data_34003 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34003 _Entry.Title ; PrP226* - Solution-state NMR structure of truncated human prion protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-05-31 _Entry.Accession_date 2016-05-31 _Entry.Last_release_date 2016-09-30 _Entry.Original_release_date 2016-09-30 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 V. Kovac V. . . . 34003 2 B. Zupancic B. . . . 34003 3 G. Ilc G. . . . 34003 4 V. 'Curin Serbec' V. . . . 34003 5 J. Plavec J. . . . 34003 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'BINDS TO mAb V5B2' . 34003 'STRUCTURE FROM CYANA 3.0' . 34003 'TRUNCATED FORM OF HUMAN PRION PROTEIN' . 34003 'transport protein' . 34003 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34003 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 427 34003 '15N chemical shifts' 143 34003 '1H chemical shifts' 865 34003 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2017-02-21 2016-01-01 update BMRB 'update entry citation' 34003 1 . . 2016-09-30 2016-01-01 original author 'original release' 34003 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5L6R 'BMRB Entry Tracking System' 34003 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34003 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 28109886 _Citation.Full_citation . _Citation.Title ; Truncated prion protein PrP226* - A structural view on its role in amyloid disease ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biochem. Biophys. Res. Commun.' _Citation.Journal_name_full 'Biochemical and biophysical research communications' _Citation.Journal_volume 484 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1090-2104 _Citation.Journal_CSD 0353 _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 45 _Citation.Page_last 50 _Citation.Year 2017 _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 Valerija Kovac V. . . . 34003 1 2 Blaz Zupancic B. . . . 34003 1 3 Gregor Ilc G. . . . 34003 1 4 Janez Plavec J. . . . 34003 1 5 Vladka 'Curin Serbec' V. . . . 34003 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34003 _Assembly.ID 1 _Assembly.Name 'Major prion protein' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _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 entity_1 1 $entity_1 A A yes . . . . . . 34003 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34003 _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 A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GQGGGTHSQWNKPSKPKTNM KHMAGAAAAGAVVGGLGGYM LGSAMSRPIIHFGSDYEDRY YRENMHRYPNQVYYRPMDEY SNQNNFVHDCVNITIKQHTV TTTTKGENFTETDVKMMERV VEQMCITQYERESQAYYGGH HHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 145 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment 'UNP residues 90-226' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 16595.449 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID ASCR na 34003 1 PrP na 34003 1 PrP27-30 na 34003 1 PrP33-35C na 34003 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 90 GLY . 34003 1 2 91 GLN . 34003 1 3 92 GLY . 34003 1 4 93 GLY . 34003 1 5 94 GLY . 34003 1 6 95 THR . 34003 1 7 96 HIS . 34003 1 8 97 SER . 34003 1 9 98 GLN . 34003 1 10 99 TRP . 34003 1 11 100 ASN . 34003 1 12 101 LYS . 34003 1 13 102 PRO . 34003 1 14 103 SER . 34003 1 15 104 LYS . 34003 1 16 105 PRO . 34003 1 17 106 LYS . 34003 1 18 107 THR . 34003 1 19 108 ASN . 34003 1 20 109 MET . 34003 1 21 110 LYS . 34003 1 22 111 HIS . 34003 1 23 112 MET . 34003 1 24 113 ALA . 34003 1 25 114 GLY . 34003 1 26 115 ALA . 34003 1 27 116 ALA . 34003 1 28 117 ALA . 34003 1 29 118 ALA . 34003 1 30 119 GLY . 34003 1 31 120 ALA . 34003 1 32 121 VAL . 34003 1 33 122 VAL . 34003 1 34 123 GLY . 34003 1 35 124 GLY . 34003 1 36 125 LEU . 34003 1 37 126 GLY . 34003 1 38 127 GLY . 34003 1 39 128 TYR . 34003 1 40 129 MET . 34003 1 41 130 LEU . 34003 1 42 131 GLY . 34003 1 43 132 SER . 34003 1 44 133 ALA . 34003 1 45 134 MET . 34003 1 46 135 SER . 34003 1 47 136 ARG . 34003 1 48 137 PRO . 34003 1 49 138 ILE . 34003 1 50 139 ILE . 34003 1 51 140 HIS . 34003 1 52 141 PHE . 34003 1 53 142 GLY . 34003 1 54 143 SER . 34003 1 55 144 ASP . 34003 1 56 145 TYR . 34003 1 57 146 GLU . 34003 1 58 147 ASP . 34003 1 59 148 ARG . 34003 1 60 149 TYR . 34003 1 61 150 TYR . 34003 1 62 151 ARG . 34003 1 63 152 GLU . 34003 1 64 153 ASN . 34003 1 65 154 MET . 34003 1 66 155 HIS . 34003 1 67 156 ARG . 34003 1 68 157 TYR . 34003 1 69 158 PRO . 34003 1 70 159 ASN . 34003 1 71 160 GLN . 34003 1 72 161 VAL . 34003 1 73 162 TYR . 34003 1 74 163 TYR . 34003 1 75 164 ARG . 34003 1 76 165 PRO . 34003 1 77 166 MET . 34003 1 78 167 ASP . 34003 1 79 168 GLU . 34003 1 80 169 TYR . 34003 1 81 170 SER . 34003 1 82 171 ASN . 34003 1 83 172 GLN . 34003 1 84 173 ASN . 34003 1 85 174 ASN . 34003 1 86 175 PHE . 34003 1 87 176 VAL . 34003 1 88 177 HIS . 34003 1 89 178 ASP . 34003 1 90 179 CYS . 34003 1 91 180 VAL . 34003 1 92 181 ASN . 34003 1 93 182 ILE . 34003 1 94 183 THR . 34003 1 95 184 ILE . 34003 1 96 185 LYS . 34003 1 97 186 GLN . 34003 1 98 187 HIS . 34003 1 99 188 THR . 34003 1 100 189 VAL . 34003 1 101 190 THR . 34003 1 102 191 THR . 34003 1 103 192 THR . 34003 1 104 193 THR . 34003 1 105 194 LYS . 34003 1 106 195 GLY . 34003 1 107 196 GLU . 34003 1 108 197 ASN . 34003 1 109 198 PHE . 34003 1 110 199 THR . 34003 1 111 200 GLU . 34003 1 112 201 THR . 34003 1 113 202 ASP . 34003 1 114 203 VAL . 34003 1 115 204 LYS . 34003 1 116 205 MET . 34003 1 117 206 MET . 34003 1 118 207 GLU . 34003 1 119 208 ARG . 34003 1 120 209 VAL . 34003 1 121 210 VAL . 34003 1 122 211 GLU . 34003 1 123 212 GLN . 34003 1 124 213 MET . 34003 1 125 214 CYS . 34003 1 126 215 ILE . 34003 1 127 216 THR . 34003 1 128 217 GLN . 34003 1 129 218 TYR . 34003 1 130 219 GLU . 34003 1 131 220 ARG . 34003 1 132 221 GLU . 34003 1 133 222 SER . 34003 1 134 223 GLN . 34003 1 135 224 ALA . 34003 1 136 225 TYR . 34003 1 137 226 TYR . 34003 1 138 227 GLY . 34003 1 139 228 GLY . 34003 1 140 229 HIS . 34003 1 141 230 HIS . 34003 1 142 231 HIS . 34003 1 143 232 HIS . 34003 1 144 233 HIS . 34003 1 145 234 HIS . 34003 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 34003 1 . GLN 2 2 34003 1 . GLY 3 3 34003 1 . GLY 4 4 34003 1 . GLY 5 5 34003 1 . THR 6 6 34003 1 . HIS 7 7 34003 1 . SER 8 8 34003 1 . GLN 9 9 34003 1 . TRP 10 10 34003 1 . ASN 11 11 34003 1 . LYS 12 12 34003 1 . PRO 13 13 34003 1 . SER 14 14 34003 1 . LYS 15 15 34003 1 . PRO 16 16 34003 1 . LYS 17 17 34003 1 . THR 18 18 34003 1 . ASN 19 19 34003 1 . MET 20 20 34003 1 . LYS 21 21 34003 1 . HIS 22 22 34003 1 . MET 23 23 34003 1 . ALA 24 24 34003 1 . GLY 25 25 34003 1 . ALA 26 26 34003 1 . ALA 27 27 34003 1 . ALA 28 28 34003 1 . ALA 29 29 34003 1 . GLY 30 30 34003 1 . ALA 31 31 34003 1 . VAL 32 32 34003 1 . VAL 33 33 34003 1 . GLY 34 34 34003 1 . GLY 35 35 34003 1 . LEU 36 36 34003 1 . GLY 37 37 34003 1 . GLY 38 38 34003 1 . TYR 39 39 34003 1 . MET 40 40 34003 1 . LEU 41 41 34003 1 . GLY 42 42 34003 1 . SER 43 43 34003 1 . ALA 44 44 34003 1 . MET 45 45 34003 1 . SER 46 46 34003 1 . ARG 47 47 34003 1 . PRO 48 48 34003 1 . ILE 49 49 34003 1 . ILE 50 50 34003 1 . HIS 51 51 34003 1 . PHE 52 52 34003 1 . GLY 53 53 34003 1 . SER 54 54 34003 1 . ASP 55 55 34003 1 . TYR 56 56 34003 1 . GLU 57 57 34003 1 . ASP 58 58 34003 1 . ARG 59 59 34003 1 . TYR 60 60 34003 1 . TYR 61 61 34003 1 . ARG 62 62 34003 1 . GLU 63 63 34003 1 . ASN 64 64 34003 1 . MET 65 65 34003 1 . HIS 66 66 34003 1 . ARG 67 67 34003 1 . TYR 68 68 34003 1 . PRO 69 69 34003 1 . ASN 70 70 34003 1 . GLN 71 71 34003 1 . VAL 72 72 34003 1 . TYR 73 73 34003 1 . TYR 74 74 34003 1 . ARG 75 75 34003 1 . PRO 76 76 34003 1 . MET 77 77 34003 1 . ASP 78 78 34003 1 . GLU 79 79 34003 1 . TYR 80 80 34003 1 . SER 81 81 34003 1 . ASN 82 82 34003 1 . GLN 83 83 34003 1 . ASN 84 84 34003 1 . ASN 85 85 34003 1 . PHE 86 86 34003 1 . VAL 87 87 34003 1 . HIS 88 88 34003 1 . ASP 89 89 34003 1 . CYS 90 90 34003 1 . VAL 91 91 34003 1 . ASN 92 92 34003 1 . ILE 93 93 34003 1 . THR 94 94 34003 1 . ILE 95 95 34003 1 . LYS 96 96 34003 1 . GLN 97 97 34003 1 . HIS 98 98 34003 1 . THR 99 99 34003 1 . VAL 100 100 34003 1 . THR 101 101 34003 1 . THR 102 102 34003 1 . THR 103 103 34003 1 . THR 104 104 34003 1 . LYS 105 105 34003 1 . GLY 106 106 34003 1 . GLU 107 107 34003 1 . ASN 108 108 34003 1 . PHE 109 109 34003 1 . THR 110 110 34003 1 . GLU 111 111 34003 1 . THR 112 112 34003 1 . ASP 113 113 34003 1 . VAL 114 114 34003 1 . LYS 115 115 34003 1 . MET 116 116 34003 1 . MET 117 117 34003 1 . GLU 118 118 34003 1 . ARG 119 119 34003 1 . VAL 120 120 34003 1 . VAL 121 121 34003 1 . GLU 122 122 34003 1 . GLN 123 123 34003 1 . MET 124 124 34003 1 . CYS 125 125 34003 1 . ILE 126 126 34003 1 . THR 127 127 34003 1 . GLN 128 128 34003 1 . TYR 129 129 34003 1 . GLU 130 130 34003 1 . ARG 131 131 34003 1 . GLU 132 132 34003 1 . SER 133 133 34003 1 . GLN 134 134 34003 1 . ALA 135 135 34003 1 . TYR 136 136 34003 1 . TYR 137 137 34003 1 . GLY 138 138 34003 1 . GLY 139 139 34003 1 . HIS 140 140 34003 1 . HIS 141 141 34003 1 . HIS 142 142 34003 1 . HIS 143 143 34003 1 . HIS 144 144 34003 1 . HIS 145 145 34003 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 34003 _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 . . . . . . . . . . . 'PRNP, ALTPRP, PRIP, PRP' . 34003 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 34003 _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 BL21(DE3)' . . 469008 . . . . . . . . . . . . 34003 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34003 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.9 mM (13C, 15N)-doubly labeled PrP226*, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 PrP226 '[U-13C; U-15N]' . . 1 $entity_1 . . 0.9 . . mM . . . . 34003 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 34003 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 150 . mM 34003 1 pH 4.9 . pH 34003 1 pressure 1 . atm 34003 1 temperature 298 . K 34003 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34003 _Software.ID 1 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 34003 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 34003 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34003 _Software.ID 2 _Software.Name CHIMERA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Resource for Biocomputing, Visualization, and Informatics' . . 34003 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 34003 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34003 _Software.ID 3 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 34003 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 34003 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34003 _Software.ID 4 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 34003 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 34003 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 34003 _Software.ID 5 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 34003 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 34003 5 stop_ save_ save_software_6 _Software.Sf_category software _Software.Sf_framecode software_6 _Software.Entry_ID 34003 _Software.ID 6 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 34003 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 34003 6 stop_ save_ save_software_7 _Software.Sf_category software _Software.Sf_framecode software_7 _Software.Entry_ID 34003 _Software.ID 7 _Software.Name VNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 34003 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 34003 7 stop_ save_ save_software_8 _Software.Sf_category software _Software.Sf_framecode software_8 _Software.Entry_ID 34003 _Software.ID 8 _Software.Name YASARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Prof. Dr. Gregor Hoegenauer, Prof. Dr. Guenther Koraimann, Prof. Dr. Andreas Kungl, Prof. Dr. Gert Vriend' . . 34003 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 34003 8 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 34003 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Agilent _NMR_spectrometer.Model VNMRS _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 34003 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Agilent VNMRS . 800 . . . 34003 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 34003 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34003 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34003 1 3 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34003 1 4 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34003 1 5 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34003 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34003 1 7 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34003 1 8 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34003 1 9 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34003 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34003 1 11 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34003 1 12 '3D CCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34003 1 13 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34003 1 14 '2D 1H-15N HSQC NH2 only' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34003 1 15 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34003 1 stop_ 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 34003 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 external indirect 0.25144953 . . . . . 34003 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 external indirect 1.0 . . . . . 34003 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 external indirect 0.10132912 . . . . . 34003 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 34003 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $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 1 '3D HNCO' . . . 34003 1 2 '3D HNCA' . . . 34003 1 3 '2D 1H-15N HSQC' . . . 34003 1 4 '2D 1H-13C HSQC aliphatic' . . . 34003 1 5 '3D 1H-13C NOESY aromatic' . . . 34003 1 6 '3D CBCA(CO)NH' . . . 34003 1 7 '2D 1H-13C HSQC aromatic' . . . 34003 1 8 '3D 1H-13C NOESY aliphatic' . . . 34003 1 9 '3D HNCACB' . . . 34003 1 10 '3D HCCH-TOCSY' . . . 34003 1 11 '3D 1H-15N NOESY' . . . 34003 1 12 '3D CCH-TOCSY' . . . 34003 1 13 '3D HBHA(CO)NH' . . . 34003 1 14 '2D 1H-15N HSQC NH2 only' . . . 34003 1 15 '3D HN(CO)CA' . . . 34003 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 . . 34003 1 4 $software_4 . . 34003 1 5 $software_5 . . 34003 1 7 $software_7 . . 34003 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY H H 1 8.763 0.000 . . . . . A 90 GLY H1 . 34003 1 2 . 1 1 1 1 GLY HA2 H 1 4.798 0.000 . . . . . A 90 GLY HA2 . 34003 1 3 . 1 1 1 1 GLY HA3 H 1 4.747 0.000 . . . . . A 90 GLY HA3 . 34003 1 4 . 1 1 1 1 GLY CA C 13 45.115 0.001 . . . . . A 90 GLY CA . 34003 1 5 . 1 1 1 1 GLY N N 15 111.940 0.000 . . . . . A 90 GLY N . 