . . . . . . . 6380 1 156 . 1 1 17 17 SER HB3 H 1 3.73 0.01 . 2 . . . . . . . . . 6380 1 157 . 1 1 18 18 ARG N N 15 126.8 0.1 . 1 . . . . . . . . . 6380 1 158 . 1 1 18 18 ARG H H 1 8.69 0.01 . 1 . . . . . . . . . 6380 1 159 . 1 1 18 18 ARG CA C 13 54.2 0.1 . 1 . . . . . . . . . 6380 1 160 . 1 1 18 18 ARG HA H 1 4.37 0.01 . 1 . . . . . . . . . 6380 1 161 . 1 1 18 18 ARG CB C 13 28.5 0.1 . 1 . . . . . . . . . 6380 1 162 . 1 1 18 18 ARG HB2 H 1 1.59 0.01 . 1 . . . . . . . . . 6380 1 163 . 1 1 18 18 ARG HB3 H 1 1.59 0.01 . 1 . . . . . . . . . 6380 1 164 . 1 1 18 18 ARG CG C 13 28.9 0.1 . 1 . . . . . . . . . 6380 1 165 . 1 1 18 18 ARG HG2 H 1 1.82 0.01 . 2 . . . . . . . . . 6380 1 166 . 1 1 18 18 ARG HG3 H 1 1.84 0.01 . 2 . . . . . . . . . 6380 1 167 . 1 1 18 18 ARG CD C 13 43.9 0.1 . 1 . . . . . . . . . 6380 1 168 . 1 1 18 18 ARG HD2 H 1 3.05 0.01 . 2 . . . . . . . . . 6380 1 169 . 1 1 18 18 ARG HD3 H 1 2.95 0.01 . 2 . . . . . . . . . 6380 1 170 . 1 1 18 18 ARG NE N 15 86.3 0.1 . 1 . . . . . . . . . 6380 1 171 . 1 1 18 18 ARG HE H 1 6.71 0.01 . 1 . . . . . . . . . 6380 1 172 . 1 1 19 19 PRO CD C 13 50.0 0.1 . 1 . . . . . . . . . 6380 1 173 . 1 1 19 19 PRO CA C 13 61.7 0.1 . 1 . . . . . . . . . 6380 1 174 . 1 1 19 19 PRO HA H 1 4.33 0.01 . 1 . . . . . . . . . 6380 1 175 . 1 1 19 19 PRO CB C 13 32.2 0.1 . 1 . . . . . . . . . 6380 1 176 . 1 1 19 19 PRO HB2 H 1 1.78 0.01 . 2 . . . . . . . . . 6380 1 177 . 1 1 19 19 PRO HB3 H 1 2.24 0.01 . 2 . . . . . . . . . 6380 1 178 . 1 1 19 19 PRO CG C 13 27.2 0.1 . 1 . . . . . . . . . 6380 1 179 . 1 1 19 19 PRO HG2 H 1 2.26 0.01 . 2 . . . . . . . . . 6380 1 180 . 1 1 19 19 PRO HG3 H 1 2.00 0.01 . 2 . . . . . . . . . 6380 1 181 . 1 1 19 19 PRO HD2 H 1 3.64 0.01 . 2 . . . . . . . . . 6380 1 182 . 1 1 19 19 PRO HD3 H 1 3.88 0.01 . 2 . . . . . . . . . 6380 1 183 . 1 1 20 20 LEU N N 15 124.1 0.1 . 1 . . . . . . . . . 6380 1 184 . 1 1 20 20 LEU H H 1 8.67 0.01 . 1 . . . . . . . . . 6380 1 185 . 1 1 20 20 LEU CA C 13 53.8 0.1 . 1 . . . . . . . . . 6380 1 186 . 1 1 20 20 LEU HA H 1 4.51 0.01 . 1 . . . . . . . . . 6380 1 187 . 1 1 20 20 LEU CB C 13 40.2 0.1 . 1 . . . . . . . . . 6380 1 188 . 1 1 20 20 LEU HB2 H 1 1.64 0.01 . 2 . . . . . . . . . 6380 1 189 . 1 1 20 20 LEU HB3 H 1 1.50 0.01 . 2 . . . . . . . . . 6380 1 190 . 1 1 20 20 LEU CG C 13 27.1 0.1 . 1 . . . . . . . . . 6380 1 191 . 1 1 20 20 LEU HG H 1 1.57 0.01 . 1 . . . . . . . . . 6380 1 192 . 1 1 20 20 LEU HD21 H 1 0.89 0.01 . 2 . . . . . . . . . 6380 1 193 . 1 1 20 20 LEU HD22 H 1 0.89 0.01 . 2 . . . . . . . . . 6380 1 194 . 1 1 20 20 LEU HD23 H 1 0.89 0.01 . 2 . . . . . . . . . 6380 1 195 . 1 1 21 21 ILE N N 15 123.7 0.1 . 1 . . . . . . . . . 6380 1 196 . 1 1 21 21 ILE H H 1 6.39 0.01 . 1 . . . . . . . . . 6380 1 197 . 1 1 21 21 ILE CA C 13 59.2 0.1 . 1 . . . . . . . . . 6380 1 198 . 1 1 21 21 ILE HA H 1 3.79 0.01 . 1 . . . . . . . . . 6380 1 199 . 1 1 21 21 ILE CB C 13 39.0 0.1 . 1 . . . . . . . . . 6380 1 200 . 1 1 21 21 ILE HB H 1 0.76 0.01 . 1 . . . . . . . . . 6380 1 201 . 1 1 21 21 ILE HG21 H 1 -0.12 0.01 . 1 . . . . . . . . . 6380 1 202 . 1 1 21 21 ILE HG22 H 1 -0.12 0.01 . 1 . . . . . . . . . 6380 1 203 . 1 1 21 21 ILE HG23 H 1 -0.12 0.01 . 1 . . . . . . . . . 6380 1 204 . 1 1 21 21 ILE CG2 C 13 16.7 0.1 . 1 . . . . . . . . . 6380 1 205 . 1 1 21 21 ILE CG1 C 13 26.5 0.1 . 1 . . . . . . . . . 6380 1 206 . 1 1 21 21 ILE HG12 H 1 0.94 0.01 . 2 . . . . . . . . . 6380 1 207 . 1 1 21 21 ILE HG13 H 1 0.70 0.01 . 2 . . . . . . . . . 6380 1 208 . 1 1 21 21 ILE HD11 H 1 0.46 0.01 . 1 . . . . . . . . . 6380 1 209 . 1 1 21 21 ILE HD12 H 1 0.46 0.01 . 1 . . . . . . . . . 6380 1 210 . 1 1 21 21 ILE HD13 H 1 0.46 0.01 . 1 . . . . . . . . . 6380 1 211 . 1 1 21 21 ILE CD1 C 13 12.4 0.1 . 1 . . . . . . . . . 6380 1 212 . 1 1 22 22 HIS N N 15 122.3 0.1 . 1 . . . . . . . . . 6380 1 213 . 1 1 22 22 HIS H H 1 8.21 0.01 . 1 . . . . . . . . . 6380 1 214 . 1 1 22 22 HIS CA C 13 53.8 0.1 . 1 . . . . . . . . . 6380 1 215 . 1 1 22 22 HIS HA H 1 4.92 0.01 . 1 . . . . . . . . . 6380 1 216 . 1 1 22 22 HIS CB C 13 29.2 0.1 . 1 . . . . . . . . . 6380 1 217 . 1 1 22 22 HIS HB2 H 1 2.93 0.01 . 2 . . . . . . . . . 6380 1 218 . 1 1 22 22 HIS HB3 H 1 3.26 0.01 . 2 . . . . . . . . . 6380 1 219 . 1 1 22 22 HIS CD2 C 13 119.8 0.1 . 1 . . . . . . . . . 6380 1 220 . 1 1 22 22 HIS CE1 C 13 137.5 0.1 . 1 . . . . . . . . . 6380 1 221 . 1 1 22 22 HIS HD2 H 1 7.10 0.01 . 1 . . . . . . . . . 6380 1 222 . 1 1 22 22 HIS HE1 H 1 8.03 0.01 . 1 . . . . . . . . . 6380 1 223 . 1 1 23 23 PHE N N 15 124.3 0.1 . 1 . . . . . . . . . 6380 1 224 . 1 1 23 23 PHE H H 1 10.29 0.01 . 1 . . . . . . . . . 6380 1 225 . 1 1 23 23 PHE CA C 13 58.9 0.1 . 1 . . . . . . . . . 6380 1 226 . 1 1 23 23 PHE HA H 1 4.32 0.01 . 1 . . . . . . . . . 6380 1 227 . 1 1 23 23 PHE CB C 13 41.2 0.1 . 1 . . . . . . . . . 6380 1 228 . 1 1 23 23 PHE HB2 H 1 3.29 0.01 . 2 . . . . . . . . . 6380 1 229 . 1 1 23 23 PHE HB3 H 1 2.74 0.01 . 2 . . . . . . . . . 6380 1 230 . 1 1 23 23 PHE CD1 C 13 131.8 0.1 . 1 . . . . . . . . . 6380 1 231 . 1 1 23 23 PHE HD1 H 1 7.17 0.01 . 1 . . . . . . . . . 6380 1 232 . 1 1 23 23 PHE CE1 C 13 133.6 0.1 . 1 . . . . . . . . . 6380 1 233 . 1 1 23 23 PHE HE1 H 1 6.81 0.01 . 1 . . . . . . . . . 6380 1 234 . 1 1 23 23 PHE CZ C 13 132.6 0.1 . 1 . . . . . . . . . 6380 1 235 . 1 1 23 23 PHE HZ H 1 6.71 0.01 . 1 . . . . . . . . . 6380 1 236 . 1 1 24 24 GLY N N 15 108.8 0.1 . 1 . . . . . . . . . 6380 1 237 . 1 1 24 24 GLY H H 1 8.96 0.01 . 1 . . . . . . . . . 6380 1 238 . 1 1 24 24 GLY CA C 13 45.5 0.1 . 1 . . . . . . . . . 6380 1 239 . 1 1 24 24 GLY HA2 H 1 3.79 0.01 . 2 . . . . . . . . . 6380 1 240 . 1 1 24 24 GLY HA3 H 1 4.14 0.01 . 2 . . . . . . . . . 6380 1 241 . 1 1 25 25 SER N N 15 112.0 0.1 . 1 . . . . . . . . . 6380 1 242 . 1 1 25 25 SER H H 1 7.27 0.01 . 1 . . . . . . . . . 6380 1 243 . 1 1 25 25 SER CA C 13 56.3 0.1 . 1 . . . . . . . . . 6380 1 244 . 1 1 25 25 SER HA H 1 4.78 0.01 . 1 . . . . . . . . . 6380 1 245 . 1 1 25 25 SER CB C 13 65.5 0.1 . 1 . . . . . . . . . 6380 1 246 . 1 1 25 25 SER HB2 H 1 4.13 0.01 . 2 . . . . . . . . . 6380 1 247 . 1 1 25 25 SER HB3 H 1 3.88 0.01 . 2 . . . . . . . . . 6380 1 248 . 1 1 26 26 ASP N N 15 124.8 0.1 . 1 . . . . . . . . . 6380 1 249 . 1 1 26 26 ASP H H 1 9.07 0.01 . 1 . . . . . . . . . 6380 1 250 . 1 1 26 26 ASP CA C 13 57.1 0.1 . 1 . . . . . . . . . 6380 1 251 . 1 1 26 26 ASP HA H 1 4.47 0.01 . 1 . . . . . . . . . 6380 1 252 . 1 1 26 26 ASP CB C 13 40.3 0.1 . 1 . . . . . . . . . 6380 1 253 . 1 1 26 26 ASP HB2 H 1 2.74 0.01 . 1 . . . . . . . . . 6380 1 254 . 1 1 26 26 ASP HB3 H 1 2.74 0.01 . 1 . . . . . . . . . 6380 1 255 . 1 1 27 27 TYR N N 15 119.2 0.1 . 1 . . . . . . . . . 6380 1 256 . 1 1 27 27 TYR H H 1 8.59 0.01 . 1 . . . . . . . . . 6380 1 257 . 1 1 27 27 TYR CA C 13 61.2 0.1 . 1 . . . . . . . . . 6380 1 258 . 1 1 27 27 TYR HA H 1 4.16 0.01 . 1 . . . . . . . . . 6380 1 259 . 1 1 27 27 TYR CB C 13 37.9 0.1 . 1 . . . . . . . . . 6380 1 260 . 1 1 27 27 TYR HB2 H 1 3.50 0.01 . 2 . . . . . . . . . 6380 1 261 . 1 1 27 27 TYR HB3 H 1 3.23 0.01 . 2 . . . . . . . . . 6380 1 262 . 1 1 27 27 TYR CD1 C 13 133.6 0.1 . 1 . . . . . . . . . 6380 1 263 . 1 1 27 27 TYR HD1 H 1 6.93 0.01 . 1 . . . . . . . . . 6380 1 264 . 1 1 27 27 TYR CE1 C 13 118.0 0.1 . 1 . . . . . . . . . 6380 1 265 . 1 1 27 27 TYR HE1 H 1 6.75 0.01 . 1 . . . . . . . . . 6380 1 266 . 1 1 28 28 GLU N N 15 119.2 0.1 . 1 . . . . . . . . . 6380 1 267 . 1 1 28 28 GLU H H 1 7.70 0.01 . 1 . . . . . . . . . 6380 1 268 . 1 1 28 28 GLU CA C 13 59.4 0.1 . 1 . . . . . . . . . 6380 1 269 . 1 1 28 28 GLU HA H 1 3.56 0.01 . 1 . . . . . . . . . 6380 1 270 . 1 1 28 28 GLU CB C 13 29.5 0.1 . 1 . . . . . . . . . 6380 1 271 . 1 1 28 28 GLU HB2 H 1 1.94 0.01 . 2 . . . . . . . . . 6380 1 272 . 1 1 28 28 GLU HB3 H 1 1.52 0.01 . 2 . . . . . . . . . 6380 1 273 . 1 1 28 28 GLU CG C 13 37.1 0.1 . 1 . . . . . . . . . 6380 1 274 . 1 1 28 28 GLU HG2 H 1 1.88 0.01 . 2 . . . . . . . . . 6380 1 275 . 1 1 28 28 GLU HG3 H 1 2.28 0.01 . 2 . . . . . . . . . 6380 1 276 . 1 1 29 29 ASP N N 15 119.9 0.1 . 1 . . . . . . . . . 6380 1 277 . 1 1 29 29 ASP H H 1 8.22 0.01 . 1 . . . . . . . . . 6380 1 278 . 1 1 29 29 ASP CA C 13 58.2 0.1 . 1 . . . . . . . . . 6380 1 279 . 1 1 29 29 ASP HA H 1 4.68 0.01 . 1 . . . . . . . . . 6380 1 280 . 1 1 29 29 ASP CB C 13 39.7 0.1 . 