data_50544 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50544 _Entry.Title ; 1H, 13C, 15N backbone and side-chain resonance assignments of the G131V pathogenic mutant of human prion protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-11-04 _Entry.Accession_date 2020-11-04 _Entry.Last_release_date 2020-11-04 _Entry.Original_release_date 2020-11-04 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID 1 _Entry.Generated_software_label $software_1 _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details 'The resonance assignment of the 1H, 13C, 15N backbone and side-chain of HuPrP (G131V)' _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 Qiaodong Zhang . Q. . . 50544 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50544 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 493 50544 '15N chemical shifts' 123 50544 '1H chemical shifts' 650 50544 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 3 . . 2021-12-09 2020-11-04 update BMRB 'update entry citation' 50544 2 . . 2021-03-24 2020-11-04 update author 'update assignments' 50544 1 . . 2020-12-02 2020-11-04 original author 'original release' 50544 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50544 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 33871829 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; 1H, 13C, 15N backbone and side-chain resonance assignments of the pathogenic G131V mutant of human prion protein (91-231) ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 15 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1874-270X _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 311 _Citation.Page_last 316 _Citation.Year 2021 _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 Qiaodong Zhang Q. . . . 50544 1 2 Haoran Zhang H. . . . 50544 1 3 Fengyu Zheng F. . . . 50544 1 4 Rong Liu R. . . . 50544 1 5 Xinli Liao X. . . . 50544 1 6 Chenyun Guo C. . . . 50544 1 7 Donghai Lin D. . . . 50544 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50544 _Assembly.ID 1 _Assembly.Name 'HUPRP G131V(91-231)' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state no _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'HUPRP G131V(91-231)' 1 $entity_1 . . yes native no no . . . 50544 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 90 90 SG . 1 . 1 CYS 125 125 SG . . . . . . . . . . . . 50544 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50544 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 ; MQGGGTHSQWNKPSKPKTNM KHMAGAAAAGAVVGGLGGYM LVSAMSRPIIHFGSDYEDRY YRENMHRYPNQVYYRPMYEY SNQNNFVHDCVNITIKQHTV TTTTKGENFTETDVKMMERV VEQMCITQYERESQAYYQRG SS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 142 _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 . _Entity.DB_query_revised_last_date . 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 90 MET . 50544 1 2 91 GLN . 50544 1 3 92 GLY . 50544 1 4 93 GLY . 50544 1 5 94 GLY . 50544 1 6 95 THR . 50544 1 7 96 HIS . 50544 1 8 97 SER . 50544 1 9 98 GLN . 50544 1 10 99 TRP . 50544 1 11 100 ASN . 50544 1 12 101 LYS . 50544 1 13 102 PRO . 50544 1 14 103 SER . 50544 1 15 104 LYS . 50544 1 16 105 PRO . 50544 1 17 106 LYS . 50544 1 18 107 THR . 50544 1 19 108 ASN . 50544 1 20 109 MET . 50544 1 21 110 LYS . 50544 1 22 111 HIS . 50544 1 23 112 MET . 50544 1 24 113 ALA . 50544 1 25 114 GLY . 50544 1 26 115 ALA . 50544 1 27 116 ALA . 50544 1 28 117 ALA . 50544 1 29 118 ALA . 50544 1 30 119 GLY . 50544 1 31 120 ALA . 50544 1 32 121 VAL . 50544 1 33 122 VAL . 50544 1 34 123 GLY . 50544 1 35 124 GLY . 50544 1 36 125 LEU . 50544 1 37 126 GLY . 50544 1 38 127 GLY . 50544 1 39 128 TYR . 50544 1 40 129 MET . 50544 1 41 130 LEU . 50544 1 42 131 VAL . 50544 1 43 132 SER . 50544 1 44 133 ALA . 50544 1 45 134 MET . 50544 1 46 135 SER . 50544 1 47 136 ARG . 50544 1 48 137 PRO . 50544 1 49 138 ILE . 50544 1 50 139 ILE . 50544 1 51 140 HIS . 50544 1 52 141 PHE . 50544 1 53 142 GLY . 50544 1 54 143 SER . 50544 1 55 144 ASP . 50544 1 56 145 TYR . 50544 1 57 146 GLU . 50544 1 58 147 ASP . 50544 1 59 148 ARG . 50544 1 60 149 TYR . 50544 1 61 150 TYR . 50544 1 62 151 ARG . 50544 1 63 152 GLU . 50544 1 64 153 ASN . 50544 1 65 154 MET . 50544 1 66 155 HIS . 50544 1 67 156 ARG . 50544 1 68 157 TYR . 50544 1 69 158 PRO . 50544 1 70 159 ASN . 50544 1 71 160 GLN . 50544 1 72 161 VAL . 50544 1 73 162 TYR . 50544 1 74 163 TYR . 50544 1 75 164 ARG . 50544 1 76 165 PRO . 50544 1 77 166 MET . 50544 1 78 167 TYR . 50544 1 79 168 GLU . 50544 1 80 169 TYR . 50544 1 81 170 SER . 50544 1 82 171 ASN . 50544 1 83 172 GLN . 50544 1 84 173 ASN . 50544 1 85 174 ASN . 50544 1 86 175 PHE . 50544 1 87 176 VAL . 50544 1 88 177 HIS . 50544 1 89 178 ASP . 50544 1 90 179 CYS . 50544 1 91 180 VAL . 50544 1 92 181 ASN . 50544 1 93 182 ILE . 50544 1 94 183 THR . 50544 1 95 184 ILE . 50544 1 96 185 LYS . 50544 1 97 186 GLN . 50544 1 98 187 HIS . 50544 1 99 188 THR . 50544 1 100 189 VAL . 50544 1 101 190 THR . 50544 1 102 191 THR . 50544 1 103 192 THR . 50544 1 104 193 THR . 50544 1 105 194 LYS . 50544 1 106 195 GLY . 50544 1 107 196 GLU . 50544 1 108 197 ASN . 50544 1 109 198 PHE . 50544 1 110 199 THR . 50544 1 111 200 GLU . 50544 1 112 201 THR . 50544 1 113 202 ASP . 50544 1 114 203 VAL . 50544 1 115 204 LYS . 50544 1 116 205 MET . 50544 1 117 206 MET . 50544 1 118 207 GLU . 50544 1 119 208 ARG . 50544 1 120 209 VAL . 50544 1 121 210 VAL . 50544 1 122 211 GLU . 50544 1 123 212 GLN . 50544 1 124 213 MET . 50544 1 125 214 CYS . 50544 1 126 215 ILE . 50544 1 127 216 THR . 50544 1 128 217 GLN . 50544 1 129 218 TYR . 50544 1 130 219 GLU . 50544 1 131 220 ARG . 50544 1 132 221 GLU . 50544 1 133 222 SER . 50544 1 134 223 GLN . 50544 1 135 224 ALA . 50544 1 136 225 TYR . 50544 1 137 226 TYR . 50544 1 138 227 GLN . 50544 1 139 228 ARG . 50544 1 140 229 GLY . 50544 1 141 230 SER . 50544 1 142 231 SER . 50544 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 . MET 1 1 50544 1 . GLN 2 2 50544 1 . GLY 3 3 50544 1 . GLY 4 4 50544 1 . GLY 5 5 50544 1 . THR 6 6 50544 1 . HIS 7 7 50544 1 . SER 8 8 50544 1 . GLN 9 9 50544 1 . TRP 10 10 50544 1 . ASN 11 11 50544 1 . LYS 12 12 50544 1 . PRO 13 13 50544 1 . SER 14 14 50544 1 . LYS 15 15 50544 1 . PRO 16 16 50544 1 . LYS 17 17 50544 1 . THR 18 18 50544 1 . ASN 19 19 50544 1 . MET 20 20 50544 1 . LYS 21 21 50544 1 . HIS 22 22 50544 1 . MET 23 23 50544 1 . ALA 24 24 50544 1 . GLY 25 25 50544 1 . ALA 26 26 50544 1 . ALA 27 27 50544 1 . ALA 28 28 50544 1 . ALA 29 29 50544 1 . GLY 30 30 50544 1 . ALA 31 31 50544 1 . VAL 32 32 50544 1 . VAL 33 33 50544 1 . GLY 34 34 50544 1 . GLY 35 35 50544 1 . LEU 36 36 50544 1 . GLY 37 37 50544 1 . GLY 38 38 50544 1 . TYR 39 39 50544 1 . MET 40 40 50544 1 . LEU 41 41 50544 1 . VAL 42 42 50544 1 . SER 43 43 50544 1 . ALA 44 44 50544 1 . MET 45 45 50544 1 . SER 46 46 50544 1 . ARG 47 47 50544 1 . PRO 48 48 50544 1 . ILE 49 49 50544 1 . ILE 50 50 50544 1 . HIS 51 51 50544 1 . PHE 52 52 50544 1 . GLY 53 53 50544 1 . SER 54 54 50544 1 . ASP 55 55 50544 1 . TYR 56 56 50544 1 . GLU 57 57 50544 1 . ASP 58 58 50544 1 . ARG 59 59 50544 1 . TYR 60 60 50544 1 . TYR 61 61 50544 1 . ARG 62 62 50544 1 . GLU 63 63 50544 1 . ASN 64 64 50544 1 . MET 65 65 50544 1 . HIS 66 66 50544 1 . ARG 67 67 50544 1 . TYR 68 68 50544 1 . PRO 69 69 50544 1 . ASN 70 70 50544 1 . GLN 71 71 50544 1 . VAL 72 72 50544 1 . TYR 73 73 50544 1 . TYR 74 74 50544 1 . ARG 75 75 50544 1 . PRO 76 76 50544 1 . MET 77 77 50544 1 . TYR 78 78 50544 1 . GLU 79 79 50544 1 . TYR 80 80 50544 1 . SER 81 81 50544 1 . ASN 82 82 50544 1 . GLN 83 83 50544 1 . ASN 84 84 50544 1 . ASN 85 85 50544 1 . PHE 86 86 50544 1 . VAL 87 87 50544 1 . HIS 88 88 50544 1 . ASP 89 89 50544 1 . CYS 90 90 50544 1 . VAL 91 91 50544 1 . ASN 92 92 50544 1 . ILE 93 93 50544 1 . THR 94 94 50544 1 . ILE 95 95 50544 1 . LYS 96 96 50544 1 . GLN 97 97 50544 1 . HIS 98 98 50544 1 . THR 99 99 50544 1 . VAL 100 100 50544 1 . THR 101 101 50544 1 . THR 102 102 50544 1 . THR 103 103 50544 1 . THR 104 104 50544 1 . LYS 105 105 50544 1 . GLY 106 106 50544 1 . GLU 107 107 50544 1 . ASN 108 108 50544 1 . PHE 109 109 50544 1 . THR 110 110 50544 1 . GLU 111 111 50544 1 . THR 112 112 50544 1 . ASP 113 113 50544 1 . VAL 114 114 50544 1 . LYS 115 115 50544 1 . MET 116 116 50544 1 . MET 117 117 50544 1 . GLU 118 118 50544 1 . ARG 119 119 50544 1 . VAL 120 120 50544 1 . VAL 121 121 50544 1 . GLU 122 122 50544 1 . GLN 123 123 50544 1 . MET 124 124 50544 1 . CYS 125 125 50544 1 . ILE 126 126 50544 1 . THR 127 127 50544 1 . GLN 128 128 50544 1 . TYR 129 129 50544 1 . GLU 130 130 50544 1 . ARG 131 131 50544 1 . GLU 132 132 50544 1 . SER 133 133 50544 1 . GLN 134 134 50544 1 . ALA 135 135 50544 1 . TYR 136 136 50544 1 . TYR 137 137 50544 1 . GLN 138 138 50544 1 . ARG 139 139 50544 1 . GLY 140 140 50544 1 . SER 141 141 50544 1 . SER 142 142 50544 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 50544 _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 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 50544 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 50544 _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 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . 50544 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50544 _Sample.ID 1 _Sample.Name 'HuPrP G131V(91-231)' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity_1 '[U-100% 15N]' . . 1 $entity_1 . . 0.65 . . mM . . . . 50544 1 2 entity_1 '[U-100% 13C]' . . 1 $entity_1 . . 0.65 . . mM . . . . 50544 1 3 D2O '[U-100% 2H]' . . . . . . 0.05 . . mM . . . . 50544 1 4 NaAc 'natural abundance' . . . . . . 20 . . mM . . . . 50544 1 5 NaN3 'natural abundance' . . . . . . 0.02 . . % . . . . 50544 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 50544 _Sample_condition_list.ID 1 _Sample_condition_list.Name '20 mM NaAc, 0.02% NaN3, 10% D2O, pH 4.5' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.00065 . M 50544 1 pH 4.5 . pH 50544 1 pressure 1 . atm 50544 1 temperature 277 . K 50544 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50544 _Software.ID 1 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 50544 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 50544 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker Avance III 850-MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 50544 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50544 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50544 1 3 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50544 1 4 '3D CBCACONH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50544 1 5 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50544 1 6 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50544 1 7 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50544 1 8 '3D HNCACO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50544 1 9 '3D HBHA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50544 1 10 '3D H(CCO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50544 1 11 '3D CCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50544 1 12 '3D HCCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50544 1 13 '3D 1H-15N TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50544 1 14 '3D 15N-separated NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50544 1 15 '3D 13C-separated NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50544 1 stop_ save_ save_computing_platform_1 _Computing_platform.Sf_category computing_platform _Computing_platform.Sf_framecode computing_platform_1 _Computing_platform.Entry_ID 50544 _Computing_platform.ID 1 _Computing_platform.Name NMRbox _Computing_platform.Reference_ID . _Computing_platform.Site xiamendaxue _Computing_platform.Site_reference_ID . _Computing_platform.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 50544 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 1H,13C,15N _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 glucose 'methyl carbons' . . . . ppm 42.5 internal direct 1 . . . . . 50544 1 H 1 water 'methyl protons' . . . . ppm 4.7 internal direct 1 . . . . . 50544 1 N 15 '[15N] ammonium chloride' nitrogen . . . . ppm 118 internal direct 1 . . . . . 50544 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 50544 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'huprp g131v (91-231)' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 11 '3D CCH-TOCSY' . . . 50544 1 12 '3D HCCH-TOCSY' . . . 50544 1 14 '3D 15N-separated NOESY' . . . 50544 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 50544 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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 MET HA H 1 4.050 0.00 . . . . . . . 90 MET HA . 50544 1 2 . 1 . 1 1 1 MET HB2 H 1 2.061 0.00 . . . . . . . 90 MET HB2 . 50544 1 3 . 1 . 1 1 1 MET HG2 H 1 2.485 0.00 . . . . . . . 90 MET HG2 . 50544 1 4 . 1 . 1 1 1 MET C C 13 169.533 0.01 . . . . . . . 90 MET C . 50544 1 5 . 1 . 1 1 1 MET CA C 13 52.271 0.04 . . . . . . . 90 MET CA . 50544 1 6 . 1 . 1 1 1 MET CB C 13 30.006 0.04 . . . . . . . 90 MET CB . 50544 1 7 . 1 . 1 1 1 MET CG C 13 27.921 0.02 . . . . . . . 90 MET CG . 50544 1 8 . 1 . 1 2 2 GLN H H 1 8.780 0.00 . . . . . . . 91 GLN H . 50544 1 9 . 1 . 1 2 2 GLN HA H 1 4.327 0.00 . . . . . . . 91 GLN HA . 50544 1 10 . 1 . 1 2 2 GLN HB2 H 1 1.965 0.00 . . . . . . . 91 GLN HB2 . 50544 1 11 . 1 . 1 2 2 GLN HG2 H 1 2.293 0.00 . . . . . . . 91 GLN HG2 . 50544 1 12 . 1 . 1 2 2 GLN C C 13 173.293 0.01 . . . . . . . 91 GLN C . 50544 1 13 . 1 . 1 2 2 GLN CA C 13 53.357 0.04 . . . . . . . 91 GLN CA . 50544 1 14 . 1 . 1 2 2 GLN CB C 13 26.708 0.03 . . . . . . . 91 GLN CB . 50544 1 15 . 1 . 1 2 2 GLN CG C 13 30.825 0.05 . . . . . . . 91 GLN CG . 50544 1 16 . 1 . 1 2 2 GLN N N 15 123.706 0.01 . . . . . . . 91 GLN N . 50544 1 17 . 1 . 1 3 3 GLY H H 1 8.553 0.00 . . . . . . . 92 GLY H . 50544 1 18 . 1 . 