34003 1 6 . 1 1 2 2 GLN H H 1 8.508 0.000 . . . . . A 91 GLN H . 34003 1 7 . 1 1 2 2 GLN HA H 1 4.364 0.000 . . . . . A 91 GLN HA . 34003 1 8 . 1 1 2 2 GLN HB2 H 1 1.983 0.000 . . . . . A 91 GLN HB2 . 34003 1 9 . 1 1 2 2 GLN HB3 H 1 2.125 0.000 . . . . . A 91 GLN HB3 . 34003 1 10 . 1 1 2 2 GLN HG2 H 1 2.364 0.000 . . . . . A 91 GLN HG2 . 34003 1 11 . 1 1 2 2 GLN HG3 H 1 2.364 0.000 . . . . . A 91 GLN HG3 . 34003 1 12 . 1 1 2 2 GLN HE21 H 1 7.527 0.000 . . . . . A 91 GLN HE21 . 34003 1 13 . 1 1 2 2 GLN HE22 H 1 6.855 0.000 . . . . . A 91 GLN HE22 . 34003 1 14 . 1 1 2 2 GLN CA C 13 55.931 0.000 . . . . . A 91 GLN CA . 34003 1 15 . 1 1 2 2 GLN CB C 13 29.492 0.009 . . . . . A 91 GLN CB . 34003 1 16 . 1 1 2 2 GLN CG C 13 33.681 0.000 . . . . . A 91 GLN CG . 34003 1 17 . 1 1 2 2 GLN N N 15 120.240 0.000 . . . . . A 91 GLN N . 34003 1 18 . 1 1 2 2 GLN NE2 N 15 112.279 0.001 . . . . . A 91 GLN NE2 . 34003 1 19 . 1 1 3 3 GLY H H 1 8.626 0.000 . . . . . A 92 GLY H . 34003 1 20 . 1 1 3 3 GLY HA2 H 1 3.989 0.000 . . . . . A 92 GLY HA2 . 34003 1 21 . 1 1 3 3 GLY HA3 H 1 3.990 0.000 . . . . . A 92 GLY HA3 . 34003 1 22 . 1 1 3 3 GLY CA C 13 45.001 0.002 . . . . . A 92 GLY CA . 34003 1 23 . 1 1 3 3 GLY N N 15 110.845 0.000 . . . . . A 92 GLY N . 34003 1 24 . 1 1 4 4 GLY H H 1 8.350 0.000 . . . . . A 93 GLY H . 34003 1 25 . 1 1 4 4 GLY HA2 H 1 3.990 0.000 . . . . . A 93 GLY HA2 . 34003 1 26 . 1 1 4 4 GLY HA3 H 1 3.991 0.000 . . . . . A 93 GLY HA3 . 34003 1 27 . 1 1 4 4 GLY CA C 13 45.115 0.005 . . . . . A 93 GLY CA . 34003 1 28 . 1 1 4 4 GLY N N 15 108.774 0.000 . . . . . A 93 GLY N . 34003 1 29 . 1 1 5 5 GLY H H 1 8.367 0.000 . . . . . A 94 GLY H . 34003 1 30 . 1 1 5 5 GLY HA2 H 1 3.925 0.000 . . . . . A 94 GLY HA2 . 34003 1 31 . 1 1 5 5 GLY HA3 H 1 3.925 0.000 . . . . . A 94 GLY HA3 . 34003 1 32 . 1 1 5 5 GLY CA C 13 45.064 0.001 . . . . . A 94 GLY CA . 34003 1 33 . 1 1 5 5 GLY N N 15 108.831 0.000 . . . . . A 94 GLY N . 34003 1 34 . 1 1 6 6 THR H H 1 8.120 0.000 . . . . . A 95 THR H . 34003 1 35 . 1 1 6 6 THR HA H 1 4.275 0.000 . . . . . A 95 THR HA . 34003 1 36 . 1 1 6 6 THR HB H 1 4.157 0.000 . . . . . A 95 THR HB . 34003 1 37 . 1 1 6 6 THR HG21 H 1 1.143 0.000 . . . . . A 95 THR HG21 . 34003 1 38 . 1 1 6 6 THR HG22 H 1 1.143 0.000 . . . . . A 95 THR HG22 . 34003 1 39 . 1 1 6 6 THR HG23 H 1 1.143 0.000 . . . . . A 95 THR HG23 . 34003 1 40 . 1 1 6 6 THR CA C 13 61.892 0.000 . . . . . A 95 THR CA . 34003 1 41 . 1 1 6 6 THR CB C 13 69.716 0.000 . . . . . A 95 THR CB . 34003 1 42 . 1 1 6 6 THR CG2 C 13 21.420 0.000 . . . . . A 95 THR CG2 . 34003 1 43 . 1 1 6 6 THR N N 15 113.449 0.000 . . . . . A 95 THR N . 34003 1 44 . 1 1 7 7 HIS H H 1 8.568 0.000 . . . . . A 96 HIS H . 34003 1 45 . 1 1 7 7 HIS HA H 1 4.702 0.000 . . . . . A 96 HIS HA . 34003 1 46 . 1 1 7 7 HIS HB2 H 1 3.231 0.000 . . . . . A 96 HIS HB2 . 34003 1 47 . 1 1 7 7 HIS HB3 H 1 3.114 0.000 . . . . . A 96 HIS HB3 . 34003 1 48 . 1 1 7 7 HIS HD2 H 1 7.178 0.000 . . . . . A 96 HIS HD2 . 34003 1 49 . 1 1 7 7 HIS HE1 H 1 8.423 0.000 . . . . . A 96 HIS HE1 . 34003 1 50 . 1 1 7 7 HIS CA C 13 55.220 0.000 . . . . . A 96 HIS CA . 34003 1 51 . 1 1 7 7 HIS CB C 13 29.066 0.007 . . . . . A 96 HIS CB . 34003 1 52 . 1 1 7 7 HIS CD2 C 13 119.887 0.000 . . . . . A 96 HIS CD2 . 34003 1 53 . 1 1 7 7 HIS CE1 C 13 136.639 0.000 . . . . . A 96 HIS CE1 . 34003 1 54 . 1 1 7 7 HIS N N 15 120.643 0.000 . . . . . A 96 HIS N . 34003 1 55 . 1 1 8 8 SER H H 1 8.307 0.000 . . . . . A 97 SER H . 34003 1 56 . 1 1 8 8 SER HA H 1 4.366 0.000 . . . . . A 97 SER HA . 34003 1 57 . 1 1 8 8 SER HB2 H 1 3.747 0.000 . . . . . A 97 SER HB2 . 34003 1 58 . 1 1 8 8 SER HB3 H 1 3.791 0.000 . . . . . A 97 SER HB3 . 34003 1 59 . 1 1 8 8 SER CA C 13 58.338 0.000 . . . . . A 97 SER CA . 34003 1 60 . 1 1 8 8 SER CB C 13 63.612 0.003 . . . . . A 97 SER CB . 34003 1 61 . 1 1 8 8 SER N N 15 117.026 0.000 . . . . . A 97 SER N . 34003 1 62 . 1 1 9 9 GLN H H 1 8.469 0.000 . . . . . A 98 GLN H . 34003 1 63 . 1 1 9 9 GLN HA H 1 4.273 0.000 . . . . . A 98 GLN HA . 34003 1 64 . 1 1 9 9 GLN HB2 H 1 1.952 0.000 . . . . . A 98 GLN HB2 . 34003 1 65 . 1 1 9 9 GLN HB3 H 1 1.857 0.000 . . . . . A 98 GLN HB3 . 34003 1 66 . 1 1 9 9 GLN HG2 H 1 2.152 0.000 . . . . . A 98 GLN HG2 . 34003 1 67 . 1 1 9 9 GLN HG3 H 1 2.152 0.000 . . . . . A 98 GLN HG3 . 34003 1 68 . 1 1 9 9 GLN HE21 H 1 6.826 0.000 . . . . . A 98 GLN HE21 . 34003 1 69 . 1 1 9 9 GLN HE22 H 1 7.400 0.000 . . . . . A 98 GLN HE22 . 34003 1 70 . 1 1 9 9 GLN CA C 13 55.961 0.000 . . . . . A 98 GLN CA . 34003 1 71 . 1 1 9 9 GLN CB C 13 29.084 0.012 . . . . . A 98 GLN CB . 34003 1 72 . 1 1 9 9 GLN CG C 13 33.441 0.000 . . . . . A 98 GLN CG . 34003 1 73 . 1 1 9 9 GLN N N 15 122.127 0.000 . . . . . A 98 GLN N . 34003 1 74 . 1 1 9 9 GLN NE2 N 15 112.253 0.001 . . . . . A 98 GLN NE2 . 34003 1 75 . 1 1 10 10 TRP H H 1 8.119 0.000 . . . . . A 99 TRP H . 34003 1 76 . 1 1 10 10 TRP HA H 1 4.668 0.000 . . . . . A 99 TRP HA . 34003 1 77 . 1 1 10 10 TRP HB2 H 1 3.194 0.000 . . . . . A 99 TRP HB2 . 34003 1 78 . 1 1 10 10 TRP HB3 H 1 3.289 0.000 . . . . . A 99 TRP HB3 . 34003 1 79 . 1 1 10 10 TRP HD1 H 1 7.219 0.000 . . . . . A 99 TRP HD1 . 34003 1 80 . 1 1 10 10 TRP HE1 H 1 10.102 0.000 . . . . . A 99 TRP HE1 . 34003 1 81 . 1 1 10 10 TRP HE3 H 1 7.592 0.000 . . . . . A 99 TRP HE3 . 34003 1 82 . 1 1 10 10 TRP HZ2 H 1 7.447 0.000 . . . . . A 99 TRP HZ2 . 34003 1 83 . 1 1 10 10 TRP HZ3 H 1 7.114 0.000 . . . . . A 99 TRP HZ3 . 34003 1 84 . 1 1 10 10 TRP HH2 H 1 7.200 0.000 . . . . . A 99 TRP HH2 . 34003 1 85 . 1 1 10 10 TRP CA C 13 57.054 0.000 . . . . . A 99 TRP CA . 34003 1 86 . 1 1 10 10 TRP CB C 13 29.459 0.010 . . . . . A 99 TRP CB . 34003 1 87 . 1 1 10 10 TRP CD1 C 13 127.034 0.000 . . . . . A 99 TRP CD1 . 34003 1 88 . 1 1 10 10 TRP CE3 C 13 120.900 0.000 . . . . . A 99 TRP CE3 . 34003 1 89 . 1 1 10 10 TRP CZ2 C 13 114.611 0.000 . . . . . A 99 TRP CZ2 . 34003 1 90 . 1 1 10 10 TRP CZ3 C 13 122.053 0.000 . . . . . A 99 TRP CZ3 . 34003 1 91 . 1 1 10 10 TRP CH2 C 13 124.676 0.000 . . . . . A 99 TRP CH2 . 34003 1 92 . 1 1 10 10 TRP N N 15 121.844 0.000 . . . . . A 99 TRP N . 34003 1 93 . 1 1 10 10 TRP NE1 N 15 129.243 0.000 . . . . . A 99 TRP NE1 . 34003 1 94 . 1 1 11 11 ASN H H 1 8.112 0.000 . . . . . A 100 ASN H . 34003 1 95 . 1 1 11 11 ASN HA H 1 4.651 0.000 . . . . . A 100 ASN HA . 34003 1 96 . 1 1 11 11 ASN HB2 H 1 2.528 0.000 . . . . . A 100 ASN HB2 . 34003 1 97 . 1 1 11 11 ASN HB3 H 1 2.553 0.000 . . . . . A 100 ASN HB3 . 34003 1 98 . 1 1 11 11 ASN HD21 H 1 6.820 0.000 . . . . . A 100 ASN HD21 . 34003 1 99 . 1 1 11 11 ASN HD22 H 1 7.456 0.000 . . . . . A 100 ASN HD22 . 34003 1 100 . 1 1 11 11 ASN CA C 13 52.742 0.000 . . . . . A 100 ASN CA . 34003 1 101 . 1 1 11 11 ASN CB C 13 38.753 0.006 . . . . . A 100 ASN CB . 34003 1 102 . 1 1 11 11 ASN N N 15 120.717 0.000 . . . . . A 100 ASN N . 34003 1 103 . 1 1 11 11 ASN ND2 N 15 112.507 0.001 . . . . . A 100 ASN ND2 . 34003 1 104 . 1 1 12 12 LYS H H 1 8.000 0.000 . . . . . A 101 LYS H . 34003 1 105 . 1 1 12 12 LYS HA H 1 4.429 0.000 . . . . . A 101 LYS HA . 34003 1 106 . 1 1 12 12 LYS HB2 H 1 1.756 0.000 . . . . . A 101 LYS HB2 . 34003 1 107 . 1 1 12 12 LYS HB3 H 1 1.756 0.000 . . . . . A 101 LYS HB3 . 34003 1 108 . 1 1 12 12 LYS HG2 H 1 1.397 0.000 . . . . . A 101 LYS HG2 . 34003 1 109 . 1 1 12 12 LYS HG3 H 1 1.347 0.000 . . . . . A 101 LYS HG3 . 