1 . . . . . . . . . 6380 1 281 . 1 1 29 29 ASP HB2 H 1 2.87 0.01 . 2 . . . . . . . . . 6380 1 282 . 1 1 29 29 ASP HB3 H 1 3.01 0.01 . 2 . . . . . . . . . 6380 1 283 . 1 1 30 30 ARG N N 15 120.6 0.1 . 1 . . . . . . . . . 6380 1 284 . 1 1 30 30 ARG H H 1 8.16 0.01 . 1 . . . . . . . . . 6380 1 285 . 1 1 30 30 ARG CA C 13 59.6 0.1 . 1 . . . . . . . . . 6380 1 286 . 1 1 30 30 ARG HA H 1 3.99 0.01 . 1 . . . . . . . . . 6380 1 287 . 1 1 30 30 ARG CB C 13 29.4 0.1 . 1 . . . . . . . . . 6380 1 288 . 1 1 30 30 ARG HB2 H 1 1.88 0.01 . 1 . . . . . . . . . 6380 1 289 . 1 1 30 30 ARG HB3 H 1 1.88 0.01 . 1 . . . . . . . . . 6380 1 290 . 1 1 30 30 ARG CG C 13 27.7 0.1 . 1 . . . . . . . . . 6380 1 291 . 1 1 30 30 ARG HG2 H 1 1.74 0.01 . 2 . . . . . . . . . 6380 1 292 . 1 1 30 30 ARG HG3 H 1 1.99 0.01 . 2 . . . . . . . . . 6380 1 293 . 1 1 30 30 ARG CD C 13 43.4 0.1 . 1 . . . . . . . . . 6380 1 294 . 1 1 30 30 ARG HD2 H 1 3.33 0.01 . 2 . . . . . . . . . 6380 1 295 . 1 1 30 30 ARG HD3 H 1 3.26 0.01 . 2 . . . . . . . . . 6380 1 296 . 1 1 30 30 ARG NE N 15 86.2 0.1 . 1 . . . . . . . . . 6380 1 297 . 1 1 30 30 ARG HE H 1 7.46 0.01 . 1 . . . . . . . . . 6380 1 298 . 1 1 31 31 TYR N N 15 121.6 0.1 . 1 . . . . . . . . . 6380 1 299 . 1 1 31 31 TYR H H 1 8.29 0.01 . 1 . . . . . . . . . 6380 1 300 . 1 1 31 31 TYR CA C 13 61.7 0.1 . 1 . . . . . . . . . 6380 1 301 . 1 1 31 31 TYR HA H 1 3.79 0.01 . 1 . . . . . . . . . 6380 1 302 . 1 1 31 31 TYR CB C 13 38.0 0.1 . 1 . . . . . . . . . 6380 1 303 . 1 1 31 31 TYR HB2 H 1 2.85 0.01 . 2 . . . . . . . . . 6380 1 304 . 1 1 31 31 TYR HB3 H 1 2.96 0.01 . 2 . . . . . . . . . 6380 1 305 . 1 1 31 31 TYR CD1 C 13 133.2 0.1 . 1 . . . . . . . . . 6380 1 306 . 1 1 31 31 TYR HD1 H 1 6.93 0.01 . 1 . . . . . . . . . 6380 1 307 . 1 1 31 31 TYR CE1 C 13 117.2 0.1 . 1 . . . . . . . . . 6380 1 308 . 1 1 31 31 TYR HE1 H 1 6.63 0.01 . 1 . . . . . . . . . 6380 1 309 . 1 1 32 32 TYR N N 15 120.5 0.1 . 1 . . . . . . . . . 6380 1 310 . 1 1 32 32 TYR H H 1 8.93 0.01 . 1 . . . . . . . . . 6380 1 311 . 1 1 32 32 TYR CA C 13 62.8 0.1 . 1 . . . . . . . . . 6380 1 312 . 1 1 32 32 TYR HA H 1 3.56 0.01 . 1 . . . . . . . . . 6380 1 313 . 1 1 32 32 TYR CB C 13 37.9 0.1 . 1 . . . . . . . . . 6380 1 314 . 1 1 32 32 TYR HB2 H 1 3.76 0.01 . 2 . . . . . . . . . 6380 1 315 . 1 1 32 32 TYR HB3 H 1 2.38 0.01 . 2 . . . . . . . . . 6380 1 316 . 1 1 33 33 ARG N N 15 118.2 0.1 . 1 . . . . . . . . . 6380 1 317 . 1 1 33 33 ARG H H 1 7.88 0.01 . 1 . . . . . . . . . 6380 1 318 . 1 1 33 33 ARG CA C 13 59.6 0.1 . 1 . . . . . . . . . 6380 1 319 . 1 1 33 33 ARG HA H 1 3.87 0.01 . 1 . . . . . . . . . 6380 1 320 . 1 1 33 33 ARG CB C 13 29.7 0.1 . 1 . . . . . . . . . 6380 1 321 . 1 1 33 33 ARG HB2 H 1 2.00 0.01 . 2 . . . . . . . . . 6380 1 322 . 1 1 33 33 ARG HB3 H 1 1.94 0.01 . 2 . . . . . . . . . 6380 1 323 . 1 1 33 33 ARG CG C 13 27.5 0.1 . 1 . . . . . . . . . 6380 1 324 . 1 1 33 33 ARG HG2 H 1 1.51 0.01 . 2 . . . . . . . . . 6380 1 325 . 1 1 33 33 ARG HG3 H 1 1.73 0.01 . 2 . . . . . . . . . 6380 1 326 . 1 1 33 33 ARG CD C 13 43.0 0.1 . 1 . . . . . . . . . 6380 1 327 . 1 1 33 33 ARG HD2 H 1 3.20 0.01 . 2 . . . . . . . . . 6380 1 328 . 1 1 33 33 ARG HD3 H 1 3.09 0.01 . 2 . . . . . . . . . 6380 1 329 . 1 1 33 33 ARG NE N 15 84.5 0.1 . 1 . . . . . . . . . 6380 1 330 . 1 1 33 33 ARG HE H 1 8.19 0.01 . 1 . . . . . . . . . 6380 1 331 . 1 1 34 34 GLU N N 15 116.4 0.1 . 1 . . . . . . . . . 6380 1 332 . 1 1 34 34 GLU H H 1 8.13 0.01 . 1 . . . . . . . . . 6380 1 333 . 1 1 34 34 GLU CA C 13 57.1 0.1 . 1 . . . . . . . . . 6380 1 334 . 1 1 34 34 GLU HA H 1 4.04 0.01 . 1 . . . . . . . . . 6380 1 335 . 1 1 34 34 GLU CB C 13 29.3 0.1 . 1 . . . . . . . . . 6380 1 336 . 1 1 34 34 GLU HB2 H 1 1.88 0.01 . 1 . . . . . . . . . 6380 1 337 . 1 1 34 34 GLU HB3 H 1 1.88 0.01 . 1 . . . . . . . . . 6380 1 338 . 1 1 34 34 GLU CG C 13 35.3 0.1 . 1 . . . . . . . . . 6380 1 339 . 1 1 34 34 GLU HG2 H 1 2.25 0.01 . 2 . . . . . . . . . 6380 1 340 . 1 1 34 34 GLU HG3 H 1 2.46 0.01 . 2 . . . . . . . . . 6380 1 341 . 1 1 35 35 ASN N N 15 115.4 0.1 . 1 . . . . . . . . . 6380 1 342 . 1 1 35 35 ASN H H 1 7.48 0.01 . 1 . . . . . . . . . 6380 1 343 . 1 1 35 35 ASN CA C 13 55.2 0.1 . 1 . . . . . . . . . 6380 1 344 . 1 1 35 35 ASN HA H 1 4.18 0.01 . 1 . . . . . . . . . 6380 1 345 . 1 1 35 35 ASN CB C 13 40.8 0.1 . 1 . . . . . . . . . 6380 1 346 . 1 1 35 35 ASN HB2 H 1 2.13 0.01 . 1 . . . . . . . . . 6380 1 347 . 1 1 35 35 ASN HB3 H 1 2.13 0.01 . 1 . . . . . . . . . 6380 1 348 . 1 1 35 35 ASN ND2 N 15 117.4 0.1 . 1 . . . . . . . . . 6380 1 349 . 1 1 35 35 ASN HD21 H 1 6.74 0.01 . 2 . . . . . . . . . 6380 1 350 . 1 1 35 35 ASN HD22 H 1 6.49 0.01 . 2 . . . . . . . . . 6380 1 351 . 1 1 36 36 MET N N 15 118.5 0.1 . 1 . . . . . . . . . 6380 1 352 . 1 1 36 36 MET H H 1 7.79 0.01 . 1 . . . . . . . . . 6380 1 353 . 1 1 36 36 MET CA C 13 58.9 0.1 . 1 . . . . . . . . . 6380 1 354 . 1 1 36 36 MET HA H 1 3.28 0.01 . 1 . . . . . . . . . 6380 1 355 . 1 1 36 36 MET CB C 13 30.0 0.1 . 1 . . . . . . . . . 6380 1 356 . 1 1 36 36 MET HB2 H 1 1.54 0.01 . 2 . . . . . . . . . 6380 1 357 . 1 1 36 36 MET HB3 H 1 1.24 0.01 . 2 . . . . . . . . . 6380 1 358 . 1 1 36 36 MET CG C 13 30.1 0.1 . 1 . . . . . . . . . 6380 1 359 . 1 1 36 36 MET HG2 H 1 1.85 0.01 . 2 . . . . . . . . . 6380 1 360 . 1 1 36 36 MET HG3 H 1 2.31 0.01 . 2 . . . . . . . . . 6380 1 361 . 1 1 36 36 MET HE1 H 1 1.45 0.01 . 1 . . . . . . . . . 6380 1 362 . 1 1 36 36 MET HE2 H 1 1.45 0.01 . 1 . . . . . . . . . 6380 1 363 . 1 1 36 36 MET HE3 H 1 1.45 0.01 . 1 . . . . . . . . . 6380 1 364 . 1 1 36 36 MET CE C 13 17.4 0.1 . 1 . . . . . . . . . 6380 1 365 . 1 1 37 37 TYR N N 15 116.4 0.1 . 1 . . . . . . . . . 6380 1 366 . 1 1 37 37 TYR H H 1 7.58 0.01 . 1 . . . . . . . . . 6380 1 367 . 1 1 37 37 TYR HA H 1 4.15 0.01 . 1 . . . . . . . . . 6380 1 368 . 1 1 37 37 TYR HB2 H 1 2.94 0.01 . 2 . . . . . . . . . 6380 1 369 . 1 1 37 37 TYR HB3 H 1 3.27 0.01 . 2 . . . . . . . . . 6380 1 370 . 1 1 38 38 ARG N N 15 120.7 0.1 . 1 . . . . . . . . . 6380 1 371 . 1 1 38 38 ARG H H 1 7.91 0.01 . 1 . . . . . . . . . 6380 1 372 . 1 1 38 38 ARG CA C 13 56.0 0.1 . 1 . . . . . . . . . 6380 1 373 . 1 1 38 38 ARG HA H 1 4.02 0.01 . 1 . . . . . . . . . 6380 1 374 . 1 1 38 38 ARG CB C 13 30.6 0.1 . 1 . . . . . . . . . 6380 1 375 . 1 1 38 38 ARG HB2 H 1 1.98 0.01 . 2 . . . . . . . . . 6380 1 376 . 1 1 38 38 ARG HB3 H 1 1.40 0.01 . 2 . . . . . . . . . 6380 1 377 . 1 1 38 38 ARG CG C 13 26.6 0.1 . 1 . . . . . . . . . 6380 1 378 . 1 1 38 38 ARG HG2 H 1 1.21 0.01 . 2 . . . . . . . . . 6380 1 379 . 1 1 38 38 ARG HG3 H 1 0.43 0.01 . 2 . . . . . . . . . 6380 1 380 . 1 1 38 38 ARG CD C 13 43.9 0.1 . 1 . . . . . . . . . 6380 1 381 . 1 1 38 38 ARG HD2 H 1 3.17 0.01 . 2 . . . . . . . . . 6380 1 382 . 1 1 38 38 ARG HD3 H 1 3.03 0.01 . 2 . . . . . . . . . 6380 1 383 . 1 1 39 39 TYR N N 15 120.7 0.1 . 1 . . . . . . . . . 6380 1 384 . 1 1 39 39 TYR H H 1 7.45 0.01 . 1 . . . . . . . . . 6380 1 385 . 1 1 39 39 TYR CA C 13 52.5 0.1 . 1 . . . . . . . . . 6380 1 386 . 1 1 39 39 TYR HA H 1 4.89 0.01 . 1 . . . . . . . . . 6380 1 387 . 1 1 39 39 TYR HB2 H 1 3.14 0.01 . 1 . . . . . . . . . 6380 1 388 . 1 1 39 39 TYR HB3 H 1 3.14 0.01 . 1 . . . . . . . . . 6380 1 389 . 1 1 39 39 TYR CD1 C 13 133.6 0.1 . 1 . . . . . . . . . 6380 1 390 . 1 1 39 39 TYR HD1 H 1 6.93 0.01 . 1 . . . . . . . . . 6380 1 391 . 1 1 39 39 TYR CE1 C 13 117.4 0.1 . 1 . . . . . . . . . 6380 1 392 . 1 1 39 39 TYR HE1 H 1 6.63 0.01 . 1 . . . . . . . . . 6380 1 393 . 1 1 40 40 PRO CD C 13 49.6 0.1 . 1 . . . . . . . . . 6380 1 394 . 1 1 40 40 PRO CA C 13 63.2 0.1 . 1 . . . . . . . . . 6380 1 395 . 1 1 40 40 PRO HA H 1 4.53 0.01 . 1 . . . . . . . . . 6380 1 396 . 1 1 40 40 PRO CB C 13 32.2 0.1 . 1 . . . . . . . . . 6380 1 397 . 1 1 40 40 PRO HB2 H 1 1.66 0.01 . 2 . . . . . . . . . 6380 1 398 . 1 1 40 40 PRO HB3 H 1 2.39 0.01 . 2 . . . . . . . . . 6380 1 399 . 1 1 40 40 PRO CG C 13 26.8 0.1 . 1 . . . . . . . . . 6380 1 400 . 1 1 40 40 PRO HG2 H 1 1.50 0.01 . 2 . . . . . . . . . 6380 1 401 . 1 1 40 40 PRO HG3 H 1 1.39 0.01 . 2 . . . . . . . . . 6380 1 402 . 1 1 40 40 PRO HD2 H 1 3.16 0.01 . 2 . . . . . . . . . 6380 1 403 . 1 1 40 40 PRO HD3 H 1 3.22 0.01 . 2 . . . . . . . . . 6380 1 404 . 1 1 41 41 ASN N N 15 115.8 0.1 . 1 . . . . . . . . . 6380 1 405 . 1 1 41 41 ASN H H 1 8.37 0.01 . 