1 3 3 GLY HA2 H 1 3.904 0.00 . . . . . . . 92 GLY HA2 . 50544 1 19 . 1 . 1 3 3 GLY C C 13 171.879 0.06 . . . . . . . 92 GLY C . 50544 1 20 . 1 . 1 3 3 GLY CA C 13 42.500 0.02 . . . . . . . 92 GLY CA . 50544 1 21 . 1 . 1 3 3 GLY N N 15 111.381 0.01 . . . . . . . 92 GLY N . 50544 1 22 . 1 . 1 4 4 GLY H H 1 8.289 0.00 . . . . . . . 93 GLY H . 50544 1 23 . 1 . 1 4 4 GLY HA2 H 1 3.912 0.00 . . . . . . . 93 GLY HA2 . 50544 1 24 . 1 . 1 4 4 GLY C C 13 171.939 0.00 . . . . . . . 93 GLY C . 50544 1 25 . 1 . 1 4 4 GLY CA C 13 42.490 0.01 . . . . . . . 93 GLY CA . 50544 1 26 . 1 . 1 4 4 GLY N N 15 108.615 0.01 . . . . . . . 93 GLY N . 50544 1 27 . 1 . 1 5 5 GLY HA2 H 1 3.910 0.00 . . . . . . . 94 GLY HA2 . 50544 1 28 . 1 . 1 5 5 GLY C C 13 171.787 0.00 . . . . . . . 94 GLY C . 50544 1 29 . 1 . 1 5 5 GLY CA C 13 42.424 0.02 . . . . . . . 94 GLY CA . 50544 1 30 . 1 . 1 6 6 THR H H 1 8.047 0.00 . . . . . . . 95 THR H . 50544 1 31 . 1 . 1 6 6 THR HA H 1 4.199 0.01 . . . . . . . 95 THR HA . 50544 1 32 . 1 . 1 6 6 THR HB H 1 4.071 0.00 . . . . . . . 95 THR HB . 50544 1 33 . 1 . 1 6 6 THR HG21 H 1 1.058 0.00 . . . . . . . 95 THR HG21 . 50544 1 34 . 1 . 1 6 6 THR HG22 H 1 1.058 0.00 . . . . . . . 95 THR HG21 . 50544 1 35 . 1 . 1 6 6 THR HG23 H 1 1.058 0.00 . . . . . . . 95 THR HG21 . 50544 1 36 . 1 . 1 6 6 THR C C 13 171.935 0.03 . . . . . . . 95 THR C . 50544 1 37 . 1 . 1 6 6 THR CA C 13 59.252 0.03 . . . . . . . 95 THR CA . 50544 1 38 . 1 . 1 6 6 THR CB C 13 66.940 0.06 . . . . . . . 95 THR CB . 50544 1 39 . 1 . 1 6 6 THR CG2 C 13 18.666 0.01 . . . . . . . 95 THR CG2 . 50544 1 40 . 1 . 1 6 6 THR N N 15 113.317 0.01 . . . . . . . 95 THR N . 50544 1 41 . 1 . 1 7 7 HIS H H 1 8.497 0.00 . . . . . . . 96 HIS H . 50544 1 42 . 1 . 1 7 7 HIS HA H 1 4.633 0.01 . . . . . . . 96 HIS HA . 50544 1 43 . 1 . 1 7 7 HIS HB2 H 1 3.138 0.01 . . . . . . . 96 HIS HB2 . 50544 1 44 . 1 . 1 7 7 HIS HB3 H 1 3.043 0.00 . . . . . . . 96 HIS HB3 . 50544 1 45 . 1 . 1 7 7 HIS C C 13 171.775 0.01 . . . . . . . 96 HIS C . 50544 1 46 . 1 . 1 7 7 HIS CA C 13 52.465 0.04 . . . . . . . 96 HIS CA . 50544 1 47 . 1 . 1 7 7 HIS CB C 13 26.131 0.10 . . . . . . . 96 HIS CB . 50544 1 48 . 1 . 1 7 7 HIS N N 15 120.495 0.01 . . . . . . . 96 HIS N . 50544 1 49 . 1 . 1 8 8 SER H H 1 8.233 0.00 . . . . . . . 97 SER H . 50544 1 50 . 1 . 1 8 8 SER HA H 1 4.289 0.00 . . . . . . . 97 SER HA . 50544 1 51 . 1 . 1 8 8 SER HB2 H 1 3.689 0.00 . . . . . . . 97 SER HB2 . 50544 1 52 . 1 . 1 8 8 SER C C 13 171.762 0.01 . . . . . . . 97 SER C . 50544 1 53 . 1 . 1 8 8 SER CA C 13 55.788 0.03 . . . . . . . 97 SER CA . 50544 1 54 . 1 . 1 8 8 SER CB C 13 60.988 0.07 . . . . . . . 97 SER CB . 50544 1 55 . 1 . 1 8 8 SER N N 15 116.934 0.01 . . . . . . . 97 SER N . 50544 1 56 . 1 . 1 9 9 GLN H H 1 8.394 0.00 . . . . . . . 98 GLN H . 50544 1 57 . 1 . 1 9 9 GLN HA H 1 4.190 0.00 . . . . . . . 98 GLN HA . 50544 1 58 . 1 . 1 9 9 GLN HB2 H 1 1.808 0.01 . . . . . . . 98 GLN HB2 . 50544 1 59 . 1 . 1 9 9 GLN HG2 H 1 2.070 0.00 . . . . . . . 98 GLN HG2 . 50544 1 60 . 1 . 1 9 9 GLN C C 13 172.876 0.00 . . . . . . . 98 GLN C . 50544 1 61 . 1 . 1 9 9 GLN CA C 13 53.309 0.03 . . . . . . . 98 GLN CA . 50544 1 62 . 1 . 1 9 9 GLN CB C 13 26.478 0.11 . . . . . . . 98 GLN CB . 50544 1 63 . 1 . 1 9 9 GLN CG C 13 30.678 0.00 . . . . . . . 98 GLN CG . 50544 1 64 . 1 . 1 9 9 GLN N N 15 122.018 0.02 . . . . . . . 98 GLN N . 50544 1 65 . 1 . 1 10 10 TRP H H 1 8.041 0.00 . . . . . . . 99 TRP H . 50544 1 66 . 1 . 1 10 10 TRP HA H 1 4.587 0.01 . . . . . . . 99 TRP HA . 50544 1 67 . 1 . 1 10 10 TRP HB2 H 1 3.199 0.00 . . . . . . . 99 TRP HB2 . 50544 1 68 . 1 . 1 10 10 TRP HB3 H 1 3.099 0.00 . . . . . . . 99 TRP HB3 . 50544 1 69 . 1 . 1 10 10 TRP HE1 H 1 10.021 0.00 . . . . . . . 99 TRP HE1 . 50544 1 70 . 1 . 1 10 10 TRP C C 13 172.990 0.02 . . . . . . . 99 TRP C . 50544 1 71 . 1 . 1 10 10 TRP CA C 13 54.376 0.03 . . . . . . . 99 TRP CA . 50544 1 72 . 1 . 1 10 10 TRP CB C 13 26.721 0.08 . . . . . . . 99 TRP CB . 50544 1 73 . 1 . 1 10 10 TRP N N 15 121.724 0.01 . . . . . . . 99 TRP N . 50544 1 74 . 1 . 1 10 10 TRP NE1 N 15 129.143 0.00 . . . . . . . 99 TRP NE1 . 50544 1 75 . 1 . 1 11 11 ASN H H 1 8.037 0.00 . . . . . . . 100 ASN H . 50544 1 76 . 1 . 1 11 11 ASN HA H 1 4.513 0.00 . . . . . . . 100 ASN HA . 50544 1 77 . 1 . 1 11 11 ASN HB2 H 1 2.463 0.00 . . . . . . . 100 ASN HB2 . 50544 1 78 . 1 . 1 11 11 ASN C C 13 171.462 0.00 . . . . . . . 100 ASN C . 50544 1 79 . 1 . 1 11 11 ASN CA C 13 50.003 0.03 . . . . . . . 100 ASN CA . 50544 1 80 . 1 . 1 11 11 ASN CB C 13 36.086 0.02 . . . . . . . 100 ASN CB . 50544 1 81 . 1 . 1 11 11 ASN N N 15 120.587 0.01 . . . . . . . 100 ASN N . 50544 1 82 . 1 . 1 12 12 LYS H H 1 7.916 0.00 . . . . . . . 101 LYS H . 50544 1 83 . 1 . 1 12 12 LYS HA H 1 4.341 0.00 . . . . . . . 101 LYS HA . 50544 1 84 . 1 . 1 12 12 LYS HB2 H 1 1.667 0.00 . . . . . . . 101 LYS HB2 . 50544 1 85 . 1 . 1 12 12 LYS HB3 H 1 1.533 0.00 . . . . . . . 101 LYS HB3 . 50544 1 86 . 1 . 1 12 12 LYS HG2 H 1 1.311 0.00 . . . . . . . 101 LYS HG2 . 50544 1 87 . 1 . 1 12 12 LYS HG3 H 1 1.273 0.00 . . . . . . . 101 LYS HG3 . 50544 1 88 . 1 . 1 12 12 LYS HD2 H 1 1.563 0.00 . . . . . . . 101 LYS HD2 . 50544 1 89 . 1 . 1 12 12 LYS HE2 H 1 2.867 0.00 . . . . . . . 101 LYS HE2 . 50544 1 90 . 1 . 1 12 12 LYS C C 13 171.521 0.00 . . . . . . . 101 LYS C . 50544 1 91 . 1 . 1 12 12 LYS CA C 13 51.457 0.03 . . . . . . . 101 LYS CA . 50544 1 92 . 1 . 1 12 12 LYS CB C 13 29.740 0.03 . . . . . . . 101 LYS CB . 50544 1 93 . 1 . 1 12 12 LYS CG C 13 21.725 0.00 . . . . . . . 101 LYS CG . 50544 1 94 . 1 . 1 12 12 LYS CD C 13 26.493 0.01 . . . . . . . 101 LYS CD . 50544 1 95 . 1 . 1 12 12 LYS CE C 13 39.451 0.02 . . . . . . . 101 LYS CE . 50544 1 96 . 1 . 1 12 12 LYS N N 15 122.581 0.01 . . . . . . . 101 LYS N . 50544 1 97 . 1 . 1 13 13 PRO HA H 1 4.334 0.00 . . . . . . . 102 PRO HA . 50544 1 98 . 1 . 1 13 13 PRO HB2 H 1 2.194 0.00 . . . . . . . 102 PRO HB2 . 50544 1 99 . 1 . 1 13 13 PRO HB3 H 1 1.804 0.00 . . . . . . . 102 PRO HB3 . 50544 1 100 . 1 . 1 13 13 PRO HD2 H 1 3.689 0.00 . . . . . . . 102 PRO HD2 . 50544 1 101 . 1 . 1 13 13 PRO HD3 H 1 3.529 0.00 . . . . . . . 102 PRO HD3 . 50544 1 102 . 1 . 1 13 13 PRO C C 13 174.180 0.00 . . . . . . . 102 PRO C . 50544 1 103 . 1 . 1 13 13 PRO CA C 13 60.310 0.08 . . . . . . . 102 PRO CA . 50544 1 104 . 1 . 1 13 13 PRO CB C 13 29.275 0.01 . . . . . . . 102 PRO CB . 50544 1 105 . 1 . 1 13 13 PRO CG C 13 24.466 0.00 . . . . . . . 102 PRO CG . 50544 1 106 . 1 . 1 13 13 PRO CD C 13 47.889 0.06 . . . . . . . 102 PRO CD . 50544 1 107 . 1 . 1 14 14 SER H H 1 8.344 0.00 . . . . . . . 103 SER H . 50544 1 108 . 1 . 1 14 14 SER HA H 1 4.339 0.00 . . . . . . . 103 SER HA . 50544 1 109 . 1 . 1 14 14 SER HB2 H 1 3.740 0.00 . . . . . . . 103 SER HB2 . 50544 1 110 . 1 . 1 14 14 SER C C 13 171.378 0.00 . . . . . . . 103 SER C . 50544 1 111 . 1 . 1 14 14 SER CA C 13 55.328 0.03 . . . . . . . 103 SER CA . 50544 1 112 . 1 . 1 14 14 SER CB C 13 61.257 0.05 . . . . . . . 103 SER CB . 50544 1 113 . 1 . 1 14 14 SER N N 15 116.786 0.01 . . . . . . . 103 SER N . 50544 1 114 . 1 . 1 15 15 LYS H H 1 8.243 0.00 . . . . . . . 104 LYS H . 50544 1 115 . 1 . 1 15 15 LYS HA H 1 4.524 0.00 . . . . . . . 104 LYS HA . 50544 1 116 . 1 . 1 15 15 LYS HG2 H 1 1.380 0.00 . . . . . . . 104 LYS HG2 . 50544 1 117 . 1 . 1 15 15 LYS HG3 H 1 1.349 0.00 . . . . . . . 104 LYS HG3 . 50544 1 118 . 1 . 1 15 15 LYS HD2 H 1 1.593 0.00 . . . . . . . 104 LYS HD2 . 50544 1 119 . 1 . 1 15 15 LYS HE2 H 1 2.899 0.00 . . . . . . . 104 LYS HE2 . 50544 1 120 . 1 . 1 15 15 LYS C C 13 171.636 0.00 . . . . . . . 104 LYS C . 50544 1 121 . 1 . 1 15 15 LYS CA C 13 51.488 0.06 . . . . . . . 104 LYS CA . 50544 1 122 . 1 . 1 15 15 LYS CB C 13 29.851 0.03 . . . . . . . 104 LYS CB . 50544 1 123 . 1 . 1 15 15 LYS CG C 13 21.778 0.00 . . . . . . . 104 LYS CG . 50544 1 124 . 1 . 1 15 15 LYS CD C 13 26.488 0.02 . . . . . . . 104 LYS CD . 50544 1 125 . 1 . 1 15 15 LYS CE C 13 39.471 0.00 . . . . . . . 104 LYS CE . 50544 1 126 . 1 . 1 15 15 LYS N N 15 124.028 0.01 . . . . . . . 104 LYS N . 50544 1 127 . 1 . 1 16 16 PRO HA H 1 4.310 0.00 . . . . . . . 105 PRO HA . 50544 1 128 . 1 . 1 16 16 PRO HB2 H 1 2.189 0.00 . . . . . . . 105 PRO HB2 . 50544 1 129 . 1 . 1 16 16 PRO HB3 H 1 1.796 0.01 . . . . . . . 105 PRO HB3 . 50544 1 130 . 1 . 1 16 16 PRO HD3 H 1 3.526 0.00 . . . . . . . 105 PRO HD3 . 50544 1 131 . 1 . 1 16 16 PRO C C 13 174.104 0.00 . . . . . . . 105 PRO C . 50544 1 132 . 1 . 1 16 16 PRO CA C 13 60.234 0.07 . . . . . . . 105 PRO CA . 50544 1 133 . 1 . 1 16 16 PRO CB C 13 29.351 0.00 . . . . . . . 105 PRO CB . 50544 1 134 . 1 . 1 16 16 PRO CG C 13 24.466 0.00 . . . . . . . 105 PRO CG . 50544 1 135 . 1 . 1 16 16 PRO CD C 13 47.836 0.00 . . . . . . . 105 PRO CD . 50544 1 136 . 1 . 1 17 17 LYS H H 1 8.437 0.00 . . . . . . . 106 LYS H . 50544 1 137 . 1 . 1 17 17 LYS HA H 1 4.242 0.00 . . . . . . . 106 LYS HA . 50544 1 138 . 1 . 1 17 17 LYS HB2 H 1 1.703 0.01 . . . . . . . 106 LYS HB2 . 50544 1 139 . 1 . 1 17 17 LYS HD2 H 1 1.379 0.00 . . . . . . . 106 LYS HD2 . 50544 1 140 . 1 . 1 17 17 LYS HE2 H 1 2.911 0.00 . . . . . . . 106 LYS HE2 . 50544 1 141 . 1 . 1 17 17 LYS C C 13 174.111 0.00 . . . . . . . 106 LYS C . 50544 1 142 . 1 . 1 17 17 LYS CA C 13 53.653 0.04 . . . . . . . 106 LYS CA . 50544 1 143 . 1 . 1 17 17 LYS CB C 13 30.116 0.02 . . . . . . . 106 LYS CB . 50544 1 144 . 1 . 1 17 17 LYS CG C 13 21.998 0.00 . . . . . . . 106 LYS CG . 50544 1 145 . 1 . 1 17 17 LYS CD C 13 26.247 0.00 . . . . . . . 106 LYS CD . 50544 1 146 . 1 . 1 17 17 LYS CE C 13 39.310 0.00 . . . . . . . 106 LYS CE . 50544 1 147 . 1 . 1 17 17 LYS N N 15 121.943 0.01 . . . . . . . 106 LYS N . 50544 1 148 . 1 . 1 18 18 THR H H 1 8.055 0.00 . . . . . . . 107 THR H . 50544 1 149 . 1 . 1 18 18 THR HA H 1 4.236 0.00 . . . . . . . 107 THR HA . 50544 1 150 . 1 . 1 18 18 THR HB H 1 4.079 0.00 . . . . . . . 107 THR HB . 50544 1 151 . 1 . 1 18 18 THR HG21 H 1 1.079 0.01 . . . . . . . 107 THR HG21 . 50544 1 152 . 1 . 1 18 18 THR HG22 H 1 1.079 0.01 . . . . . . . 107 THR HG21 . 50544 1 153 . 1 . 1 18 18 THR HG23 H 1 1.079 0.01 . . . . . . . 107 THR HG21 . 50544 1 154 . 1 . 1 18 18 THR C C 13 171.240 0.00 . . . . . . . 107 THR C . 50544 1 155 . 1 . 1 18 18 THR CA C 13 58.894 0.05 . . . . . . . 107 THR CA . 50544 1 156 . 1 . 1 18 18 THR CB C 13 67.160 0.09 . . . . . . . 107 THR CB . 50544 1 157 . 1 . 1 18 18 THR CG2 C 13 18.708 0.00 . . . . . . . 107 THR CG2 . 50544 1 158 . 1 . 1 18 18 THR N N 15 115.097 0.01 . . . . . . . 107 THR N . 50544 1 159 . 1 . 1 19 19 ASN H H 1 8.458 0.00 . . . . . . . 108 ASN H . 50544 1 160 . 1 . 1 19 19 ASN HA H 1 4.622 0.01 . . . . . . . 108 ASN HA . 50544 1 161 . 1 . 1 19 19 ASN HB2 H 1 2.738 0.00 . . . . . . . 108 ASN HB2 . 50544 1 162 . 1 . 1 19 19 ASN HB3 H 1 2.669 0.00 . . . . . . . 108 ASN HB3 . 50544 1 163 . 1 . 1 19 19 ASN C C 13 172.343 0.01 . . . . . . . 108 ASN C . 50544 1 164 . 1 . 1 19 19 ASN CA C 13 50.359 0.03 . . . . . . . 108 ASN CA . 50544 1 165 . 1 . 1 19 19 ASN CB C 13 35.973 0.07 . . . . . . . 108 ASN CB . 50544 1 166 . 1 . 1 19 19 ASN N N 15 121.203 0.01 . . . . . . . 108 ASN N . 50544 1 167 . 1 . 1 20 20 MET H H 1 8.258 0.00 . . . . . . . 109 MET H . 50544 1 168 . 1 . 1 20 20 MET HA H 1 4.337 0.00 . . . . . . . 109 MET HA . 50544 1 169 . 1 . 1 20 20 MET HB2 H 1 1.948 0.02 . . . . . . . 109 MET HB2 . 50544 1 170 . 1 . 1 20 20 MET HB3 H 1 1.861 0.00 . . . . . . . 109 MET HB3 . 50544 1 171 . 1 . 1 20 20 MET HG2 H 1 2.463 0.00 . . . . . . . 109 MET HG2 . 50544 1 172 . 1 . 1 20 20 MET HG3 H 1 2.395 0.00 . . . . . . . 109 MET HG3 . 50544 1 173 . 1 . 1 20 20 MET C C 13 173.363 0.00 . . . . . . . 109 MET C . 50544 1 174 . 1 . 1 20 20 MET CA C 13 52.742 0.09 . . . . . . . 109 MET CA . 50544 1 175 . 1 . 1 20 20 MET CB C 13 30.174 0.10 . . . . . . . 109 MET CB . 50544 1 176 . 1 . 1 20 20 MET CG C 13 29.217 0.07 . . . . . . . 109 MET CG . 50544 1 177 . 1 . 1 20 20 MET N N 15 121.153 0.01 . . . . . . . 109 MET N . 50544 1 178 . 1 . 1 21 21 LYS H H 1 8.217 0.00 . . . . . . . 110 LYS H . 50544 1 179 . 1 . 1 21 21 LYS HA H 1 4.142 0.00 . . . . . . . 110 LYS HA . 50544 1 180 . 1 . 1 21 21 LYS HB2 H 1 1.625 0.00 . . . . . . . 110 LYS HB2 . 50544 1 181 . 1 . 1 21 21 LYS HG2 H 1 1.272 0.00 . . . . . . . 110 LYS HG2 . 50544 1 182 . 1 . 1 21 21 LYS HE2 H 1 2.872 0.00 . . . . . . . 110 LYS HE2 . 50544 1 183 . 1 . 1 21 21 LYS C C 13 173.482 0.02 . . . . . . . 110 LYS C . 50544 1 184 . 1 . 1 21 21 LYS CA C 13 53.682 0.04 . . . . . . . 110 LYS CA . 50544 1 185 . 1 . 1 21 21 LYS CB C 13 30.160 0.03 . . . . . . . 110 LYS CB . 50544 1 186 . 1 . 1 21 21 LYS CG C 13 21.938 0.00 . . . . . . . 110 LYS CG . 50544 1 187 . 1 . 1 21 21 LYS CD C 13 26.193 0.00 . . . . . . . 110 LYS CD . 50544 1 188 . 1 . 1 21 21 LYS CE C 13 39.301 0.03 . . . . . . . 110 LYS CE . 50544 1 189 . 1 . 1 21 21 LYS N N 15 122.074 0.01 . . . . . . . 110 LYS N . 50544 1 190 . 1 . 1 22 22 HIS H H 1 8.424 0.00 . . . . . . . 111 HIS H . 50544 1 191 . 1 . 1 22 22 HIS HA H 1 4.570 0.00 . . . . . . . 111 HIS HA . 50544 1 192 . 1 . 1 22 22 HIS HB2 H 1 3.084 0.00 . . . . . . . 111 HIS HB2 . 50544 1 193 . 1 . 1 22 22 HIS C C 13 171.504 0.00 . . . . . . . 111 HIS C . 50544 1 194 . 1 . 1 22 22 HIS CA C 13 52.456 0.04 . . . . . . . 111 HIS CA . 50544 1 195 . 1 . 1 22 22 HIS CB C 13 26.236 0.04 . . . . . . . 111 HIS CB . 50544 1 196 . 1 . 1 22 22 HIS N N 15 119.605 0.01 . . . . . . . 111 HIS N . 50544 1 197 . 1 . 1 23 23 MET H H 1 8.342 0.00 . . . . . . . 112 MET H . 50544 1 198 . 1 . 1 23 23 MET HA H 1 4.369 0.00 . . . . . . . 112 MET HA . 50544 1 199 . 1 . 1 23 23 MET HB2 H 1 1.903 0.01 . . . . . . . 112 MET HB2 . 50544 1 200 . 1 . 1 23 23 MET HG2 H 1 2.434 0.00 . . . . . . . 112 MET HG2 . 50544 1 201 . 1 . 1 23 23 MET HG3 H 1 2.425 0.00 . . . . . . . 