34003 1 110 . 1 1 12 12 LYS HD2 H 1 1.592 0.000 . . . . . A 101 LYS HD2 . 34003 1 111 . 1 1 12 12 LYS HD3 H 1 1.608 0.000 . . . . . A 101 LYS HD3 . 34003 1 112 . 1 1 12 12 LYS HE2 H 1 2.962 0.000 . . . . . A 101 LYS HE2 . 34003 1 113 . 1 1 12 12 LYS HE3 H 1 2.974 0.000 . . . . . A 101 LYS HE3 . 34003 1 114 . 1 1 12 12 LYS CA C 13 54.115 0.000 . . . . . A 101 LYS CA . 34003 1 115 . 1 1 12 12 LYS CB C 13 32.505 0.000 . . . . . A 101 LYS CB . 34003 1 116 . 1 1 12 12 LYS CG C 13 24.665 0.007 . . . . . A 101 LYS CG . 34003 1 117 . 1 1 12 12 LYS CD C 13 29.004 0.002 . . . . . A 101 LYS CD . 34003 1 118 . 1 1 12 12 LYS CE C 13 41.832 0.002 . . . . . A 101 LYS CE . 34003 1 119 . 1 1 12 12 LYS N N 15 122.734 0.000 . . . . . A 101 LYS N . 34003 1 120 . 1 1 13 13 PRO HA H 1 4.404 0.000 . . . . . A 102 PRO HA . 34003 1 121 . 1 1 13 13 PRO HB2 H 1 2.288 0.000 . . . . . A 102 PRO HB2 . 34003 1 122 . 1 1 13 13 PRO HB3 H 1 1.893 0.000 . . . . . A 102 PRO HB3 . 34003 1 123 . 1 1 13 13 PRO HG2 H 1 2.011 0.000 . . . . . A 102 PRO HG2 . 34003 1 124 . 1 1 13 13 PRO HG3 H 1 2.011 0.000 . . . . . A 102 PRO HG3 . 34003 1 125 . 1 1 13 13 PRO HD2 H 1 3.772 0.000 . . . . . A 102 PRO HD2 . 34003 1 126 . 1 1 13 13 PRO HD3 H 1 3.619 0.000 . . . . . A 102 PRO HD3 . 34003 1 127 . 1 1 13 13 PRO CA C 13 62.996 0.000 . . . . . A 102 PRO CA . 34003 1 128 . 1 1 13 13 PRO CB C 13 32.103 0.000 . . . . . A 102 PRO CB . 34003 1 129 . 1 1 13 13 PRO CG C 13 27.346 0.000 . . . . . A 102 PRO CG . 34003 1 130 . 1 1 13 13 PRO CD C 13 50.653 0.004 . . . . . A 102 PRO CD . 34003 1 131 . 1 1 14 14 SER H H 1 8.427 0.000 . . . . . A 103 SER H . 34003 1 132 . 1 1 14 14 SER HA H 1 4.426 0.000 . . . . . A 103 SER HA . 34003 1 133 . 1 1 14 14 SER HB2 H 1 3.821 0.000 . . . . . A 103 SER HB2 . 34003 1 134 . 1 1 14 14 SER HB3 H 1 3.821 0.000 . . . . . A 103 SER HB3 . 34003 1 135 . 1 1 14 14 SER CA C 13 57.959 0.000 . . . . . A 103 SER CA . 34003 1 136 . 1 1 14 14 SER CB C 13 63.866 0.000 . . . . . A 103 SER CB . 34003 1 137 . 1 1 14 14 SER N N 15 116.927 0.000 . . . . . A 103 SER N . 34003 1 138 . 1 1 15 15 LYS H H 1 8.337 0.000 . . . . . A 104 LYS H . 34003 1 139 . 1 1 15 15 LYS HA H 1 4.613 0.000 . . . . . A 104 LYS HA . 34003 1 140 . 1 1 15 15 LYS HB2 H 1 1.811 0.000 . . . . . A 104 LYS HB2 . 34003 1 141 . 1 1 15 15 LYS HB3 H 1 1.811 0.000 . . . . . A 104 LYS HB3 . 34003 1 142 . 1 1 15 15 LYS HG2 H 1 1.472 0.000 . . . . . A 104 LYS HG2 . 34003 1 143 . 1 1 15 15 LYS HG3 H 1 1.438 0.000 . . . . . A 104 LYS HG3 . 34003 1 144 . 1 1 15 15 LYS HD2 H 1 1.694 0.000 . . . . . A 104 LYS HD2 . 34003 1 145 . 1 1 15 15 LYS HD3 H 1 1.686 0.000 . . . . . A 104 LYS HD3 . 34003 1 146 . 1 1 15 15 LYS HE2 H 1 2.975 0.000 . . . . . A 104 LYS HE2 . 34003 1 147 . 1 1 15 15 LYS HE3 H 1 2.956 0.000 . . . . . A 104 LYS HE3 . 34003 1 148 . 1 1 15 15 LYS CA C 13 54.163 0.000 . . . . . A 104 LYS CA . 34003 1 149 . 1 1 15 15 LYS CB C 13 32.615 0.000 . . . . . A 104 LYS CB . 34003 1 150 . 1 1 15 15 LYS CG C 13 24.591 0.009 . . . . . A 104 LYS CG . 34003 1 151 . 1 1 15 15 LYS CD C 13 29.029 0.004 . . . . . A 104 LYS CD . 34003 1 152 . 1 1 15 15 LYS CE C 13 41.877 0.006 . . . . . A 104 LYS CE . 34003 1 153 . 1 1 15 15 LYS N N 15 124.195 0.000 . . . . . A 104 LYS N . 34003 1 154 . 1 1 16 16 PRO HA H 1 4.648 0.000 . . . . . A 105 PRO HA . 34003 1 155 . 1 1 16 16 PRO HB2 H 1 2.147 0.000 . . . . . A 105 PRO HB2 . 34003 1 156 . 1 1 16 16 PRO HB3 H 1 2.147 0.000 . . . . . A 105 PRO HB3 . 34003 1 157 . 1 1 16 16 PRO HG2 H 1 2.011 0.000 . . . . . A 105 PRO HG2 . 34003 1 158 . 1 1 16 16 PRO HG3 H 1 2.011 0.000 . . . . . A 105 PRO HG3 . 34003 1 159 . 1 1 16 16 PRO HD2 H 1 3.619 0.000 . . . . . A 105 PRO HD2 . 34003 1 160 . 1 1 16 16 PRO HD3 H 1 3.819 0.000 . . . . . A 105 PRO HD3 . 34003 1 161 . 1 1 16 16 PRO CA C 13 62.744 0.000 . . . . . A 105 PRO CA . 34003 1 162 . 1 1 16 16 PRO CB C 13 34.501 0.000 . . . . . A 105 PRO CB . 34003 1 163 . 1 1 16 16 PRO CG C 13 27.346 0.000 . . . . . A 105 PRO CG . 34003 1 164 . 1 1 16 16 PRO CD C 13 50.666 0.009 . . . . . A 105 PRO CD . 34003 1 165 . 1 1 17 17 LYS H H 1 8.627 0.000 . . . . . A 106 LYS H . 34003 1 166 . 1 1 17 17 LYS HA H 1 4.331 0.000 . . . . . A 106 LYS HA . 34003 1 167 . 1 1 17 17 LYS HB2 H 1 1.751 0.000 . . . . . A 106 LYS HB2 . 34003 1 168 . 1 1 17 17 LYS HB3 H 1 1.746 0.000 . . . . . A 106 LYS HB3 . 34003 1 169 . 1 1 17 17 LYS HG2 H 1 1.501 0.000 . . . . . A 106 LYS HG2 . 34003 1 170 . 1 1 17 17 LYS HG3 H 1 1.452 0.000 . . . . . A 106 LYS HG3 . 34003 1 171 . 1 1 17 17 LYS HD2 H 1 1.628 0.000 . . . . . A 106 LYS HD2 . 34003 1 172 . 1 1 17 17 LYS HD3 H 1 1.628 0.000 . . . . . A 106 LYS HD3 . 34003 1 173 . 1 1 17 17 LYS HE2 H 1 2.946 0.000 . . . . . A 106 LYS HE2 . 34003 1 174 . 1 1 17 17 LYS HE3 H 1 2.996 0.000 . . . . . A 106 LYS HE3 . 34003 1 175 . 1 1 17 17 LYS CA C 13 56.299 0.000 . . . . . A 106 LYS CA . 34003 1 176 . 1 1 17 17 LYS CB C 13 32.806 0.004 . . . . . A 106 LYS CB . 34003 1 177 . 1 1 17 17 LYS CG C 13 24.924 0.006 . . . . . A 106 LYS CG . 34003 1 178 . 1 1 17 17 LYS CD C 13 28.962 0.001 . . . . . A 106 LYS CD . 34003 1 179 . 1 1 17 17 LYS CE C 13 41.829 0.048 . . . . . A 106 LYS CE . 34003 1 180 . 1 1 17 17 LYS N N 15 121.968 0.000 . . . . . A 106 LYS N . 34003 1 181 . 1 1 18 18 THR H H 1 8.141 0.000 . . . . . A 107 THR H . 34003 1 182 . 1 1 18 18 THR HA H 1 4.317 0.000 . . . . . A 107 THR HA . 34003 1 183 . 1 1 18 18 THR HB H 1 4.158 0.000 . . . . . A 107 THR HB . 34003 1 184 . 1 1 18 18 THR HG21 H 1 1.175 0.000 . . . . . A 107 THR HG21 . 34003 1 185 . 1 1 18 18 THR HG22 H 1 1.175 0.000 . . . . . A 107 THR HG22 . 34003 1 186 . 1 1 18 18 THR HG23 H 1 1.175 0.000 . . . . . A 107 THR HG23 . 34003 1 187 . 1 1 18 18 THR CA C 13 61.474 0.000 . . . . . A 107 THR CA . 34003 1 188 . 1 1 18 18 THR CB C 13 69.757 0.000 . . . . . A 107 THR CB . 34003 1 189 . 1 1 18 18 THR CG2 C 13 21.472 0.000 . . . . . A 107 THR CG2 . 34003 1 190 . 1 1 18 18 THR N N 15 115.350 0.000 . . . . . A 107 THR N . 34003 1 191 . 1 1 19 19 ASN H H 1 8.544 0.000 . . . . . A 108 ASN H . 34003 1 192 . 1 1 19 19 ASN HA H 1 4.706 0.000 . . . . . A 108 ASN HA . 34003 1 193 . 1 1 19 19 ASN HB2 H 1 2.820 0.000 . . . . . A 108 ASN HB2 . 34003 1 194 . 1 1 19 19 ASN HB3 H 1 2.752 0.000 . . . . . A 108 ASN HB3 . 34003 1 195 . 1 1 19 19 ASN HD21 H 1 6.943 0.000 . . . . . A 108 ASN HD21 . 34003 1 196 . 1 1 19 19 ASN HD22 H 1 7.582 0.000 . . . . . A 108 ASN HD22 . 34003 1 197 . 1 1 19 19 ASN CA C 13 52.973 0.000 . . . . . A 108 ASN CA . 34003 1 198 . 1 1 19 19 ASN CB C 13 38.669 0.002 . . . . . A 108 ASN CB . 34003 1 199 . 1 1 19 19 ASN N N 15 121.419 0.000 . . . . . A 108 ASN N . 34003 1 200 . 1 1 19 19 ASN ND2 N 15 112.773 0.000 . . . . . A 108 ASN ND2 . 34003 1 201 . 1 1 20 20 MET H H 1 8.353 0.000 . . . . . A 109 MET H . 34003 1 202 . 1 1 20 20 MET HA H 1 4.430 0.000 . . . . . A 109 MET HA . 34003 1 203 . 1 1 20 20 MET HB2 H 1 1.951 0.000 . . . . . A 109 MET HB2 . 34003 1 204 . 1 1 20 20 MET HB3 H 1 2.055 0.000 . . . . . A 109 MET HB3 . 34003 1 205 . 1 1 20 20 MET HG2 H 1 2.481 0.000 . . . . . A 109 MET HG2 . 34003 1 206 . 1 1 20 20 MET HG3 H 1 2.556 0.000 . . . . . A 109 MET HG3 . 34003 1 207 . 1 1 20 20 MET HE1 H 1 2.025 0.000 . . . . . A 109 MET HE1 . 34003 1 208 . 1 1 20 20 MET HE2 H 1 2.025 0.000 . . . . . A 109 MET HE2 . 34003 1 209 . 1 1 20 20 MET HE3 H 1 2.025 0.000 . . . . . A 109 MET HE3 . 