1 . . . . . . . . . 6380 1 406 . 1 1 41 41 ASN CA C 13 51.9 0.1 . 1 . . . . . . . . . 6380 1 407 . 1 1 41 41 ASN HA H 1 4.68 0.01 . 1 . . . . . . . . . 6380 1 408 . 1 1 41 41 ASN CB C 13 37.8 0.1 . 1 . . . . . . . . . 6380 1 409 . 1 1 41 41 ASN HB2 H 1 3.74 0.01 . 2 . . . . . . . . . 6380 1 410 . 1 1 41 41 ASN HB3 H 1 2.37 0.01 . 2 . . . . . . . . . 6380 1 411 . 1 1 41 41 ASN ND2 N 15 108.9 0.1 . 1 . . . . . . . . . 6380 1 412 . 1 1 41 41 ASN HD21 H 1 7.48 0.01 . 2 . . . . . . . . . 6380 1 413 . 1 1 41 41 ASN HD22 H 1 6.74 0.01 . 2 . . . . . . . . . 6380 1 414 . 1 1 42 42 GLN N N 15 113.5 0.1 . 1 . . . . . . . . . 6380 1 415 . 1 1 42 42 GLN H H 1 7.20 0.01 . 1 . . . . . . . . . 6380 1 416 . 1 1 42 42 GLN CA C 13 54.2 0.1 . 1 . . . . . . . . . 6380 1 417 . 1 1 42 42 GLN HA H 1 4.60 0.01 . 1 . . . . . . . . . 6380 1 418 . 1 1 42 42 GLN CB C 13 33.5 0.1 . 1 . . . . . . . . . 6380 1 419 . 1 1 42 42 GLN HB2 H 1 2.02 0.01 . 2 . . . . . . . . . 6380 1 420 . 1 1 42 42 GLN HB3 H 1 1.96 0.01 . 2 . . . . . . . . . 6380 1 421 . 1 1 42 42 GLN CG C 13 33.9 0.1 . 1 . . . . . . . . . 6380 1 422 . 1 1 42 42 GLN HG2 H 1 2.16 0.01 . 2 . . . . . . . . . 6380 1 423 . 1 1 42 42 GLN HG3 H 1 2.03 0.01 . 2 . . . . . . . . . 6380 1 424 . 1 1 42 42 GLN NE2 N 15 113.0 0.1 . 1 . . . . . . . . . 6380 1 425 . 1 1 42 42 GLN HE21 H 1 7.91 0.01 . 2 . . . . . . . . . 6380 1 426 . 1 1 42 42 GLN HE22 H 1 6.99 0.01 . 2 . . . . . . . . . 6380 1 427 . 1 1 43 43 VAL N N 15 112.7 0.1 . 1 . . . . . . . . . 6380 1 428 . 1 1 43 43 VAL H H 1 8.46 0.01 . 1 . . . . . . . . . 6380 1 429 . 1 1 43 43 VAL CA C 13 58.2 0.1 . 1 . . . . . . . . . 6380 1 430 . 1 1 43 43 VAL HA H 1 4.90 0.01 . 1 . . . . . . . . . 6380 1 431 . 1 1 43 43 VAL CB C 13 33.9 0.1 . 1 . . . . . . . . . 6380 1 432 . 1 1 43 43 VAL HB H 1 2.58 0.01 . 1 . . . . . . . . . 6380 1 433 . 1 1 43 43 VAL HG11 H 1 0.97 0.01 . 2 . . . . . . . . . 6380 1 434 . 1 1 43 43 VAL HG12 H 1 0.97 0.01 . 2 . . . . . . . . . 6380 1 435 . 1 1 43 43 VAL HG13 H 1 0.97 0.01 . 2 . . . . . . . . . 6380 1 436 . 1 1 43 43 VAL HG21 H 1 0.72 0.01 . 2 . . . . . . . . . 6380 1 437 . 1 1 43 43 VAL HG22 H 1 0.72 0.01 . 2 . . . . . . . . . 6380 1 438 . 1 1 43 43 VAL HG23 H 1 0.72 0.01 . 2 . . . . . . . . . 6380 1 439 . 1 1 43 43 VAL CG1 C 13 23.1 0.1 . 1 . . . . . . . . . 6380 1 440 . 1 1 43 43 VAL CG2 C 13 17.7 0.1 . 1 . . . . . . . . . 6380 1 441 . 1 1 44 44 TYR N N 15 121.2 0.1 . 1 . . . . . . . . . 6380 1 442 . 1 1 44 44 TYR H H 1 8.41 0.01 . 1 . . . . . . . . . 6380 1 443 . 1 1 44 44 TYR CA C 13 56.9 0.1 . 1 . . . . . . . . . 6380 1 444 . 1 1 44 44 TYR HA H 1 5.56 0.01 . 1 . . . . . . . . . 6380 1 445 . 1 1 44 44 TYR CB C 13 41.1 0.1 . 1 . . . . . . . . . 6380 1 446 . 1 1 44 44 TYR HB2 H 1 2.52 0.01 . 2 . . . . . . . . . 6380 1 447 . 1 1 44 44 TYR HB3 H 1 2.64 0.01 . 2 . . . . . . . . . 6380 1 448 . 1 1 44 44 TYR CD1 C 13 133.8 0.1 . 1 . . . . . . . . . 6380 1 449 . 1 1 44 44 TYR HD1 H 1 6.88 0.01 . 1 . . . . . . . . . 6380 1 450 . 1 1 44 44 TYR CE1 C 13 118.0 0.1 . 1 . . . . . . . . . 6380 1 451 . 1 1 44 44 TYR HE1 H 1 6.66 0.01 . 1 . . . . . . . . . 6380 1 452 . 1 1 45 45 TYR N N 15 111.4 0.1 . 1 . . . . . . . . . 6380 1 453 . 1 1 45 45 TYR H H 1 8.53 0.01 . 1 . . . . . . . . . 6380 1 454 . 1 1 45 45 TYR CA C 13 55.7 0.1 . 1 . . . . . . . . . 6380 1 455 . 1 1 45 45 TYR HA H 1 4.78 0.01 . 1 . . . . . . . . . 6380 1 456 . 1 1 45 45 TYR CB C 13 40.3 0.1 . 1 . . . . . . . . . 6380 1 457 . 1 1 45 45 TYR HB2 H 1 2.98 0.01 . 2 . . . . . . . . . 6380 1 458 . 1 1 45 45 TYR HB3 H 1 2.85 0.01 . 2 . . . . . . . . . 6380 1 459 . 1 1 45 45 TYR CD1 C 13 133.8 0.1 . 1 . . . . . . . . . 6380 1 460 . 1 1 45 45 TYR HD1 H 1 7.00 0.01 . 1 . . . . . . . . . 6380 1 461 . 1 1 45 45 TYR CE1 C 13 118.0 0.1 . 1 . . . . . . . . . 6380 1 462 . 1 1 45 45 TYR HE1 H 1 6.37 0.01 . 1 . . . . . . . . . 6380 1 463 . 1 1 46 46 ARG N N 15 120.7 0.1 . 1 . . . . . . . . . 6380 1 464 . 1 1 46 46 ARG H H 1 8.40 0.01 . 1 . . . . . . . . . 6380 1 465 . 1 1 46 46 ARG CA C 13 52.9 0.1 . 1 . . . . . . . . . 6380 1 466 . 1 1 46 46 ARG HA H 1 4.61 0.01 . 1 . . . . . . . . . 6380 1 467 . 1 1 46 46 ARG CB C 13 30.0 0.1 . 1 . . . . . . . . . 6380 1 468 . 1 1 46 46 ARG HB2 H 1 1.62 0.01 . 1 . . . . . . . . . 6380 1 469 . 1 1 46 46 ARG HB3 H 1 1.62 0.01 . 1 . . . . . . . . . 6380 1 470 . 1 1 46 46 ARG CG C 13 27.5 0.1 . 1 . . . . . . . . . 6380 1 471 . 1 1 46 46 ARG HG2 H 1 1.06 0.01 . 1 . . . . . . . . . 6380 1 472 . 1 1 46 46 ARG HG3 H 1 1.06 0.01 . 1 . . . . . . . . . 6380 1 473 . 1 1 46 46 ARG CD C 13 43.2 0.1 . 1 . . . . . . . . . 6380 1 474 . 1 1 46 46 ARG HD2 H 1 2.83 0.01 . 1 . . . . . . . . . 6380 1 475 . 1 1 46 46 ARG HD3 H 1 2.83 0.01 . 1 . . . . . . . . . 6380 1 476 . 1 1 46 46 ARG NE N 15 85.8 0.1 . 1 . . . . . . . . . 6380 1 477 . 1 1 46 46 ARG HE H 1 6.88 0.01 . 1 . . . . . . . . . 6380 1 478 . 1 1 47 47 PRO CD C 13 49.6 0.1 . 1 . . . . . . . . . 6380 1 479 . 1 1 47 47 PRO CA C 13 63.2 0.1 . 1 . . . . . . . . . 6380 1 480 . 1 1 47 47 PRO HA H 1 4.57 0.01 . 1 . . . . . . . . . 6380 1 481 . 1 1 47 47 PRO CB C 13 32.2 0.1 . 1 . . . . . . . . . 6380 1 482 . 1 1 47 47 PRO HB2 H 1 2.46 0.01 . 2 . . . . . . . . . 6380 1 483 . 1 1 47 47 PRO HB3 H 1 1.95 0.01 . 2 . . . . . . . . . 6380 1 484 . 1 1 47 47 PRO CG C 13 27.9 0.1 . 1 . . . . . . . . . 6380 1 485 . 1 1 47 47 PRO HG2 H 1 2.17 0.01 . 2 . . . . . . . . . 6380 1 486 . 1 1 47 47 PRO HG3 H 1 1.99 0.01 . 2 . . . . . . . . . 6380 1 487 . 1 1 47 47 PRO HD2 H 1 3.42 0.01 . 2 . . . . . . . . . 6380 1 488 . 1 1 47 47 PRO HD3 H 1 3.65 0.01 . 2 . . . . . . . . . 6380 1 489 . 1 1 48 48 VAL N N 15 118.1 0.1 . 1 . . . . . . . . . 6380 1 490 . 1 1 48 48 VAL H H 1 8.05 0.01 . 1 . . . . . . . . . 6380 1 491 . 1 1 48 48 VAL HA H 1 3.87 0.01 . 1 . . . . . . . . . 6380 1 492 . 1 1 48 48 VAL HB H 1 2.00 0.01 . 1 . . . . . . . . . 6380 1 493 . 1 1 48 48 VAL HG11 H 1 0.84 0.01 . 2 . . . . . . . . . 6380 1 494 . 1 1 48 48 VAL HG12 H 1 0.84 0.01 . 2 . . . . . . . . . 6380 1 495 . 1 1 48 48 VAL HG13 H 1 0.84 0.01 . 2 . . . . . . . . . 6380 1 496 . 1 1 49 49 ASP N N 15 117.6 0.1 . 1 . . . . . . . . . 6380 1 497 . 1 1 49 49 ASP H H 1 7.42 0.01 . 1 . . . . . . . . . 6380 1 498 . 1 1 49 49 ASP CA C 13 53.5 0.1 . 1 . . . . . . . . . 6380 1 499 . 1 1 49 49 ASP HA H 1 4.64 0.01 . 1 . . . . . . . . . 6380 1 500 . 1 1 49 49 ASP CB C 13 39.6 0.1 . 1 . . . . . . . . . 6380 1 501 . 1 1 49 49 ASP HB2 H 1 2.99 0.01 . 2 . . . . . . . . . 6380 1 502 . 1 1 49 49 ASP HB3 H 1 2.88 0.01 . 2 . . . . . . . . . 6380 1 503 . 1 1 50 50 GLN N N 15 120.5 0.1 . 1 . . . . . . . . . 6380 1 504 . 1 1 50 50 GLN H H 1 8.55 0.01 . 1 . . . . . . . . . 6380 1 505 . 1 1 50 50 GLN HA H 1 3.75 0.01 . 1 . . . . . . . . . 6380 1 506 . 1 1 50 50 GLN HB2 H 1 1.34 0.01 . 2 . . . . . . . . . 6380 1 507 . 1 1 50 50 GLN HB3 H 1 1.24 0.01 . 2 . . . . . . . . . 6380 1 508 . 1 1 50 50 GLN HG2 H 1 2.37 0.01 . 1 . . . . . . . . . 6380 1 509 . 1 1 50 50 GLN HG3 H 1 2.37 0.01 . 1 . . . . . . . . . 6380 1 510 . 1 1 51 51 TYR N N 15 117.2 0.1 . 1 . . . . . . . . . 6380 1 511 . 1 1 51 51 TYR H H 1 8.48 0.01 . 1 . . . . . . . . . 6380 1 512 . 1 1 51 51 TYR HA H 1 4.20 0.01 . 1 . . . . . . . . . 6380 1 513 . 1 1 51 51 TYR HB2 H 1 2.74 0.01 . 2 . . . . . . . . . 6380 1 514 . 1 1 51 51 TYR HB3 H 1 2.64 0.01 . 2 . . . . . . . . . 6380 1 515 . 1 1 51 51 TYR CD1 C 13 133.6 0.1 . 1 . . . . . . . . . 6380 1 516 . 1 1 51 51 TYR HD1 H 1 7.21 0.01 . 1 . . . . . . . . . 6380 1 517 . 1 1 51 51 TYR CE1 C 13 118.8 0.1 . 1 . . . . . . . . . 6380 1 518 . 1 1 51 51 TYR HE1 H 1 6.78 0.01 . 1 . . . . . . . . . 6380 1 519 . 1 1 53 53 ASN ND2 N 15 112.6 0.1 . 1 . . . . . . . . . 6380 1 520 . 1 1 53 53 ASN HD21 H 1 7.52 0.01 . 2 . . . . . . . . . 6380 1 521 . 1 1 53 53 ASN HD22 H 1 6.81 0.01 . 2 . . . . . . . . . 6380 1 522 . 1 1 54 54 GLN N N 15 119.9 0.1 . 1 . . . . . . . . . 6380 1 523 . 1 1 54 54 GLN H H 1 8.58 0.01 . 1 . . . . . . . . . 6380 1 524 . 1 1 54 54 GLN NE2 N 15 112.0 0.1 . 1 . . . . . . . . . 6380 1 525 . 1 1 54 54 GLN HE21 H 1 7.24 0.01 . 2 . . . . . . . . . 6380 1 526 . 1 1 54 54 GLN HE22 H 1 6.88 0.01 . 2 . . . . . . . . . 6380 1 527 . 1 1 55 55 ASN N N 15 117.1 0.1 . 1 . . . . . . . . . 6380 1 528 . 1 1 55 55 ASN H H 1 8.48 0.01 . 1 . . . . . . . . . 6380 1 529 . 1 1 55 55 ASN HA H 1 4.21 0.01 . 1 . . . . . . . . . 