112 MET HG3 . 50544 1 202 . 1 . 1 23 23 MET C C 13 172.918 0.00 . . . . . . . 112 MET C . 50544 1 203 . 1 . 1 23 23 MET CA C 13 52.466 0.07 . . . . . . . 112 MET CA . 50544 1 204 . 1 . 1 23 23 MET CB C 13 30.295 0.10 . . . . . . . 112 MET CB . 50544 1 205 . 1 . 1 23 23 MET CG C 13 29.097 0.00 . . . . . . . 112 MET CG . 50544 1 206 . 1 . 1 23 23 MET N N 15 122.506 0.01 . . . . . . . 112 MET N . 50544 1 207 . 1 . 1 24 24 ALA H H 1 8.364 0.00 . . . . . . . 113 ALA H . 50544 1 208 . 1 . 1 24 24 ALA HA H 1 4.218 0.00 . . . . . . . 113 ALA HA . 50544 1 209 . 1 . 1 24 24 ALA HB1 H 1 1.296 0.00 . . . . . . . 113 ALA HB1 . 50544 1 210 . 1 . 1 24 24 ALA HB2 H 1 1.296 0.00 . . . . . . . 113 ALA HB1 . 50544 1 211 . 1 . 1 24 24 ALA HB3 H 1 1.296 0.00 . . . . . . . 113 ALA HB1 . 50544 1 212 . 1 . 1 24 24 ALA C C 13 175.323 0.01 . . . . . . . 113 ALA C . 50544 1 213 . 1 . 1 24 24 ALA CA C 13 49.885 0.04 . . . . . . . 113 ALA CA . 50544 1 214 . 1 . 1 24 24 ALA CB C 13 16.464 0.03 . . . . . . . 113 ALA CB . 50544 1 215 . 1 . 1 24 24 ALA N N 15 125.669 0.02 . . . . . . . 113 ALA N . 50544 1 216 . 1 . 1 25 25 GLY H H 1 8.308 0.00 . . . . . . . 114 GLY H . 50544 1 217 . 1 . 1 25 25 GLY HA2 H 1 3.837 0.00 . . . . . . . 114 GLY HA2 . 50544 1 218 . 1 . 1 25 25 GLY C C 13 171.139 0.00 . . . . . . . 114 GLY C . 50544 1 219 . 1 . 1 25 25 GLY CA C 13 42.422 0.02 . . . . . . . 114 GLY CA . 50544 1 220 . 1 . 1 25 25 GLY N N 15 108.415 0.01 . . . . . . . 114 GLY N . 50544 1 221 . 1 . 1 26 26 ALA H H 1 8.057 0.00 . . . . . . . 115 ALA H . 50544 1 222 . 1 . 1 26 26 ALA HA H 1 4.210 0.01 . . . . . . . 115 ALA HA . 50544 1 223 . 1 . 1 26 26 ALA HB1 H 1 1.275 0.00 . . . . . . . 115 ALA HB1 . 50544 1 224 . 1 . 1 26 26 ALA HB2 H 1 1.275 0.00 . . . . . . . 115 ALA HB1 . 50544 1 225 . 1 . 1 26 26 ALA HB3 H 1 1.275 0.00 . . . . . . . 115 ALA HB1 . 50544 1 226 . 1 . 1 26 26 ALA C C 13 174.854 0.01 . . . . . . . 115 ALA C . 50544 1 227 . 1 . 1 26 26 ALA CA C 13 49.680 0.05 . . . . . . . 115 ALA CA . 50544 1 228 . 1 . 1 26 26 ALA CB C 13 16.545 0.08 . . . . . . . 115 ALA CB . 50544 1 229 . 1 . 1 26 26 ALA N N 15 123.674 0.01 . . . . . . . 115 ALA N . 50544 1 230 . 1 . 1 27 27 ALA H H 1 8.204 0.00 . . . . . . . 116 ALA H . 50544 1 231 . 1 . 1 27 27 ALA HA H 1 4.183 0.00 . . . . . . . 116 ALA HA . 50544 1 232 . 1 . 1 27 27 ALA HB1 H 1 1.272 0.00 . . . . . . . 116 ALA HB1 . 50544 1 233 . 1 . 1 27 27 ALA HB2 H 1 1.272 0.00 . . . . . . . 116 ALA HB1 . 50544 1 234 . 1 . 1 27 27 ALA HB3 H 1 1.272 0.00 . . . . . . . 116 ALA HB1 . 50544 1 235 . 1 . 1 27 27 ALA C C 13 174.798 0.00 . . . . . . . 116 ALA C . 50544 1 236 . 1 . 1 27 27 ALA CA C 13 49.654 0.07 . . . . . . . 116 ALA CA . 50544 1 237 . 1 . 1 27 27 ALA CB C 13 16.349 0.05 . . . . . . . 116 ALA CB . 50544 1 238 . 1 . 1 27 27 ALA N N 15 123.010 0.01 . . . . . . . 116 ALA N . 50544 1 239 . 1 . 1 28 28 ALA H H 1 8.103 0.00 . . . . . . . 117 ALA H . 50544 1 240 . 1 . 1 28 28 ALA HA H 1 4.187 0.00 . . . . . . . 117 ALA HA . 50544 1 241 . 1 . 1 28 28 ALA HB1 H 1 1.271 0.00 . . . . . . . 117 ALA HB1 . 50544 1 242 . 1 . 1 28 28 ALA HB2 H 1 1.271 0.00 . . . . . . . 117 ALA HB1 . 50544 1 243 . 1 . 1 28 28 ALA HB3 H 1 1.271 0.00 . . . . . . . 117 ALA HB1 . 50544 1 244 . 1 . 1 28 28 ALA C C 13 174.756 0.00 . . . . . . . 117 ALA C . 50544 1 245 . 1 . 1 28 28 ALA CA C 13 49.584 0.07 . . . . . . . 117 ALA CA . 50544 1 246 . 1 . 1 28 28 ALA CB C 13 16.408 0.03 . . . . . . . 117 ALA CB . 50544 1 247 . 1 . 1 28 28 ALA N N 15 123.092 0.01 . . . . . . . 117 ALA N . 50544 1 248 . 1 . 1 29 29 ALA H H 1 8.166 0.00 . . . . . . . 118 ALA H . 50544 1 249 . 1 . 1 29 29 ALA HA H 1 4.202 0.00 . . . . . . . 118 ALA HA . 50544 1 250 . 1 . 1 29 29 ALA HB1 H 1 1.283 0.00 . . . . . . . 118 ALA HB1 . 50544 1 251 . 1 . 1 29 29 ALA HB2 H 1 1.283 0.00 . . . . . . . 118 ALA HB1 . 50544 1 252 . 1 . 1 29 29 ALA HB3 H 1 1.283 0.00 . . . . . . . 118 ALA HB1 . 50544 1 253 . 1 . 1 29 29 ALA C C 13 175.419 0.00 . . . . . . . 118 ALA C . 50544 1 254 . 1 . 1 29 29 ALA CA C 13 49.861 0.04 . . . . . . . 118 ALA CA . 50544 1 255 . 1 . 1 29 29 ALA CB C 13 16.372 0.04 . . . . . . . 118 ALA CB . 50544 1 256 . 1 . 1 29 29 ALA N N 15 123.151 0.01 . . . . . . . 118 ALA N . 50544 1 257 . 1 . 1 30 30 GLY H H 1 8.176 0.00 . . . . . . . 119 GLY H . 50544 1 258 . 1 . 1 30 30 GLY HA2 H 1 3.834 0.00 . . . . . . . 119 GLY HA2 . 50544 1 259 . 1 . 1 30 30 GLY C C 13 170.810 0.01 . . . . . . . 119 GLY C . 50544 1 260 . 1 . 1 30 30 GLY CA C 13 42.410 0.02 . . . . . . . 119 GLY CA . 50544 1 261 . 1 . 1 30 30 GLY N N 15 107.796 0.02 . . . . . . . 119 GLY N . 50544 1 262 . 1 . 1 31 31 ALA H H 1 7.992 0.00 . . . . . . . 120 ALA H . 50544 1 263 . 1 . 1 31 31 ALA HA H 1 4.291 0.00 . . . . . . . 120 ALA HA . 50544 1 264 . 1 . 1 31 31 ALA HB1 H 1 1.250 0.00 . . . . . . . 120 ALA HB1 . 50544 1 265 . 1 . 1 31 31 ALA HB2 H 1 1.250 0.00 . . . . . . . 120 ALA HB1 . 50544 1 266 . 1 . 1 31 31 ALA HB3 H 1 1.250 0.00 . . . . . . . 120 ALA HB1 . 50544 1 267 . 1 . 1 31 31 ALA C C 13 174.661 0.01 . . . . . . . 120 ALA C . 50544 1 268 . 1 . 1 31 31 ALA CA C 13 49.448 0.06 . . . . . . . 120 ALA CA . 50544 1 269 . 1 . 1 31 31 ALA CB C 13 16.810 0.02 . . . . . . . 120 ALA CB . 50544 1 270 . 1 . 1 31 31 ALA N N 15 123.334 0.01 . . . . . . . 120 ALA N . 50544 1 271 . 1 . 1 32 32 VAL H H 1 8.053 0.00 . . . . . . . 121 VAL H . 50544 1 272 . 1 . 1 32 32 VAL HA H 1 4.051 0.00 . . . . . . . 121 VAL HA . 50544 1 273 . 1 . 1 32 32 VAL HB H 1 1.896 0.01 . . . . . . . 121 VAL HB . 50544 1 274 . 1 . 1 32 32 VAL HG11 H 1 0.786 0.01 . . . . . . . 121 VAL HG11 . 50544 1 275 . 1 . 1 32 32 VAL HG12 H 1 0.786 0.01 . . . . . . . 121 VAL HG11 . 50544 1 276 . 1 . 1 32 32 VAL HG13 H 1 0.786 0.01 . . . . . . . 121 VAL HG11 . 50544 1 277 . 1 . 1 32 32 VAL C C 13 173.596 0.01 . . . . . . . 121 VAL C . 50544 1 278 . 1 . 1 32 32 VAL CA C 13 59.461 0.06 . . . . . . . 121 VAL CA . 50544 1 279 . 1 . 1 32 32 VAL CB C 13 29.925 0.05 . . . . . . . 121 VAL CB . 50544 1 280 . 1 . 1 32 32 VAL CG1 C 13 18.069 0.00 . . . . . . . 121 VAL CG1 . 50544 1 281 . 1 . 1 32 32 VAL N N 15 119.541 0.01 . . . . . . . 121 VAL N . 50544 1 282 . 1 . 1 33 33 VAL H H 1 8.234 0.00 . . . . . . . 122 VAL H . 50544 1 283 . 1 . 1 33 33 VAL HA H 1 4.019 0.00 . . . . . . . 122 VAL HA . 50544 1 284 . 1 . 1 33 33 VAL HB H 1 1.916 0.00 . . . . . . . 122 VAL HB . 50544 1 285 . 1 . 1 33 33 VAL HG11 H 1 0.808 0.01 . . . . . . . 122 VAL HG11 . 50544 1 286 . 1 . 1 33 33 VAL HG12 H 1 0.808 0.01 . . . . . . . 122 VAL HG11 . 50544 1 287 . 1 . 1 33 33 VAL HG13 H 1 0.808 0.01 . . . . . . . 122 VAL HG11 . 50544 1 288 . 1 . 1 33 33 VAL C C 13 173.748 0.03 . . . . . . . 122 VAL C . 50544 1 289 . 1 . 1 33 33 VAL CA C 13 59.613 0.08 . . . . . . . 122 VAL CA . 50544 1 290 . 1 . 1 33 33 VAL CB C 13 29.924 0.04 . . . . . . . 122 VAL CB . 50544 1 291 . 1 . 1 33 33 VAL CG2 C 13 18.006 0.00 . . . . . . . 122 VAL CG2 . 50544 1 292 . 1 . 1 33 33 VAL N N 15 124.709 0.02 . . . . . . . 122 VAL N . 50544 1 293 . 1 . 1 34 34 GLY H H 1 8.441 0.00 . . . . . . . 123 GLY H . 50544 1 294 . 1 . 1 34 34 GLY HA2 H 1 3.847 0.00 . . . . . . . 123 GLY HA2 . 50544 1 295 . 1 . 1 34 34 GLY C C 13 171.812 0.00 . . . . . . . 123 GLY C . 50544 1 296 . 1 . 1 34 34 GLY CA C 13 42.521 0.02 . . . . . . . 123 GLY CA . 50544 1 297 . 1 . 1 34 34 GLY N N 15 112.914 0.01 . . . . . . . 123 GLY N . 50544 1 298 . 1 . 1 35 35 GLY H H 1 8.140 0.00 . . . . . . . 124 GLY H . 50544 1 299 . 1 . 1 35 35 GLY HA2 H 1 3.842 0.01 . . . . . . . 124 GLY HA2 . 50544 1 300 . 1 . 1 35 35 GLY C C 13 171.604 0.01 . . . . . . . 124 GLY C . 50544 1 301 . 1 . 1 35 35 GLY CA C 13 42.517 0.02 . . . . . . . 124 GLY CA . 50544 1 302 . 1 . 1 35 35 GLY N N 15 108.347 0.01 . . . . . . . 124 GLY N . 50544 1 303 . 1 . 1 36 36 LEU H H 1 8.159 0.00 . . . . . . . 125 LEU H . 50544 1 304 . 1 . 1 36 36 LEU HA H 1 4.242 0.00 . . . . . . . 125 LEU HA . 50544 1 305 . 1 . 1 36 36 LEU HB2 H 1 1.524 0.00 . . . . . . . 125 LEU HB2 . 50544 1 306 . 1 . 1 36 36 LEU HB3 H 1 1.497 0.00 . . . . . . . 125 LEU HB3 . 50544 1 307 . 1 . 1 36 36 LEU HG H 1 1.489 0.00 . . . . . . . 125 LEU HG . 50544 1 308 . 1 . 1 36 36 LEU HD11 H 1 0.750 0.00 . . . . . . . 125 LEU HD11 . 50544 1 309 . 1 . 1 36 36 LEU HD12 H 1 0.750 0.00 . . . . . . . 125 LEU HD11 . 50544 1 310 . 1 . 1 36 36 LEU HD13 H 1 0.750 0.00 . . . . . . . 125 LEU HD11 . 50544 1 311 . 1 . 1 36 36 LEU HD21 H 1 0.700 0.00 . . . . . . . 125 LEU HD21 . 50544 1 312 . 1 . 1 36 36 LEU HD22 H 1 0.700 0.00 . . . . . . . 125 LEU HD21 . 50544 1 313 . 1 . 1 36 36 LEU HD23 H 1 0.700 0.00 . . . . . . . 125 LEU HD21 . 50544 1 314 . 1 . 1 36 36 LEU C C 13 175.150 0.01 . . . . . . . 125 LEU C . 50544 1 315 . 1 . 1 36 36 LEU CA C 13 52.542 0.03 . . . . . . . 125 LEU CA . 50544 1 316 . 1 . 1 36 36 LEU CB C 13 39.488 0.06 . . . . . . . 125 LEU CB . 50544 1 317 . 1 . 1 36 36 LEU CG C 13 24.180 0.05 . . . . . . . 125 LEU CG . 50544 1 318 . 1 . 1 36 36 LEU CD1 C 13 22.309 0.06 . . . . . . . 125 LEU CD1 . 50544 1 319 . 1 . 1 36 36 LEU CD2 C 13 20.688 0.06 . . . . . . . 125 LEU CD2 . 50544 1 320 . 1 . 1 36 36 LEU N N 15 121.475 0.01 . . . . . . . 125 LEU N . 50544 1 321 . 1 . 1 37 37 GLY H H 1 8.352 0.00 . . . . . . . 126 GLY H . 50544 1 322 . 1 . 1 37 37 GLY HA2 H 1 3.822 0.00 . . . . . . . 126 GLY HA2 . 50544 1 323 . 1 . 1 37 37 GLY C C 13 171.723 0.02 . . . . . . . 126 GLY C . 50544 1 324 . 1 . 1 37 37 GLY CA C 13 42.666 0.03 . . . . . . . 126 GLY CA . 50544 1 325 . 1 . 1 37 37 GLY N N 15 109.159 0.01 . . . . . . . 126 GLY N . 50544 1 326 . 1 . 1 38 38 GLY H H 1 8.045 0.00 . . . . . . . 127 GLY H . 50544 1 327 . 1 . 1 38 38 GLY HA2 H 1 3.787 0.01 . . . . . . . 127 GLY HA2 . 50544 1 328 . 1 . 1 38 38 GLY C C 13 170.706 0.01 . . . . . . . 127 GLY C . 50544 1 329 . 1 . 1 38 38 GLY CA C 13 42.345 0.05 . . . . . . . 127 GLY CA . 50544 1 330 . 1 . 1 38 38 GLY N N 15 108.226 0.03 . . . . . . . 127 GLY N . 50544 1 331 . 1 . 1 39 39 TYR H H 1 7.898 0.00 . . . . . . . 128 TYR H . 50544 1 332 . 1 . 1 39 39 TYR HA H 1 4.505 0.00 . . . . . . . 128 TYR HA . 50544 1 333 . 1 . 1 39 39 TYR HB2 H 1 2.857 0.00 . . . . . . . 128 TYR HB2 . 50544 1 334 . 1 . 1 39 39 TYR C C 13 171.964 0.00 . . . . . . . 128 TYR C . 50544 1 335 . 1 . 1 39 39 TYR CA C 13 55.153 0.03 . . . . . . . 128 TYR CA . 50544 1 336 . 1 . 1 39 39 TYR CB C 13 36.506 0.02 . . . . . . . 128 TYR CB . 50544 1 337 . 1 . 1 39 39 TYR N N 15 119.414 0.03 . . . . . . . 128 TYR N . 50544 1 338 . 1 . 1 43 43 SER HA H 1 4.622 0.00 . . . . . . . 132 SER HA . 50544 1 339 . 1 . 1 43 43 SER HB2 H 1 3.710 0.00 . . . . . . . 132 SER HB2 . 50544 1 340 . 1 . 1 43 43 SER HB3 H 1 3.604 0.00 . . . . . . . 132 SER HB3 . 50544 1 341 . 1 . 1 43 43 SER CA C 13 54.656 0.05 . . . . . . . 132 SER CA . 50544 1 342 . 1 . 1 43 43 SER CB C 13 63.253 0.01 . . . . . . . 132 SER CB . 50544 1 343 . 1 . 1 44 44 ALA H H 1 8.509 0.00 . . . . . . . 133 ALA H . 50544 1 344 . 1 . 1 44 44 ALA HA H 1 4.496 0.00 . . . . . . . 133 ALA HA . 50544 1 345 . 1 . 1 44 44 ALA HB1 H 1 1.311 0.01 . . . . . . . 133 ALA HB1 . 50544 1 346 . 1 . 1 44 44 ALA HB2 H 1 1.311 0.01 . . . . . . . 133 ALA HB1 . 50544 1 347 . 1 . 1 44 44 ALA HB3 H 1 1.311 0.01 . . . . . . . 133 ALA HB1 . 50544 1 348 . 1 . 1 44 44 ALA C C 13 174.369 0.01 . . . . . . . 133 ALA C . 50544 1 349 . 1 . 1 44 44 ALA CA C 13 49.337 0.03 . . . . . . . 133 ALA CA . 50544 1 350 . 1 . 1 44 44 ALA CB C 13 16.443 0.05 . . . . . . . 133 ALA CB . 50544 1 351 . 1 . 1 44 44 ALA N N 15 127.547 0.02 . . . . . . . 133 ALA N . 50544 1 352 . 1 . 1 45 45 MET H H 1 8.249 0.00 . . . . . . . 134 MET H . 50544 1 353 . 1 . 1 45 45 MET HA H 1 4.595 0.00 . . . . . . . 134 MET HA . 50544 1 354 . 1 . 1 45 45 MET HG2 H 1 2.381 0.00 . . . . . . . 134 MET HG2 . 50544 1 355 . 1 . 1 45 45 MET HG3 H 1 2.331 0.00 . . . . . . . 134 MET HG3 . 50544 1 356 . 1 . 1 45 45 MET C C 13 172.174 0.00 . . . . . . . 134 MET C . 50544 1 357 . 1 . 1 45 45 MET CA C 13 52.184 0.08 . . . . . . . 134 MET CA . 50544 1 358 . 1 . 1 45 45 MET CB C 13 32.654 0.02 . . . . . . . 134 MET CB . 50544 1 359 . 1 . 1 45 45 MET CG C 13 28.774 0.07 . . . . . . . 134 MET CG . 50544 1 360 . 1 . 1 45 45 MET N N 15 120.466 0.02 . . . . . . . 134 MET N . 50544 1 361 . 1 . 1 46 46 SER H H 1 8.195 0.00 . . . . . . . 135 SER H . 50544 1 362 . 1 . 1 46 46 SER HA H 1 4.330 0.00 . . . . . . . 135 SER HA . 50544 1 363 . 1 . 1 46 46 SER HB2 H 1 3.689 0.00 . . . . . . . 135 SER HB2 . 50544 1 364 . 1 . 1 46 46 SER C C 13 171.303 0.00 . . . . . . . 135 SER C . 50544 1 365 . 1 . 1 46 46 SER CA C 13 55.445 0.03 . . . . . . . 135 SER CA . 50544 1 366 . 1 . 1 46 46 SER CB C 13 60.734 0.07 . . . . . . . 135 SER CB . 50544 1 367 . 1 . 1 46 46 SER N N 15 116.462 0.02 . . . . . . . 135 SER N . 50544 1 368 . 1 . 1 47 47 ARG H H 1 8.520 0.00 . . . . . . . 136 ARG H . 50544 1 369 . 1 . 1 47 47 ARG HA H 1 4.451 0.00 . . . . . . . 136 ARG HA . 50544 1 370 . 1 . 1 47 47 ARG HB2 H 1 1.707 0.00 . . . . . . . 136 ARG HB2 . 50544 1 371 . 1 . 1 47 47 ARG HB3 H 1 1.657 0.00 . . . . . . . 136 ARG HB3 . 50544 1 372 . 1 . 1 47 47 ARG HG2 H 1 1.718 0.00 . . . . . . . 136 ARG HG2 . 50544 1 373 . 1 . 1 47 47 ARG C C 13 171.919 0.00 . . . . . . . 136 ARG C . 50544 1 374 . 1 . 1 47 47 ARG CA C 13 51.705 0.07 . . . . . . . 136 ARG CA . 50544 1 375 . 1 . 1 47 47 ARG CB C 13 27.318 0.10 . . . . . . . 136 ARG CB . 50544 1 376 . 1 . 1 47 47 ARG CG C 13 25.358 0.05 . . . . . . . 136 ARG CG . 50544 1 377 . 1 . 1 47 47 ARG CD C 13 41.138 0.00 . . . . . . . 136 ARG CD . 50544 1 378 . 1 . 1 47 47 ARG N N 15 125.328 0.02 . . . . . . . 136 ARG N . 50544 1 379 . 1 . 1 48 48 PRO HA H 1 4.394 0.02 . . . . . . . 137 PRO HA . 50544 1 380 . 1 . 1 48 48 PRO HB2 H 1 2.134 0.00 . . . . . . . 137 PRO HB2 . 50544 1 381 . 1 . 1 48 48 PRO HB3 H 1 1.663 0.00 . . . . . . . 137 PRO HB3 . 50544 1 382 . 1 . 