34003 1 210 . 1 1 20 20 MET CA C 13 55.421 0.000 . . . . . A 109 MET CA . 34003 1 211 . 1 1 20 20 MET CB C 13 32.915 0.010 . . . . . A 109 MET CB . 34003 1 212 . 1 1 20 20 MET CG C 13 31.895 0.003 . . . . . A 109 MET CG . 34003 1 213 . 1 1 20 20 MET CE C 13 17.615 0.000 . . . . . A 109 MET CE . 34003 1 214 . 1 1 20 20 MET N N 15 121.377 0.000 . . . . . A 109 MET N . 34003 1 215 . 1 1 21 21 LYS H H 1 8.297 0.000 . . . . . A 110 LYS H . 34003 1 216 . 1 1 21 21 LYS HA H 1 4.227 0.000 . . . . . A 110 LYS HA . 34003 1 217 . 1 1 21 21 LYS HB2 H 1 1.712 0.000 . . . . . A 110 LYS HB2 . 34003 1 218 . 1 1 21 21 LYS HB3 H 1 1.719 0.000 . . . . . A 110 LYS HB3 . 34003 1 219 . 1 1 21 21 LYS HG2 H 1 1.339 0.000 . . . . . A 110 LYS HG2 . 34003 1 220 . 1 1 21 21 LYS HG3 H 1 1.395 0.000 . . . . . A 110 LYS HG3 . 34003 1 221 . 1 1 21 21 LYS HD2 H 1 1.622 0.000 . . . . . A 110 LYS HD2 . 34003 1 222 . 1 1 21 21 LYS HD3 H 1 1.625 0.000 . . . . . A 110 LYS HD3 . 34003 1 223 . 1 1 21 21 LYS HE2 H 1 2.948 0.000 . . . . . A 110 LYS HE2 . 34003 1 224 . 1 1 21 21 LYS HE3 H 1 2.905 0.000 . . . . . A 110 LYS HE3 . 34003 1 225 . 1 1 21 21 LYS CA C 13 56.381 0.000 . . . . . A 110 LYS CA . 34003 1 226 . 1 1 21 21 LYS CB C 13 32.843 0.002 . . . . . A 110 LYS CB . 34003 1 227 . 1 1 21 21 LYS CG C 13 24.807 0.012 . . . . . A 110 LYS CG . 34003 1 228 . 1 1 21 21 LYS CD C 13 29.023 0.029 . . . . . A 110 LYS CD . 34003 1 229 . 1 1 21 21 LYS CE C 13 41.828 0.003 . . . . . A 110 LYS CE . 34003 1 230 . 1 1 21 21 LYS N N 15 122.328 0.000 . . . . . A 110 LYS N . 34003 1 231 . 1 1 22 22 HIS H H 1 8.505 0.000 . . . . . A 111 HIS H . 34003 1 232 . 1 1 22 22 HIS HA H 1 4.649 0.000 . . . . . A 111 HIS HA . 34003 1 233 . 1 1 22 22 HIS HB2 H 1 3.165 0.000 . . . . . A 111 HIS HB2 . 34003 1 234 . 1 1 22 22 HIS HB3 H 1 3.108 0.000 . . . . . A 111 HIS HB3 . 34003 1 235 . 1 1 22 22 HIS HD2 H 1 7.178 0.000 . . . . . A 111 HIS HD2 . 34003 1 236 . 1 1 22 22 HIS HE1 H 1 8.469 0.000 . . . . . A 111 HIS HE1 . 34003 1 237 . 1 1 22 22 HIS CA C 13 55.302 0.000 . . . . . A 111 HIS CA . 34003 1 238 . 1 1 22 22 HIS CB C 13 29.544 0.006 . . . . . A 111 HIS CB . 34003 1 239 . 1 1 22 22 HIS CD2 C 13 119.972 0.000 . . . . . A 111 HIS CD2 . 34003 1 240 . 1 1 22 22 HIS CE1 C 13 136.459 0.000 . . . . . A 111 HIS CE1 . 34003 1 241 . 1 1 22 22 HIS N N 15 119.987 0.000 . . . . . A 111 HIS N . 34003 1 242 . 1 1 23 23 MET H H 1 8.420 0.000 . . . . . A 112 MET H . 34003 1 243 . 1 1 23 23 MET HA H 1 4.456 0.000 . . . . . A 112 MET HA . 34003 1 244 . 1 1 23 23 MET HB2 H 1 2.054 0.000 . . . . . A 112 MET HB2 . 34003 1 245 . 1 1 23 23 MET HB3 H 1 1.951 0.000 . . . . . A 112 MET HB3 . 34003 1 246 . 1 1 23 23 MET HG2 H 1 2.558 0.000 . . . . . A 112 MET HG2 . 34003 1 247 . 1 1 23 23 MET HG3 H 1 2.481 0.000 . . . . . A 112 MET HG3 . 34003 1 248 . 1 1 23 23 MET HE1 H 1 2.001 0.000 . . . . . A 112 MET HE1 . 34003 1 249 . 1 1 23 23 MET HE2 H 1 2.001 0.000 . . . . . A 112 MET HE2 . 34003 1 250 . 1 1 23 23 MET HE3 H 1 2.001 0.000 . . . . . A 112 MET HE3 . 34003 1 251 . 1 1 23 23 MET CA C 13 55.114 0.000 . . . . . A 112 MET CA . 34003 1 252 . 1 1 23 23 MET CB C 13 32.837 0.033 . . . . . A 112 MET CB . 34003 1 253 . 1 1 23 23 MET CG C 13 31.928 0.009 . . . . . A 112 MET CG . 34003 1 254 . 1 1 23 23 MET CE C 13 17.140 0.000 . . . . . A 112 MET CE . 34003 1 255 . 1 1 23 23 MET N N 15 122.807 0.000 . . . . . A 112 MET N . 34003 1 256 . 1 1 24 24 ALA H H 1 8.422 0.000 . . . . . A 113 ALA H . 34003 1 257 . 1 1 24 24 ALA HA H 1 4.280 0.000 . . . . . A 113 ALA HA . 34003 1 258 . 1 1 24 24 ALA HB1 H 1 1.368 0.000 . . . . . A 113 ALA HB1 . 34003 1 259 . 1 1 24 24 ALA HB2 H 1 1.368 0.000 . . . . . A 113 ALA HB2 . 34003 1 260 . 1 1 24 24 ALA HB3 H 1 1.368 0.000 . . . . . A 113 ALA HB3 . 34003 1 261 . 1 1 24 24 ALA CA C 13 52.541 0.000 . . . . . A 113 ALA CA . 34003 1 262 . 1 1 24 24 ALA CB C 13 19.237 0.000 . . . . . A 113 ALA CB . 34003 1 263 . 1 1 24 24 ALA N N 15 125.865 0.000 . . . . . A 113 ALA N . 34003 1 264 . 1 1 25 25 GLY H H 1 8.381 0.000 . . . . . A 114 GLY H . 34003 1 265 . 1 1 25 25 GLY HA2 H 1 3.917 0.000 . . . . . A 114 GLY HA2 . 34003 1 266 . 1 1 25 25 GLY HA3 H 1 3.919 0.000 . . . . . A 114 GLY HA3 . 34003 1 267 . 1 1 25 25 GLY CA C 13 44.992 0.002 . . . . . A 114 GLY CA . 34003 1 268 . 1 1 25 25 GLY N N 15 108.528 0.000 . . . . . A 114 GLY N . 34003 1 269 . 1 1 26 26 ALA H H 1 8.048 0.000 . . . . . A 115 ALA H . 34003 1 270 . 1 1 26 26 ALA HA H 1 4.260 0.000 . . . . . A 115 ALA HA . 34003 1 271 . 1 1 26 26 ALA HB1 H 1 1.344 0.000 . . . . . A 115 ALA HB1 . 34003 1 272 . 1 1 26 26 ALA HB2 H 1 1.344 0.000 . . . . . A 115 ALA HB2 . 34003 1 273 . 1 1 26 26 ALA HB3 H 1 1.344 0.000 . . . . . A 115 ALA HB3 . 34003 1 274 . 1 1 26 26 ALA CA C 13 52.420 0.000 . . . . . A 115 ALA CA . 34003 1 275 . 1 1 26 26 ALA CB C 13 19.461 0.000 . . . . . A 115 ALA CB . 34003 1 276 . 1 1 26 26 ALA N N 15 123.559 0.000 . . . . . A 115 ALA N . 34003 1 277 . 1 1 27 27 ALA H H 1 8.191 0.000 . . . . . A 116 ALA H . 34003 1 278 . 1 1 27 27 ALA HA H 1 4.261 0.000 . . . . . A 116 ALA HA . 34003 1 279 . 1 1 27 27 ALA HB1 H 1 1.355 0.000 . . . . . A 116 ALA HB1 . 34003 1 280 . 1 1 27 27 ALA HB2 H 1 1.355 0.000 . . . . . A 116 ALA HB2 . 34003 1 281 . 1 1 27 27 ALA HB3 H 1 1.355 0.000 . . . . . A 116 ALA HB3 . 34003 1 282 . 1 1 27 27 ALA CA C 13 52.371 0.000 . . . . . A 116 ALA CA . 34003 1 283 . 1 1 27 27 ALA CB C 13 19.175 0.000 . . . . . A 116 ALA CB . 34003 1 284 . 1 1 27 27 ALA N N 15 123.360 0.000 . . . . . A 116 ALA N . 34003 1 285 . 1 1 28 28 ALA H H 1 8.283 0.000 . . . . . A 117 ALA H . 34003 1 286 . 1 1 28 28 ALA HA H 1 4.266 0.000 . . . . . A 117 ALA HA . 34003 1 287 . 1 1 28 28 ALA HB1 H 1 1.368 0.000 . . . . . A 117 ALA HB1 . 34003 1 288 . 1 1 28 28 ALA HB2 H 1 1.368 0.000 . . . . . A 117 ALA HB2 . 34003 1 289 . 1 1 28 28 ALA HB3 H 1 1.368 0.000 . . . . . A 117 ALA HB3 . 34003 1 290 . 1 1 28 28 ALA CA C 13 52.351 0.000 . . . . . A 117 ALA CA . 34003 1 291 . 1 1 28 28 ALA CB C 13 19.208 0.000 . . . . . A 117 ALA CB . 34003 1 292 . 1 1 28 28 ALA N N 15 123.298 0.000 . . . . . A 117 ALA N . 34003 1 293 . 1 1 29 29 ALA H H 1 8.223 0.000 . . . . . A 118 ALA H . 34003 1 294 . 1 1 29 29 ALA HA H 1 4.272 0.000 . . . . . A 118 ALA HA . 34003 1 295 . 1 1 29 29 ALA HB1 H 1 1.359 0.000 . . . . . A 118 ALA HB1 . 34003 1 296 . 1 1 29 29 ALA HB2 H 1 1.359 0.000 . . . . . A 118 ALA HB2 . 34003 1 297 . 1 1 29 29 ALA HB3 H 1 1.359 0.000 . . . . . A 118 ALA HB3 . 34003 1 298 . 1 1 29 29 ALA CA C 13 52.535 0.000 . . . . . A 118 ALA CA . 34003 1 299 . 1 1 29 29 ALA CB C 13 19.250 0.000 . . . . . A 118 ALA CB . 34003 1 300 . 1 1 29 29 ALA N N 15 123.333 0.000 . . . . . A 118 ALA N . 34003 1 301 . 1 1 30 30 GLY H H 1 8.279 0.000 . . . . . A 119 GLY H . 34003 1 302 . 1 1 30 30 GLY HA2 H 1 4.024 0.000 . . . . . A 119 GLY HA2 . 34003 1 303 . 1 1 30 30 GLY HA3 H 1 3.740 0.000 . . . . . A 119 GLY HA3 . 34003 1 304 . 1 1 30 30 GLY CA C 13 44.983 0.014 . . . . . A 119 GLY CA . 34003 1 305 . 1 1 30 30 GLY N N 15 107.947 0.000 . . . . . A 119 GLY N . 34003 1 306 . 1 1 31 31 ALA H H 1 8.150 0.000 . . . . . A 120 ALA H . 34003 1 307 . 1 1 31 31 ALA HA H 1 4.341 0.000 . . . . . A 120 ALA HA . 34003 1 308 . 1 1 31 31 ALA HB1 H 1 1.343 0.000 . . . . . A 120 ALA HB1 . 34003 1 309 . 1 1 31 31 ALA HB2 H 1 1.343 0.000 . . . . . A 120 ALA HB2 . 34003 1 310 . 