6380 1 530 . 1 1 55 55 ASN ND2 N 15 112.6 0.1 . 1 . . . . . . . . . 6380 1 531 . 1 1 55 55 ASN HD21 H 1 7.63 0.01 . 2 . . . . . . . . . 6380 1 532 . 1 1 55 55 ASN HD22 H 1 6.93 0.01 . 2 . . . . . . . . . 6380 1 533 . 1 1 56 56 SER H H 1 8.27 0.01 . 1 . . . . . . . . . 6380 1 534 . 1 1 57 57 PHE N N 15 120.5 0.1 . 1 . . . . . . . . . 6380 1 535 . 1 1 57 57 PHE H H 1 8.93 0.01 . 1 . . . . . . . . . 6380 1 536 . 1 1 57 57 PHE HA H 1 4.11 0.01 . 1 . . . . . . . . . 6380 1 537 . 1 1 57 57 PHE HB2 H 1 2.82 0.01 . 2 . . . . . . . . . 6380 1 538 . 1 1 57 57 PHE HB3 H 1 2.57 0.01 . 2 . . . . . . . . . 6380 1 539 . 1 1 57 57 PHE CD1 C 13 129.4 0.1 . 1 . . . . . . . . . 6380 1 540 . 1 1 57 57 PHE HD1 H 1 6.60 0.01 . 1 . . . . . . . . . 6380 1 541 . 1 1 57 57 PHE CE1 C 13 132.0 0.1 . 1 . . . . . . . . . 6380 1 542 . 1 1 57 57 PHE HE1 H 1 7.71 0.01 . 1 . . . . . . . . . 6380 1 543 . 1 1 57 57 PHE CZ C 13 133.0 0.1 . 1 . . . . . . . . . 6380 1 544 . 1 1 57 57 PHE HZ H 1 7.11 0.01 . 1 . . . . . . . . . 6380 1 545 . 1 1 58 58 VAL N N 15 120.5 0.1 . 1 . . . . . . . . . 6380 1 546 . 1 1 58 58 VAL H H 1 8.88 0.01 . 1 . . . . . . . . . 6380 1 547 . 1 1 58 58 VAL CA C 13 67.6 0.1 . 1 . . . . . . . . . 6380 1 548 . 1 1 58 58 VAL HA H 1 3.56 0.01 . 1 . . . . . . . . . 6380 1 549 . 1 1 58 58 VAL CB C 13 31.3 0.1 . 1 . . . . . . . . . 6380 1 550 . 1 1 58 58 VAL HB H 1 2.25 0.01 . 1 . . . . . . . . . 6380 1 551 . 1 1 58 58 VAL HG11 H 1 1.01 0.01 . 2 . . . . . . . . . 6380 1 552 . 1 1 58 58 VAL HG12 H 1 1.01 0.01 . 2 . . . . . . . . . 6380 1 553 . 1 1 58 58 VAL HG13 H 1 1.01 0.01 . 2 . . . . . . . . . 6380 1 554 . 1 1 58 58 VAL CG1 C 13 21.4 0.1 . 1 . . . . . . . . . 6380 1 555 . 1 1 59 59 HIS N N 15 117.0 0.1 . 1 . . . . . . . . . 6380 1 556 . 1 1 59 59 HIS H H 1 8.40 0.01 . 1 . . . . . . . . . 6380 1 557 . 1 1 59 59 HIS CA C 13 59.2 0.1 . 1 . . . . . . . . . 6380 1 558 . 1 1 59 59 HIS HA H 1 4.28 0.01 . 1 . . . . . . . . . 6380 1 559 . 1 1 59 59 HIS CB C 13 28.0 0.1 . 1 . . . . . . . . . 6380 1 560 . 1 1 59 59 HIS HB2 H 1 3.34 0.01 . 2 . . . . . . . . . 6380 1 561 . 1 1 59 59 HIS HB3 H 1 3.36 0.01 . 2 . . . . . . . . . 6380 1 562 . 1 1 59 59 HIS CD2 C 13 120.0 0.1 . 1 . . . . . . . . . 6380 1 563 . 1 1 59 59 HIS HD2 H 1 7.28 0.01 . 1 . . . . . . . . . 6380 1 564 . 1 1 60 60 ASP N N 15 118.9 0.1 . 1 . . . . . . . . . 6380 1 565 . 1 1 60 60 ASP H H 1 7.39 0.01 . 1 . . . . . . . . . 6380 1 566 . 1 1 60 60 ASP CA C 13 57.0 0.1 . 1 . . . . . . . . . 6380 1 567 . 1 1 60 60 ASP HA H 1 4.55 0.01 . 1 . . . . . . . . . 6380 1 568 . 1 1 60 60 ASP CB C 13 40.8 0.1 . 1 . . . . . . . . . 6380 1 569 . 1 1 60 60 ASP HB2 H 1 2.98 0.01 . 2 . . . . . . . . . 6380 1 570 . 1 1 60 60 ASP HB3 H 1 2.94 0.01 . 2 . . . . . . . . . 6380 1 571 . 1 1 61 61 CYS N N 15 119.5 0.1 . 1 . . . . . . . . . 6380 1 572 . 1 1 61 61 CYS H H 1 8.19 0.01 . 1 . . . . . . . . . 6380 1 573 . 1 1 61 61 CYS CA C 13 58.5 0.1 . 1 . . . . . . . . . 6380 1 574 . 1 1 61 61 CYS HA H 1 4.69 0.01 . 1 . . . . . . . . . 6380 1 575 . 1 1 61 61 CYS CB C 13 40.2 0.1 . 1 . . . . . . . . . 6380 1 576 . 1 1 61 61 CYS HB2 H 1 2.85 0.01 . 2 . . . . . . . . . 6380 1 577 . 1 1 61 61 CYS HB3 H 1 3.23 0.01 . 2 . . . . . . . . . 6380 1 578 . 1 1 62 62 VAL N N 15 124.3 0.1 . 1 . . . . . . . . . 6380 1 579 . 1 1 62 62 VAL H H 1 9.26 0.01 . 1 . . . . . . . . . 6380 1 580 . 1 1 62 62 VAL CA C 13 65.7 0.1 . 1 . . . . . . . . . 6380 1 581 . 1 1 62 62 VAL HA H 1 3.65 0.01 . 1 . . . . . . . . . 6380 1 582 . 1 1 62 62 VAL CB C 13 31.7 0.1 . 1 . . . . . . . . . 6380 1 583 . 1 1 62 62 VAL HB H 1 2.12 0.01 . 1 . . . . . . . . . 6380 1 584 . 1 1 62 62 VAL HG11 H 1 1.26 0.01 . 2 . . . . . . . . . 6380 1 585 . 1 1 62 62 VAL HG12 H 1 1.26 0.01 . 2 . . . . . . . . . 6380 1 586 . 1 1 62 62 VAL HG13 H 1 1.26 0.01 . 2 . . . . . . . . . 6380 1 587 . 1 1 62 62 VAL HG21 H 1 1.05 0.01 . 2 . . . . . . . . . 6380 1 588 . 1 1 62 62 VAL HG22 H 1 1.05 0.01 . 2 . . . . . . . . . 6380 1 589 . 1 1 62 62 VAL HG23 H 1 1.05 0.01 . 2 . . . . . . . . . 6380 1 590 . 1 1 62 62 VAL CG1 C 13 21.6 0.1 . 1 . . . . . . . . . 6380 1 591 . 1 1 62 62 VAL CG2 C 13 23.1 0.1 . 1 . . . . . . . . . 6380 1 592 . 1 1 63 63 ASN N N 15 117.0 0.1 . 1 . . . . . . . . . 6380 1 593 . 1 1 63 63 ASN H H 1 7.69 0.01 . 1 . . . . . . . . . 6380 1 594 . 1 1 63 63 ASN CA C 13 56.4 0.1 . 1 . . . . . . . . . 6380 1 595 . 1 1 63 63 ASN HA H 1 4.27 0.01 . 1 . . . . . . . . . 6380 1 596 . 1 1 63 63 ASN CB C 13 38.4 0.1 . 1 . . . . . . . . . 6380 1 597 . 1 1 63 63 ASN HB2 H 1 2.78 0.01 . 2 . . . . . . . . . 6380 1 598 . 1 1 63 63 ASN HB3 H 1 2.84 0.01 . 2 . . . . . . . . . 6380 1 599 . 1 1 63 63 ASN ND2 N 15 112.3 0.1 . 1 . . . . . . . . . 6380 1 600 . 1 1 63 63 ASN HD21 H 1 7.66 0.01 . 2 . . . . . . . . . 6380 1 601 . 1 1 63 63 ASN HD22 H 1 6.77 0.01 . 2 . . . . . . . . . 6380 1 602 . 1 1 64 64 ILE N N 15 118.0 0.1 . 1 . . . . . . . . . 6380 1 603 . 1 1 64 64 ILE H H 1 8.58 0.01 . 1 . . . . . . . . . 6380 1 604 . 1 1 64 64 ILE CA C 13 62.0 0.1 . 1 . . . . . . . . . 6380 1 605 . 1 1 64 64 ILE HA H 1 3.71 0.01 . 1 . . . . . . . . . 6380 1 606 . 1 1 64 64 ILE CB C 13 36.4 0.1 . 1 . . . . . . . . . 6380 1 607 . 1 1 64 64 ILE HB H 1 1.53 0.01 . 1 . . . . . . . . . 6380 1 608 . 1 1 64 64 ILE HG21 H 1 0.22 0.01 . 1 . . . . . . . . . 6380 1 609 . 1 1 64 64 ILE HG22 H 1 0.22 0.01 . 1 . . . . . . . . . 6380 1 610 . 1 1 64 64 ILE HG23 H 1 0.22 0.01 . 1 . . . . . . . . . 6380 1 611 . 1 1 64 64 ILE CG2 C 13 17.7 0.1 . 1 . . . . . . . . . 6380 1 612 . 1 1 64 64 ILE CG1 C 13 27.3 0.1 . 1 . . . . . . . . . 6380 1 613 . 1 1 64 64 ILE HG12 H 1 0.84 0.01 . 2 . . . . . . . . . 6380 1 614 . 1 1 64 64 ILE HG13 H 1 0.77 0.01 . 2 . . . . . . . . . 6380 1 615 . 1 1 64 64 ILE HD11 H 1 0.36 0.01 . 1 . . . . . . . . . 6380 1 616 . 1 1 64 64 ILE HD12 H 1 0.36 0.01 . 1 . . . . . . . . . 6380 1 617 . 1 1 64 64 ILE HD13 H 1 0.36 0.01 . 1 . . . . . . . . . 6380 1 618 . 1 1 64 64 ILE CD1 C 13 10.9 0.1 . 1 . . . . . . . . . 6380 1 619 . 1 1 65 65 THR N N 15 118.5 0.1 . 1 . . . . . . . . . 6380 1 620 . 1 1 65 65 THR H H 1 8.11 0.01 . 1 . . . . . . . . . 6380 1 621 . 1 1 65 65 THR CA C 13 67.8 0.1 . 1 . . . . . . . . . 6380 1 622 . 1 1 65 65 THR HA H 1 4.50 0.01 . 1 . . . . . . . . . 6380 1 623 . 1 1 65 65 THR CB C 13 68.0 0.1 . 1 . . . . . . . . . 6380 1 624 . 1 1 65 65 THR HB H 1 4.01 0.01 . 1 . . . . . . . . . 6380 1 625 . 1 1 65 65 THR HG21 H 1 1.51 0.01 . 1 . . . . . . . . . 6380 1 626 . 1 1 65 65 THR HG22 H 1 1.51 0.01 . 1 . . . . . . . . . 6380 1 627 . 1 1 65 65 THR HG23 H 1 1.51 0.01 . 1 . . . . . . . . . 6380 1 628 . 1 1 65 65 THR HG1 H 1 6.37 0.01 . 1 . . . . . . . . . 6380 1 629 . 1 1 65 65 THR CG2 C 13 22.0 0.1 . 1 . . . . . . . . . 6380 1 630 . 1 1 66 66 VAL N N 15 120.7 0.1 . 1 . . . . . . . . . 6380 1 631 . 1 1 66 66 VAL H H 1 8.88 0.01 . 1 . . . . . . . . . 6380 1 632 . 1 1 66 66 VAL HA H 1 3.56 0.01 . 1 . . . . . . . . . 6380 1 633 . 1 1 66 66 VAL HB H 1 2.26 0.01 . 1 . . . . . . . . . 6380 1 634 . 1 1 66 66 VAL HG11 H 1 1.03 0.01 . 2 . . . . . . . . . 6380 1 635 . 1 1 66 66 VAL HG12 H 1 1.03 0.01 . 2 . . . . . . . . . 6380 1 636 . 1 1 66 66 VAL HG13 H 1 1.03 0.01 . 2 . . . . . . . . . 6380 1 637 . 1 1 66 66 VAL HG21 H 1 0.92 0.01 . 2 . . . . . . . . . 6380 1 638 . 1 1 66 66 VAL HG22 H 1 0.92 0.01 . 2 . . . . . . . . . 6380 1 639 . 1 1 66 66 VAL HG23 H 1 0.92 0.01 . 2 . . . . . . . . . 6380 1 640 . 1 1 67 67 LYS N N 15 122.6 0.1 . 1 . . . . . . . . . 6380 1 641 . 1 1 67 67 LYS H H 1 8.21 0.01 . 1 . . . . . . . . . 6380 1 642 . 1 1 67 67 LYS CA C 13 59.8 0.1 . 1 . . . . . . . . . 6380 1 643 . 1 1 67 67 LYS HA H 1 4.17 0.01 . 1 . . . . . . . . . 6380 1 644 . 1 1 67 67 LYS CB C 13 32.0 0.1 . 1 . . . . . . . . . 6380 1 645 . 1 1 67 67 LYS HB2 H 1 2.02 0.01 . 2 . . . . . . . . . 6380 1 646 . 1 1 67 67 LYS HB3 H 1 2.04 0.01 . 2 . . . . . . . . . 6380 1 647 . 1 1 67 67 LYS CG C 13 24.8 0.1 . 1 . . . . . . . . . 6380 1 648 . 1 1 67 67 LYS HG2 H 1 2.00 0.01 . 2 . . . . . . . . . 6380 1 649 . 1 1 67 67 LYS HG3 H 1 1.65 0.01 . 2 . . . . . . . . . 6380 1 650 . 1 1 67 67 LYS CD C 13 28.0 0.1 . 1 . . . . . . . . . 6380 1 651 . 1 1 67 67 LYS HD2 H 1 1.99 0.01 . 1 . . . . . . . . . 6380 1 652 . 1 1 67 67 LYS HD3 H 1 1.99 0.01 . 1 . . . . . . . . . 6380 1 653 . 1 1 67 67 LYS CE C 13 41.5 0.1 . 1 . . . . . . . . . 6380 1 654 . 1 1 67 67 LYS HE2 H 1 3.24 0.01 . 