1 48 48 PRO HG2 H 1 1.822 0.00 . . . . . . . 137 PRO HG2 . 50544 1 383 . 1 . 1 48 48 PRO HD2 H 1 3.801 0.01 . . . . . . . 137 PRO HD2 . 50544 1 384 . 1 . 1 48 48 PRO HD3 H 1 3.550 0.00 . . . . . . . 137 PRO HD3 . 50544 1 385 . 1 . 1 48 48 PRO C C 13 172.919 0.00 . . . . . . . 137 PRO C . 50544 1 386 . 1 . 1 48 48 PRO CA C 13 59.537 0.02 . . . . . . . 137 PRO CA . 50544 1 387 . 1 . 1 48 48 PRO CB C 13 29.607 0.08 . . . . . . . 137 PRO CB . 50544 1 388 . 1 . 1 48 48 PRO CG C 13 24.162 0.04 . . . . . . . 137 PRO CG . 50544 1 389 . 1 . 1 48 48 PRO CD C 13 47.935 0.03 . . . . . . . 137 PRO CD . 50544 1 390 . 1 . 1 49 49 ILE H H 1 8.497 0.01 . . . . . . . 138 ILE H . 50544 1 391 . 1 . 1 49 49 ILE HA H 1 4.038 0.00 . . . . . . . 138 ILE HA . 50544 1 392 . 1 . 1 49 49 ILE HB H 1 1.770 0.00 . . . . . . . 138 ILE HB . 50544 1 393 . 1 . 1 49 49 ILE HG12 H 1 1.496 0.00 . . . . . . . 138 ILE HG12 . 50544 1 394 . 1 . 1 49 49 ILE HG13 H 1 1.242 0.00 . . . . . . . 138 ILE HG13 . 50544 1 395 . 1 . 1 49 49 ILE HG21 H 1 0.642 0.00 . . . . . . . 138 ILE HG21 . 50544 1 396 . 1 . 1 49 49 ILE HG22 H 1 0.642 0.00 . . . . . . . 138 ILE HG21 . 50544 1 397 . 1 . 1 49 49 ILE HG23 H 1 0.642 0.00 . . . . . . . 138 ILE HG21 . 50544 1 398 . 1 . 1 49 49 ILE HD11 H 1 0.802 0.00 . . . . . . . 138 ILE HD11 . 50544 1 399 . 1 . 1 49 49 ILE HD12 H 1 0.802 0.00 . . . . . . . 138 ILE HD11 . 50544 1 400 . 1 . 1 49 49 ILE HD13 H 1 0.802 0.00 . . . . . . . 138 ILE HD11 . 50544 1 401 . 1 . 1 49 49 ILE C C 13 172.529 0.02 . . . . . . . 138 ILE C . 50544 1 402 . 1 . 1 49 49 ILE CA C 13 58.430 0.04 . . . . . . . 138 ILE CA . 50544 1 403 . 1 . 1 49 49 ILE CB C 13 33.864 0.08 . . . . . . . 138 ILE CB . 50544 1 404 . 1 . 1 49 49 ILE CG1 C 13 24.585 0.04 . . . . . . . 138 ILE CG1 . 50544 1 405 . 1 . 1 49 49 ILE CG2 C 13 14.640 0.07 . . . . . . . 138 ILE CG2 . 50544 1 406 . 1 . 1 49 49 ILE CD1 C 13 8.958 0.02 . . . . . . . 138 ILE CD1 . 50544 1 407 . 1 . 1 49 49 ILE N N 15 121.783 0.04 . . . . . . . 138 ILE N . 50544 1 408 . 1 . 1 50 50 ILE H H 1 6.587 0.00 . . . . . . . 139 ILE H . 50544 1 409 . 1 . 1 50 50 ILE HA H 1 3.907 0.00 . . . . . . . 139 ILE HA . 50544 1 410 . 1 . 1 50 50 ILE HB H 1 0.902 0.00 . . . . . . . 139 ILE HB . 50544 1 411 . 1 . 1 50 50 ILE HG12 H 1 0.774 0.00 . . . . . . . 139 ILE HG12 . 50544 1 412 . 1 . 1 50 50 ILE HG13 H 1 0.650 0.00 . . . . . . . 139 ILE HG13 . 50544 1 413 . 1 . 1 50 50 ILE HG21 H 1 -0.071 0.00 . . . . . . . 139 ILE HG21 . 50544 1 414 . 1 . 1 50 50 ILE HG22 H 1 -0.071 0.00 . . . . . . . 139 ILE HG21 . 50544 1 415 . 1 . 1 50 50 ILE HG23 H 1 -0.071 0.00 . . . . . . . 139 ILE HG21 . 50544 1 416 . 1 . 1 50 50 ILE HD11 H 1 0.366 0.00 . . . . . . . 139 ILE HD11 . 50544 1 417 . 1 . 1 50 50 ILE HD12 H 1 0.366 0.00 . . . . . . . 139 ILE HD11 . 50544 1 418 . 1 . 1 50 50 ILE HD13 H 1 0.366 0.00 . . . . . . . 139 ILE HD11 . 50544 1 419 . 1 . 1 50 50 ILE C C 13 170.549 0.02 . . . . . . . 139 ILE C . 50544 1 420 . 1 . 1 50 50 ILE CA C 13 55.960 0.05 . . . . . . . 139 ILE CA . 50544 1 421 . 1 . 1 50 50 ILE CB C 13 36.692 0.06 . . . . . . . 139 ILE CB . 50544 1 422 . 1 . 1 50 50 ILE CG1 C 13 23.672 0.08 . . . . . . . 139 ILE CG1 . 50544 1 423 . 1 . 1 50 50 ILE CG2 C 13 14.253 0.07 . . . . . . . 139 ILE CG2 . 50544 1 424 . 1 . 1 50 50 ILE CD1 C 13 9.899 0.04 . . . . . . . 139 ILE CD1 . 50544 1 425 . 1 . 1 50 50 ILE N N 15 126.083 0.02 . . . . . . . 139 ILE N . 50544 1 426 . 1 . 1 51 51 HIS H H 1 8.161 0.00 . . . . . . . 140 HIS H . 50544 1 427 . 1 . 1 51 51 HIS HA H 1 4.796 0.00 . . . . . . . 140 HIS HA . 50544 1 428 . 1 . 1 51 51 HIS HB2 H 1 3.190 0.00 . . . . . . . 140 HIS HB2 . 50544 1 429 . 1 . 1 51 51 HIS HB3 H 1 2.845 0.00 . . . . . . . 140 HIS HB3 . 50544 1 430 . 1 . 1 51 51 HIS C C 13 171.692 0.00 . . . . . . . 140 HIS C . 50544 1 431 . 1 . 1 51 51 HIS CA C 13 51.409 0.03 . . . . . . . 140 HIS CA . 50544 1 432 . 1 . 1 51 51 HIS CB C 13 26.919 0.09 . . . . . . . 140 HIS CB . 50544 1 433 . 1 . 1 51 51 HIS N N 15 121.644 0.03 . . . . . . . 140 HIS N . 50544 1 434 . 1 . 1 52 52 PHE H H 1 9.958 0.13 . . . . . . . 141 PHE H . 50544 1 435 . 1 . 1 52 52 PHE HA H 1 4.276 0.00 . . . . . . . 141 PHE HA . 50544 1 436 . 1 . 1 52 52 PHE HB2 H 1 3.217 0.00 . . . . . . . 141 PHE HB2 . 50544 1 437 . 1 . 1 52 52 PHE HB3 H 1 2.701 0.00 . . . . . . . 141 PHE HB3 . 50544 1 438 . 1 . 1 52 52 PHE C C 13 173.943 0.01 . . . . . . . 141 PHE C . 50544 1 439 . 1 . 1 52 52 PHE CA C 13 56.431 0.04 . . . . . . . 141 PHE CA . 50544 1 440 . 1 . 1 52 52 PHE CB C 13 38.627 0.06 . . . . . . . 141 PHE CB . 50544 1 441 . 1 . 1 52 52 PHE N N 15 123.727 0.01 . . . . . . . 141 PHE N . 50544 1 442 . 1 . 1 53 53 GLY H H 1 8.914 0.00 . . . . . . . 142 GLY H . 50544 1 443 . 1 . 1 53 53 GLY HA2 H 1 4.029 0.00 . . . . . . . 142 GLY HA2 . 50544 1 444 . 1 . 1 53 53 GLY HA3 H 1 3.752 0.00 . . . . . . . 142 GLY HA3 . 50544 1 445 . 1 . 1 53 53 GLY C C 13 170.783 0.01 . . . . . . . 142 GLY C . 50544 1 446 . 1 . 1 53 53 GLY CA C 13 43.012 0.04 . . . . . . . 142 GLY CA . 50544 1 447 . 1 . 1 53 53 GLY N N 15 108.384 0.01 . . . . . . . 142 GLY N . 50544 1 448 . 1 . 1 54 54 SER H H 1 7.247 0.00 . . . . . . . 143 SER H . 50544 1 449 . 1 . 1 54 54 SER HA H 1 4.714 0.00 . . . . . . . 143 SER HA . 50544 1 450 . 1 . 1 54 54 SER HB2 H 1 4.026 0.00 . . . . . . . 143 SER HB2 . 50544 1 451 . 1 . 1 54 54 SER HB3 H 1 3.824 0.00 . . . . . . . 143 SER HB3 . 50544 1 452 . 1 . 1 54 54 SER C C 13 171.244 0.01 . . . . . . . 143 SER C . 50544 1 453 . 1 . 1 54 54 SER CA C 13 53.871 0.03 . . . . . . . 143 SER CA . 50544 1 454 . 1 . 1 54 54 SER CB C 13 63.233 0.06 . . . . . . . 143 SER CB . 50544 1 455 . 1 . 1 54 54 SER N N 15 111.769 0.01 . . . . . . . 143 SER N . 50544 1 456 . 1 . 1 55 55 ASP H H 1 8.960 0.00 . . . . . . . 144 ASP H . 50544 1 457 . 1 . 1 55 55 ASP HA H 1 4.402 0.00 . . . . . . . 144 ASP HA . 50544 1 458 . 1 . 1 55 55 ASP HB2 H 1 2.654 0.00 . . . . . . . 144 ASP HB2 . 50544 1 459 . 1 . 1 55 55 ASP C C 13 175.746 0.01 . . . . . . . 144 ASP C . 50544 1 460 . 1 . 1 55 55 ASP CA C 13 54.864 0.05 . . . . . . . 144 ASP CA . 50544 1 461 . 1 . 1 55 55 ASP CB C 13 37.954 0.20 . . . . . . . 144 ASP CB . 50544 1 462 . 1 . 1 55 55 ASP N N 15 124.542 0.02 . . . . . . . 144 ASP N . 50544 1 463 . 1 . 1 56 56 TYR H H 1 8.475 0.00 . . . . . . . 145 TYR H . 50544 1 464 . 1 . 1 56 56 TYR HA H 1 4.094 0.00 . . . . . . . 145 TYR HA . 50544 1 465 . 1 . 1 56 56 TYR HB2 H 1 3.147 0.00 . . . . . . . 145 TYR HB2 . 50544 1 466 . 1 . 1 56 56 TYR HB3 H 1 2.757 0.00 . . . . . . . 145 TYR HB3 . 50544 1 467 . 1 . 1 56 56 TYR C C 13 175.096 0.18 . . . . . . . 145 TYR C . 50544 1 468 . 1 . 1 56 56 TYR CA C 13 58.730 0.04 . . . . . . . 145 TYR CA . 50544 1 469 . 1 . 1 56 56 TYR CB C 13 35.241 0.03 . . . . . . . 145 TYR CB . 50544 1 470 . 1 . 1 56 56 TYR N N 15 118.852 0.01 . . . . . . . 145 TYR N . 50544 1 471 . 1 . 1 57 57 GLU H H 1 7.616 0.00 . . . . . . . 146 GLU H . 50544 1 472 . 1 . 1 57 57 GLU HA H 1 3.501 0.00 . . . . . . . 146 GLU HA . 50544 1 473 . 1 . 1 57 57 GLU HB2 H 1 1.882 0.00 . . . . . . . 146 GLU HB2 . 50544 1 474 . 1 . 1 57 57 GLU HB3 H 1 1.468 0.01 . . . . . . . 146 GLU HB3 . 50544 1 475 . 1 . 1 57 57 GLU HG2 H 1 2.156 0.00 . . . . . . . 146 GLU HG2 . 50544 1 476 . 1 . 1 57 57 GLU HG3 H 1 1.841 0.00 . . . . . . . 146 GLU HG3 . 50544 1 477 . 1 . 1 57 57 GLU C C 13 174.836 0.00 . . . . . . . 146 GLU C . 50544 1 478 . 1 . 1 57 57 GLU CA C 13 57.057 0.03 . . . . . . . 146 GLU CA . 50544 1 479 . 1 . 1 57 57 GLU CB C 13 27.229 0.08 . . . . . . . 146 GLU CB . 50544 1 480 . 1 . 1 57 57 GLU CG C 13 34.887 0.06 . . . . . . . 146 GLU CG . 50544 1 481 . 1 . 1 57 57 GLU N N 15 118.992 0.01 . . . . . . . 146 GLU N . 50544 1 482 . 1 . 1 58 58 ASP H H 1 8.076 0.00 . . . . . . . 147 ASP H . 50544 1 483 . 1 . 1 58 58 ASP HA H 1 4.537 0.00 . . . . . . . 147 ASP HA . 50544 1 484 . 1 . 1 58 58 ASP HB2 H 1 2.908 0.00 . . . . . . . 147 ASP HB2 . 50544 1 485 . 1 . 1 58 58 ASP HB3 H 1 2.775 0.01 . . . . . . . 147 ASP HB3 . 50544 1 486 . 1 . 1 58 58 ASP C C 13 176.300 0.01 . . . . . . . 147 ASP C . 50544 1 487 . 1 . 1 58 58 ASP CA C 13 55.685 0.04 . . . . . . . 147 ASP CA . 50544 1 488 . 1 . 1 58 58 ASP CB C 13 37.858 0.08 . . . . . . . 147 ASP CB . 50544 1 489 . 1 . 1 58 58 ASP N N 15 119.376 0.01 . . . . . . . 147 ASP N . 50544 1 490 . 1 . 1 59 59 ARG H H 1 8.140 0.00 . . . . . . . 148 ARG H . 50544 1 491 . 1 . 1 59 59 ARG HA H 1 3.893 0.01 . . . . . . . 148 ARG HA . 50544 1 492 . 1 . 1 59 59 ARG HB2 H 1 1.800 0.01 . . . . . . . 148 ARG HB2 . 50544 1 493 . 1 . 1 59 59 ARG HG2 H 1 1.443 0.00 . . . . . . . 148 ARG HG2 . 50544 1 494 . 1 . 1 59 59 ARG C C 13 175.097 0.01 . . . . . . . 148 ARG C . 50544 1 495 . 1 . 1 59 59 ARG CA C 13 56.960 0.09 . . . . . . . 148 ARG CA . 50544 1 496 . 1 . 1 59 59 ARG CB C 13 27.094 0.10 . . . . . . . 148 ARG CB . 50544 1 497 . 1 . 1 59 59 ARG CG C 13 25.053 0.05 . . . . . . . 148 ARG CG . 50544 1 498 . 1 . 1 59 59 ARG CD C 13 40.840 0.02 . . . . . . . 148 ARG CD . 50544 1 499 . 1 . 1 59 59 ARG N N 15 119.982 0.05 . . . . . . . 148 ARG N . 50544 1 500 . 1 . 1 60 60 TYR H H 1 8.202 0.00 . . . . . . . 149 TYR H . 50544 1 501 . 1 . 1 60 60 TYR HA H 1 3.734 0.00 . . . . . . . 149 TYR HA . 50544 1 502 . 1 . 1 60 60 TYR HB2 H 1 2.759 0.00 . . . . . . . 149 TYR HB2 . 50544 1 503 . 1 . 1 60 60 TYR HB3 H 1 2.532 0.00 . . . . . . . 149 TYR HB3 . 50544 1 504 . 1 . 1 60 60 TYR C C 13 176.777 0.01 . . . . . . . 149 TYR C . 50544 1 505 . 1 . 1 60 60 TYR CA C 13 59.515 0.02 . . . . . . . 149 TYR CA . 50544 1 506 . 1 . 1 60 60 TYR CB C 13 35.425 0.08 . . . . . . . 149 TYR CB . 50544 1 507 . 1 . 1 60 60 TYR N N 15 121.170 0.03 . . . . . . . 149 TYR N . 50544 1 508 . 1 . 1 61 61 TYR H H 1 8.863 0.00 . . . . . . . 150 TYR H . 50544 1 509 . 1 . 1 61 61 TYR HA H 1 4.002 0.00 . . . . . . . 150 TYR HA . 50544 1 510 . 1 . 1 61 61 TYR HB2 H 1 3.347 0.00 . . . . . . . 150 TYR HB2 . 50544 1 511 . 1 . 1 61 61 TYR HB3 H 1 3.127 0.00 . . . . . . . 150 TYR HB3 . 50544 1 512 . 1 . 1 61 61 TYR C C 13 174.283 0.01 . . . . . . . 150 TYR C . 50544 1 513 . 1 . 1 61 61 TYR CA C 13 60.194 0.04 . . . . . . . 150 TYR CA . 50544 1 514 . 1 . 1 61 61 TYR CB C 13 35.318 0.02 . . . . . . . 150 TYR CB . 50544 1 515 . 1 . 1 61 61 TYR N N 15 120.553 0.01 . . . . . . . 150 TYR N . 50544 1 516 . 1 . 1 62 62 ARG H H 1 7.980 0.00 . . . . . . . 151 ARG H . 50544 1 517 . 1 . 1 62 62 ARG HA H 1 3.829 0.00 . . . . . . . 151 ARG HA . 50544 1 518 . 1 . 1 62 62 ARG HB2 H 1 1.906 0.01 . . . . . . . 151 ARG HB2 . 50544 1 519 . 1 . 1 62 62 ARG HG2 H 1 1.828 0.14 . . . . . . . 151 ARG HG2 . 50544 1 520 . 1 . 1 62 62 ARG HG3 H 1 1.645 0.00 . . . . . . . 151 ARG HG3 . 50544 1 521 . 1 . 1 62 62 ARG HD2 H 1 3.272 0.00 . . . . . . . 151 ARG HD2 . 50544 1 522 . 1 . 1 62 62 ARG HD3 H 1 3.184 0.00 . . . . . . . 151 ARG HD3 . 50544 1 523 . 1 . 1 62 62 ARG C C 13 176.935 0.01 . . . . . . . 151 ARG C . 50544 1 524 . 1 . 1 62 62 ARG CA C 13 57.270 0.05 . . . . . . . 151 ARG CA . 50544 1 525 . 1 . 1 62 62 ARG CB C 13 26.962 0.04 . . . . . . . 151 ARG CB . 50544 1 526 . 1 . 1 62 62 ARG CG C 13 25.605 0.11 . . . . . . . 151 ARG CG . 50544 1 527 . 1 . 1 62 62 ARG CD C 13 40.639 0.00 . . . . . . . 151 ARG CD . 50544 1 528 . 1 . 1 62 62 ARG N N 15 117.996 0.01 . . . . . . . 151 ARG N . 50544 1 529 . 1 . 1 63 63 GLU H H 1 7.977 0.00 . . . . . . . 152 GLU H . 50544 1 530 . 1 . 1 63 63 GLU HA H 1 3.963 0.00 . . . . . . . 152 GLU HA . 50544 1 531 . 1 . 1 63 63 GLU HB2 H 1 1.784 0.00 . . . . . . . 152 GLU HB2 . 50544 1 532 . 1 . 1 63 63 GLU HG2 H 1 2.322 0.00 . . . . . . . 152 GLU HG2 . 50544 1 533 . 1 . 1 63 63 GLU HG3 H 1 2.130 0.01 . . . . . . . 152 GLU HG3 . 50544 1 534 . 1 . 1 63 63 GLU C C 13 174.680 0.01 . . . . . . . 152 GLU C . 50544 1 535 . 1 . 1 63 63 GLU CA C 13 55.348 0.03 . . . . . . . 152 GLU CA . 50544 1 536 . 1 . 1 63 63 GLU CB C 13 26.872 0.04 . . . . . . . 152 GLU CB . 50544 1 537 . 1 . 1 63 63 GLU CG C 13 33.284 0.05 . . . . . . . 152 GLU CG . 50544 1 538 . 1 . 1 63 63 GLU N N 15 116.649 0.02 . . . . . . . 152 GLU N . 50544 1 539 . 1 . 1 64 64 ASN H H 1 7.468 0.00 . . . . . . . 153 ASN H . 50544 1 540 . 1 . 1 64 64 ASN HA H 1 4.214 0.00 . . . . . . . 153 ASN HA . 50544 1 541 . 1 . 1 64 64 ASN HB2 H 1 2.045 0.00 . . . . . . . 153 ASN HB2 . 50544 1 542 . 1 . 1 64 64 ASN C C 13 172.749 0.01 . . . . . . . 153 ASN C . 50544 1 543 . 1 . 1 64 64 ASN CA C 13 52.138 0.04 . . . . . . . 153 ASN CA . 50544 1 544 . 1 . 1 64 64 ASN CB C 13 38.453 0.05 . . . . . . . 153 ASN CB . 50544 1 545 . 1 . 1 64 64 ASN N N 15 114.594 0.01 . . . . . . . 153 ASN N . 50544 1 546 . 1 . 1 65 65 MET H H 1 8.006 0.00 . . . . . . . 154 MET H . 50544 1 547 . 1 . 1 65 65 MET HA H 1 3.295 0.00 . . . . . . . 154 MET HA . 50544 1 548 . 1 . 1 65 65 MET HB2 H 1 1.560 0.00 . . . . . . . 154 MET HB2 . 50544 1 549 . 1 . 1 65 65 MET HB3 H 1 1.208 0.00 . . . . . . . 154 MET HB3 . 50544 1 550 . 1 . 1 65 65 MET HG2 H 1 2.436 0.00 . . . . . . . 154 MET HG2 . 50544 1 551 . 1 . 1 65 65 MET HG3 H 1 2.261 0.18 . . . . . . . 154 MET HG3 . 50544 1 552 . 1 . 1 65 65 MET C C 13 169.734 0.00 . . . . . . . 154 MET C . 50544 1 553 . 1 . 1 65 65 MET CA C 13 56.649 0.07 . . . . . . . 154 MET CA . 50544 1 554 . 1 . 1 65 65 MET CB C 13 27.303 0.09 . . . . . . . 154 MET CB . 50544 1 555 . 1 . 1 65 65 MET CG C 13 27.861 0.04 . . . . . . . 154 MET CG . 50544 1 556 . 1 . 1 65 65 MET N N 15 119.717 0.02 . . . . . . . 154 MET N . 50544 1 557 . 1 . 1 66 66 HIS H H 1 8.048 0.00 . . . . . . . 155 HIS H . 50544 1 558 . 1 . 1 66 66 HIS HA H 1 4.213 0.00 . . . . . . . 155 HIS HA . 50544 1 559 . 1 . 1 66 66 HIS HB2 H 1 3.220 0.00 . . . . . . . 155 HIS HB2 . 50544 1 560 . 1 . 1 66 66 HIS HB3 H 1 2.961 0.01 . . . . . . . 155 HIS HB3 . 50544 1 561 . 1 . 1 66 66 HIS C C 13 172.346 0.00 . . . . . . . 155 HIS C . 50544 1 562 . 1 . 