1 1 31 31 ALA HB3 H 1 1.343 0.000 . . . . . A 120 ALA HB3 . 34003 1 311 . 1 1 31 31 ALA CA C 13 52.199 0.000 . . . . . A 120 ALA CA . 34003 1 312 . 1 1 31 31 ALA CB C 13 19.441 0.000 . . . . . A 120 ALA CB . 34003 1 313 . 1 1 31 31 ALA N N 15 123.876 0.000 . . . . . A 120 ALA N . 34003 1 314 . 1 1 32 32 VAL H H 1 8.121 0.000 . . . . . A 121 VAL H . 34003 1 315 . 1 1 32 32 VAL HA H 1 4.116 0.000 . . . . . A 121 VAL HA . 34003 1 316 . 1 1 32 32 VAL HB H 1 2.009 0.000 . . . . . A 121 VAL HB . 34003 1 317 . 1 1 32 32 VAL HG11 H 1 0.852 0.000 . . . . . A 121 VAL HG11 . 34003 1 318 . 1 1 32 32 VAL HG12 H 1 0.852 0.000 . . . . . A 121 VAL HG12 . 34003 1 319 . 1 1 32 32 VAL HG13 H 1 0.852 0.000 . . . . . A 121 VAL HG13 . 34003 1 320 . 1 1 32 32 VAL HG21 H 1 0.894 0.000 . . . . . A 121 VAL HG21 . 34003 1 321 . 1 1 32 32 VAL HG22 H 1 0.894 0.000 . . . . . A 121 VAL HG22 . 34003 1 322 . 1 1 32 32 VAL HG23 H 1 0.894 0.000 . . . . . A 121 VAL HG23 . 34003 1 323 . 1 1 32 32 VAL CA C 13 62.108 0.000 . . . . . A 121 VAL CA . 34003 1 324 . 1 1 32 32 VAL CB C 13 32.612 0.000 . . . . . A 121 VAL CB . 34003 1 325 . 1 1 32 32 VAL CG1 C 13 21.165 0.000 . . . . . A 121 VAL CG1 . 34003 1 326 . 1 1 32 32 VAL CG2 C 13 20.603 0.000 . . . . . A 121 VAL CG2 . 34003 1 327 . 1 1 32 32 VAL N N 15 119.697 0.000 . . . . . A 121 VAL N . 34003 1 328 . 1 1 33 33 VAL H H 1 8.271 0.000 . . . . . A 122 VAL H . 34003 1 329 . 1 1 33 33 VAL HA H 1 4.075 0.000 . . . . . A 122 VAL HA . 34003 1 330 . 1 1 33 33 VAL HB H 1 2.009 0.000 . . . . . A 122 VAL HB . 34003 1 331 . 1 1 33 33 VAL HG11 H 1 0.895 0.000 . . . . . A 122 VAL HG11 . 34003 1 332 . 1 1 33 33 VAL HG12 H 1 0.895 0.000 . . . . . A 122 VAL HG12 . 34003 1 333 . 1 1 33 33 VAL HG13 H 1 0.895 0.000 . . . . . A 122 VAL HG13 . 34003 1 334 . 1 1 33 33 VAL HG21 H 1 0.852 0.000 . . . . . A 122 VAL HG21 . 34003 1 335 . 1 1 33 33 VAL HG22 H 1 0.852 0.000 . . . . . A 122 VAL HG22 . 34003 1 336 . 1 1 33 33 VAL HG23 H 1 0.852 0.000 . . . . . A 122 VAL HG23 . 34003 1 337 . 1 1 33 33 VAL CA C 13 62.405 0.000 . . . . . A 122 VAL CA . 34003 1 338 . 1 1 33 33 VAL CB C 13 32.676 0.000 . . . . . A 122 VAL CB . 34003 1 339 . 1 1 33 33 VAL CG1 C 13 20.619 0.000 . . . . . A 122 VAL CG1 . 34003 1 340 . 1 1 33 33 VAL CG2 C 13 21.177 0.000 . . . . . A 122 VAL CG2 . 34003 1 341 . 1 1 33 33 VAL N N 15 124.763 0.000 . . . . . A 122 VAL N . 34003 1 342 . 1 1 34 34 GLY H H 1 8.532 0.000 . . . . . A 123 GLY H . 34003 1 343 . 1 1 34 34 GLY HA2 H 1 3.920 0.000 . . . . . A 123 GLY HA2 . 34003 1 344 . 1 1 34 34 GLY HA3 H 1 3.918 0.000 . . . . . A 123 GLY HA3 . 34003 1 345 . 1 1 34 34 GLY CA C 13 45.145 0.019 . . . . . A 123 GLY CA . 34003 1 346 . 1 1 34 34 GLY N N 15 113.187 0.000 . . . . . A 123 GLY N . 34003 1 347 . 1 1 35 35 GLY H H 1 8.252 0.000 . . . . . A 124 GLY H . 34003 1 348 . 1 1 35 35 GLY HA2 H 1 3.917 0.000 . . . . . A 124 GLY HA2 . 34003 1 349 . 1 1 35 35 GLY HA3 H 1 3.912 0.000 . . . . . A 124 GLY HA3 . 34003 1 350 . 1 1 35 35 GLY CA C 13 45.120 0.008 . . . . . A 124 GLY CA . 34003 1 351 . 1 1 35 35 GLY N N 15 108.430 0.000 . . . . . A 124 GLY N . 34003 1 352 . 1 1 36 36 LEU H H 1 8.240 0.000 . . . . . A 125 LEU H . 34003 1 353 . 1 1 36 36 LEU HA H 1 4.336 0.000 . . . . . A 125 LEU HA . 34003 1 354 . 1 1 36 36 LEU HB2 H 1 1.594 0.000 . . . . . A 125 LEU HB2 . 34003 1 355 . 1 1 36 36 LEU HB3 H 1 1.515 0.000 . . . . . A 125 LEU HB3 . 34003 1 356 . 1 1 36 36 LEU HG H 1 1.458 0.000 . . . . . A 125 LEU HG . 34003 1 357 . 1 1 36 36 LEU HD11 H 1 0.626 0.000 . . . . . A 125 LEU HD11 . 34003 1 358 . 1 1 36 36 LEU HD12 H 1 0.626 0.000 . . . . . A 125 LEU HD12 . 34003 1 359 . 1 1 36 36 LEU HD13 H 1 0.626 0.000 . . . . . A 125 LEU HD13 . 34003 1 360 . 1 1 36 36 LEU HD21 H 1 0.512 0.000 . . . . . A 125 LEU HD21 . 34003 1 361 . 1 1 36 36 LEU HD22 H 1 0.512 0.000 . . . . . A 125 LEU HD22 . 34003 1 362 . 1 1 36 36 LEU HD23 H 1 0.512 0.000 . . . . . A 125 LEU HD23 . 34003 1 363 . 1 1 36 36 LEU CA C 13 54.755 0.000 . . . . . A 125 LEU CA . 34003 1 364 . 1 1 36 36 LEU CB C 13 42.431 0.015 . . . . . A 125 LEU CB . 34003 1 365 . 1 1 36 36 LEU CG C 13 26.854 0.000 . . . . . A 125 LEU CG . 34003 1 366 . 1 1 36 36 LEU CD1 C 13 24.596 0.000 . . . . . A 125 LEU CD1 . 34003 1 367 . 1 1 36 36 LEU CD2 C 13 23.406 0.000 . . . . . A 125 LEU CD2 . 34003 1 368 . 1 1 36 36 LEU N N 15 121.689 0.000 . . . . . A 125 LEU N . 34003 1 369 . 1 1 37 37 GLY H H 1 8.502 0.000 . . . . . A 126 GLY H . 34003 1 370 . 1 1 37 37 GLY HA2 H 1 3.914 0.000 . . . . . A 126 GLY HA2 . 34003 1 371 . 1 1 37 37 GLY HA3 H 1 3.828 0.000 . . . . . A 126 GLY HA3 . 34003 1 372 . 1 1 37 37 GLY CA C 13 46.120 0.000 . . . . . A 126 GLY CA . 34003 1 373 . 1 1 37 37 GLY N N 15 109.777 0.000 . . . . . A 126 GLY N . 34003 1 374 . 1 1 38 38 GLY H H 1 8.357 0.000 . . . . . A 127 GLY H . 34003 1 375 . 1 1 38 38 GLY HA2 H 1 3.775 0.000 . . . . . A 127 GLY HA2 . 34003 1 376 . 1 1 38 38 GLY HA3 H 1 3.921 0.000 . . . . . A 127 GLY HA3 . 34003 1 377 . 1 1 38 38 GLY CA C 13 45.136 0.024 . . . . . A 127 GLY CA . 34003 1 378 . 1 1 38 38 GLY N N 15 109.354 0.000 . . . . . A 127 GLY N . 34003 1 379 . 1 1 39 39 TYR H H 1 7.721 0.000 . . . . . A 128 TYR H . 34003 1 380 . 1 1 39 39 TYR HA H 1 4.493 0.000 . . . . . A 128 TYR HA . 34003 1 381 . 1 1 39 39 TYR HB2 H 1 2.824 0.000 . . . . . A 128 TYR HB2 . 34003 1 382 . 1 1 39 39 TYR HB3 H 1 2.821 0.000 . . . . . A 128 TYR HB3 . 34003 1 383 . 1 1 39 39 TYR HD1 H 1 6.775 0.000 . . . . . A 128 TYR HD1 . 34003 1 384 . 1 1 39 39 TYR HD2 H 1 6.775 0.000 . . . . . A 128 TYR HD2 . 34003 1 385 . 1 1 39 39 TYR HE1 H 1 6.646 0.000 . . . . . A 128 TYR HE1 . 34003 1 386 . 1 1 39 39 TYR HE2 H 1 6.649 0.000 . . . . . A 128 TYR HE2 . 34003 1 387 . 1 1 39 39 TYR CA C 13 57.500 0.000 . . . . . A 128 TYR CA . 34003 1 388 . 1 1 39 39 TYR CB C 13 40.269 0.002 . . . . . A 128 TYR CB . 34003 1 389 . 1 1 39 39 TYR CD1 C 13 132.778 0.000 . . . . . A 128 TYR CD1 . 34003 1 390 . 1 1 39 39 TYR CD2 C 13 132.778 0.000 . . . . . A 128 TYR CD2 . 34003 1 391 . 1 1 39 39 TYR CE1 C 13 118.291 0.000 . . . . . A 128 TYR CE1 . 34003 1 392 . 1 1 39 39 TYR CE2 C 13 118.306 0.000 . . . . . A 128 TYR CE2 . 34003 1 393 . 1 1 39 39 TYR N N 15 117.586 0.000 . . . . . A 128 TYR N . 34003 1 394 . 1 1 40 40 MET H H 1 8.983 0.000 . . . . . A 129 MET H . 34003 1 395 . 1 1 40 40 MET HA H 1 4.508 0.000 . . . . . A 129 MET HA . 34003 1 396 . 1 1 40 40 MET HB2 H 1 1.571 0.000 . . . . . A 129 MET HB2 . 34003 1 397 . 1 1 40 40 MET HB3 H 1 0.904 0.000 . . . . . A 129 MET HB3 . 34003 1 398 . 1 1 40 40 MET HG2 H 1 2.216 0.000 . . . . . A 129 MET HG2 . 34003 1 399 . 1 1 40 40 MET HG3 H 1 2.213 0.000 . . . . . A 129 MET HG3 . 34003 1 400 . 1 1 40 40 MET HE1 H 1 1.557 0.000 . . . . . A 129 MET HE1 . 34003 1 401 . 1 1 40 40 MET HE2 H 1 1.557 0.000 . . . . . A 129 MET HE2 . 34003 1 402 . 1 1 40 40 MET HE3 H 1 1.557 0.000 . . . . . A 129 MET HE3 . 34003 1 403 . 1 1 40 40 MET CA C 13 53.477 0.000 . . . . . A 129 MET CA . 34003 1 404 . 1 1 40 40 MET CB C 13 34.663 0.002 . . . . . A 129 MET CB . 34003 1 405 . 1 1 40 40 MET CG C 13 32.184 0.008 . . . . . A 129 MET CG . 34003 1 406 . 1 1 40 40 MET CE C 13 17.124 0.000 . . . . . A 129 MET CE . 34003 1 407 . 1 1 40 40 MET N N 15 120.835 0.000 . . . . . A 129 MET N . 34003 1 408 . 1 1 41 41 LEU H H 1 8.046 0.000 . . . . . A 130 LEU H . 34003 1 409 . 1 1 41 41 LEU HA H 1 4.485 0.000 . . . . . A 130 LEU HA . 34003 1 410 . 