1 . . . . . . . . . 6380 1 655 . 1 1 67 67 LYS HE3 H 1 3.24 0.01 . 1 . . . . . . . . . 6380 1 656 . 1 1 68 68 GLN N N 15 116.0 0.1 . 1 . . . . . . . . . 6380 1 657 . 1 1 68 68 GLN H H 1 8.43 0.01 . 1 . . . . . . . . . 6380 1 658 . 1 1 68 68 GLN CA C 13 57.4 0.1 . 1 . . . . . . . . . 6380 1 659 . 1 1 68 68 GLN HA H 1 4.05 0.01 . 1 . . . . . . . . . 6380 1 660 . 1 1 68 68 GLN CB C 13 27.9 0.1 . 1 . . . . . . . . . 6380 1 661 . 1 1 68 68 GLN HB2 H 1 1.98 0.01 . 2 . . . . . . . . . 6380 1 662 . 1 1 68 68 GLN HB3 H 1 1.88 0.01 . 2 . . . . . . . . . 6380 1 663 . 1 1 68 68 GLN CG C 13 33.1 0.1 . 1 . . . . . . . . . 6380 1 664 . 1 1 68 68 GLN HG2 H 1 2.16 0.01 . 2 . . . . . . . . . 6380 1 665 . 1 1 68 68 GLN HG3 H 1 1.65 0.01 . 2 . . . . . . . . . 6380 1 666 . 1 1 68 68 GLN NE2 N 15 110.8 0.1 . 1 . . . . . . . . . 6380 1 667 . 1 1 68 68 GLN HE21 H 1 6.88 0.01 . 2 . . . . . . . . . 6380 1 668 . 1 1 68 68 GLN HE22 H 1 6.71 0.01 . 2 . . . . . . . . . 6380 1 669 . 1 1 69 69 HIS N N 15 117.0 0.1 . 1 . . . . . . . . . 6380 1 670 . 1 1 69 69 HIS H H 1 7.95 0.01 . 1 . . . . . . . . . 6380 1 671 . 1 1 69 69 HIS CA C 13 58.0 0.1 . 1 . . . . . . . . . 6380 1 672 . 1 1 69 69 HIS HA H 1 4.61 0.01 . 1 . . . . . . . . . 6380 1 673 . 1 1 69 69 HIS CB C 13 29.4 0.1 . 1 . . . . . . . . . 6380 1 674 . 1 1 69 69 HIS HB2 H 1 3.41 0.01 . 2 . . . . . . . . . 6380 1 675 . 1 1 69 69 HIS HB3 H 1 3.21 0.01 . 2 . . . . . . . . . 6380 1 676 . 1 1 69 69 HIS CD2 C 13 119.0 0.1 . 1 . . . . . . . . . 6380 1 677 . 1 1 69 69 HIS HD2 H 1 7.19 0.01 . 1 . . . . . . . . . 6380 1 678 . 1 1 69 69 HIS HE1 H 1 8.45 0.01 . 1 . . . . . . . . . 6380 1 679 . 1 1 70 70 THR N N 15 113.7 0.1 . 1 . . . . . . . . . 6380 1 680 . 1 1 70 70 THR H H 1 8.13 0.01 . 1 . . . . . . . . . 6380 1 681 . 1 1 70 70 THR CA C 13 64.4 0.1 . 1 . . . . . . . . . 6380 1 682 . 1 1 70 70 THR HA H 1 4.28 0.01 . 1 . . . . . . . . . 6380 1 683 . 1 1 70 70 THR CB C 13 69.1 0.1 . 1 . . . . . . . . . 6380 1 684 . 1 1 70 70 THR HB H 1 4.38 0.01 . 1 . . . . . . . . . 6380 1 685 . 1 1 70 70 THR HG21 H 1 1.21 0.01 . 1 . . . . . . . . . 6380 1 686 . 1 1 70 70 THR HG22 H 1 1.21 0.01 . 1 . . . . . . . . . 6380 1 687 . 1 1 70 70 THR HG23 H 1 1.21 0.01 . 1 . . . . . . . . . 6380 1 688 . 1 1 70 70 THR CG2 C 13 21.2 0.1 . 1 . . . . . . . . . 6380 1 689 . 1 1 71 71 VAL N N 15 122.0 0.1 . 1 . . . . . . . . . 6380 1 690 . 1 1 71 71 VAL H H 1 8.04 0.01 . 1 . . . . . . . . . 6380 1 691 . 1 1 71 71 VAL CA C 13 64.4 0.1 . 1 . . . . . . . . . 6380 1 692 . 1 1 71 71 VAL HA H 1 4.08 0.01 . 1 . . . . . . . . . 6380 1 693 . 1 1 71 71 VAL CB C 13 31.9 0.1 . 1 . . . . . . . . . 6380 1 694 . 1 1 71 71 VAL HB H 1 2.19 0.01 . 1 . . . . . . . . . 6380 1 695 . 1 1 71 71 VAL HG11 H 1 1.00 0.01 . 2 . . . . . . . . . 6380 1 696 . 1 1 71 71 VAL HG12 H 1 1.00 0.01 . 2 . . . . . . . . . 6380 1 697 . 1 1 71 71 VAL HG13 H 1 1.00 0.01 . 2 . . . . . . . . . 6380 1 698 . 1 1 71 71 VAL HG21 H 1 1.01 0.01 . 2 . . . . . . . . . 6380 1 699 . 1 1 71 71 VAL HG22 H 1 1.01 0.01 . 2 . . . . . . . . . 6380 1 700 . 1 1 71 71 VAL HG23 H 1 1.01 0.01 . 2 . . . . . . . . . 6380 1 701 . 1 1 71 71 VAL CG1 C 13 20.9 0.1 . 1 . . . . . . . . . 6380 1 702 . 1 1 71 71 VAL CG2 C 13 21.2 0.1 . 1 . . . . . . . . . 6380 1 703 . 1 1 72 72 THR N N 15 115.6 0.1 . 1 . . . . . . . . . 6380 1 704 . 1 1 72 72 THR H H 1 8.15 0.01 . 1 . . . . . . . . . 6380 1 705 . 1 1 72 72 THR CA C 13 63.2 0.1 . 1 . . . . . . . . . 6380 1 706 . 1 1 72 72 THR HA H 1 4.36 0.01 . 1 . . . . . . . . . 6380 1 707 . 1 1 72 72 THR CB C 13 69.2 0.1 . 1 . . . . . . . . . 6380 1 708 . 1 1 72 72 THR HB H 1 4.26 0.01 . 1 . . . . . . . . . 6380 1 709 . 1 1 72 72 THR HG21 H 1 1.24 0.01 . 1 . . . . . . . . . 6380 1 710 . 1 1 72 72 THR HG22 H 1 1.24 0.01 . 1 . . . . . . . . . 6380 1 711 . 1 1 72 72 THR HG23 H 1 1.24 0.01 . 1 . . . . . . . . . 6380 1 712 . 1 1 72 72 THR CG2 C 13 21.4 0.1 . 1 . . . . . . . . . 6380 1 713 . 1 1 73 73 THR N N 15 116.2 0.1 . 1 . . . . . . . . . 6380 1 714 . 1 1 73 73 THR H H 1 8.01 0.01 . 1 . . . . . . . . . 6380 1 715 . 1 1 73 73 THR CA C 13 63.4 0.1 . 1 . . . . . . . . . 6380 1 716 . 1 1 73 73 THR HA H 1 4.29 0.01 . 1 . . . . . . . . . 6380 1 717 . 1 1 73 73 THR CB C 13 69.1 0.1 . 1 . . . . . . . . . 6380 1 718 . 1 1 73 73 THR HB H 1 4.26 0.01 . 1 . . . . . . . . . 6380 1 719 . 1 1 73 73 THR HG21 H 1 1.24 0.01 . 1 . . . . . . . . . 6380 1 720 . 1 1 73 73 THR HG22 H 1 1.24 0.01 . 1 . . . . . . . . . 6380 1 721 . 1 1 73 73 THR HG23 H 1 1.24 0.01 . 1 . . . . . . . . . 6380 1 722 . 1 1 73 73 THR CG2 C 13 21.2 0.1 . 1 . . . . . . . . . 6380 1 723 . 1 1 74 74 THR N N 15 115.1 0.1 . 1 . . . . . . . . . 6380 1 724 . 1 1 74 74 THR H H 1 8.06 0.01 . 1 . . . . . . . . . 6380 1 725 . 1 1 74 74 THR CA C 13 62.9 0.1 . 1 . . . . . . . . . 6380 1 726 . 1 1 74 74 THR HA H 1 4.37 0.01 . 1 . . . . . . . . . 6380 1 727 . 1 1 74 74 THR CB C 13 69.0 0.1 . 1 . . . . . . . . . 6380 1 728 . 1 1 74 74 THR HB H 1 4.38 0.01 . 1 . . . . . . . . . 6380 1 729 . 1 1 74 74 THR HG21 H 1 1.84 0.01 . 1 . . . . . . . . . 6380 1 730 . 1 1 74 74 THR HG22 H 1 1.84 0.01 . 1 . . . . . . . . . 6380 1 731 . 1 1 74 74 THR HG23 H 1 1.84 0.01 . 1 . . . . . . . . . 6380 1 732 . 1 1 74 74 THR CG2 C 13 21.4 0.1 . 1 . . . . . . . . . 6380 1 733 . 1 1 75 75 THR N N 15 115.8 0.1 . 1 . . . . . . . . . 6380 1 734 . 1 1 75 75 THR H H 1 8.15 0.01 . 1 . . . . . . . . . 6380 1 735 . 1 1 75 75 THR CA C 13 62.9 0.1 . 1 . . . . . . . . . 6380 1 736 . 1 1 75 75 THR HA H 1 4.27 0.01 . 1 . . . . . . . . . 6380 1 737 . 1 1 75 75 THR CB C 13 69.3 0.1 . 1 . . . . . . . . . 6380 1 738 . 1 1 75 75 THR HB H 1 4.38 0.01 . 1 . . . . . . . . . 6380 1 739 . 1 1 75 75 THR HG21 H 1 1.21 0.01 . 1 . . . . . . . . . 6380 1 740 . 1 1 75 75 THR HG22 H 1 1.21 0.01 . 1 . . . . . . . . . 6380 1 741 . 1 1 75 75 THR HG23 H 1 1.21 0.01 . 1 . . . . . . . . . 6380 1 742 . 1 1 75 75 THR CG2 C 13 21.4 0.1 . 1 . . . . . . . . . 6380 1 743 . 1 1 76 76 LYS N N 15 121.7 0.1 . 1 . . . . . . . . . 6380 1 744 . 1 1 76 76 LYS H H 1 7.98 0.01 . 1 . . . . . . . . . 6380 1 745 . 1 1 76 76 LYS CA C 13 56.4 0.1 . 1 . . . . . . . . . 6380 1 746 . 1 1 76 76 LYS HA H 1 4.29 0.01 . 1 . . . . . . . . . 6380 1 747 . 1 1 76 76 LYS CB C 13 32.3 0.1 . 1 . . . . . . . . . 6380 1 748 . 1 1 76 76 LYS HB2 H 1 1.89 0.01 . 2 . . . . . . . . . 6380 1 749 . 1 1 76 76 LYS HB3 H 1 1.80 0.01 . 2 . . . . . . . . . 6380 1 750 . 1 1 76 76 LYS CG C 13 24.5 0.1 . 1 . . . . . . . . . 6380 1 751 . 1 1 76 76 LYS HG2 H 1 1.49 0.01 . 2 . . . . . . . . . 6380 1 752 . 1 1 76 76 LYS HG3 H 1 1.42 0.01 . 2 . . . . . . . . . 6380 1 753 . 1 1 76 76 LYS CD C 13 28.7 0.1 . 1 . . . . . . . . . 6380 1 754 . 1 1 76 76 LYS HD2 H 1 1.66 0.01 . 1 . . . . . . . . . 6380 1 755 . 1 1 76 76 LYS HD3 H 1 1.66 0.01 . 1 . . . . . . . . . 6380 1 756 . 1 1 76 76 LYS CE C 13 41.7 0.1 . 1 . . . . . . . . . 6380 1 757 . 1 1 76 76 LYS HE2 H 1 2.90 0.01 . 1 . . . . . . . . . 6380 1 758 . 1 1 76 76 LYS HE3 H 1 2.90 0.01 . 1 . . . . . . . . . 6380 1 759 . 1 1 77 77 GLY N N 15 109.5 0.1 . 1 . . . . . . . . . 6380 1 760 . 1 1 77 77 GLY H H 1 8.19 0.01 . 1 . . . . . . . . . 6380 1 761 . 1 1 77 77 GLY CA C 13 45.3 0.1 . 1 . . . . . . . . . 6380 1 762 . 1 1 77 77 GLY HA2 H 1 3.99 0.01 . 2 . . . . . . . . . 6380 1 763 . 1 1 77 77 GLY HA3 H 1 3.87 0.01 . 2 . . . . . . . . . 6380 1 764 . 1 1 78 78 GLU N N 15 119.9 0.1 . 1 . . . . . . . . . 6380 1 765 . 1 1 78 78 GLU H H 1 7.82 0.01 . 1 . . . . . . . . . 6380 1 766 . 1 1 78 78 GLU CA C 13 55.5 0.1 . 1 . . . . . . . . . 6380 1 767 . 1 1 78 78 GLU HA H 1 4.17 0.01 . 1 . . . . . . . . . 6380 1 768 . 1 1 78 78 GLU CB C 13 30.2 0.1 . 1 . . . . . . . . . 6380 1 769 . 1 1 78 78 GLU HB2 H 1 1.62 0.01 . 1 . . . . . . . . . 6380 1 770 . 1 1 78 78 GLU HB3 H 1 1.62 0.01 . 1 . . . . . . . . . 6380 1 771 . 1 1 78 78 GLU CG C 13 34.8 0.1 . 1 . . . . . . . . . 6380 1 772 . 1 1 78 78 GLU HG2 H 1 2.12 0.01 . 1 . . . . . . . . . 6380 1 773 . 1 1 78 78 GLU HG3 H 1 2.12 0.01 . 1 . . . . . . . . . 6380 1 774 . 1 1 79 79 ASN N N 15 120.0 0.1 . 1 . . . . . . . . . 6380 1 775 . 1 1 79 79 ASN H H 1 8.40 0.01 . 1 . . . . . . . . . 6380 1 776 . 1 1 79 79 ASN CA C 13 52.7 0.1 . 1 . . . . . . . . . 6380 1 777 . 1 1 79 79 ASN HA H 1 4.61 0.01 . 1 . . . . . . . . . 6380 1 778 . 1 1 79 79 ASN CB C 13 39.2 0.1 . 1 . . . . . . . . . 6380 1 779 . 