1 66 66 HIS CA C 13 54.882 0.04 . . . . . . . 155 HIS CA . 50544 1 563 . 1 . 1 66 66 HIS CB C 13 24.634 0.02 . . . . . . . 155 HIS CB . 50544 1 564 . 1 . 1 66 66 HIS N N 15 115.332 0.06 . . . . . . . 155 HIS N . 50544 1 565 . 1 . 1 67 67 ARG H H 1 7.577 0.00 . . . . . . . 156 ARG H . 50544 1 566 . 1 . 1 67 67 ARG HA H 1 4.114 0.00 . . . . . . . 156 ARG HA . 50544 1 567 . 1 . 1 67 67 ARG HB2 H 1 2.026 0.00 . . . . . . . 156 ARG HB2 . 50544 1 568 . 1 . 1 67 67 ARG HB3 H 1 1.327 0.01 . . . . . . . 156 ARG HB3 . 50544 1 569 . 1 . 1 67 67 ARG C C 13 173.880 0.01 . . . . . . . 156 ARG C . 50544 1 570 . 1 . 1 67 67 ARG CA C 13 53.402 0.04 . . . . . . . 156 ARG CA . 50544 1 571 . 1 . 1 67 67 ARG CB C 13 27.837 0.03 . . . . . . . 156 ARG CB . 50544 1 572 . 1 . 1 67 67 ARG CG C 13 24.240 0.00 . . . . . . . 156 ARG CG . 50544 1 573 . 1 . 1 67 67 ARG N N 15 118.381 0.01 . . . . . . . 156 ARG N . 50544 1 574 . 1 . 1 68 68 TYR H H 1 7.424 0.00 . . . . . . . 157 TYR H . 50544 1 575 . 1 . 1 68 68 TYR HA H 1 4.891 0.01 . . . . . . . 157 TYR HA . 50544 1 576 . 1 . 1 68 68 TYR HB2 H 1 3.069 0.00 . . . . . . . 157 TYR HB2 . 50544 1 577 . 1 . 1 68 68 TYR HB3 H 1 3.050 0.00 . . . . . . . 157 TYR HB3 . 50544 1 578 . 1 . 1 68 68 TYR C C 13 170.400 0.00 . . . . . . . 157 TYR C . 50544 1 579 . 1 . 1 68 68 TYR CA C 13 50.302 0.03 . . . . . . . 157 TYR CA . 50544 1 580 . 1 . 1 68 68 TYR CB C 13 32.043 0.04 . . . . . . . 157 TYR CB . 50544 1 581 . 1 . 1 68 68 TYR N N 15 120.943 0.02 . . . . . . . 157 TYR N . 50544 1 582 . 1 . 1 69 69 PRO HA H 1 4.058 0.02 . . . . . . . 158 PRO HA . 50544 1 583 . 1 . 1 69 69 PRO HB2 H 1 2.345 0.00 . . . . . . . 158 PRO HB2 . 50544 1 584 . 1 . 1 69 69 PRO HB3 H 1 1.560 0.00 . . . . . . . 158 PRO HB3 . 50544 1 585 . 1 . 1 69 69 PRO HG2 H 1 1.262 0.00 . . . . . . . 158 PRO HG2 . 50544 1 586 . 1 . 1 69 69 PRO HG3 H 1 1.534 0.00 . . . . . . . 158 PRO HG3 . 50544 1 587 . 1 . 1 69 69 PRO HD2 H 1 3.235 0.00 . . . . . . . 158 PRO HD2 . 50544 1 588 . 1 . 1 69 69 PRO HD3 H 1 3.062 0.01 . . . . . . . 158 PRO HD3 . 50544 1 589 . 1 . 1 69 69 PRO C C 13 172.683 0.01 . . . . . . . 158 PRO C . 50544 1 590 . 1 . 1 69 69 PRO CA C 13 61.490 0.04 . . . . . . . 158 PRO CA . 50544 1 591 . 1 . 1 69 69 PRO CB C 13 29.219 0.06 . . . . . . . 158 PRO CB . 50544 1 592 . 1 . 1 69 69 PRO CG C 13 24.568 0.05 . . . . . . . 158 PRO CG . 50544 1 593 . 1 . 1 69 69 PRO CD C 13 47.283 0.13 . . . . . . . 158 PRO CD . 50544 1 594 . 1 . 1 70 70 ASN H H 1 8.529 0.00 . . . . . . . 159 ASN H . 50544 1 595 . 1 . 1 70 70 ASN HA H 1 4.645 0.00 . . . . . . . 159 ASN HA . 50544 1 596 . 1 . 1 70 70 ASN HB2 H 1 3.165 0.00 . . . . . . . 159 ASN HB2 . 50544 1 597 . 1 . 1 70 70 ASN HB3 H 1 2.550 0.00 . . . . . . . 159 ASN HB3 . 50544 1 598 . 1 . 1 70 70 ASN C C 13 170.538 0.02 . . . . . . . 159 ASN C . 50544 1 599 . 1 . 1 70 70 ASN CA C 13 49.295 0.08 . . . . . . . 159 ASN CA . 50544 1 600 . 1 . 1 70 70 ASN CB C 13 35.787 0.03 . . . . . . . 159 ASN CB . 50544 1 601 . 1 . 1 70 70 ASN N N 15 118.444 0.03 . . . . . . . 159 ASN N . 50544 1 602 . 1 . 1 71 71 GLN H H 1 7.297 0.01 . . . . . . . 160 GLN H . 50544 1 603 . 1 . 1 71 71 GLN HA H 1 4.787 0.00 . . . . . . . 160 GLN HA . 50544 1 604 . 1 . 1 71 71 GLN HB2 H 1 1.833 0.00 . . . . . . . 160 GLN HB2 . 50544 1 605 . 1 . 1 71 71 GLN HB3 H 1 1.571 0.00 . . . . . . . 160 GLN HB3 . 50544 1 606 . 1 . 1 71 71 GLN HG2 H 1 2.047 0.00 . . . . . . . 160 GLN HG2 . 50544 1 607 . 1 . 1 71 71 GLN C C 13 171.102 0.00 . . . . . . . 160 GLN C . 50544 1 608 . 1 . 1 71 71 GLN CA C 13 51.222 0.01 . . . . . . . 160 GLN CA . 50544 1 609 . 1 . 1 71 71 GLN CB C 13 29.441 0.15 . . . . . . . 160 GLN CB . 50544 1 610 . 1 . 1 71 71 GLN N N 15 115.451 0.09 . . . . . . . 160 GLN N . 50544 1 611 . 1 . 1 73 73 TYR HA H 1 5.357 0.00 . . . . . . . 162 TYR HA . 50544 1 612 . 1 . 1 73 73 TYR HB2 H 1 2.655 0.00 . . . . . . . 162 TYR HB2 . 50544 1 613 . 1 . 1 73 73 TYR HB3 H 1 2.548 0.00 . . . . . . . 162 TYR HB3 . 50544 1 614 . 1 . 1 73 73 TYR C C 13 171.135 0.00 . . . . . . . 162 TYR C . 50544 1 615 . 1 . 1 73 73 TYR CA C 13 53.542 0.07 . . . . . . . 162 TYR CA . 50544 1 616 . 1 . 1 73 73 TYR CB C 13 39.027 0.09 . . . . . . . 162 TYR CB . 50544 1 617 . 1 . 1 74 74 TYR H H 1 8.228 0.00 . . . . . . . 163 TYR H . 50544 1 618 . 1 . 1 74 74 TYR HA H 1 4.649 0.00 . . . . . . . 163 TYR HA . 50544 1 619 . 1 . 1 74 74 TYR HB2 H 1 2.690 0.00 . . . . . . . 163 TYR HB2 . 50544 1 620 . 1 . 1 74 74 TYR HB3 H 1 2.584 0.00 . . . . . . . 163 TYR HB3 . 50544 1 621 . 1 . 1 74 74 TYR C C 13 170.180 0.00 . . . . . . . 163 TYR C . 50544 1 622 . 1 . 1 74 74 TYR CA C 13 52.918 0.01 . . . . . . . 163 TYR CA . 50544 1 623 . 1 . 1 74 74 TYR CB C 13 36.284 0.05 . . . . . . . 163 TYR CB . 50544 1 624 . 1 . 1 74 74 TYR N N 15 112.145 0.03 . . . . . . . 163 TYR N . 50544 1 625 . 1 . 1 75 75 ARG H H 1 7.957 0.00 . . . . . . . 164 ARG H . 50544 1 626 . 1 . 1 75 75 ARG N N 15 119.209 0.00 . . . . . . . 164 ARG N . 50544 1 627 . 1 . 1 76 76 PRO HA H 1 4.359 0.00 . . . . . . . 165 PRO HA . 50544 1 628 . 1 . 1 76 76 PRO HB2 H 1 2.348 0.00 . . . . . . . 165 PRO HB2 . 50544 1 629 . 1 . 1 76 76 PRO HB3 H 1 1.887 0.00 . . . . . . . 165 PRO HB3 . 50544 1 630 . 1 . 1 76 76 PRO HG2 H 1 2.042 0.00 . . . . . . . 165 PRO HG2 . 50544 1 631 . 1 . 1 76 76 PRO HG3 H 1 1.831 0.00 . . . . . . . 165 PRO HG3 . 50544 1 632 . 1 . 1 76 76 PRO HD2 H 1 3.496 0.00 . . . . . . . 165 PRO HD2 . 50544 1 633 . 1 . 1 76 76 PRO C C 13 174.784 0.00 . . . . . . . 165 PRO C . 50544 1 634 . 1 . 1 76 76 PRO CA C 13 60.618 0.04 . . . . . . . 165 PRO CA . 50544 1 635 . 1 . 1 76 76 PRO CB C 13 29.815 0.12 . . . . . . . 165 PRO CB . 50544 1 636 . 1 . 1 76 76 PRO CG C 13 25.383 0.04 . . . . . . . 165 PRO CG . 50544 1 637 . 1 . 1 76 76 PRO CD C 13 47.456 0.02 . . . . . . . 165 PRO CD . 50544 1 638 . 1 . 1 77 77 MET H H 1 8.650 0.00 . . . . . . . 166 MET H . 50544 1 639 . 1 . 1 77 77 MET HA H 1 4.347 0.00 . . . . . . . 166 MET HA . 50544 1 640 . 1 . 1 77 77 MET HB2 H 1 1.764 0.00 . . . . . . . 166 MET HB2 . 50544 1 641 . 1 . 1 77 77 MET HB3 H 1 1.722 0.00 . . . . . . . 166 MET HB3 . 50544 1 642 . 1 . 1 77 77 MET HG2 H 1 2.234 0.00 . . . . . . . 166 MET HG2 . 50544 1 643 . 1 . 1 77 77 MET CA C 13 55.419 0.09 . . . . . . . 166 MET CA . 50544 1 644 . 1 . 1 77 77 MET CG C 13 29.754 0.03 . . . . . . . 166 MET CG . 50544 1 645 . 1 . 1 77 77 MET N N 15 120.556 0.02 . . . . . . . 166 MET N . 50544 1 646 . 1 . 1 82 82 ASN HA H 1 4.672 0.00 . . . . . . . 171 ASN HA . 50544 1 647 . 1 . 1 82 82 ASN HB2 H 1 2.988 0.00 . . . . . . . 171 ASN HB2 . 50544 1 648 . 1 . 1 82 82 ASN HB3 H 1 2.971 0.00 . . . . . . . 171 ASN HB3 . 50544 1 649 . 1 . 1 82 82 ASN C C 13 171.358 0.00 . . . . . . . 171 ASN C . 50544 1 650 . 1 . 1 82 82 ASN CA C 13 49.644 0.04 . . . . . . . 171 ASN CA . 50544 1 651 . 1 . 1 82 82 ASN CB C 13 37.141 0.04 . . . . . . . 171 ASN CB . 50544 1 652 . 1 . 1 83 83 GLN H H 1 8.553 0.00 . . . . . . . 172 GLN H . 50544 1 653 . 1 . 1 83 83 GLN HA H 1 2.783 0.00 . . . . . . . 172 GLN HA . 50544 1 654 . 1 . 1 83 83 GLN HB2 H 1 1.571 0.00 . . . . . . . 172 GLN HB2 . 50544 1 655 . 1 . 1 83 83 GLN HB3 H 1 1.512 0.00 . . . . . . . 172 GLN HB3 . 50544 1 656 . 1 . 1 83 83 GLN HG2 H 1 1.736 0.01 . . . . . . . 172 GLN HG2 . 50544 1 657 . 1 . 1 83 83 GLN HG3 H 1 1.114 0.00 . . . . . . . 172 GLN HG3 . 50544 1 658 . 1 . 1 83 83 GLN C C 13 174.132 0.00 . . . . . . . 172 GLN C . 50544 1 659 . 1 . 1 83 83 GLN CA C 13 56.435 0.04 . . . . . . . 172 GLN CA . 50544 1 660 . 1 . 1 83 83 GLN CB C 13 26.229 0.01 . . . . . . . 172 GLN CB . 50544 1 661 . 1 . 1 83 83 GLN CG C 13 30.725 0.06 . . . . . . . 172 GLN CG . 50544 1 662 . 1 . 1 83 83 GLN N N 15 119.959 0.03 . . . . . . . 172 GLN N . 50544 1 663 . 1 . 1 84 84 ASN H H 1 8.316 0.00 . . . . . . . 173 ASN H . 50544 1 664 . 1 . 1 84 84 ASN HA H 1 4.104 0.02 . . . . . . . 173 ASN HA . 50544 1 665 . 1 . 1 84 84 ASN HB2 H 1 2.644 0.00 . . . . . . . 173 ASN HB2 . 50544 1 666 . 1 . 1 84 84 ASN HB3 H 1 2.567 0.00 . . . . . . . 173 ASN HB3 . 50544 1 667 . 1 . 1 84 84 ASN C C 13 175.099 0.02 . . . . . . . 173 ASN C . 50544 1 668 . 1 . 1 84 84 ASN CA C 13 53.752 0.04 . . . . . . . 173 ASN CA . 50544 1 669 . 1 . 1 84 84 ASN CB C 13 35.085 0.08 . . . . . . . 173 ASN CB . 50544 1 670 . 1 . 1 84 84 ASN N N 15 117.153 0.02 . . . . . . . 173 ASN N . 50544 1 671 . 1 . 1 85 85 ASN H H 1 8.520 0.00 . . . . . . . 174 ASN H . 50544 1 672 . 1 . 1 85 85 ASN HA H 1 4.461 0.00 . . . . . . . 174 ASN HA . 50544 1 673 . 1 . 1 85 85 ASN HB2 H 1 3.024 0.00 . . . . . . . 174 ASN HB2 . 50544 1 674 . 1 . 1 85 85 ASN HB3 H 1 2.834 0.00 . . . . . . . 174 ASN HB3 . 50544 1 675 . 1 . 1 85 85 ASN C C 13 174.459 0.00 . . . . . . . 174 ASN C . 50544 1 676 . 1 . 1 85 85 ASN CA C 13 53.278 0.07 . . . . . . . 174 ASN CA . 50544 1 677 . 1 . 1 85 85 ASN CB C 13 35.352 0.06 . . . . . . . 174 ASN CB . 50544 1 678 . 1 . 1 85 85 ASN N N 15 118.263 0.03 . . . . . . . 174 ASN N . 50544 1 679 . 1 . 1 86 86 PHE C C 13 174.736 0.00 . . . . . . . 175 PHE C . 50544 1 680 . 1 . 1 86 86 PHE CA C 13 58.659 0.04 . . . . . . . 175 PHE CA . 50544 1 681 . 1 . 1 86 86 PHE CB C 13 36.420 0.00 . . . . . . . 175 PHE CB . 50544 1 682 . 1 . 1 87 87 VAL H H 1 8.828 0.00 . . . . . . . 176 VAL H . 50544 1 683 . 1 . 1 87 87 VAL HA H 1 3.258 0.01 . . . . . . . 176 VAL HA . 50544 1 684 . 1 . 1 87 87 VAL HB H 1 2.083 0.01 . . . . . . . 176 VAL HB . 50544 1 685 . 1 . 1 87 87 VAL HG11 H 1 0.951 0.00 . . . . . . . 176 VAL HG11 . 50544 1 686 . 1 . 1 87 87 VAL HG12 H 1 0.951 0.00 . . . . . . . 176 VAL HG11 . 50544 1 687 . 1 . 1 87 87 VAL HG13 H 1 0.951 0.00 . . . . . . . 176 VAL HG11 . 50544 1 688 . 1 . 1 87 87 VAL HG21 H 1 0.903 0.00 . . . . . . . 176 VAL HG21 . 50544 1 689 . 1 . 1 87 87 VAL HG22 H 1 0.903 0.00 . . . . . . . 176 VAL HG21 . 50544 1 690 . 1 . 1 87 87 VAL HG23 H 1 0.903 0.00 . . . . . . . 176 VAL HG21 . 50544 1 691 . 1 . 1 87 87 VAL C C 13 174.109 0.00 . . . . . . . 176 VAL C . 50544 1 692 . 1 . 1 87 87 VAL CA C 13 65.009 0.05 . . . . . . . 176 VAL CA . 50544 1 693 . 1 . 1 87 87 VAL CB C 13 29.035 0.03 . . . . . . . 176 VAL CB . 50544 1 694 . 1 . 1 87 87 VAL CG1 C 13 21.911 0.07 . . . . . . . 176 VAL CG1 . 50544 1 695 . 1 . 1 87 87 VAL CG2 C 13 18.983 0.09 . . . . . . . 176 VAL CG2 . 50544 1 696 . 1 . 1 87 87 VAL N N 15 120.014 0.01 . . . . . . . 176 VAL N . 50544 1 697 . 1 . 1 88 88 HIS H H 1 8.224 0.00 . . . . . . . 177 HIS H . 50544 1 698 . 1 . 1 88 88 HIS HA H 1 4.184 0.00 . . . . . . . 177 HIS HA . 50544 1 699 . 1 . 1 88 88 HIS HB2 H 1 3.281 0.00 . . . . . . . 177 HIS HB2 . 50544 1 700 . 1 . 1 88 88 HIS HB3 H 1 3.223 0.00 . . . . . . . 177 HIS HB3 . 50544 1 701 . 1 . 1 88 88 HIS C C 13 174.312 0.02 . . . . . . . 177 HIS C . 50544 1 702 . 1 . 1 88 88 HIS CA C 13 56.565 0.03 . . . . . . . 177 HIS CA . 50544 1 703 . 1 . 1 88 88 HIS CB C 13 25.495 0.09 . . . . . . . 177 HIS CB . 50544 1 704 . 1 . 1 88 88 HIS N N 15 116.295 0.02 . . . . . . . 177 HIS N . 50544 1 705 . 1 . 1 89 89 ASP H H 1 7.485 0.00 . . . . . . . 178 ASP H . 50544 1 706 . 1 . 1 89 89 ASP HA H 1 4.506 0.00 . . . . . . . 178 ASP HA . 50544 1 707 . 1 . 1 89 89 ASP HB2 H 1 2.783 0.00 . . . . . . . 178 ASP HB2 . 50544 1 708 . 1 . 1 89 89 ASP HB3 H 1 2.601 0.00 . . . . . . . 178 ASP HB3 . 50544 1 709 . 1 . 1 89 89 ASP C C 13 173.341 0.02 . . . . . . . 178 ASP C . 50544 1 710 . 1 . 1 89 89 ASP CA C 13 54.491 0.04 . . . . . . . 178 ASP CA . 50544 1 711 . 1 . 1 89 89 ASP CB C 13 37.873 0.03 . . . . . . . 178 ASP CB . 50544 1 712 . 1 . 1 89 89 ASP N N 15 118.502 0.02 . . . . . . . 178 ASP N . 50544 1 713 . 1 . 1 90 90 CYS H H 1 8.145 0.00 . . . . . . . 179 CYS H . 50544 1 714 . 1 . 1 90 90 CYS HA H 1 4.571 0.00 . . . . . . . 179 CYS HA . 50544 1 715 . 1 . 1 90 90 CYS HB2 H 1 3.051 0.00 . . . . . . . 179 CYS HB2 . 50544 1 716 . 1 . 1 90 90 CYS HB3 H 1 2.562 0.00 . . . . . . . 179 CYS HB3 . 50544 1 717 . 1 . 1 90 90 CYS C C 13 174.448 0.01 . . . . . . . 179 CYS C . 50544 1 718 . 1 . 1 90 90 CYS CA C 13 56.146 0.05 . . . . . . . 179 CYS CA . 50544 1 719 . 1 . 1 90 90 CYS CB C 13 37.593 0.07 . . . . . . . 179 CYS CB . 50544 1 720 . 1 . 1 90 90 CYS N N 15 119.622 0.04 . . . . . . . 179 CYS N . 50544 1 721 . 1 . 1 91 91 VAL H H 1 8.953 0.00 . . . . . . . 180 VAL H . 50544 1 722 . 1 . 1 91 91 VAL HA H 1 3.574 0.00 . . . . . . . 180 VAL HA . 50544 1 723 . 1 . 1 91 91 VAL HB H 1 2.072 0.01 . . . . . . . 180 VAL HB . 50544 1 724 . 1 . 1 91 91 VAL HG11 H 1 0.957 0.00 . . . . . . . 180 VAL HG11 . 50544 1 725 . 1 . 1 91 91 VAL HG12 H 1 0.957 0.00 . . . . . . . 180 VAL HG11 . 50544 1 726 . 1 . 1 91 91 VAL HG13 H 1 0.957 0.00 . . . . . . . 180 VAL HG11 . 50544 1 727 . 1 . 1 91 91 VAL HG21 H 1 0.853 0.00 . . . . . . . 180 VAL HG21 . 50544 1 728 . 1 . 1 91 91 VAL HG22 H 1 0.853 0.00 . . . . . . . 180 VAL HG21 . 50544 1 729 . 1 . 1 91 91 VAL HG23 H 1 0.853 0.00 . . . . . . . 180 VAL HG21 . 50544 1 730 . 1 . 1 91 91 VAL C C 13 174.448 0.00 . . . . . . . 180 VAL C . 50544 1 731 . 1 . 1 91 91 VAL CA C 13 63.450 0.04 . . . . . . . 180 VAL CA . 50544 1 732 . 1 . 1 91 91 VAL CB C 13 28.946 0.04 . . . . . . . 180 VAL CB . 50544 1 733 . 1 . 1 91 91 VAL CG1 C 13 20.434 0.10 . . . . . . . 180 VAL CG1 . 50544 1 734 . 1 . 1 91 91 VAL CG2 C 13 18.765 0.10 . . . . . . . 180 VAL CG2 . 50544 1 735 . 1 . 1 91 91 VAL N N 15 124.065 0.02 . . . . . . . 180 VAL N . 50544 1 736 . 1 . 1 92 92 ASN H H 1 7.506 0.00 . . . . . . . 181 ASN H . 50544 1 737 . 1 . 1 92 92 ASN HA H 1 4.240 0.00 . . . . . . . 181 ASN HA . 50544 1 738 . 1 . 1 92 92 ASN HB2 H 1 2.755 0.00 . . . . . . . 181 ASN HB2 . 50544 1 739 . 1 . 1 92 92 ASN C C 13 175.931 0.00 . . . . . . . 181 ASN C . 50544 1 740 . 1 . 1 92 92 ASN CA C 13 53.904 0.03 . . . . . . . 181 ASN CA . 50544 1 741 . 1 . 1 92 92 ASN CB C 13 35.953 0.05 . . . . . . . 181 ASN CB . 50544 1 742 . 1 . 1 92 92 ASN N N 15 116.779 0.02 . . . . . . . 