1 1 41 41 LEU HB2 H 1 1.593 0.000 . . . . . A 130 LEU HB2 . 34003 1 411 . 1 1 41 41 LEU HB3 H 1 0.974 0.000 . . . . . A 130 LEU HB3 . 34003 1 412 . 1 1 41 41 LEU HG H 1 1.370 0.000 . . . . . A 130 LEU HG . 34003 1 413 . 1 1 41 41 LEU HD11 H 1 0.601 0.000 . . . . . A 130 LEU HD11 . 34003 1 414 . 1 1 41 41 LEU HD12 H 1 0.601 0.000 . . . . . A 130 LEU HD12 . 34003 1 415 . 1 1 41 41 LEU HD13 H 1 0.601 0.000 . . . . . A 130 LEU HD13 . 34003 1 416 . 1 1 41 41 LEU HD21 H 1 -0.018 0.000 . . . . . A 130 LEU HD21 . 34003 1 417 . 1 1 41 41 LEU HD22 H 1 -0.018 0.000 . . . . . A 130 LEU HD22 . 34003 1 418 . 1 1 41 41 LEU HD23 H 1 -0.018 0.000 . . . . . A 130 LEU HD23 . 34003 1 419 . 1 1 41 41 LEU CA C 13 53.376 0.000 . . . . . A 130 LEU CA . 34003 1 420 . 1 1 41 41 LEU CB C 13 43.579 0.000 . . . . . A 130 LEU CB . 34003 1 421 . 1 1 41 41 LEU CG C 13 25.991 0.000 . . . . . A 130 LEU CG . 34003 1 422 . 1 1 41 41 LEU CD1 C 13 25.680 0.000 . . . . . A 130 LEU CD1 . 34003 1 423 . 1 1 41 41 LEU CD2 C 13 21.634 0.000 . . . . . A 130 LEU CD2 . 34003 1 424 . 1 1 41 41 LEU N N 15 121.438 0.000 . . . . . A 130 LEU N . 34003 1 425 . 1 1 42 42 GLY H H 1 9.357 0.000 . . . . . A 131 GLY H . 34003 1 426 . 1 1 42 42 GLY HA2 H 1 4.404 0.000 . . . . . A 131 GLY HA2 . 34003 1 427 . 1 1 42 42 GLY HA3 H 1 3.978 0.000 . . . . . A 131 GLY HA3 . 34003 1 428 . 1 1 42 42 GLY CA C 13 44.680 0.002 . . . . . A 131 GLY CA . 34003 1 429 . 1 1 42 42 GLY N N 15 115.014 0.000 . . . . . A 131 GLY N . 34003 1 430 . 1 1 43 43 SER H H 1 8.375 0.000 . . . . . A 132 SER H . 34003 1 431 . 1 1 43 43 SER HA H 1 4.401 0.000 . . . . . A 132 SER HA . 34003 1 432 . 1 1 43 43 SER HB2 H 1 3.895 0.000 . . . . . A 132 SER HB2 . 34003 1 433 . 1 1 43 43 SER HB3 H 1 3.961 0.000 . . . . . A 132 SER HB3 . 34003 1 434 . 1 1 43 43 SER CA C 13 58.380 0.000 . . . . . A 132 SER CA . 34003 1 435 . 1 1 43 43 SER CB C 13 63.949 0.016 . . . . . A 132 SER CB . 34003 1 436 . 1 1 43 43 SER N N 15 113.637 0.000 . . . . . A 132 SER N . 34003 1 437 . 1 1 44 44 ALA H H 1 8.758 0.000 . . . . . A 133 ALA H . 34003 1 438 . 1 1 44 44 ALA HA H 1 4.432 0.000 . . . . . A 133 ALA HA . 34003 1 439 . 1 1 44 44 ALA HB1 H 1 1.274 0.000 . . . . . A 133 ALA HB1 . 34003 1 440 . 1 1 44 44 ALA HB2 H 1 1.274 0.000 . . . . . A 133 ALA HB2 . 34003 1 441 . 1 1 44 44 ALA HB3 H 1 1.274 0.000 . . . . . A 133 ALA HB3 . 34003 1 442 . 1 1 44 44 ALA CA C 13 52.978 0.000 . . . . . A 133 ALA CA . 34003 1 443 . 1 1 44 44 ALA CB C 13 18.414 0.000 . . . . . A 133 ALA CB . 34003 1 444 . 1 1 44 44 ALA N N 15 125.531 0.000 . . . . . A 133 ALA N . 34003 1 445 . 1 1 45 45 MET H H 1 8.707 0.000 . . . . . A 134 MET H . 34003 1 446 . 1 1 45 45 MET HA H 1 4.808 0.000 . . . . . A 134 MET HA . 34003 1 447 . 1 1 45 45 MET HB2 H 1 1.977 0.000 . . . . . A 134 MET HB2 . 34003 1 448 . 1 1 45 45 MET HB3 H 1 2.027 0.000 . . . . . A 134 MET HB3 . 34003 1 449 . 1 1 45 45 MET HG2 H 1 2.418 0.000 . . . . . A 134 MET HG2 . 34003 1 450 . 1 1 45 45 MET HG3 H 1 2.468 0.000 . . . . . A 134 MET HG3 . 34003 1 451 . 1 1 45 45 MET HE1 H 1 2.077 0.000 . . . . . A 134 MET HE1 . 34003 1 452 . 1 1 45 45 MET HE2 H 1 2.077 0.000 . . . . . A 134 MET HE2 . 34003 1 453 . 1 1 45 45 MET HE3 H 1 2.077 0.000 . . . . . A 134 MET HE3 . 34003 1 454 . 1 1 45 45 MET CA C 13 54.092 0.000 . . . . . A 134 MET CA . 34003 1 455 . 1 1 45 45 MET CB C 13 36.719 0.019 . . . . . A 134 MET CB . 34003 1 456 . 1 1 45 45 MET CG C 13 31.144 0.004 . . . . . A 134 MET CG . 34003 1 457 . 1 1 45 45 MET CE C 13 16.894 0.000 . . . . . A 134 MET CE . 34003 1 458 . 1 1 45 45 MET N N 15 120.794 0.000 . . . . . A 134 MET N . 34003 1 459 . 1 1 46 46 SER H H 1 8.425 0.000 . . . . . A 135 SER H . 34003 1 460 . 1 1 46 46 SER HA H 1 4.366 0.000 . . . . . A 135 SER HA . 34003 1 461 . 1 1 46 46 SER HB2 H 1 3.731 0.000 . . . . . A 135 SER HB2 . 34003 1 462 . 1 1 46 46 SER HB3 H 1 3.810 0.000 . . . . . A 135 SER HB3 . 34003 1 463 . 1 1 46 46 SER CA C 13 58.392 0.000 . . . . . A 135 SER CA . 34003 1 464 . 1 1 46 46 SER CB C 13 62.963 0.001 . . . . . A 135 SER CB . 34003 1 465 . 1 1 46 46 SER N N 15 116.267 0.000 . . . . . A 135 SER N . 34003 1 466 . 1 1 47 47 ARG H H 1 8.638 0.000 . . . . . A 136 ARG H . 34003 1 467 . 1 1 47 47 ARG HA H 1 4.338 0.000 . . . . . A 136 ARG HA . 34003 1 468 . 1 1 47 47 ARG HB2 H 1 1.727 0.000 . . . . . A 136 ARG HB2 . 34003 1 469 . 1 1 47 47 ARG HB3 H 1 1.785 0.000 . . . . . A 136 ARG HB3 . 34003 1 470 . 1 1 47 47 ARG CA C 13 54.812 0.000 . . . . . A 136 ARG CA . 34003 1 471 . 1 1 47 47 ARG CB C 13 29.454 0.011 . . . . . A 136 ARG CB . 34003 1 472 . 1 1 47 47 ARG N N 15 126.511 0.000 . . . . . A 136 ARG N . 34003 1 473 . 1 1 49 49 ILE H H 1 8.632 0.000 . . . . . A 138 ILE H . 34003 1 474 . 1 1 49 49 ILE HA H 1 4.147 0.000 . . . . . A 138 ILE HA . 34003 1 475 . 1 1 49 49 ILE HB H 1 1.903 0.000 . . . . . A 138 ILE HB . 34003 1 476 . 1 1 49 49 ILE HG12 H 1 1.378 0.000 . . . . . A 138 ILE HG12 . 34003 1 477 . 1 1 49 49 ILE HG13 H 1 1.581 0.000 . . . . . A 138 ILE HG13 . 34003 1 478 . 1 1 49 49 ILE HG21 H 1 0.732 0.000 . . . . . A 138 ILE HG21 . 34003 1 479 . 1 1 49 49 ILE HG22 H 1 0.732 0.000 . . . . . A 138 ILE HG22 . 34003 1 480 . 1 1 49 49 ILE HG23 H 1 0.732 0.000 . . . . . A 138 ILE HG23 . 34003 1 481 . 1 1 49 49 ILE HD11 H 1 0.893 0.000 . . . . . A 138 ILE HD11 . 34003 1 482 . 1 1 49 49 ILE HD12 H 1 0.893 0.000 . . . . . A 138 ILE HD12 . 34003 1 483 . 1 1 49 49 ILE HD13 H 1 0.893 0.000 . . . . . A 138 ILE HD13 . 34003 1 484 . 1 1 49 49 ILE CA C 13 60.842 0.000 . . . . . A 138 ILE CA . 34003 1 485 . 1 1 49 49 ILE CB C 13 36.085 0.000 . . . . . A 138 ILE CB . 34003 1 486 . 1 1 49 49 ILE CG1 C 13 27.181 0.010 . . . . . A 138 ILE CG1 . 34003 1 487 . 1 1 49 49 ILE CG2 C 13 17.393 0.000 . . . . . A 138 ILE CG2 . 34003 1 488 . 1 1 49 49 ILE CD1 C 13 11.280 0.000 . . . . . A 138 ILE CD1 . 34003 1 489 . 1 1 49 49 ILE N N 15 122.531 0.000 . . . . . A 138 ILE N . 34003 1 490 . 1 1 50 50 ILE H H 1 6.464 0.000 . . . . . A 139 ILE H . 34003 1 491 . 1 1 50 50 ILE HA H 1 3.917 0.000 . . . . . A 139 ILE HA . 34003 1 492 . 1 1 50 50 ILE HB H 1 0.878 0.000 . . . . . A 139 ILE HB . 34003 1 493 . 1 1 50 50 ILE HG12 H 1 0.770 0.000 . . . . . A 139 ILE HG12 . 34003 1 494 . 1 1 50 50 ILE HG13 H 1 0.887 0.000 . . . . . A 139 ILE HG13 . 34003 1 495 . 1 1 50 50 ILE HG21 H 1 -0.036 0.000 . . . . . A 139 ILE HG21 . 34003 1 496 . 1 1 50 50 ILE HG22 H 1 -0.036 0.000 . . . . . A 139 ILE HG22 . 34003 1 497 . 1 1 50 50 ILE HG23 H 1 -0.036 0.000 . . . . . A 139 ILE HG23 . 34003 1 498 . 1 1 50 50 ILE HD11 H 1 0.463 0.000 . . . . . A 139 ILE HD11 . 34003 1 499 . 1 1 50 50 ILE HD12 H 1 0.463 0.000 . . . . . A 139 ILE HD12 . 34003 1 500 . 1 1 50 50 ILE HD13 H 1 0.463 0.000 . . . . . A 139 ILE HD13 . 34003 1 501 . 1 1 50 50 ILE CA C 13 58.650 0.000 . . . . . A 139 ILE CA . 34003 1 502 . 1 1 50 50 ILE CB C 13 39.300 0.000 . . . . . A 139 ILE CB . 34003 1 503 . 1 1 50 50 ILE CG1 C 13 26.582 0.003 . . . . . A 139 ILE CG1 . 34003 1 504 . 1 1 50 50 ILE CG2 C 13 17.181 0.000 . . . . . A 139 ILE CG2 . 34003 1 505 . 1 1 50 50 ILE CD1 C 13 12.500 0.000 . . . . . A 139 ILE CD1 . 34003 1 506 . 1 1 50 50 ILE N N 15 126.751 0.000 . . . . . A 139 ILE N . 34003 1 507 . 1 1 51 51 HIS H H 1 8.235 0.000 . . . . . A 140 HIS H . 34003 1 508 . 1 1 51 51 HIS HA H 1 4.912 0.000 . . . . . A 140 HIS HA . 34003 1 509 . 1 1 51 51 HIS HB2 H 1 3.288 0.000 . . . . . A 140 HIS HB2 . 