1 1 79 79 ASN HB2 H 1 2.69 0.01 . 2 . . . . . . . . . 6380 1 780 . 1 1 79 79 ASN HB3 H 1 2.59 0.01 . 2 . . . . . . . . . 6380 1 781 . 1 1 79 79 ASN ND2 N 15 113.1 0.1 . 1 . . . . . . . . . 6380 1 782 . 1 1 79 79 ASN HD21 H 1 7.52 0.01 . 2 . . . . . . . . . 6380 1 783 . 1 1 79 79 ASN HD22 H 1 6.82 0.01 . 2 . . . . . . . . . 6380 1 784 . 1 1 80 80 PHE N N 15 121.4 0.1 . 1 . . . . . . . . . 6380 1 785 . 1 1 80 80 PHE H H 1 8.47 0.01 . 1 . . . . . . . . . 6380 1 786 . 1 1 80 80 PHE CA C 13 56.6 0.1 . 1 . . . . . . . . . 6380 1 787 . 1 1 80 80 PHE HA H 1 5.25 0.01 . 1 . . . . . . . . . 6380 1 788 . 1 1 80 80 PHE CB C 13 39.5 0.1 . 1 . . . . . . . . . 6380 1 789 . 1 1 80 80 PHE HB2 H 1 2.92 0.01 . 2 . . . . . . . . . 6380 1 790 . 1 1 80 80 PHE HB3 H 1 3.18 0.01 . 2 . . . . . . . . . 6380 1 791 . 1 1 80 80 PHE HD1 H 1 6.89 0.01 . 1 . . . . . . . . . 6380 1 792 . 1 1 80 80 PHE CE1 C 13 133.6 0.1 . 1 . . . . . . . . . 6380 1 793 . 1 1 80 80 PHE HE1 H 1 7.41 0.01 . 1 . . . . . . . . . 6380 1 794 . 1 1 81 81 THR N N 15 116.0 0.1 . 1 . . . . . . . . . 6380 1 795 . 1 1 81 81 THR H H 1 9.61 0.01 . 1 . . . . . . . . . 6380 1 796 . 1 1 81 81 THR CA C 13 60.1 0.1 . 1 . . . . . . . . . 6380 1 797 . 1 1 81 81 THR HA H 1 4.60 0.01 . 1 . . . . . . . . . 6380 1 798 . 1 1 81 81 THR HB H 1 4.80 0.01 . 1 . . . . . . . . . 6380 1 799 . 1 1 81 81 THR HG21 H 1 1.42 0.01 . 1 . . . . . . . . . 6380 1 800 . 1 1 81 81 THR HG22 H 1 1.42 0.01 . 1 . . . . . . . . . 6380 1 801 . 1 1 81 81 THR HG23 H 1 1.42 0.01 . 1 . . . . . . . . . 6380 1 802 . 1 1 81 81 THR CG2 C 13 21.2 0.1 . 1 . . . . . . . . . 6380 1 803 . 1 1 82 82 GLU N N 15 120.1 0.1 . 1 . . . . . . . . . 6380 1 804 . 1 1 82 82 GLU H H 1 9.11 0.01 . 1 . . . . . . . . . 6380 1 805 . 1 1 82 82 GLU CA C 13 59.4 0.1 . 1 . . . . . . . . . 6380 1 806 . 1 1 82 82 GLU HA H 1 4.06 0.01 . 1 . . . . . . . . . 6380 1 807 . 1 1 82 82 GLU CB C 13 28.5 0.1 . 1 . . . . . . . . . 6380 1 808 . 1 1 82 82 GLU HB2 H 1 2.10 0.01 . 2 . . . . . . . . . 6380 1 809 . 1 1 82 82 GLU HB3 H 1 2.05 0.01 . 2 . . . . . . . . . 6380 1 810 . 1 1 82 82 GLU CG C 13 35.0 0.1 . 1 . . . . . . . . . 6380 1 811 . 1 1 82 82 GLU HG2 H 1 2.42 0.01 . 2 . . . . . . . . . 6380 1 812 . 1 1 82 82 GLU HG3 H 1 2.36 0.01 . 2 . . . . . . . . . 6380 1 813 . 1 1 83 83 THR N N 15 116.5 0.1 . 1 . . . . . . . . . 6380 1 814 . 1 1 83 83 THR H H 1 7.95 0.01 . 1 . . . . . . . . . 6380 1 815 . 1 1 83 83 THR CA C 13 66.8 0.1 . 1 . . . . . . . . . 6380 1 816 . 1 1 83 83 THR HA H 1 3.77 0.01 . 1 . . . . . . . . . 6380 1 817 . 1 1 83 83 THR CB C 13 68.4 0.1 . 1 . . . . . . . . . 6380 1 818 . 1 1 83 83 THR HB H 1 3.69 0.01 . 1 . . . . . . . . . 6380 1 819 . 1 1 83 83 THR HG21 H 1 0.69 0.01 . 1 . . . . . . . . . 6380 1 820 . 1 1 83 83 THR HG22 H 1 0.69 0.01 . 1 . . . . . . . . . 6380 1 821 . 1 1 83 83 THR HG23 H 1 0.69 0.01 . 1 . . . . . . . . . 6380 1 822 . 1 1 83 83 THR CG2 C 13 20.5 0.1 . 1 . . . . . . . . . 6380 1 823 . 1 1 84 84 ASP N N 15 120.1 0.1 . 1 . . . . . . . . . 6380 1 824 . 1 1 84 84 ASP H H 1 7.48 0.01 . 1 . . . . . . . . . 6380 1 825 . 1 1 84 84 ASP CA C 13 57.8 0.1 . 1 . . . . . . . . . 6380 1 826 . 1 1 84 84 ASP HA H 1 4.51 0.01 . 1 . . . . . . . . . 6380 1 827 . 1 1 84 84 ASP CB C 13 40.9 0.1 . 1 . . . . . . . . . 6380 1 828 . 1 1 84 84 ASP HB2 H 1 3.36 0.01 . 2 . . . . . . . . . 6380 1 829 . 1 1 84 84 ASP HB3 H 1 2.59 0.01 . 2 . . . . . . . . . 6380 1 830 . 1 1 85 85 VAL N N 15 118.5 0.1 . 1 . . . . . . . . . 6380 1 831 . 1 1 85 85 VAL H H 1 8.27 0.01 . 1 . . . . . . . . . 6380 1 832 . 1 1 85 85 VAL CA C 13 67.5 0.1 . 1 . . . . . . . . . 6380 1 833 . 1 1 85 85 VAL HA H 1 3.25 0.01 . 1 . . . . . . . . . 6380 1 834 . 1 1 85 85 VAL CB C 13 31.4 0.1 . 1 . . . . . . . . . 6380 1 835 . 1 1 85 85 VAL HB H 1 1.93 0.01 . 1 . . . . . . . . . 6380 1 836 . 1 1 85 85 VAL HG11 H 1 0.87 0.01 . 2 . . . . . . . . . 6380 1 837 . 1 1 85 85 VAL HG12 H 1 0.87 0.01 . 2 . . . . . . . . . 6380 1 838 . 1 1 85 85 VAL HG13 H 1 0.87 0.01 . 2 . . . . . . . . . 6380 1 839 . 1 1 85 85 VAL HG21 H 1 0.98 0.01 . 2 . . . . . . . . . 6380 1 840 . 1 1 85 85 VAL HG22 H 1 0.98 0.01 . 2 . . . . . . . . . 6380 1 841 . 1 1 85 85 VAL HG23 H 1 0.98 0.01 . 2 . . . . . . . . . 6380 1 842 . 1 1 85 85 VAL CG1 C 13 20.9 0.1 . 1 . . . . . . . . . 6380 1 843 . 1 1 85 85 VAL CG2 C 13 22.7 0.1 . 1 . . . . . . . . . 6380 1 844 . 1 1 86 86 LYS N N 15 119.3 0.1 . 1 . . . . . . . . . 6380 1 845 . 1 1 86 86 LYS H H 1 7.58 0.01 . 1 . . . . . . . . . 6380 1 846 . 1 1 86 86 LYS CA C 13 58.9 0.1 . 1 . . . . . . . . . 6380 1 847 . 1 1 86 86 LYS HA H 1 4.07 0.01 . 1 . . . . . . . . . 6380 1 848 . 1 1 86 86 LYS CB C 13 31.8 0.1 . 1 . . . . . . . . . 6380 1 849 . 1 1 86 86 LYS HB2 H 1 1.97 0.01 . 2 . . . . . . . . . 6380 1 850 . 1 1 86 86 LYS HB3 H 1 1.93 0.01 . 2 . . . . . . . . . 6380 1 851 . 1 1 86 86 LYS CG C 13 24.5 0.1 . 1 . . . . . . . . . 6380 1 852 . 1 1 86 86 LYS HG2 H 1 1.61 0.01 . 2 . . . . . . . . . 6380 1 853 . 1 1 86 86 LYS HG3 H 1 1.63 0.01 . 2 . . . . . . . . . 6380 1 854 . 1 1 86 86 LYS CD C 13 28.8 0.1 . 1 . . . . . . . . . 6380 1 855 . 1 1 86 86 LYS HD2 H 1 1.59 0.01 . 1 . . . . . . . . . 6380 1 856 . 1 1 86 86 LYS HD3 H 1 1.59 0.01 . 1 . . . . . . . . . 6380 1 857 . 1 1 86 86 LYS CE C 13 41.6 0.1 . 1 . . . . . . . . . 6380 1 858 . 1 1 86 86 LYS HE2 H 1 2.89 0.01 . 1 . . . . . . . . . 6380 1 859 . 1 1 86 86 LYS HE3 H 1 2.89 0.01 . 1 . . . . . . . . . 6380 1 860 . 1 1 87 87 MET N N 15 118.7 0.1 . 1 . . . . . . . . . 6380 1 861 . 1 1 87 87 MET H H 1 8.31 0.01 . 1 . . . . . . . . . 6380 1 862 . 1 1 87 87 MET CA C 13 57.3 0.1 . 1 . . . . . . . . . 6380 1 863 . 1 1 87 87 MET HA H 1 4.00 0.01 . 1 . . . . . . . . . 6380 1 864 . 1 1 87 87 MET CB C 13 32.0 0.1 . 1 . . . . . . . . . 6380 1 865 . 1 1 87 87 MET HB2 H 1 1.81 0.01 . 2 . . . . . . . . . 6380 1 866 . 1 1 87 87 MET HB3 H 1 1.87 0.01 . 2 . . . . . . . . . 6380 1 867 . 1 1 87 87 MET CG C 13 34.0 0.1 . 1 . . . . . . . . . 6380 1 868 . 1 1 87 87 MET HG2 H 1 2.00 0.01 . 2 . . . . . . . . . 6380 1 869 . 1 1 87 87 MET HG3 H 1 2.20 0.01 . 2 . . . . . . . . . 6380 1 870 . 1 1 87 87 MET HE1 H 1 0.73 0.01 . 1 . . . . . . . . . 6380 1 871 . 1 1 87 87 MET HE2 H 1 0.73 0.01 . 1 . . . . . . . . . 6380 1 872 . 1 1 87 87 MET HE3 H 1 0.73 0.01 . 1 . . . . . . . . . 6380 1 873 . 1 1 87 87 MET CE C 13 18.0 0.1 . 1 . . . . . . . . . 6380 1 874 . 1 1 88 88 ILE N N 15 122.2 0.1 . 1 . . . . . . . . . 6380 1 875 . 1 1 88 88 ILE H H 1 9.17 0.01 . 1 . . . . . . . . . 6380 1 876 . 1 1 88 88 ILE CA C 13 61.7 0.1 . 1 . . . . . . . . . 6380 1 877 . 1 1 88 88 ILE HA H 1 3.77 0.01 . 1 . . . . . . . . . 6380 1 878 . 1 1 88 88 ILE CB C 13 37.4 0.1 . 1 . . . . . . . . . 6380 1 879 . 1 1 88 88 ILE HB H 1 2.55 0.01 . 1 . . . . . . . . . 6380 1 880 . 1 1 88 88 ILE HG21 H 1 0.38 0.01 . 1 . . . . . . . . . 6380 1 881 . 1 1 88 88 ILE HG22 H 1 0.38 0.01 . 1 . . . . . . . . . 6380 1 882 . 1 1 88 88 ILE HG23 H 1 0.38 0.01 . 1 . . . . . . . . . 6380 1 883 . 1 1 88 88 ILE HG12 H 1 1.66 0.01 . 1 . . . . . . . . . 6380 1 884 . 1 1 88 88 ILE HG13 H 1 1.66 0.01 . 1 . . . . . . . . . 6380 1 885 . 1 1 89 89 GLU N N 15 116.8 0.1 . 1 . . . . . . . . . 6380 1 886 . 1 1 89 89 GLU H H 1 7.95 0.01 . 1 . . . . . . . . . 6380 1 887 . 1 1 89 89 GLU CA C 13 58.7 0.1 . 1 . . . . . . . . . 6380 1 888 . 1 1 89 89 GLU HA H 1 3.70 0.01 . 1 . . . . . . . . . 6380 1 889 . 1 1 89 89 GLU CB C 13 27.3 0.1 . 1 . . . . . . . . . 6380 1 890 . 1 1 89 89 GLU HB2 H 1 2.07 0.01 . 2 . . . . . . . . . 6380 1 891 . 1 1 89 89 GLU HB3 H 1 2.25 0.01 . 2 . . . . . . . . . 6380 1 892 . 1 1 89 89 GLU CG C 13 33.4 0.1 . 1 . . . . . . . . . 6380 1 893 . 1 1 89 89 GLU HG2 H 1 2.47 0.01 . 2 . . . . . . . . . 6380 1 894 . 1 1 89 89 GLU HG3 H 1 2.66 0.01 . 2 . . . . . . . . . 6380 1 895 . 1 1 90 90 ARG N N 15 119.3 0.1 . 1 . . . . . . . . . 6380 1 896 . 1 1 90 90 ARG H H 1 7.98 0.01 . 1 . . . . . . . . . 6380 1 897 . 1 1 90 90 ARG CA C 13 58.2 0.1 . 1 . . . . . . . . . 6380 1 898 . 1 1 90 90 ARG HA H 1 4.14 0.01 . 1 . . . . . . . . . 6380 1 899 . 1 1 90 90 ARG CB C 13 29.7 0.1 . 1 . . . . . . . . . 6380 1 900 . 1 1 90 90 ARG HB2 H 1 1.82 0.01 . 2 . . . . . . . . . 6380 1 901 . 1 1 90 90 ARG HB3 H 1 2.09 0.01 . 2 . . . . . . . . . 6380 1 902 . 1 1 90 90 ARG CG C 13 26.7 0.1 . 1 . . . . . . . . . 6380 1 903 . 1 1 90 90 ARG HG2 H 1 1.80 0.01 . 2 . . . . . . . . . 