181 ASN N . 50544 1 743 . 1 . 1 93 93 ILE H H 1 9.143 0.00 . . . . . . . 182 ILE H . 50544 1 744 . 1 . 1 93 93 ILE HA H 1 3.582 0.00 . . . . . . . 182 ILE HA . 50544 1 745 . 1 . 1 93 93 ILE HB H 1 1.748 0.00 . . . . . . . 182 ILE HB . 50544 1 746 . 1 . 1 93 93 ILE HG12 H 1 0.960 0.00 . . . . . . . 182 ILE HG12 . 50544 1 747 . 1 . 1 93 93 ILE HG13 H 1 0.942 0.00 . . . . . . . 182 ILE HG13 . 50544 1 748 . 1 . 1 93 93 ILE HG21 H 1 0.704 0.00 . . . . . . . 182 ILE HG21 . 50544 1 749 . 1 . 1 93 93 ILE HG22 H 1 0.704 0.00 . . . . . . . 182 ILE HG21 . 50544 1 750 . 1 . 1 93 93 ILE HG23 H 1 0.704 0.00 . . . . . . . 182 ILE HG21 . 50544 1 751 . 1 . 1 93 93 ILE HD11 H 1 0.605 0.00 . . . . . . . 182 ILE HD11 . 50544 1 752 . 1 . 1 93 93 ILE HD12 H 1 0.605 0.00 . . . . . . . 182 ILE HD11 . 50544 1 753 . 1 . 1 93 93 ILE HD13 H 1 0.605 0.00 . . . . . . . 182 ILE HD11 . 50544 1 754 . 1 . 1 93 93 ILE C C 13 175.869 0.00 . . . . . . . 182 ILE C . 50544 1 755 . 1 . 1 93 93 ILE CA C 13 62.400 0.10 . . . . . . . 182 ILE CA . 50544 1 756 . 1 . 1 93 93 ILE CB C 13 35.238 0.04 . . . . . . . 182 ILE CB . 50544 1 757 . 1 . 1 93 93 ILE CG1 C 13 25.978 0.09 . . . . . . . 182 ILE CG1 . 50544 1 758 . 1 . 1 93 93 ILE CG2 C 13 16.195 0.05 . . . . . . . 182 ILE CG2 . 50544 1 759 . 1 . 1 93 93 ILE CD1 C 13 10.710 0.06 . . . . . . . 182 ILE CD1 . 50544 1 760 . 1 . 1 93 93 ILE N N 15 119.540 0.02 . . . . . . . 182 ILE N . 50544 1 761 . 1 . 1 94 94 THR H H 1 8.293 0.00 . . . . . . . 183 THR H . 50544 1 762 . 1 . 1 94 94 THR HA H 1 3.967 0.00 . . . . . . . 183 THR HA . 50544 1 763 . 1 . 1 94 94 THR HB H 1 4.475 0.00 . . . . . . . 183 THR HB . 50544 1 764 . 1 . 1 94 94 THR HG21 H 1 1.452 0.00 . . . . . . . 183 THR HG21 . 50544 1 765 . 1 . 1 94 94 THR HG22 H 1 1.452 0.00 . . . . . . . 183 THR HG21 . 50544 1 766 . 1 . 1 94 94 THR HG23 H 1 1.452 0.00 . . . . . . . 183 THR HG21 . 50544 1 767 . 1 . 1 94 94 THR C C 13 174.446 0.00 . . . . . . . 183 THR C . 50544 1 768 . 1 . 1 94 94 THR CA C 13 66.112 0.03 . . . . . . . 183 THR CA . 50544 1 769 . 1 . 1 94 94 THR CB C 13 65.792 0.06 . . . . . . . 183 THR CB . 50544 1 770 . 1 . 1 94 94 THR CG2 C 13 19.806 0.05 . . . . . . . 183 THR CG2 . 50544 1 771 . 1 . 1 94 94 THR N N 15 117.340 0.03 . . . . . . . 183 THR N . 50544 1 772 . 1 . 1 95 95 ILE H H 1 8.501 0.00 . . . . . . . 184 ILE H . 50544 1 773 . 1 . 1 95 95 ILE HA H 1 3.597 0.00 . . . . . . . 184 ILE HA . 50544 1 774 . 1 . 1 95 95 ILE HB H 1 1.981 0.00 . . . . . . . 184 ILE HB . 50544 1 775 . 1 . 1 95 95 ILE HG12 H 1 1.783 0.00 . . . . . . . 184 ILE HG12 . 50544 1 776 . 1 . 1 95 95 ILE HG13 H 1 1.060 0.00 . . . . . . . 184 ILE HG13 . 50544 1 777 . 1 . 1 95 95 ILE HG21 H 1 0.795 0.00 . . . . . . . 184 ILE HG21 . 50544 1 778 . 1 . 1 95 95 ILE HG22 H 1 0.795 0.00 . . . . . . . 184 ILE HG21 . 50544 1 779 . 1 . 1 95 95 ILE HG23 H 1 0.795 0.00 . . . . . . . 184 ILE HG21 . 50544 1 780 . 1 . 1 95 95 ILE HD11 H 1 0.690 0.00 . . . . . . . 184 ILE HD11 . 50544 1 781 . 1 . 1 95 95 ILE HD12 H 1 0.690 0.00 . . . . . . . 184 ILE HD11 . 50544 1 782 . 1 . 1 95 95 ILE HD13 H 1 0.690 0.00 . . . . . . . 184 ILE HD11 . 50544 1 783 . 1 . 1 95 95 ILE C C 13 176.123 0.02 . . . . . . . 184 ILE C . 50544 1 784 . 1 . 1 95 95 ILE CA C 13 63.245 0.03 . . . . . . . 184 ILE CA . 50544 1 785 . 1 . 1 95 95 ILE CB C 13 34.155 0.07 . . . . . . . 184 ILE CB . 50544 1 786 . 1 . 1 95 95 ILE CG1 C 13 27.567 0.08 . . . . . . . 184 ILE CG1 . 50544 1 787 . 1 . 1 95 95 ILE CG2 C 13 13.969 0.06 . . . . . . . 184 ILE CG2 . 50544 1 788 . 1 . 1 95 95 ILE CD1 C 13 10.397 0.04 . . . . . . . 184 ILE CD1 . 50544 1 789 . 1 . 1 95 95 ILE N N 15 120.707 0.02 . . . . . . . 184 ILE N . 50544 1 790 . 1 . 1 96 96 LYS H H 1 8.034 0.00 . . . . . . . 185 LYS H . 50544 1 791 . 1 . 1 96 96 LYS HA H 1 4.004 0.00 . . . . . . . 185 LYS HA . 50544 1 792 . 1 . 1 96 96 LYS HB2 H 1 1.841 0.01 . . . . . . . 185 LYS HB2 . 50544 1 793 . 1 . 1 96 96 LYS C C 13 175.954 0.01 . . . . . . . 185 LYS C . 50544 1 794 . 1 . 1 96 96 LYS CA C 13 57.136 0.10 . . . . . . . 185 LYS CA . 50544 1 795 . 1 . 1 96 96 LYS CB C 13 29.224 0.03 . . . . . . . 185 LYS CB . 50544 1 796 . 1 . 1 96 96 LYS CG C 13 22.288 0.00 . . . . . . . 185 LYS CG . 50544 1 797 . 1 . 1 96 96 LYS N N 15 122.732 0.05 . . . . . . . 185 LYS N . 50544 1 798 . 1 . 1 97 97 GLN H H 1 8.254 0.00 . . . . . . . 186 GLN H . 50544 1 799 . 1 . 1 97 97 GLN HA H 1 3.877 0.00 . . . . . . . 186 GLN HA . 50544 1 800 . 1 . 1 97 97 GLN HB2 H 1 1.642 0.00 . . . . . . . 186 GLN HB2 . 50544 1 801 . 1 . 1 97 97 GLN HG2 H 1 1.466 0.00 . . . . . . . 186 GLN HG2 . 50544 1 802 . 1 . 1 97 97 GLN C C 13 175.764 0.01 . . . . . . . 186 GLN C . 50544 1 803 . 1 . 1 97 97 GLN CA C 13 55.185 0.04 . . . . . . . 186 GLN CA . 50544 1 804 . 1 . 1 97 97 GLN CB C 13 24.999 0.07 . . . . . . . 186 GLN CB . 50544 1 805 . 1 . 1 97 97 GLN CG C 13 30.346 0.05 . . . . . . . 186 GLN CG . 50544 1 806 . 1 . 1 97 97 GLN N N 15 117.018 0.02 . . . . . . . 186 GLN N . 50544 1 807 . 1 . 1 98 98 HIS H H 1 8.276 0.00 . . . . . . . 187 HIS H . 50544 1 808 . 1 . 1 98 98 HIS HA H 1 4.438 0.01 . . . . . . . 187 HIS HA . 50544 1 809 . 1 . 1 98 98 HIS HB2 H 1 3.245 0.00 . . . . . . . 187 HIS HB2 . 50544 1 810 . 1 . 1 98 98 HIS HB3 H 1 3.118 0.00 . . . . . . . 187 HIS HB3 . 50544 1 811 . 1 . 1 98 98 HIS C C 13 174.834 0.02 . . . . . . . 187 HIS C . 50544 1 812 . 1 . 1 98 98 HIS CA C 13 56.491 0.04 . . . . . . . 187 HIS CA . 50544 1 813 . 1 . 1 98 98 HIS CB C 13 28.586 0.11 . . . . . . . 187 HIS CB . 50544 1 814 . 1 . 1 98 98 HIS N N 15 118.459 0.04 . . . . . . . 187 HIS N . 50544 1 815 . 1 . 1 99 99 THR H H 1 8.324 0.00 . . . . . . . 188 THR H . 50544 1 816 . 1 . 1 99 99 THR HA H 1 4.002 0.00 . . . . . . . 188 THR HA . 50544 1 817 . 1 . 1 99 99 THR HB H 1 4.333 0.00 . . . . . . . 188 THR HB . 50544 1 818 . 1 . 1 99 99 THR HG21 H 1 1.165 0.00 . . . . . . . 188 THR HG21 . 50544 1 819 . 1 . 1 99 99 THR HG22 H 1 1.165 0.00 . . . . . . . 188 THR HG21 . 50544 1 820 . 1 . 1 99 99 THR HG23 H 1 1.165 0.00 . . . . . . . 188 THR HG21 . 50544 1 821 . 1 . 1 99 99 THR C C 13 173.508 0.00 . . . . . . . 188 THR C . 50544 1 822 . 1 . 1 99 99 THR CA C 13 63.175 0.03 . . . . . . . 188 THR CA . 50544 1 823 . 1 . 1 99 99 THR CB C 13 66.219 0.08 . . . . . . . 188 THR CB . 50544 1 824 . 1 . 1 99 99 THR CG2 C 13 18.459 0.00 . . . . . . . 188 THR CG2 . 50544 1 825 . 1 . 1 99 99 THR N N 15 114.387 0.02 . . . . . . . 188 THR N . 50544 1 826 . 1 . 1 100 100 VAL H H 1 8.046 0.00 . . . . . . . 189 VAL H . 50544 1 827 . 1 . 1 100 100 VAL HA H 1 3.865 0.00 . . . . . . . 189 VAL HA . 50544 1 828 . 1 . 1 100 100 VAL HB H 1 2.113 0.00 . . . . . . . 189 VAL HB . 50544 1 829 . 1 . 1 100 100 VAL HG11 H 1 0.946 0.00 . . . . . . . 189 VAL HG11 . 50544 1 830 . 1 . 1 100 100 VAL HG12 H 1 0.946 0.00 . . . . . . . 189 VAL HG11 . 50544 1 831 . 1 . 1 100 100 VAL HG13 H 1 0.946 0.00 . . . . . . . 189 VAL HG11 . 50544 1 832 . 1 . 1 100 100 VAL HG21 H 1 0.861 0.00 . . . . . . . 189 VAL HG21 . 50544 1 833 . 1 . 1 100 100 VAL HG22 H 1 0.861 0.00 . . . . . . . 189 VAL HG21 . 50544 1 834 . 1 . 1 100 100 VAL HG23 H 1 0.861 0.00 . . . . . . . 189 VAL HG21 . 50544 1 835 . 1 . 1 100 100 VAL C C 13 175.186 0.01 . . . . . . . 189 VAL C . 50544 1 836 . 1 . 1 100 100 VAL CA C 13 62.717 0.06 . . . . . . . 189 VAL CA . 50544 1 837 . 1 . 1 100 100 VAL CB C 13 29.063 0.04 . . . . . . . 189 VAL CB . 50544 1 838 . 1 . 1 100 100 VAL CG1 C 13 19.057 0.00 . . . . . . . 189 VAL CG1 . 50544 1 839 . 1 . 1 100 100 VAL CG2 C 13 18.323 0.00 . . . . . . . 189 VAL CG2 . 50544 1 840 . 1 . 1 100 100 VAL N N 15 122.105 0.03 . . . . . . . 189 VAL N . 50544 1 841 . 1 . 1 101 101 THR H H 1 7.808 0.00 . . . . . . . 190 THR H . 50544 1 842 . 1 . 1 101 101 THR HA H 1 4.132 0.00 . . . . . . . 190 THR HA . 50544 1 843 . 1 . 1 101 101 THR HB H 1 4.201 0.00 . . . . . . . 190 THR HB . 50544 1 844 . 1 . 1 101 101 THR HG21 H 1 1.183 0.00 . . . . . . . 190 THR HG21 . 50544 1 845 . 1 . 1 101 101 THR HG22 H 1 1.183 0.00 . . . . . . . 190 THR HG21 . 50544 1 846 . 1 . 1 101 101 THR HG23 H 1 1.183 0.00 . . . . . . . 190 THR HG21 . 50544 1 847 . 1 . 1 101 101 THR C C 13 173.546 0.21 . . . . . . . 190 THR C . 50544 1 848 . 1 . 1 101 101 THR CA C 13 61.682 0.05 . . . . . . . 190 THR CA . 50544 1 849 . 1 . 1 101 101 THR CB C 13 66.580 0.07 . . . . . . . 190 THR CB . 50544 1 850 . 1 . 1 101 101 THR CG2 C 13 18.870 0.00 . . . . . . . 190 THR CG2 . 50544 1 851 . 1 . 1 101 101 THR N N 15 114.127 0.01 . . . . . . . 190 THR N . 50544 1 852 . 1 . 1 102 102 THR H H 1 7.896 0.00 . . . . . . . 191 THR H . 50544 1 853 . 1 . 1 102 102 THR HA H 1 4.094 0.00 . . . . . . . 191 THR HA . 50544 1 854 . 1 . 1 102 102 THR HB H 1 4.035 0.00 . . . . . . . 191 THR HB . 50544 1 855 . 1 . 1 102 102 THR HG21 H 1 0.926 0.00 . . . . . . . 191 THR HG21 . 50544 1 856 . 1 . 1 102 102 THR HG22 H 1 0.926 0.00 . . . . . . . 191 THR HG21 . 50544 1 857 . 1 . 1 102 102 THR HG23 H 1 0.926 0.00 . . . . . . . 191 THR HG21 . 50544 1 858 . 1 . 1 102 102 THR C C 13 173.856 0.01 . . . . . . . 191 THR C . 50544 1 859 . 1 . 1 102 102 THR CA C 13 61.497 0.06 . . . . . . . 191 THR CA . 50544 1 860 . 1 . 1 102 102 THR CB C 13 66.340 0.06 . . . . . . . 191 THR CB . 50544 1 861 . 1 . 1 102 102 THR CG2 C 13 18.704 0.00 . . . . . . . 191 THR CG2 . 50544 1 862 . 1 . 1 102 102 THR N N 15 114.159 0.01 . . . . . . . 191 THR N . 50544 1 863 . 1 . 1 103 103 THR H H 1 8.139 0.00 . . . . . . . 192 THR H . 50544 1 864 . 1 . 1 103 103 THR HA H 1 4.271 0.00 . . . . . . . 192 THR HA . 50544 1 865 . 1 . 1 103 103 THR HB H 1 4.271 0.01 . . . . . . . 192 THR HB . 50544 1 866 . 1 . 1 103 103 THR HG21 H 1 1.207 0.00 . . . . . . . 192 THR HG21 . 50544 1 867 . 1 . 1 103 103 THR HG22 H 1 1.207 0.00 . . . . . . . 192 THR HG21 . 50544 1 868 . 1 . 1 103 103 THR HG23 H 1 1.207 0.00 . . . . . . . 192 THR HG21 . 50544 1 869 . 1 . 1 103 103 THR C C 13 174.167 0.02 . . . . . . . 192 THR C . 50544 1 870 . 1 . 1 103 103 THR CA C 13 61.756 0.04 . . . . . . . 192 THR CA . 50544 1 871 . 1 . 1 103 103 THR CB C 13 66.470 0.01 . . . . . . . 192 THR CB . 50544 1 872 . 1 . 1 103 103 THR CG2 C 13 18.691 0.00 . . . . . . . 192 THR CG2 . 50544 1 873 . 1 . 1 103 103 THR N N 15 117.233 0.01 . . . . . . . 192 THR N . 50544 1 874 . 1 . 1 104 104 THR H H 1 7.732 0.00 . . . . . . . 193 THR H . 50544 1 875 . 1 . 1 104 104 THR HA H 1 4.171 0.02 . . . . . . . 193 THR HA . 50544 1 876 . 1 . 1 104 104 THR HG21 H 1 1.179 0.00 . . . . . . . 193 THR HG21 . 50544 1 877 . 1 . 1 104 104 THR HG22 H 1 1.179 0.00 . . . . . . . 193 THR HG21 . 50544 1 878 . 1 . 1 104 104 THR HG23 H 1 1.179 0.00 . . . . . . . 193 THR HG21 . 50544 1 879 . 1 . 1 104 104 THR C C 13 172.298 0.03 . . . . . . . 193 THR C . 50544 1 880 . 1 . 1 104 104 THR CA C 13 61.177 0.06 . . . . . . . 193 THR CA . 50544 1 881 . 1 . 1 104 104 THR CB C 13 66.419 0.08 . . . . . . . 193 THR CB . 50544 1 882 . 1 . 1 104 104 THR CG2 C 13 18.848 0.00 . . . . . . . 193 THR CG2 . 50544 1 883 . 1 . 1 104 104 THR N N 15 115.749 0.01 . . . . . . . 193 THR N . 50544 1 884 . 1 . 1 105 105 LYS H H 1 7.635 0.00 . . . . . . . 194 LYS H . 50544 1 885 . 1 . 1 105 105 LYS HA H 1 4.272 0.00 . . . . . . . 194 LYS HA . 50544 1 886 . 1 . 1 105 105 LYS HB2 H 1 1.881 0.00 . . . . . . . 194 LYS HB2 . 50544 1 887 . 1 . 1 105 105 LYS HB3 H 1 1.722 0.00 . . . . . . . 194 LYS HB3 . 50544 1 888 . 1 . 1 105 105 LYS HG3 H 1 1.378 0.00 . . . . . . . 194 LYS HG3 . 50544 1 889 . 1 . 1 105 105 LYS HD2 H 1 1.553 0.00 . . . . . . . 194 LYS HD2 . 50544 1 890 . 1 . 1 105 105 LYS HE2 H 1 2.894 0.00 . . . . . . . 194 LYS HE2 . 50544 1 891 . 1 . 1 105 105 LYS C C 13 174.193 0.00 . . . . . . . 194 LYS C . 50544 1 892 . 1 . 1 105 105 LYS CA C 13 53.643 0.04 . . . . . . . 194 LYS CA . 50544 1 893 . 1 . 1 105 105 LYS CB C 13 29.644 0.05 . . . . . . . 194 LYS CB . 50544 1 894 . 1 . 1 105 105 LYS CG C 13 21.868 0.00 . . . . . . . 194 LYS CG . 50544 1 895 . 1 . 1 105 105 LYS CD C 13 26.216 0.00 . . . . . . . 194 LYS CD . 50544 1 896 . 1 . 1 105 105 LYS CE C 13 39.284 0.00 . . . . . . . 194 LYS CE . 50544 1 897 . 1 . 1 105 105 LYS N N 15 120.748 0.02 . . . . . . . 194 LYS N . 50544 1 898 . 1 . 1 106 106 GLY H H 1 7.982 0.00 . . . . . . . 195 GLY H . 50544 1 899 . 1 . 1 106 106 GLY HA2 H 1 3.980 0.03 . . . . . . . 195 GLY HA2 . 50544 1 900 . 1 . 1 106 106 GLY HA3 H 1 3.720 0.00 . . . . . . . 195 GLY HA3 . 50544 1 901 . 1 . 1 106 106 GLY C C 13 171.484 0.00 . . . . . . . 195 GLY C . 50544 1 902 . 1 . 1 106 106 GLY CA C 13 42.731 0.02 . . . . . . . 195 GLY CA . 50544 1 903 . 1 . 1 106 106 GLY N N 15 108.598 0.02 . . . . . . . 195 GLY N . 50544 1 904 . 1 . 1 107 107 GLU H H 1 7.516 0.00 . . . . . . . 196 GLU H . 50544 1 905 . 1 . 1 107 107 GLU HA H 1 4.134 0.00 . . . . . . . 196 GLU HA . 50544 1 906 . 1 . 1 107 107 GLU HB2 H 1 1.528 0.00 . . . . . . . 196 GLU HB2 . 50544 1 907 . 1 . 1 107 107 GLU HB3 H 1 1.458 0.00 . . . . . . . 196 GLU HB3 . 50544 1 908 . 1 . 1 107 107 GLU HG2 H 1 1.978 0.00 . . . . . . . 196 GLU HG2 . 50544 1 909 . 1 . 1 107 107 GLU HG3 H 1 1.825 0.00 . . . . . . . 196 GLU HG3 . 50544 1 910 . 1 . 1 107 107 GLU C C 13 172.419 0.01 . . . . . . . 196 GLU C . 50544 1 911 . 1 . 1 107 107 GLU CA C 13 53.090 0.02 . . . . . . . 196 GLU CA . 50544 1 912 . 1 . 1 107 107 GLU CB C 13 27.945 0.06 . . . . . . . 196 GLU CB . 50544 1 913 . 1 . 1 107 107 GLU CG C 13 32.789 0.04 . . . . . . . 196 GLU CG . 50544 1 914 . 1 . 1 107 107 GLU N N 15 119.959 0.01 . . . . . . . 196 GLU N . 50544 1 915 . 1 . 1 108 108 ASN H H 1 8.404 0.00 . . . . . . . 197 ASN H . 50544 1 916 . 1 . 1 108 108 ASN HA H 1 4.561 0.00 . . . . . . . 197 ASN HA . 50544 1 917 . 1 . 1 108 108 ASN HB2 H 1 2.545 0.00 . . . . . . . 197 ASN HB2 . 50544 1 918 . 1 . 1 108 108 ASN HB3 H 1 2.540 0.00 . . . . . . . 197 ASN HB3 . 50544 1 919 . 1 . 1 108 108 ASN C C 13 171.150 0.01 . . . . . . . 