6380 1 904 . 1 1 90 90 ARG HG3 H 1 1.78 0.01 . 2 . . . . . . . . . 6380 1 905 . 1 1 90 90 ARG CD C 13 41.8 0.1 . 1 . . . . . . . . . 6380 1 906 . 1 1 90 90 ARG HD2 H 1 3.24 0.01 . 2 . . . . . . . . . 6380 1 907 . 1 1 90 90 ARG HD3 H 1 3.15 0.01 . 2 . . . . . . . . . 6380 1 908 . 1 1 91 91 VAL N N 15 120.3 0.1 . 1 . . . . . . . . . 6380 1 909 . 1 1 91 91 VAL H H 1 8.83 0.01 . 1 . . . . . . . . . 6380 1 910 . 1 1 91 91 VAL CA C 13 65.7 0.1 . 1 . . . . . . . . . 6380 1 911 . 1 1 91 91 VAL HA H 1 3.77 0.01 . 1 . . . . . . . . . 6380 1 912 . 1 1 91 91 VAL CB C 13 31.7 0.1 . 1 . . . . . . . . . 6380 1 913 . 1 1 91 91 VAL HB H 1 2.37 0.01 . 1 . . . . . . . . . 6380 1 914 . 1 1 91 91 VAL HG11 H 1 1.25 0.01 . 2 . . . . . . . . . 6380 1 915 . 1 1 91 91 VAL HG12 H 1 1.25 0.01 . 2 . . . . . . . . . 6380 1 916 . 1 1 91 91 VAL HG13 H 1 1.25 0.01 . 2 . . . . . . . . . 6380 1 917 . 1 1 91 91 VAL HG21 H 1 1.35 0.01 . 2 . . . . . . . . . 6380 1 918 . 1 1 91 91 VAL HG22 H 1 1.35 0.01 . 2 . . . . . . . . . 6380 1 919 . 1 1 91 91 VAL HG23 H 1 1.35 0.01 . 2 . . . . . . . . . 6380 1 920 . 1 1 91 91 VAL CG1 C 13 20.8 0.1 . 1 . . . . . . . . . 6380 1 921 . 1 1 91 91 VAL CG2 C 13 24.0 0.1 . 1 . . . . . . . . . 6380 1 922 . 1 1 92 92 VAL N N 15 121.4 0.1 . 1 . . . . . . . . . 6380 1 923 . 1 1 92 92 VAL H H 1 8.85 0.01 . 1 . . . . . . . . . 6380 1 924 . 1 1 92 92 VAL CA C 13 66.4 0.1 . 1 . . . . . . . . . 6380 1 925 . 1 1 92 92 VAL HA H 1 3.55 0.01 . 1 . . . . . . . . . 6380 1 926 . 1 1 92 92 VAL CB C 13 31.0 0.1 . 1 . . . . . . . . . 6380 1 927 . 1 1 92 92 VAL HB H 1 2.21 0.01 . 1 . . . . . . . . . 6380 1 928 . 1 1 92 92 VAL HG11 H 1 1.19 0.01 . 2 . . . . . . . . . 6380 1 929 . 1 1 92 92 VAL HG12 H 1 1.19 0.01 . 2 . . . . . . . . . 6380 1 930 . 1 1 92 92 VAL HG13 H 1 1.19 0.01 . 2 . . . . . . . . . 6380 1 931 . 1 1 92 92 VAL HG21 H 1 0.91 0.01 . 2 . . . . . . . . . 6380 1 932 . 1 1 92 92 VAL HG22 H 1 0.91 0.01 . 2 . . . . . . . . . 6380 1 933 . 1 1 92 92 VAL HG23 H 1 0.91 0.01 . 2 . . . . . . . . . 6380 1 934 . 1 1 92 92 VAL CG1 C 13 24.2 0.1 . 1 . . . . . . . . . 6380 1 935 . 1 1 92 92 VAL CG2 C 13 24.0 0.1 . 1 . . . . . . . . . 6380 1 936 . 1 1 93 93 GLU N N 15 120.7 0.1 . 1 . . . . . . . . . 6380 1 937 . 1 1 93 93 GLU H H 1 8.31 0.01 . 1 . . . . . . . . . 6380 1 938 . 1 1 93 93 GLU CA C 13 60.3 0.1 . 1 . . . . . . . . . 6380 1 939 . 1 1 93 93 GLU HA H 1 3.59 0.01 . 1 . . . . . . . . . 6380 1 940 . 1 1 93 93 GLU CB C 13 28.2 0.1 . 1 . . . . . . . . . 6380 1 941 . 1 1 93 93 GLU HB2 H 1 2.18 0.01 . 2 . . . . . . . . . 6380 1 942 . 1 1 93 93 GLU HB3 H 1 2.13 0.01 . 2 . . . . . . . . . 6380 1 943 . 1 1 93 93 GLU CG C 13 35.1 0.1 . 1 . . . . . . . . . 6380 1 944 . 1 1 93 93 GLU HG2 H 1 2.14 0.01 . 1 . . . . . . . . . 6380 1 945 . 1 1 93 93 GLU HG3 H 1 2.14 0.01 . 1 . . . . . . . . . 6380 1 946 . 1 1 94 94 GLN N N 15 114.9 0.1 . 1 . . . . . . . . . 6380 1 947 . 1 1 94 94 GLN H H 1 7.36 0.01 . 1 . . . . . . . . . 6380 1 948 . 1 1 94 94 GLN CA C 13 58.8 0.1 . 1 . . . . . . . . . 6380 1 949 . 1 1 94 94 GLN HA H 1 3.95 0.01 . 1 . . . . . . . . . 6380 1 950 . 1 1 94 94 GLN CB C 13 27.7 0.1 . 1 . . . . . . . . . 6380 1 951 . 1 1 94 94 GLN HB2 H 1 2.17 0.01 . 1 . . . . . . . . . 6380 1 952 . 1 1 94 94 GLN HB3 H 1 2.17 0.01 . 1 . . . . . . . . . 6380 1 953 . 1 1 94 94 GLN CG C 13 33.5 0.1 . 1 . . . . . . . . . 6380 1 954 . 1 1 94 94 GLN HG2 H 1 2.43 0.01 . 2 . . . . . . . . . 6380 1 955 . 1 1 94 94 GLN HG3 H 1 2.37 0.01 . 2 . . . . . . . . . 6380 1 956 . 1 1 94 94 GLN NE2 N 15 113.5 0.1 . 1 . . . . . . . . . 6380 1 957 . 1 1 94 94 GLN HE21 H 1 7.50 0.01 . 2 . . . . . . . . . 6380 1 958 . 1 1 94 94 GLN HE22 H 1 6.90 0.01 . 2 . . . . . . . . . 6380 1 959 . 1 1 95 95 MET N N 15 119.5 0.1 . 1 . . . . . . . . . 6380 1 960 . 1 1 95 95 MET H H 1 8.45 0.01 . 1 . . . . . . . . . 6380 1 961 . 1 1 95 95 MET CA C 13 59.7 0.1 . 1 . . . . . . . . . 6380 1 962 . 1 1 95 95 MET HA H 1 4.13 0.01 . 1 . . . . . . . . . 6380 1 963 . 1 1 95 95 MET CB C 13 34.4 0.1 . 1 . . . . . . . . . 6380 1 964 . 1 1 95 95 MET HB2 H 1 2.19 0.01 . 1 . . . . . . . . . 6380 1 965 . 1 1 95 95 MET HB3 H 1 2.19 0.01 . 1 . . . . . . . . . 6380 1 966 . 1 1 95 95 MET CG C 13 32.2 0.1 . 1 . . . . . . . . . 6380 1 967 . 1 1 95 95 MET HG2 H 1 2.44 0.01 . 2 . . . . . . . . . 6380 1 968 . 1 1 95 95 MET HG3 H 1 2.88 0.01 . 2 . . . . . . . . . 6380 1 969 . 1 1 95 95 MET HE1 H 1 1.83 0.01 . 1 . . . . . . . . . 6380 1 970 . 1 1 95 95 MET HE2 H 1 1.83 0.01 . 1 . . . . . . . . . 6380 1 971 . 1 1 95 95 MET HE3 H 1 1.83 0.01 . 1 . . . . . . . . . 6380 1 972 . 1 1 95 95 MET CE C 13 16.0 0.1 . 1 . . . . . . . . . 6380 1 973 . 1 1 96 96 CYS N N 15 119.1 0.1 . 1 . . . . . . . . . 6380 1 974 . 1 1 96 96 CYS H H 1 9.28 0.01 . 1 . . . . . . . . . 6380 1 975 . 1 1 96 96 CYS CA C 13 59.8 0.1 . 1 . . . . . . . . . 6380 1 976 . 1 1 96 96 CYS HA H 1 4.38 0.01 . 1 . . . . . . . . . 6380 1 977 . 1 1 96 96 CYS CB C 13 41.1 0.1 . 1 . . . . . . . . . 6380 1 978 . 1 1 96 96 CYS HB2 H 1 3.53 0.01 . 2 . . . . . . . . . 6380 1 979 . 1 1 96 96 CYS HB3 H 1 2.84 0.01 . 2 . . . . . . . . . 6380 1 980 . 1 1 97 97 ILE N N 15 123.3 0.1 . 1 . . . . . . . . . 6380 1 981 . 1 1 97 97 ILE H H 1 8.14 0.01 . 1 . . . . . . . . . 6380 1 982 . 1 1 97 97 ILE CA C 13 66.2 0.1 . 1 . . . . . . . . . 6380 1 983 . 1 1 97 97 ILE HA H 1 3.48 0.01 . 1 . . . . . . . . . 6380 1 984 . 1 1 97 97 ILE CB C 13 37.8 0.1 . 1 . . . . . . . . . 6380 1 985 . 1 1 97 97 ILE HB H 1 1.98 0.01 . 1 . . . . . . . . . 6380 1 986 . 1 1 97 97 ILE HG21 H 1 0.84 0.01 . 1 . . . . . . . . . 6380 1 987 . 1 1 97 97 ILE HG22 H 1 0.84 0.01 . 1 . . . . . . . . . 6380 1 988 . 1 1 97 97 ILE HG23 H 1 0.84 0.01 . 1 . . . . . . . . . 6380 1 989 . 1 1 97 97 ILE CG2 C 13 16.5 0.1 . 1 . . . . . . . . . 6380 1 990 . 1 1 97 97 ILE CG1 C 13 30.6 0.1 . 1 . . . . . . . . . 6380 1 991 . 1 1 97 97 ILE HG12 H 1 1.97 0.01 . 2 . . . . . . . . . 6380 1 992 . 1 1 97 97 ILE HG13 H 1 0.82 0.01 . 2 . . . . . . . . . 6380 1 993 . 1 1 97 97 ILE HD11 H 1 0.82 0.01 . 1 . . . . . . . . . 6380 1 994 . 1 1 97 97 ILE HD12 H 1 0.82 0.01 . 1 . . . . . . . . . 6380 1 995 . 1 1 97 97 ILE HD13 H 1 0.82 0.01 . 1 . . . . . . . . . 6380 1 996 . 1 1 97 97 ILE CD1 C 13 13.7 0.1 . 1 . . . . . . . . . 6380 1 997 . 1 1 98 98 THR N N 15 118.1 0.1 . 1 . . . . . . . . . 6380 1 998 . 1 1 98 98 THR H H 1 8.06 0.01 . 1 . . . . . . . . . 6380 1 999 . 1 1 98 98 THR CA C 13 66.4 0.1 . 1 . . . . . . . . . 6380 1 1000 . 1 1 98 98 THR HA H 1 3.85 0.01 . 1 . . . . . . . . . 6380 1 1001 . 1 1 98 98 THR CB C 13 68.0 0.1 . 1 . . . . . . . . . 6380 1 1002 . 1 1 98 98 THR HB H 1 4.25 0.01 . 1 . . . . . . . . . 6380 1 1003 . 1 1 98 98 THR HG21 H 1 1.24 0.01 . 1 . . . . . . . . . 6380 1 1004 . 1 1 98 98 THR HG22 H 1 1.24 0.01 . 1 . . . . . . . . . 6380 1 1005 . 1 1 98 98 THR HG23 H 1 1.24 0.01 . 1 . . . . . . . . . 6380 1 1006 . 1 1 98 98 THR CG2 C 13 21.7 0.1 . 1 . . . . . . . . . 6380 1 1007 . 1 1 99 99 GLN N N 15 122.5 0.1 . 1 . . . . . . . . . 6380 1 1008 . 1 1 99 99 GLN H H 1 8.95 0.01 . 1 . . . . . . . . . 6380 1 1009 . 1 1 99 99 GLN CA C 13 58.5 0.1 . 1 . . . . . . . . . 6380 1 1010 . 1 1 99 99 GLN HA H 1 3.61 0.01 . 1 . . . . . . . . . 6380 1 1011 . 1 1 99 99 GLN CB C 13 28.0 0.1 . 1 . . . . . . . . . 6380 1 1012 . 1 1 99 99 GLN HB2 H 1 2.33 0.01 . 2 . . . . . . . . . 6380 1 1013 . 1 1 99 99 GLN HB3 H 1 2.04 0.01 . 2 . . . . . . . . . 6380 1 1014 . 1 1 99 99 GLN CG C 13 32.2 0.1 . 1 . . . . . . . . . 6380 1 1015 . 1 1 99 99 GLN HG2 H 1 1.87 0.01 . 2 . . . . . . . . . 6380 1 1016 . 1 1 99 99 GLN HG3 H 1 1.82 0.01 . 2 . . . . . . . . . 6380 1 1017 . 1 1 99 99 GLN NE2 N 15 114.5 0.1 . 1 . . . . . . . . . 6380 1 1018 . 1 1 99 99 GLN HE21 H 1 7.18 0.01 . 2 . . . . . . . . . 6380 1 1019 . 1 1 99 99 GLN HE22 H 1 6.69 0.01 . 2 . . . . . . . . . 6380 1 1020 . 1 1 100 100 TYR N N 15 119.9 0.1 . 1 . . . . . . . . . 6380 1 1021 . 1 1 100 100 TYR H H 1 8.46 0.01 . 1 . . . . . . . . . 6380 1 1022 . 1 1 100 100 TYR CA C 13 62.2 0.1 . 1 . . . . . . . . . 6380 1 1023 . 1 1 100 100 TYR HA H 1 2.88 0.01 . 1 . . . . . . . . . 6380 1 1024 . 1 1 100 100 TYR CB C 13 36.4 0.1 . 1 . . . . . . . . . 6380 1 1025 . 1 1 100 100 TYR HB2 H 1 2.95 0.01 . 2 . . . . . . . . . 6380 1 1026 . 1 1 100 100 TYR HB3 H 1 2.65 0.01 . 2 . . . . . . . . . 6380 1 1027 . 1 1 100 100 TYR CD1 C 13 132.6 0.1 . 