197 ASN C . 50544 1 920 . 1 . 1 108 108 ASN CA C 13 50.032 0.03 . . . . . . . 197 ASN CA . 50544 1 921 . 1 . 1 108 108 ASN CB C 13 37.705 0.03 . . . . . . . 197 ASN CB . 50544 1 922 . 1 . 1 108 108 ASN N N 15 119.922 0.01 . . . . . . . 197 ASN N . 50544 1 923 . 1 . 1 109 109 PHE H H 1 8.601 0.00 . . . . . . . 198 PHE H . 50544 1 924 . 1 . 1 109 109 PHE HA H 1 5.167 0.00 . . . . . . . 198 PHE HA . 50544 1 925 . 1 . 1 109 109 PHE HB2 H 1 3.054 0.00 . . . . . . . 198 PHE HB2 . 50544 1 926 . 1 . 1 109 109 PHE HB3 H 1 2.858 0.00 . . . . . . . 198 PHE HB3 . 50544 1 927 . 1 . 1 109 109 PHE C C 13 173.907 0.02 . . . . . . . 198 PHE C . 50544 1 928 . 1 . 1 109 109 PHE CA C 13 54.039 0.03 . . . . . . . 198 PHE CA . 50544 1 929 . 1 . 1 109 109 PHE CB C 13 37.180 0.13 . . . . . . . 198 PHE CB . 50544 1 930 . 1 . 1 109 109 PHE N N 15 121.749 0.01 . . . . . . . 198 PHE N . 50544 1 931 . 1 . 1 110 110 THR H H 1 9.399 0.00 . . . . . . . 199 THR H . 50544 1 932 . 1 . 1 110 110 THR HA H 1 4.523 0.00 . . . . . . . 199 THR HA . 50544 1 933 . 1 . 1 110 110 THR HB H 1 4.744 0.00 . . . . . . . 199 THR HB . 50544 1 934 . 1 . 1 110 110 THR HG21 H 1 1.343 0.00 . . . . . . . 199 THR HG21 . 50544 1 935 . 1 . 1 110 110 THR HG22 H 1 1.343 0.00 . . . . . . . 199 THR HG21 . 50544 1 936 . 1 . 1 110 110 THR HG23 H 1 1.343 0.00 . . . . . . . 199 THR HG21 . 50544 1 937 . 1 . 1 110 110 THR C C 13 172.636 0.01 . . . . . . . 199 THR C . 50544 1 938 . 1 . 1 110 110 THR CA C 13 57.739 0.04 . . . . . . . 199 THR CA . 50544 1 939 . 1 . 1 110 110 THR CB C 13 69.279 0.03 . . . . . . . 199 THR CB . 50544 1 940 . 1 . 1 110 110 THR CG2 C 13 19.018 0.06 . . . . . . . 199 THR CG2 . 50544 1 941 . 1 . 1 110 110 THR N N 15 115.987 0.02 . . . . . . . 199 THR N . 50544 1 942 . 1 . 1 111 111 GLU H H 1 9.048 0.00 . . . . . . . 200 GLU H . 50544 1 943 . 1 . 1 111 111 GLU HA H 1 3.981 0.00 . . . . . . . 200 GLU HA . 50544 1 944 . 1 . 1 111 111 GLU HB2 H 1 2.026 0.02 . . . . . . . 200 GLU HB2 . 50544 1 945 . 1 . 1 111 111 GLU HB3 H 1 1.975 0.00 . . . . . . . 200 GLU HB3 . 50544 1 946 . 1 . 1 111 111 GLU HG2 H 1 2.333 0.00 . . . . . . . 200 GLU HG2 . 50544 1 947 . 1 . 1 111 111 GLU HG3 H 1 2.266 0.00 . . . . . . . 200 GLU HG3 . 50544 1 948 . 1 . 1 111 111 GLU C C 13 176.298 0.01 . . . . . . . 200 GLU C . 50544 1 949 . 1 . 1 111 111 GLU CA C 13 57.187 0.09 . . . . . . . 200 GLU CA . 50544 1 950 . 1 . 1 111 111 GLU CB C 13 26.076 0.06 . . . . . . . 200 GLU CB . 50544 1 951 . 1 . 1 111 111 GLU CG C 13 33.005 0.07 . . . . . . . 200 GLU CG . 50544 1 952 . 1 . 1 111 111 GLU N N 15 120.039 0.02 . . . . . . . 200 GLU N . 50544 1 953 . 1 . 1 112 112 THR H H 1 7.881 0.00 . . . . . . . 201 THR H . 50544 1 954 . 1 . 1 112 112 THR HA H 1 3.712 0.00 . . . . . . . 201 THR HA . 50544 1 955 . 1 . 1 112 112 THR HB H 1 3.675 0.00 . . . . . . . 201 THR HB . 50544 1 956 . 1 . 1 112 112 THR HG21 H 1 0.637 0.00 . . . . . . . 201 THR HG21 . 50544 1 957 . 1 . 1 112 112 THR HG22 H 1 0.637 0.00 . . . . . . . 201 THR HG21 . 50544 1 958 . 1 . 1 112 112 THR HG23 H 1 0.637 0.00 . . . . . . . 201 THR HG21 . 50544 1 959 . 1 . 1 112 112 THR C C 13 172.960 0.00 . . . . . . . 201 THR C . 50544 1 960 . 1 . 1 112 112 THR CA C 13 64.112 0.04 . . . . . . . 201 THR CA . 50544 1 961 . 1 . 1 112 112 THR CB C 13 65.927 0.04 . . . . . . . 201 THR CB . 50544 1 962 . 1 . 1 112 112 THR CG2 C 13 18.386 0.08 . . . . . . . 201 THR CG2 . 50544 1 963 . 1 . 1 112 112 THR N N 15 115.941 0.01 . . . . . . . 201 THR N . 50544 1 964 . 1 . 1 113 113 ASP H H 1 7.449 0.00 . . . . . . . 202 ASP H . 50544 1 965 . 1 . 1 113 113 ASP HA H 1 4.500 0.00 . . . . . . . 202 ASP HA . 50544 1 966 . 1 . 1 113 113 ASP HB2 H 1 3.312 0.00 . . . . . . . 202 ASP HB2 . 50544 1 967 . 1 . 1 113 113 ASP HB3 H 1 2.566 0.01 . . . . . . . 202 ASP HB3 . 50544 1 968 . 1 . 1 113 113 ASP C C 13 174.820 0.02 . . . . . . . 202 ASP C . 50544 1 969 . 1 . 1 113 113 ASP CA C 13 55.233 0.03 . . . . . . . 202 ASP CA . 50544 1 970 . 1 . 1 113 113 ASP CB C 13 38.955 0.08 . . . . . . . 202 ASP CB . 50544 1 971 . 1 . 1 113 113 ASP N N 15 120.248 0.02 . . . . . . . 202 ASP N . 50544 1 972 . 1 . 1 114 114 VAL H H 1 8.200 0.00 . . . . . . . 203 VAL H . 50544 1 973 . 1 . 1 114 114 VAL HA H 1 3.212 0.00 . . . . . . . 203 VAL HA . 50544 1 974 . 1 . 1 114 114 VAL HB H 1 2.012 0.00 . . . . . . . 203 VAL HB . 50544 1 975 . 1 . 1 114 114 VAL HG11 H 1 0.889 0.00 . . . . . . . 203 VAL HG11 . 50544 1 976 . 1 . 1 114 114 VAL HG12 H 1 0.889 0.00 . . . . . . . 203 VAL HG11 . 50544 1 977 . 1 . 1 114 114 VAL HG13 H 1 0.889 0.00 . . . . . . . 203 VAL HG11 . 50544 1 978 . 1 . 1 114 114 VAL HG21 H 1 0.796 0.00 . . . . . . . 203 VAL HG21 . 50544 1 979 . 1 . 1 114 114 VAL HG22 H 1 0.796 0.00 . . . . . . . 203 VAL HG21 . 50544 1 980 . 1 . 1 114 114 VAL HG23 H 1 0.796 0.00 . . . . . . . 203 VAL HG21 . 50544 1 981 . 1 . 1 114 114 VAL C C 13 175.011 0.02 . . . . . . . 203 VAL C . 50544 1 982 . 1 . 1 114 114 VAL CA C 13 65.049 0.05 . . . . . . . 203 VAL CA . 50544 1 983 . 1 . 1 114 114 VAL CB C 13 28.684 0.10 . . . . . . . 203 VAL CB . 50544 1 984 . 1 . 1 114 114 VAL CG1 C 13 19.856 0.06 . . . . . . . 203 VAL CG1 . 50544 1 985 . 1 . 1 114 114 VAL CG2 C 13 18.407 0.07 . . . . . . . 203 VAL CG2 . 50544 1 986 . 1 . 1 114 114 VAL N N 15 119.700 0.02 . . . . . . . 203 VAL N . 50544 1 987 . 1 . 1 115 115 LYS H H 1 7.698 0.00 . . . . . . . 204 LYS H . 50544 1 988 . 1 . 1 115 115 LYS HA H 1 3.976 0.00 . . . . . . . 204 LYS HA . 50544 1 989 . 1 . 1 115 115 LYS HB2 H 1 1.841 0.00 . . . . . . . 204 LYS HB2 . 50544 1 990 . 1 . 1 115 115 LYS HG3 H 1 1.383 0.00 . . . . . . . 204 LYS HG3 . 50544 1 991 . 1 . 1 115 115 LYS HD2 H 1 1.552 0.00 . . . . . . . 204 LYS HD2 . 50544 1 992 . 1 . 1 115 115 LYS C C 13 177.366 0.01 . . . . . . . 204 LYS C . 50544 1 993 . 1 . 1 115 115 LYS CA C 13 56.635 0.06 . . . . . . . 204 LYS CA . 50544 1 994 . 1 . 1 115 115 LYS CB C 13 29.229 0.05 . . . . . . . 204 LYS CB . 50544 1 995 . 1 . 1 115 115 LYS CG C 13 22.334 0.06 . . . . . . . 204 LYS CG . 50544 1 996 . 1 . 1 115 115 LYS CD C 13 26.399 0.00 . . . . . . . 204 LYS CD . 50544 1 997 . 1 . 1 115 115 LYS N N 15 118.976 0.01 . . . . . . . 204 LYS N . 50544 1 998 . 1 . 1 116 116 MET H H 1 8.153 0.00 . . . . . . . 205 MET H . 50544 1 999 . 1 . 1 116 116 MET HA H 1 4.067 0.00 . . . . . . . 205 MET HA . 50544 1 1000 . 1 . 1 116 116 MET HB2 H 1 2.199 0.01 . . . . . . . 205 MET HB2 . 50544 1 1001 . 1 . 1 116 116 MET HB3 H 1 1.862 0.00 . . . . . . . 205 MET HB3 . 50544 1 1002 . 1 . 1 116 116 MET HG2 H 1 2.819 0.00 . . . . . . . 205 MET HG2 . 50544 1 1003 . 1 . 1 116 116 MET C C 13 175.359 0.01 . . . . . . . 205 MET C . 50544 1 1004 . 1 . 1 116 116 MET CA C 13 57.264 0.04 . . . . . . . 205 MET CA . 50544 1 1005 . 1 . 1 116 116 MET CB C 13 29.860 0.05 . . . . . . . 205 MET CB . 50544 1 1006 . 1 . 1 116 116 MET CG C 13 31.306 0.06 . . . . . . . 205 MET CG . 50544 1 1007 . 1 . 1 116 116 MET N N 15 118.851 0.03 . . . . . . . 205 MET N . 50544 1 1008 . 1 . 1 117 117 MET H H 1 8.606 0.00 . . . . . . . 206 MET H . 50544 1 1009 . 1 . 1 117 117 MET HA H 1 3.487 0.00 . . . . . . . 206 MET HA . 50544 1 1010 . 1 . 1 117 117 MET HB2 H 1 1.899 0.02 . . . . . . . 206 MET HB2 . 50544 1 1011 . 1 . 1 117 117 MET HB3 H 1 1.533 0.01 . . . . . . . 206 MET HB3 . 50544 1 1012 . 1 . 1 117 117 MET HG2 H 1 1.890 0.00 . . . . . . . 206 MET HG2 . 50544 1 1013 . 1 . 1 117 117 MET HG3 H 1 1.516 0.00 . . . . . . . 206 MET HG3 . 50544 1 1014 . 1 . 1 117 117 MET C C 13 174.998 0.01 . . . . . . . 206 MET C . 50544 1 1015 . 1 . 1 117 117 MET CA C 13 57.339 0.03 . . . . . . . 206 MET CA . 50544 1 1016 . 1 . 1 117 117 MET CB C 13 30.785 0.05 . . . . . . . 206 MET CB . 50544 1 1017 . 1 . 1 117 117 MET CG C 13 29.741 0.04 . . . . . . . 206 MET CG . 50544 1 1018 . 1 . 1 117 117 MET N N 15 118.064 0.02 . . . . . . . 206 MET N . 50544 1 1019 . 1 . 1 118 118 GLU H H 1 8.358 0.00 . . . . . . . 207 GLU H . 50544 1 1020 . 1 . 1 118 118 GLU HA H 1 3.572 0.00 . . . . . . . 207 GLU HA . 50544 1 1021 . 1 . 1 118 118 GLU HB2 H 1 2.102 0.01 . . . . . . . 207 GLU HB2 . 50544 1 1022 . 1 . 1 118 118 GLU HB3 H 1 1.946 0.00 . . . . . . . 207 GLU HB3 . 50544 1 1023 . 1 . 1 118 118 GLU HG2 H 1 2.468 0.00 . . . . . . . 207 GLU HG2 . 50544 1 1024 . 1 . 1 118 118 GLU HG3 H 1 2.075 0.00 . . . . . . . 207 GLU HG3 . 50544 1 1025 . 1 . 1 118 118 GLU C C 13 175.580 0.01 . . . . . . . 207 GLU C . 50544 1 1026 . 1 . 1 118 118 GLU CA C 13 57.747 0.05 . . . . . . . 207 GLU CA . 50544 1 1027 . 1 . 1 118 118 GLU CB C 13 25.366 0.01 . . . . . . . 207 GLU CB . 50544 1 1028 . 1 . 1 118 118 GLU CG C 13 32.654 0.09 . . . . . . . 207 GLU CG . 50544 1 1029 . 1 . 1 118 118 GLU N N 15 118.101 0.02 . . . . . . . 207 GLU N . 50544 1 1030 . 1 . 1 119 119 ARG H H 1 7.339 0.00 . . . . . . . 208 ARG H . 50544 1 1031 . 1 . 1 119 119 ARG HA H 1 4.081 0.00 . . . . . . . 208 ARG HA . 50544 1 1032 . 1 . 1 119 119 ARG HB2 H 1 1.994 0.00 . . . . . . . 208 ARG HB2 . 50544 1 1033 . 1 . 1 119 119 ARG HB3 H 1 1.880 0.02 . . . . . . . 208 ARG HB3 . 50544 1 1034 . 1 . 1 119 119 ARG HG2 H 1 1.645 0.00 . . . . . . . 208 ARG HG2 . 50544 1 1035 . 1 . 1 119 119 ARG C C 13 176.502 0.01 . . . . . . . 208 ARG C . 50544 1 1036 . 1 . 1 119 119 ARG CA C 13 55.986 0.04 . . . . . . . 208 ARG CA . 50544 1 1037 . 1 . 1 119 119 ARG CB C 13 27.127 0.01 . . . . . . . 208 ARG CB . 50544 1 1038 . 1 . 1 119 119 ARG CG C 13 24.089 0.00 . . . . . . . 208 ARG CG . 50544 1 1039 . 1 . 1 119 119 ARG CD C 13 39.963 0.00 . . . . . . . 208 ARG CD . 50544 1 1040 . 1 . 1 119 119 ARG N N 15 117.488 0.01 . . . . . . . 208 ARG N . 50544 1 1041 . 1 . 1 120 120 VAL H H 1 8.210 0.00 . . . . . . . 209 VAL H . 50544 1 1042 . 1 . 1 120 120 VAL HA H 1 3.686 0.00 . . . . . . . 209 VAL HA . 50544 1 1043 . 1 . 1 120 120 VAL HB H 1 2.180 0.00 . . . . . . . 209 VAL HB . 50544 1 1044 . 1 . 1 120 120 VAL HG11 H 1 1.179 0.00 . . . . . . . 209 VAL HG11 . 50544 1 1045 . 1 . 1 120 120 VAL HG12 H 1 1.179 0.00 . . . . . . . 209 VAL HG11 . 50544 1 1046 . 1 . 1 120 120 VAL HG13 H 1 1.179 0.00 . . . . . . . 209 VAL HG11 . 50544 1 1047 . 1 . 1 120 120 VAL HG21 H 1 1.169 0.00 . . . . . . . 209 VAL HG21 . 50544 1 1048 . 1 . 1 120 120 VAL HG22 H 1 1.169 0.00 . . . . . . . 209 VAL HG21 . 50544 1 1049 . 1 . 1 120 120 VAL HG23 H 1 1.169 0.00 . . . . . . . 209 VAL HG21 . 50544 1 1050 . 1 . 1 120 120 VAL C C 13 174.451 0.02 . . . . . . . 209 VAL C . 50544 1 1051 . 1 . 1 120 120 VAL CA C 13 63.160 0.03 . . . . . . . 209 VAL CA . 50544 1 1052 . 1 . 1 120 120 VAL CB C 13 29.324 0.06 . . . . . . . 209 VAL CB . 50544 1 1053 . 1 . 1 120 120 VAL CG1 C 13 21.111 0.07 . . . . . . . 209 VAL CG1 . 50544 1 1054 . 1 . 1 120 120 VAL CG2 C 13 18.151 0.14 . . . . . . . 209 VAL CG2 . 50544 1 1055 . 1 . 1 120 120 VAL N N 15 119.027 0.01 . . . . . . . 209 VAL N . 50544 1 1056 . 1 . 1 121 121 VAL H H 1 8.830 0.00 . . . . . . . 210 VAL H . 50544 1 1057 . 1 . 1 121 121 VAL HA H 1 3.633 0.00 . . . . . . . 210 VAL HA . 50544 1 1058 . 1 . 1 121 121 VAL HB H 1 2.161 0.00 . . . . . . . 210 VAL HB . 50544 1 1059 . 1 . 1 121 121 VAL HG11 H 1 0.936 0.00 . . . . . . . 210 VAL HG11 . 50544 1 1060 . 1 . 1 121 121 VAL HG12 H 1 0.936 0.00 . . . . . . . 210 VAL HG11 . 50544 1 1061 . 1 . 1 121 121 VAL HG13 H 1 0.936 0.00 . . . . . . . 210 VAL HG11 . 50544 1 1062 . 1 . 1 121 121 VAL HG21 H 1 1.164 0.00 . . . . . . . 210 VAL HG21 . 50544 1 1063 . 1 . 1 121 121 VAL HG22 H 1 1.164 0.00 . . . . . . . 210 VAL HG21 . 50544 1 1064 . 1 . 1 121 121 VAL HG23 H 1 1.164 0.00 . . . . . . . 210 VAL HG21 . 50544 1 1065 . 1 . 1 121 121 VAL C C 13 174.957 0.02 . . . . . . . 210 VAL C . 50544 1 1066 . 1 . 1 121 121 VAL CA C 13 63.704 0.05 . . . . . . . 210 VAL CA . 50544 1 1067 . 1 . 1 121 121 VAL CB C 13 28.386 0.10 . . . . . . . 210 VAL CB . 50544 1 1068 . 1 . 1 121 121 VAL CG1 C 13 21.497 0.10 . . . . . . . 210 VAL CG1 . 50544 1 1069 . 1 . 1 121 121 VAL CG2 C 13 22.070 0.04 . . . . . . . 210 VAL CG2 . 50544 1 1070 . 1 . 1 121 121 VAL N N 15 121.345 0.01 . . . . . . . 210 VAL N . 50544 1 1071 . 1 . 1 122 122 GLU H H 1 8.099 0.01 . . . . . . . 211 GLU H . 50544 1 1072 . 1 . 1 122 122 GLU HA H 1 3.475 0.00 . . . . . . . 211 GLU HA . 50544 1 1073 . 1 . 1 122 122 GLU HB2 H 1 2.130 0.00 . . . . . . . 211 GLU HB2 . 50544 1 1074 . 1 . 1 122 122 GLU HG2 H 1 2.043 0.00 . . . . . . . 211 GLU HG2 . 50544 1 1075 . 1 . 1 122 122 GLU C C 13 174.882 0.02 . . . . . . . 211 GLU C . 50544 1 1076 . 1 . 1 122 122 GLU CA C 13 58.246 0.04 . . . . . . . 211 GLU CA . 50544 1 1077 . 1 . 1 122 122 GLU CB C 13 26.075 0.05 . . . . . . . 211 GLU CB . 50544 1 1078 . 1 . 1 122 122 GLU CG C 13 33.062 0.05 . . . . . . . 211 GLU CG . 50544 1 1079 . 1 . 1 122 122 GLU N N 15 120.507 0.02 . . . . . . . 211 GLU N . 50544 1 1080 . 1 . 1 123 123 GLN H H 1 7.209 0.00 . . . . . . . 212 GLN H . 50544 1 1081 . 1 . 1 123 123 GLN HA H 1 3.877 0.00 . . . . . . . 212 GLN HA . 50544 1 1082 . 1 . 1 123 123 GLN HB2 H 1 2.053 0.00 . . . . . . . 212 GLN HB2 . 50544 1 1083 . 1 . 1 123 123 GLN HG2 H 1 2.306 0.00 . . . . . . . 212 GLN HG2 . 50544 1 1084 . 1 . 1 123 123 GLN C C 13 176.205 0.00 . . . . . . . 212 GLN C . 50544 1 1085 . 1 . 1 123 123 GLN CA C 13 56.213 0.02 . . . . . . . 212 GLN CA . 50544 1 1086 . 1 . 1 123 123 GLN CB C 13 25.086 0.01 . . . . . . . 212 GLN CB . 50544 1 1087 . 1 . 1 123 123 GLN CG C 13 30.934 0.09 . . . . . . . 212 GLN CG . 50544 1 1088 . 1 . 1 123 123 GLN N N 15 115.382 0.01 . . . . . . . 212 GLN N . 50544 1 1089 . 1 . 1 124 124 MET H H 1 8.145 0.00 . . . . . . . 213 MET H . 50544 1 1090 . 1 . 1 124 124 MET HA H 1 3.963 0.00 . . . . . . . 213 MET HA . 50544 1 1091 . 1 . 1 124 124 MET HB2 H 1 2.141 0.00 . . . . . . . 213 MET HB2 . 50544 1 1092 . 1 . 1 124 124 MET HG2 H 1 2.720 0.00 . . . . . . . 213 MET HG2 . 50544 1 1093 . 1 . 1 124 124 MET HG3 H 1 2.264 0.00 . . . . . . . 