1 . . . . . . . . . 6380 1 1028 . 1 1 100 100 TYR HD1 H 1 6.06 0.01 . 1 . . . . . . . . . 6380 1 1029 . 1 1 100 100 TYR CE1 C 13 117.2 0.1 . 1 . . . . . . . . . 6380 1 1030 . 1 1 100 100 TYR HE1 H 1 6.23 0.01 . 1 . . . . . . . . . 6380 1 1031 . 1 1 101 101 GLN N N 15 118.1 0.1 . 1 . . . . . . . . . 6380 1 1032 . 1 1 101 101 GLN H H 1 7.85 0.01 . 1 . . . . . . . . . 6380 1 1033 . 1 1 101 101 GLN CA C 13 58.7 0.1 . 1 . . . . . . . . . 6380 1 1034 . 1 1 101 101 GLN HA H 1 3.94 0.01 . 1 . . . . . . . . . 6380 1 1035 . 1 1 101 101 GLN CB C 13 28.0 0.1 . 1 . . . . . . . . . 6380 1 1036 . 1 1 101 101 GLN HB2 H 1 2.13 0.01 . 2 . . . . . . . . . 6380 1 1037 . 1 1 101 101 GLN HB3 H 1 2.03 0.01 . 2 . . . . . . . . . 6380 1 1038 . 1 1 101 101 GLN HG2 H 1 2.51 0.01 . 2 . . . . . . . . . 6380 1 1039 . 1 1 101 101 GLN HG3 H 1 2.44 0.01 . 2 . . . . . . . . . 6380 1 1040 . 1 1 101 101 GLN NE2 N 15 111.0 0.1 . 1 . . . . . . . . . 6380 1 1041 . 1 1 101 101 GLN HE21 H 1 7.46 0.01 . 2 . . . . . . . . . 6380 1 1042 . 1 1 101 101 GLN HE22 H 1 6.78 0.01 . 2 . . . . . . . . . 6380 1 1043 . 1 1 102 102 LYS N N 15 120.1 0.1 . 1 . . . . . . . . . 6380 1 1044 . 1 1 102 102 LYS H H 1 7.34 0.01 . 1 . . . . . . . . . 6380 1 1045 . 1 1 102 102 LYS CA C 13 55.2 0.1 . 1 . . . . . . . . . 6380 1 1046 . 1 1 102 102 LYS HA H 1 4.02 0.01 . 1 . . . . . . . . . 6380 1 1047 . 1 1 102 102 LYS HB2 H 1 1.72 0.01 . 2 . . . . . . . . . 6380 1 1048 . 1 1 102 102 LYS HB3 H 1 1.98 0.01 . 2 . . . . . . . . . 6380 1 1049 . 1 1 102 102 LYS HG2 H 1 1.60 0.01 . 2 . . . . . . . . . 6380 1 1050 . 1 1 102 102 LYS HG3 H 1 1.74 0.01 . 2 . . . . . . . . . 6380 1 1051 . 1 1 102 102 LYS HD2 H 1 2.85 0.01 . 2 . . . . . . . . . 6380 1 1052 . 1 1 103 103 GLU N N 15 119.9 0.1 . 1 . . . . . . . . . 6380 1 1053 . 1 1 103 103 GLU H H 1 7.86 0.01 . 1 . . . . . . . . . 6380 1 1054 . 1 1 103 103 GLU CA C 13 57.3 0.1 . 1 . . . . . . . . . 6380 1 1055 . 1 1 103 103 GLU HA H 1 4.17 0.01 . 1 . . . . . . . . . 6380 1 1056 . 1 1 103 103 GLU CB C 13 29.9 0.1 . 1 . . . . . . . . . 6380 1 1057 . 1 1 103 103 GLU HB2 H 1 1.79 0.01 . 1 . . . . . . . . . 6380 1 1058 . 1 1 103 103 GLU HB3 H 1 1.79 0.01 . 1 . . . . . . . . . 6380 1 1059 . 1 1 103 103 GLU CG C 13 35.1 0.1 . 1 . . . . . . . . . 6380 1 1060 . 1 1 103 103 GLU HG2 H 1 2.45 0.01 . 2 . . . . . . . . . 6380 1 1061 . 1 1 103 103 GLU HG3 H 1 2.28 0.01 . 2 . . . . . . . . . 6380 1 1062 . 1 1 104 104 TYR N N 15 115.8 0.1 . 1 . . . . . . . . . 6380 1 1063 . 1 1 104 104 TYR H H 1 7.95 0.01 . 1 . . . . . . . . . 6380 1 1064 . 1 1 104 104 TYR CA C 13 57.4 0.1 . 1 . . . . . . . . . 6380 1 1065 . 1 1 104 104 TYR HA H 1 4.08 0.01 . 1 . . . . . . . . . 6380 1 1066 . 1 1 104 104 TYR HB2 H 1 2.46 0.01 . 2 . . . . . . . . . 6380 1 1067 . 1 1 104 104 TYR HB3 H 1 2.24 0.01 . 2 . . . . . . . . . 6380 1 1068 . 1 1 104 104 TYR CD1 C 13 132.4 0.1 . 1 . . . . . . . . . 6380 1 1069 . 1 1 104 104 TYR HD1 H 1 7.18 0.01 . 1 . . . . . . . . . 6380 1 1070 . 1 1 105 105 GLU N N 15 120.1 0.1 . 1 . . . . . . . . . 6380 1 1071 . 1 1 105 105 GLU H H 1 7.70 0.01 . 1 . . . . . . . . . 6380 1 1072 . 1 1 105 105 GLU HA H 1 4.19 0.01 . 1 . . . . . . . . . 6380 1 1073 . 1 1 105 105 GLU HB2 H 1 1.81 0.01 . 2 . . . . . . . . . 6380 1 1074 . 1 1 105 105 GLU HB3 H 1 1.62 0.01 . 2 . . . . . . . . . 6380 1 1075 . 1 1 105 105 GLU HG2 H 1 3.08 0.01 . 1 . . . . . . . . . 6380 1 1076 . 1 1 105 105 GLU HG3 H 1 3.08 0.01 . 1 . . . . . . . . . 6380 1 1077 . 1 1 106 106 ALA N N 15 121.0 0.1 . 1 . . . . . . . . . 6380 1 1078 . 1 1 106 106 ALA H H 1 7.71 0.01 . 1 . . . . . . . . . 6380 1 1079 . 1 1 106 106 ALA CA C 13 59.2 0.1 . 1 . . . . . . . . . 6380 1 1080 . 1 1 106 106 ALA HA H 1 4.07 0.01 . 1 . . . . . . . . . 6380 1 1081 . 1 1 106 106 ALA HB1 H 1 1.41 0.01 . 1 . . . . . . . . . 6380 1 1082 . 1 1 106 106 ALA HB2 H 1 1.41 0.01 . 1 . . . . . . . . . 6380 1 1083 . 1 1 106 106 ALA HB3 H 1 1.41 0.01 . 1 . . . . . . . . . 6380 1 1084 . 1 1 106 106 ALA CB C 13 17.9 0.1 . 1 . . . . . . . . . 6380 1 1085 . 1 1 107 107 TYR N N 15 119.5 0.1 . 1 . . . . . . . . . 6380 1 1086 . 1 1 107 107 TYR H H 1 7.98 0.01 . 1 . . . . . . . . . 6380 1 1087 . 1 1 107 107 TYR CA C 13 59.8 0.1 . 1 . . . . . . . . . 6380 1 1088 . 1 1 107 107 TYR HA H 1 4.17 0.01 . 1 . . . . . . . . . 6380 1 1089 . 1 1 107 107 TYR CB C 13 38.1 0.1 . 1 . . . . . . . . . 6380 1 1090 . 1 1 107 107 TYR HB2 H 1 2.96 0.01 . 2 . . . . . . . . . 6380 1 1091 . 1 1 107 107 TYR HB3 H 1 2.85 0.01 . 2 . . . . . . . . . 6380 1 1092 . 1 1 107 107 TYR CD1 C 13 131.0 0.1 . 1 . . . . . . . . . 6380 1 1093 . 1 1 107 107 TYR HD1 H 1 6.58 0.01 . 1 . . . . . . . . . 6380 1 1094 . 1 1 107 107 TYR CE1 C 13 117.4 0.1 . 1 . . . . . . . . . 6380 1 1095 . 1 1 107 107 TYR HE1 H 1 6.42 0.01 . 1 . . . . . . . . . 6380 1 1096 . 1 1 108 108 ALA N N 15 122.4 0.1 . 1 . . . . . . . . . 6380 1 1097 . 1 1 108 108 ALA H H 1 8.21 0.01 . 1 . . . . . . . . . 6380 1 1098 . 1 1 108 108 ALA CA C 13 53.8 0.1 . 1 . . . . . . . . . 6380 1 1099 . 1 1 108 108 ALA HA H 1 4.09 0.01 . 1 . . . . . . . . . 6380 1 1100 . 1 1 108 108 ALA HB1 H 1 1.18 0.01 . 1 . . . . . . . . . 6380 1 1101 . 1 1 108 108 ALA HB2 H 1 1.18 0.01 . 1 . . . . . . . . . 6380 1 1102 . 1 1 108 108 ALA HB3 H 1 1.18 0.01 . 1 . . . . . . . . . 6380 1 1103 . 1 1 109 109 GLN N N 15 116.0 0.1 . 1 . . . . . . . . . 6380 1 1104 . 1 1 109 109 GLN H H 1 7.58 0.01 . 1 . . . . . . . . . 6380 1 1105 . 1 1 109 109 GLN CA C 13 55.9 0.1 . 1 . . . . . . . . . 6380 1 1106 . 1 1 109 109 GLN HA H 1 4.17 0.01 . 1 . . . . . . . . . 6380 1 1107 . 1 1 109 109 GLN CB C 13 28.6 0.1 . 1 . . . . . . . . . 6380 1 1108 . 1 1 109 109 GLN HB2 H 1 2.16 0.01 . 2 . . . . . . . . . 6380 1 1109 . 1 1 109 109 GLN HB3 H 1 1.99 0.01 . 2 . . . . . . . . . 6380 1 1110 . 1 1 109 109 GLN CG C 13 33.6 0.1 . 1 . . . . . . . . . 6380 1 1111 . 1 1 109 109 GLN HG2 H 1 2.41 0.01 . 1 . . . . . . . . . 6380 1 1112 . 1 1 109 109 GLN HG3 H 1 2.41 0.01 . 1 . . . . . . . . . 6380 1 1113 . 1 1 109 109 GLN NE2 N 15 112.0 0.1 . 1 . . . . . . . . . 6380 1 1114 . 1 1 109 109 GLN HE21 H 1 7.44 0.01 . 2 . . . . . . . . . 6380 1 1115 . 1 1 109 109 GLN HE22 H 1 6.78 0.01 . 2 . . . . . . . . . 6380 1 1116 . 1 1 110 110 ARG N N 15 120.5 0.1 . 1 . . . . . . . . . 6380 1 1117 . 1 1 110 110 ARG H H 1 7.70 0.01 . 1 . . . . . . . . . 6380 1 1118 . 1 1 110 110 ARG CA C 13 56.8 0.1 . 1 . . . . . . . . . 6380 1 1119 . 1 1 110 110 ARG HA H 1 4.20 0.01 . 1 . . . . . . . . . 6380 1 1120 . 1 1 110 110 ARG CB C 13 30.1 0.1 . 1 . . . . . . . . . 6380 1 1121 . 1 1 110 110 ARG HB2 H 1 1.81 0.01 . 2 . . . . . . . . . 6380 1 1122 . 1 1 110 110 ARG HB3 H 1 1.78 0.01 . 2 . . . . . . . . . 6380 1 1123 . 1 1 110 110 ARG CG C 13 26.8 0.1 . 1 . . . . . . . . . 6380 1 1124 . 1 1 110 110 ARG HG2 H 1 1.62 0.01 . 2 . . . . . . . . . 6380 1 1125 . 1 1 110 110 ARG HG3 H 1 1.60 0.01 . 2 . . . . . . . . . 6380 1 1126 . 1 1 110 110 ARG HD2 H 1 1.61 0.01 . 1 . . . . . . . . . 6380 1 1127 . 1 1 110 110 ARG HD3 H 1 1.61 0.01 . 1 . . . . . . . . . 6380 1 1128 . 1 1 111 111 GLY N N 15 109.3 0.1 . 1 . . . . . . . . . 6380 1 1129 . 1 1 111 111 GLY H H 1 8.19 0.01 . 1 . . . . . . . . . 6380 1 1130 . 1 1 111 111 GLY CA C 13 45.0 0.1 . 1 . . . . . . . . . 6380 1 1131 . 1 1 111 111 GLY HA2 H 1 3.85 0.01 . 1 . . . . . . . . . 6380 1 1132 . 1 1 111 111 GLY HA3 H 1 3.85 0.01 . 1 . . . . . . . . . 6380 1 1133 . 1 1 112 112 ALA N N 15 123.7 0.1 . 1 . . . . . . . . . 6380 1 1134 . 1 1 112 112 ALA H H 1 8.01 0.01 . 1 . . . . . . . . . 6380 1 1135 . 1 1 112 112 ALA CA C 13 51.7 0.1 . 1 . . . . . . . . . 6380 1 1136 . 1 1 112 112 ALA HA H 1 4.33 0.01 . 1 . . . . . . . . . 6380 1 1137 . 1 1 112 112 ALA HB1 H 1 1.37 0.01 . 1 . . . . . . . . . 6380 1 1138 . 1 1 112 112 ALA HB2 H 1 1.37 0.01 . 1 . . . . . . . . . 6380 1 1139 . 1 1 112 112 ALA HB3 H 1 1.37 0.01 . 1 . . . . . . . . . 6380 1 1140 . 1 1 112 112 ALA CB C 13 16.5 0.1 . 1 . . . . . . . . . 6380 1 1141 . 1 1 113 113 SER N N 15 120.5 0.1 . 1 . . . . . . . . . 6380 1 1142 . 1 1 113 113 SER H H 1 7.94 0.01 . 1 . . . . . . . . . 6380 1 1143 . 1 1 113 113 SER CA C 13 59.4 0.1 . 1 . . . . . . . . . 6380 1 1144 . 1 1 113 113 SER HA H 1 4.27 0.01 . 1 . . . . . . . . . 6380 1 1145 . 1 1 113 113 SER HB2 H 1 3.85 0.01 . 1 . . . . . . . . . 6380 1 1146 . 1 1 113 113 SER HB3 H 1 3.85 0.01 . 1 . . . . . . . . . 6380 1 stop_ save_