213 MET HG3 . 50544 1 1094 . 1 . 1 124 124 MET C C 13 175.558 0.01 . . . . . . . 213 MET C . 50544 1 1095 . 1 . 1 124 124 MET CA C 13 57.315 0.04 . . . . . . . 213 MET CA . 50544 1 1096 . 1 . 1 124 124 MET CB C 13 32.128 0.06 . . . . . . . 213 MET CB . 50544 1 1097 . 1 . 1 124 124 MET CG C 13 29.626 0.04 . . . . . . . 213 MET CG . 50544 1 1098 . 1 . 1 124 124 MET N N 15 119.794 0.02 . . . . . . . 213 MET N . 50544 1 1099 . 1 . 1 125 125 CYS H H 1 8.996 0.00 . . . . . . . 214 CYS H . 50544 1 1100 . 1 . 1 125 125 CYS HA H 1 4.202 0.01 . . . . . . . 214 CYS HA . 50544 1 1101 . 1 . 1 125 125 CYS HB2 H 1 2.699 0.01 . . . . . . . 214 CYS HB2 . 50544 1 1102 . 1 . 1 125 125 CYS HB3 H 1 3.371 0.00 . . . . . . . 214 CYS HB3 . 50544 1 1103 . 1 . 1 125 125 CYS C C 13 174.111 0.01 . . . . . . . 214 CYS C . 50544 1 1104 . 1 . 1 125 125 CYS CA C 13 57.313 0.04 . . . . . . . 214 CYS CA . 50544 1 1105 . 1 . 1 125 125 CYS CB C 13 39.049 0.04 . . . . . . . 214 CYS CB . 50544 1 1106 . 1 . 1 125 125 CYS N N 15 118.876 0.03 . . . . . . . 214 CYS N . 50544 1 1107 . 1 . 1 126 126 ILE H H 1 8.476 0.00 . . . . . . . 215 ILE H . 50544 1 1108 . 1 . 1 126 126 ILE HA H 1 3.433 0.00 . . . . . . . 215 ILE HA . 50544 1 1109 . 1 . 1 126 126 ILE HB H 1 1.835 0.00 . . . . . . . 215 ILE HB . 50544 1 1110 . 1 . 1 126 126 ILE HG12 H 1 1.856 0.00 . . . . . . . 215 ILE HG12 . 50544 1 1111 . 1 . 1 126 126 ILE HG13 H 1 0.771 0.00 . . . . . . . 215 ILE HG13 . 50544 1 1112 . 1 . 1 126 126 ILE HG21 H 1 0.779 0.00 . . . . . . . 215 ILE HG21 . 50544 1 1113 . 1 . 1 126 126 ILE HG22 H 1 0.779 0.00 . . . . . . . 215 ILE HG21 . 50544 1 1114 . 1 . 1 126 126 ILE HG23 H 1 0.779 0.00 . . . . . . . 215 ILE HG21 . 50544 1 1115 . 1 . 1 126 126 ILE HD11 H 1 0.732 0.00 . . . . . . . 215 ILE HD11 . 50544 1 1116 . 1 . 1 126 126 ILE HD12 H 1 0.732 0.00 . . . . . . . 215 ILE HD11 . 50544 1 1117 . 1 . 1 126 126 ILE HD13 H 1 0.732 0.00 . . . . . . . 215 ILE HD11 . 50544 1 1118 . 1 . 1 126 126 ILE C C 13 175.189 0.01 . . . . . . . 215 ILE C . 50544 1 1119 . 1 . 1 126 126 ILE CA C 13 63.935 0.05 . . . . . . . 215 ILE CA . 50544 1 1120 . 1 . 1 126 126 ILE CB C 13 35.529 0.07 . . . . . . . 215 ILE CB . 50544 1 1121 . 1 . 1 126 126 ILE CG1 C 13 28.332 0.05 . . . . . . . 215 ILE CG1 . 50544 1 1122 . 1 . 1 126 126 ILE CG2 C 13 14.318 0.04 . . . . . . . 215 ILE CG2 . 50544 1 1123 . 1 . 1 126 126 ILE CD1 C 13 11.387 0.02 . . . . . . . 215 ILE CD1 . 50544 1 1124 . 1 . 1 126 126 ILE N N 15 123.417 0.04 . . . . . . . 215 ILE N . 50544 1 1125 . 1 . 1 127 127 THR H H 1 8.107 0.00 . . . . . . . 216 THR H . 50544 1 1126 . 1 . 1 127 127 THR HA H 1 3.818 0.00 . . . . . . . 216 THR HA . 50544 1 1127 . 1 . 1 127 127 THR HB H 1 4.244 0.00 . . . . . . . 216 THR HB . 50544 1 1128 . 1 . 1 127 127 THR HG21 H 1 1.120 0.00 . . . . . . . 216 THR HG21 . 50544 1 1129 . 1 . 1 127 127 THR HG22 H 1 1.120 0.00 . . . . . . . 216 THR HG21 . 50544 1 1130 . 1 . 1 127 127 THR HG23 H 1 1.120 0.00 . . . . . . . 216 THR HG21 . 50544 1 1131 . 1 . 1 127 127 THR C C 13 173.878 0.00 . . . . . . . 216 THR C . 50544 1 1132 . 1 . 1 127 127 THR CA C 13 64.284 0.04 . . . . . . . 216 THR CA . 50544 1 1133 . 1 . 1 127 127 THR CB C 13 65.627 0.03 . . . . . . . 216 THR CB . 50544 1 1134 . 1 . 1 127 127 THR CG2 C 13 19.029 0.06 . . . . . . . 216 THR CG2 . 50544 1 1135 . 1 . 1 127 127 THR N N 15 117.665 0.03 . . . . . . . 216 THR N . 50544 1 1136 . 1 . 1 128 128 GLN HA H 1 3.742 0.00 . . . . . . . 217 GLN HA . 50544 1 1137 . 1 . 1 128 128 GLN HB2 H 1 2.032 0.01 . . . . . . . 217 GLN HB2 . 50544 1 1138 . 1 . 1 128 128 GLN C C 13 174.601 0.00 . . . . . . . 217 GLN C . 50544 1 1139 . 1 . 1 128 128 GLN CA C 13 55.422 0.06 . . . . . . . 217 GLN CA . 50544 1 1140 . 1 . 1 128 128 GLN CB C 13 24.373 0.10 . . . . . . . 217 GLN CB . 50544 1 1141 . 1 . 1 128 128 GLN CG C 13 29.239 0.00 . . . . . . . 217 GLN CG . 50544 1 1142 . 1 . 1 129 129 TYR H H 1 8.360 0.00 . . . . . . . 218 TYR H . 50544 1 1143 . 1 . 1 129 129 TYR HA H 1 4.332 0.00 . . . . . . . 218 TYR HA . 50544 1 1144 . 1 . 1 129 129 TYR HB2 H 1 2.953 0.01 . . . . . . . 218 TYR HB2 . 50544 1 1145 . 1 . 1 129 129 TYR HB3 H 1 2.688 0.01 . . . . . . . 218 TYR HB3 . 50544 1 1146 . 1 . 1 129 129 TYR C C 13 175.389 0.01 . . . . . . . 218 TYR C . 50544 1 1147 . 1 . 1 129 129 TYR CA C 13 59.369 0.04 . . . . . . . 218 TYR CA . 50544 1 1148 . 1 . 1 129 129 TYR CB C 13 34.336 0.07 . . . . . . . 218 TYR CB . 50544 1 1149 . 1 . 1 129 129 TYR N N 15 121.040 0.04 . . . . . . . 218 TYR N . 50544 1 1150 . 1 . 1 130 130 GLU H H 1 8.212 0.01 . . . . . . . 219 GLU H . 50544 1 1151 . 1 . 1 130 130 GLU HA H 1 3.655 0.00 . . . . . . . 219 GLU HA . 50544 1 1152 . 1 . 1 130 130 GLU HB2 H 1 2.208 0.00 . . . . . . . 219 GLU HB2 . 50544 1 1153 . 1 . 1 130 130 GLU HB3 H 1 1.952 0.00 . . . . . . . 219 GLU HB3 . 50544 1 1154 . 1 . 1 130 130 GLU HG2 H 1 2.544 0.00 . . . . . . . 219 GLU HG2 . 50544 1 1155 . 1 . 1 130 130 GLU HG3 H 1 2.290 0.00 . . . . . . . 219 GLU HG3 . 50544 1 1156 . 1 . 1 130 130 GLU C C 13 176.141 0.01 . . . . . . . 219 GLU C . 50544 1 1157 . 1 . 1 130 130 GLU CA C 13 56.516 0.03 . . . . . . . 219 GLU CA . 50544 1 1158 . 1 . 1 130 130 GLU CB C 13 25.616 0.07 . . . . . . . 219 GLU CB . 50544 1 1159 . 1 . 1 130 130 GLU CG C 13 32.353 0.05 . . . . . . . 219 GLU CG . 50544 1 1160 . 1 . 1 130 130 GLU N N 15 119.517 0.03 . . . . . . . 219 GLU N . 50544 1 1161 . 1 . 1 131 131 ARG H H 1 7.786 0.00 . . . . . . . 220 ARG H . 50544 1 1162 . 1 . 1 131 131 ARG HA H 1 3.883 0.00 . . . . . . . 220 ARG HA . 50544 1 1163 . 1 . 1 131 131 ARG HB2 H 1 1.732 0.01 . . . . . . . 220 ARG HB2 . 50544 1 1164 . 1 . 1 131 131 ARG HG2 H 1 1.703 0.00 . . . . . . . 220 ARG HG2 . 50544 1 1165 . 1 . 1 131 131 ARG HG3 H 1 1.527 0.01 . . . . . . . 220 ARG HG3 . 50544 1 1166 . 1 . 1 131 131 ARG HD2 H 1 2.943 0.00 . . . . . . . 220 ARG HD2 . 50544 1 1167 . 1 . 1 131 131 ARG C C 13 176.733 0.01 . . . . . . . 220 ARG C . 50544 1 1168 . 1 . 1 131 131 ARG CA C 13 56.430 0.06 . . . . . . . 220 ARG CA . 50544 1 1169 . 1 . 1 131 131 ARG CB C 13 27.473 0.24 . . . . . . . 220 ARG CB . 50544 1 1170 . 1 . 1 131 131 ARG CG C 13 24.821 0.00 . . . . . . . 220 ARG CG . 50544 1 1171 . 1 . 1 131 131 ARG CD C 13 41.651 0.00 . . . . . . . 220 ARG CD . 50544 1 1172 . 1 . 1 131 131 ARG N N 15 118.864 0.02 . . . . . . . 220 ARG N . 50544 1 1173 . 1 . 1 132 132 GLU H H 1 8.282 0.01 . . . . . . . 221 GLU H . 50544 1 1174 . 1 . 1 132 132 GLU HA H 1 3.966 0.00 . . . . . . . 221 GLU HA . 50544 1 1175 . 1 . 1 132 132 GLU HB2 H 1 1.611 0.00 . . . . . . . 221 GLU HB2 . 50544 1 1176 . 1 . 1 132 132 GLU HG2 H 1 2.273 0.00 . . . . . . . 221 GLU HG2 . 50544 1 1177 . 1 . 1 132 132 GLU HG3 H 1 2.154 0.00 . . . . . . . 221 GLU HG3 . 50544 1 1178 . 1 . 1 132 132 GLU C C 13 175.928 0.03 . . . . . . . 221 GLU C . 50544 1 1179 . 1 . 1 132 132 GLU CA C 13 55.264 0.03 . . . . . . . 221 GLU CA . 50544 1 1180 . 1 . 1 132 132 GLU CB C 13 26.633 0.03 . . . . . . . 221 GLU CB . 50544 1 1181 . 1 . 1 132 132 GLU CG C 13 33.224 0.08 . . . . . . . 221 GLU CG . 50544 1 1182 . 1 . 1 132 132 GLU N N 15 118.765 0.05 . . . . . . . 221 GLU N . 50544 1 1183 . 1 . 1 133 133 SER H H 1 8.159 0.00 . . . . . . . 222 SER H . 50544 1 1184 . 1 . 1 133 133 SER HA H 1 3.827 0.00 . . . . . . . 222 SER HA . 50544 1 1185 . 1 . 1 133 133 SER HB2 H 1 3.515 0.01 . . . . . . . 222 SER HB2 . 50544 1 1186 . 1 . 1 133 133 SER HB3 H 1 3.301 0.00 . . . . . . . 222 SER HB3 . 50544 1 1187 . 1 . 1 133 133 SER C C 13 173.019 0.00 . . . . . . . 222 SER C . 50544 1 1188 . 1 . 1 133 133 SER CA C 13 58.342 0.04 . . . . . . . 222 SER CA . 50544 1 1189 . 1 . 1 133 133 SER CB C 13 59.929 0.06 . . . . . . . 222 SER CB . 50544 1 1190 . 1 . 1 133 133 SER N N 15 115.125 0.02 . . . . . . . 222 SER N . 50544 1 1191 . 1 . 1 134 134 GLN H H 1 7.537 0.00 . . . . . . . 223 GLN H . 50544 1 1192 . 1 . 1 134 134 GLN HA H 1 4.034 0.00 . . . . . . . 223 GLN HA . 50544 1 1193 . 1 . 1 134 134 GLN HB2 H 1 1.997 0.00 . . . . . . . 223 GLN HB2 . 50544 1 1194 . 1 . 1 134 134 GLN HG2 H 1 2.385 0.00 . . . . . . . 223 GLN HG2 . 50544 1 1195 . 1 . 1 134 134 GLN HG3 H 1 2.292 0.00 . . . . . . . 223 GLN HG3 . 50544 1 1196 . 1 . 1 134 134 GLN C C 13 174.556 0.01 . . . . . . . 223 GLN C . 50544 1 1197 . 1 . 1 134 134 GLN CA C 13 55.118 0.05 . . . . . . . 223 GLN CA . 50544 1 1198 . 1 . 1 134 134 GLN CB C 13 25.540 0.03 . . . . . . . 223 GLN CB . 50544 1 1199 . 1 . 1 134 134 GLN CG C 13 31.152 0.07 . . . . . . . 223 GLN CG . 50544 1 1200 . 1 . 1 134 134 GLN N N 15 120.168 0.01 . . . . . . . 223 GLN N . 50544 1 1201 . 1 . 1 135 135 ALA H H 1 7.543 0.00 . . . . . . . 224 ALA H . 50544 1 1202 . 1 . 1 135 135 ALA HA H 1 4.079 0.01 . . . . . . . 224 ALA HA . 50544 1 1203 . 1 . 1 135 135 ALA HB1 H 1 1.274 0.00 . . . . . . . 224 ALA HB1 . 50544 1 1204 . 1 . 1 135 135 ALA HB2 H 1 1.274 0.00 . . . . . . . 224 ALA HB1 . 50544 1 1205 . 1 . 1 135 135 ALA HB3 H 1 1.274 0.00 . . . . . . . 224 ALA HB1 . 50544 1 1206 . 1 . 1 135 135 ALA C C 13 175.975 0.01 . . . . . . . 224 ALA C . 50544 1 1207 . 1 . 1 135 135 ALA CA C 13 51.094 0.04 . . . . . . . 224 ALA CA . 50544 1 1208 . 1 . 1 135 135 ALA CB C 13 15.686 0.02 . . . . . . . 224 ALA CB . 50544 1 1209 . 1 . 1 135 135 ALA N N 15 121.080 0.01 . . . . . . . 224 ALA N . 50544 1 1210 . 1 . 1 136 136 TYR H H 1 7.874 0.00 . . . . . . . 225 TYR H . 50544 1 1211 . 1 . 1 136 136 TYR HA H 1 4.127 0.00 . . . . . . . 225 TYR HA . 50544 1 1212 . 1 . 1 136 136 TYR HB2 H 1 2.865 0.00 . . . . . . . 225 TYR HB2 . 50544 1 1213 . 1 . 1 136 136 TYR HB3 H 1 2.736 0.01 . . . . . . . 225 TYR HB3 . 50544 1 1214 . 1 . 1 136 136 TYR C C 13 174.114 0.00 . . . . . . . 225 TYR C . 50544 1 1215 . 1 . 1 136 136 TYR CA C 13 57.178 0.06 . . . . . . . 225 TYR CA . 50544 1 1216 . 1 . 1 136 136 TYR CB C 13 36.040 0.03 . . . . . . . 225 TYR CB . 50544 1 1217 . 1 . 1 136 136 TYR N N 15 118.539 0.01 . . . . . . . 225 TYR N . 50544 1 1218 . 1 . 1 137 137 TYR H H 1 7.810 0.00 . . . . . . . 226 TYR H . 50544 1 1219 . 1 . 1 137 137 TYR HA H 1 4.301 0.00 . . . . . . . 226 TYR HA . 50544 1 1220 . 1 . 1 137 137 TYR HB2 H 1 3.025 0.00 . . . . . . . 226 TYR HB2 . 50544 1 1221 . 1 . 1 137 137 TYR HB3 H 1 2.840 0.00 . . . . . . . 226 TYR HB3 . 50544 1 1222 . 1 . 1 137 137 TYR C C 13 173.578 0.01 . . . . . . . 226 TYR C . 50544 1 1223 . 1 . 1 137 137 TYR CA C 13 56.208 0.05 . . . . . . . 226 TYR CA . 50544 1 1224 . 1 . 1 137 137 TYR CB C 13 35.475 0.06 . . . . . . . 226 TYR CB . 50544 1 1225 . 1 . 1 137 137 TYR N N 15 118.517 0.01 . . . . . . . 226 TYR N . 50544 1 1226 . 1 . 1 138 138 GLN H H 1 7.843 0.00 . . . . . . . 227 GLN H . 50544 1 1227 . 1 . 1 138 138 GLN HA H 1 4.139 0.00 . . . . . . . 227 GLN HA . 50544 1 1228 . 1 . 1 138 138 GLN HB3 H 1 1.965 0.00 . . . . . . . 227 GLN HB3 . 50544 1 1229 . 1 . 1 138 138 GLN HG2 H 1 2.256 0.00 . . . . . . . 227 GLN HG2 . 50544 1 1230 . 1 . 1 138 138 GLN C C 13 173.346 0.01 . . . . . . . 227 GLN C . 50544 1 1231 . 1 . 1 138 138 GLN CA C 13 53.457 0.05 . . . . . . . 227 GLN CA . 50544 1 1232 . 1 . 1 138 138 GLN CB C 13 26.038 0.01 . . . . . . . 227 GLN CB . 50544 1 1233 . 1 . 1 138 138 GLN CG C 13 31.021 0.00 . . . . . . . 227 GLN CG . 50544 1 1234 . 1 . 1 138 138 GLN N N 15 119.998 0.01 . . . . . . . 227 GLN N . 50544 1 1235 . 1 . 1 139 139 ARG H H 1 7.948 0.00 . . . . . . . 228 ARG H . 50544 1 1236 . 1 . 1 139 139 ARG HA H 1 4.173 0.00 . . . . . . . 228 ARG HA . 50544 1 1237 . 1 . 1 139 139 ARG HB2 H 1 1.759 0.00 . . . . . . . 228 ARG HB2 . 50544 1 1238 . 1 . 1 139 139 ARG HB3 H 1 1.701 0.00 . . . . . . . 228 ARG HB3 . 50544 1 1239 . 1 . 1 139 139 ARG HG2 H 1 1.580 0.00 . . . . . . . 228 ARG HG2 . 50544 1 1240 . 1 . 1 139 139 ARG HG3 H 1 1.530 0.00 . . . . . . . 228 ARG HG3 . 50544 1 1241 . 1 . 1 139 139 ARG HD2 H 1 3.058 0.00 . . . . . . . 228 ARG HD2 . 50544 1 1242 . 1 . 1 139 139 ARG C C 13 174.238 0.00 . . . . . . . 228 ARG C . 50544 1 1243 . 1 . 1 139 139 ARG CA C 13 53.996 0.03 . . . . . . . 228 ARG CA . 50544 1 1244 . 1 . 1 139 139 ARG CB C 13 27.904 0.07 . . . . . . . 228 ARG CB . 50544 1 1245 . 1 . 1 139 139 ARG CG C 13 24.371 0.06 . . . . . . . 228 ARG CG . 50544 1 1246 . 1 . 1 139 139 ARG CD C 13 40.711 0.05 . . . . . . . 228 ARG CD . 50544 1 1247 . 1 . 1 139 139 ARG N N 15 121.088 0.01 . . . . . . . 228 ARG N . 50544 1 1248 . 1 . 1 140 140 GLY H H 1 8.217 0.00 . . . . . . . 229 GLY H . 50544 1 1249 . 1 . 1 140 140 GLY HA2 H 1 3.890 0.00 . . . . . . . 229 GLY HA2 . 50544 1 1250 . 1 . 1 140 140 GLY C C 13 171.289 0.00 . . . . . . . 229 GLY C . 50544 1 1251 . 1 . 1 140 140 GLY CA C 13 42.525 0.02 . . . . . . . 229 GLY CA . 50544 1 1252 . 1 . 1 140 140 GLY N N 15 109.429 0.01 . . . . . . . 229 GLY N . 50544 1 1253 . 1 . 1 141 141 SER H H 1 8.081 0.00 . . . . . . . 230 SER H . 50544 1 1254 . 1 . 1 141 141 SER HA H 1 4.411 0.00 . . . . . . . 230 SER HA . 50544 1 1255 . 1 . 1 141 141 SER HB2 H 1 3.780 0.00 . . . . . . . 230 SER HB2 . 50544 1 1256 . 1 . 1 141 141 SER C C 13 171.053 0.02 . . . . . . . 230 SER C . 50544 1 1257 . 1 . 1 141 141 SER CA C 13 55.550 0.02 . . . . . . . 230 SER CA . 50544 1 1258 . 1 . 1 141 141 SER CB C 13 61.321 0.07 . . . . . . . 230 SER CB . 50544 1 1259 . 1 . 1 141 141 SER N N 15 115.648 0.01 . . . . . . . 230 SER N . 50544 1 1260 . 1 . 1 142 142 SER H H 1 7.930 0.00 . . . . . . . 231 SER H . 50544 1 1261 . 1 . 1 142 142 SER HA H 1 4.214 0.00 . . . . . . . 231 SER HA . 50544 1 1262 . 1 . 1 142 142 SER HB2 H 1 3.772 0.00 . . . . . . . 231 SER HB2 . 50544 1 1263 . 1 . 1 142 142 SER C C 13 175.773 0.00 . . . . . . . 231 SER C . 50544 1 1264 . 1 . 1 142 142 SER CA C 13 57.369 0.03 . . . . . . . 231 SER CA . 50544 1 1265 . 1 . 1 142 142 SER CB C 13 62.040 0.00 . . . . . . . 231 SER CB . 50544 1 1266 . 1 . 1 142 142 SER N N 15 122.645 0.01 . . . . . . . 231 SER N . 50544 1 stop_ save_