34003 1 510 . 1 1 51 51 HIS HB3 H 1 2.943 0.000 . . . . . A 140 HIS HB3 . 34003 1 511 . 1 1 51 51 HIS HD2 H 1 7.218 0.000 . . . . . A 140 HIS HD2 . 34003 1 512 . 1 1 51 51 HIS CA C 13 54.043 0.000 . . . . . A 140 HIS CA . 34003 1 513 . 1 1 51 51 HIS CB C 13 29.406 0.007 . . . . . A 140 HIS CB . 34003 1 514 . 1 1 51 51 HIS CD2 C 13 120.146 0.000 . . . . . A 140 HIS CD2 . 34003 1 515 . 1 1 51 51 HIS N N 15 121.974 0.000 . . . . . A 140 HIS N . 34003 1 516 . 1 1 52 52 PHE H H 1 10.182 0.000 . . . . . A 141 PHE H . 34003 1 517 . 1 1 52 52 PHE HA H 1 4.349 0.000 . . . . . A 141 PHE HA . 34003 1 518 . 1 1 52 52 PHE HB2 H 1 3.327 0.000 . . . . . A 141 PHE HB2 . 34003 1 519 . 1 1 52 52 PHE HB3 H 1 2.805 0.000 . . . . . A 141 PHE HB3 . 34003 1 520 . 1 1 52 52 PHE HD1 H 1 6.860 0.000 . . . . . A 141 PHE HD1 . 34003 1 521 . 1 1 52 52 PHE HD2 H 1 6.868 0.000 . . . . . A 141 PHE HD2 . 34003 1 522 . 1 1 52 52 PHE HE1 H 1 7.310 0.000 . . . . . A 141 PHE HE1 . 34003 1 523 . 1 1 52 52 PHE HE2 H 1 7.309 0.000 . . . . . A 141 PHE HE2 . 34003 1 524 . 1 1 52 52 PHE HZ H 1 6.681 0.000 . . . . . A 141 PHE HZ . 34003 1 525 . 1 1 52 52 PHE CA C 13 59.262 0.000 . . . . . A 141 PHE CA . 34003 1 526 . 1 1 52 52 PHE CB C 13 41.395 0.026 . . . . . A 141 PHE CB . 34003 1 527 . 1 1 52 52 PHE CD1 C 13 131.208 0.000 . . . . . A 141 PHE CD1 . 34003 1 528 . 1 1 52 52 PHE CD2 C 13 131.192 0.000 . . . . . A 141 PHE CD2 . 34003 1 529 . 1 1 52 52 PHE CE1 C 13 131.984 0.000 . . . . . A 141 PHE CE1 . 34003 1 530 . 1 1 52 52 PHE CE2 C 13 131.942 0.000 . . . . . A 141 PHE CE2 . 34003 1 531 . 1 1 52 52 PHE CZ C 13 129.245 0.000 . . . . . A 141 PHE CZ . 34003 1 532 . 1 1 52 52 PHE N N 15 124.128 0.000 . . . . . A 141 PHE N . 34003 1 533 . 1 1 53 53 GLY H H 1 8.992 0.000 . . . . . A 142 GLY H . 34003 1 534 . 1 1 53 53 GLY HA2 H 1 4.141 0.000 . . . . . A 142 GLY HA2 . 34003 1 535 . 1 1 53 53 GLY HA3 H 1 3.805 0.000 . . . . . A 142 GLY HA3 . 34003 1 536 . 1 1 53 53 GLY CA C 13 45.497 0.006 . . . . . A 142 GLY CA . 34003 1 537 . 1 1 53 53 GLY N N 15 108.454 0.000 . . . . . A 142 GLY N . 34003 1 538 . 1 1 54 54 SER H H 1 7.312 0.000 . . . . . A 143 SER H . 34003 1 539 . 1 1 54 54 SER HA H 1 4.773 0.000 . . . . . A 143 SER HA . 34003 1 540 . 1 1 54 54 SER HB2 H 1 4.114 0.000 . . . . . A 143 SER HB2 . 34003 1 541 . 1 1 54 54 SER HB3 H 1 3.914 0.000 . . . . . A 143 SER HB3 . 34003 1 542 . 1 1 54 54 SER CA C 13 56.622 0.000 . . . . . A 143 SER CA . 34003 1 543 . 1 1 54 54 SER CB C 13 65.940 0.016 . . . . . A 143 SER CB . 34003 1 544 . 1 1 54 54 SER N N 15 111.773 0.000 . . . . . A 143 SER N . 34003 1 545 . 1 1 55 55 ASP H H 1 9.034 0.000 . . . . . A 144 ASP H . 34003 1 546 . 1 1 55 55 ASP HA H 1 4.500 0.000 . . . . . A 144 ASP HA . 34003 1 547 . 1 1 55 55 ASP HB2 H 1 2.742 0.000 . . . . . A 144 ASP HB2 . 34003 1 548 . 1 1 55 55 ASP HB3 H 1 2.742 0.000 . . . . . A 144 ASP HB3 . 34003 1 549 . 1 1 55 55 ASP CA C 13 57.444 0.000 . . . . . A 144 ASP CA . 34003 1 550 . 1 1 55 55 ASP CB C 13 40.663 0.000 . . . . . A 144 ASP CB . 34003 1 551 . 1 1 55 55 ASP N N 15 124.465 0.000 . . . . . A 144 ASP N . 34003 1 552 . 1 1 56 56 TYR H H 1 8.561 0.000 . . . . . A 145 TYR H . 34003 1 553 . 1 1 56 56 TYR HA H 1 4.189 0.000 . . . . . A 145 TYR HA . 34003 1 554 . 1 1 56 56 TYR HB2 H 1 2.838 0.000 . . . . . A 145 TYR HB2 . 34003 1 555 . 1 1 56 56 TYR HB3 H 1 2.843 0.000 . . . . . A 145 TYR HB3 . 34003 1 556 . 1 1 56 56 TYR HD1 H 1 7.038 0.000 . . . . . A 145 TYR HD1 . 34003 1 557 . 1 1 56 56 TYR HD2 H 1 7.038 0.000 . . . . . A 145 TYR HD2 . 34003 1 558 . 1 1 56 56 TYR HE1 H 1 6.830 0.000 . . . . . A 145 TYR HE1 . 34003 1 559 . 1 1 56 56 TYR HE2 H 1 6.830 0.000 . . . . . A 145 TYR HE2 . 34003 1 560 . 1 1 56 56 TYR CA C 13 61.378 0.000 . . . . . A 145 TYR CA . 34003 1 561 . 1 1 56 56 TYR CB C 13 37.977 0.002 . . . . . A 145 TYR CB . 34003 1 562 . 1 1 56 56 TYR CD1 C 13 133.331 0.000 . . . . . A 145 TYR CD1 . 34003 1 563 . 1 1 56 56 TYR CD2 C 13 133.313 0.000 . . . . . A 145 TYR CD2 . 34003 1 564 . 1 1 56 56 TYR CE1 C 13 118.521 0.000 . . . . . A 145 TYR CE1 . 34003 1 565 . 1 1 56 56 TYR CE2 C 13 118.521 0.000 . . . . . A 145 TYR CE2 . 34003 1 566 . 1 1 56 56 TYR N N 15 118.936 0.000 . . . . . A 145 TYR N . 34003 1 567 . 1 1 57 57 GLU H H 1 7.722 0.000 . . . . . A 146 GLU H . 34003 1 568 . 1 1 57 57 GLU HA H 1 3.558 0.000 . . . . . A 146 GLU HA . 34003 1 569 . 1 1 57 57 GLU HB2 H 1 1.551 0.000 . . . . . A 146 GLU HB2 . 34003 1 570 . 1 1 57 57 GLU HB3 H 1 1.972 0.000 . . . . . A 146 GLU HB3 . 34003 1 571 . 1 1 57 57 GLU HG2 H 1 2.233 0.000 . . . . . A 146 GLU HG2 . 34003 1 572 . 1 1 57 57 GLU HG3 H 1 1.885 0.000 . . . . . A 146 GLU HG3 . 34003 1 573 . 1 1 57 57 GLU CA C 13 59.916 0.000 . . . . . A 146 GLU CA . 34003 1 574 . 1 1 57 57 GLU CB C 13 30.172 0.003 . . . . . A 146 GLU CB . 34003 1 575 . 1 1 57 57 GLU CG C 13 38.084 0.004 . . . . . A 146 GLU CG . 34003 1 576 . 1 1 57 57 GLU N N 15 118.929 0.000 . . . . . A 146 GLU N . 34003 1 577 . 1 1 58 58 ASP H H 1 8.184 0.000 . . . . . A 147 ASP H . 34003 1 578 . 1 1 58 58 ASP HA H 1 4.653 0.000 . . . . . A 147 ASP HA . 34003 1 579 . 1 1 58 58 ASP HB2 H 1 3.013 0.000 . . . . . A 147 ASP HB2 . 34003 1 580 . 1 1 58 58 ASP HB3 H 1 2.869 0.000 . . . . . A 147 ASP HB3 . 34003 1 581 . 1 1 58 58 ASP CA C 13 58.519 0.000 . . . . . A 147 ASP CA . 34003 1 582 . 1 1 58 58 ASP CB C 13 40.303 0.011 . . . . . A 147 ASP CB . 34003 1 583 . 1 1 58 58 ASP N N 15 119.730 0.000 . . . . . A 147 ASP N . 34003 1 584 . 1 1 59 59 ARG H H 1 8.208 0.000 . . . . . A 148 ARG H . 34003 1 585 . 1 1 59 59 ARG HA H 1 3.977 0.000 . . . . . A 148 ARG HA . 34003 1 586 . 1 1 59 59 ARG HB2 H 1 1.908 0.000 . . . . . A 148 ARG HB2 . 34003 1 587 . 1 1 59 59 ARG HB3 H 1 1.908 0.000 . . . . . A 148 ARG HB3 . 34003 1 588 . 1 1 59 59 ARG HG2 H 1 1.731 0.000 . . . . . A 148 ARG HG2 . 34003 1 589 . 1 1 59 59 ARG HG3 H 1 1.521 0.000 . . . . . A 148 ARG HG3 . 34003 1 590 . 1 1 59 59 ARG HD2 H 1 3.190 0.000 . . . . . A 148 ARG HD2 . 34003 1 591 . 1 1 59 59 ARG HD3 H 1 3.212 0.000 . . . . . A 148 ARG HD3 . 34003 1 592 . 1 1 59 59 ARG CA C 13 59.347 0.000 . . . . . A 148 ARG CA . 34003 1 593 . 1 1 59 59 ARG CB C 13 29.850 0.000 . . . . . A 148 ARG CB . 34003 1 594 . 1 1 59 59 ARG CG C 13 27.765 0.018 . . . . . A 148 ARG CG . 34003 1 595 . 1 1 59 59 ARG CD C 13 43.459 0.003 . . . . . A 148 ARG CD . 34003 1 596 . 1 1 59 59 ARG N N 15 120.365 0.000 . . . . . A 148 ARG N . 34003 1 597 . 1 1 60 60 TYR H H 1 8.317 0.000 . . . . . A 149 TYR H . 34003 1 598 . 1 1 60 60 TYR HA H 1 3.814 0.000 . . . . . A 149 TYR HA . 34003 1 599 . 1 1 60 60 TYR HB2 H 1 2.839 0.000 . . . . . A 149 TYR HB2 . 34003 1 600 . 1 1 60 60 TYR HB3 H 1 2.599 0.000 . . . . . A 149 TYR HB3 . 34003 1 601 . 1 1 60 60 TYR HD1 H 1 6.916 0.000 . . . . . A 149 TYR HD1 . 34003 1 602 . 1 1 60 60 TYR HD2 H 1 6.916 0.000 . . . . . A 149 TYR HD2 . 34003 1 603 . 1 1 60 60 TYR CA C 13 62.175 0.000 . . . . . A 149 TYR CA . 34003 1 604 . 1 1 60 60 TYR CB C 13 38.063 0.032 . . . . . A 149 TYR CB . 34003 1 605 . 1 1 60 60 TYR CD1 C 13 133.433 0.000 . . . . . A 149 TYR CD1 . 34003 1 606 . 1 1 60 60 TYR CD2 C 13 133.424 0.000 . . . . . A 149 TYR CD2 . 34003 1 607 . 1 1 60 60 TYR N N 15 121.302 0.000 . . . . . A 149 TYR N . 34003 1 608 . 1 1 61 61 TYR H H 1 8.962 0.000 . . . . . A 150 TYR H . 34003 1 609 . 1 1 61 61 TYR HA H 1 4.119 0.000 . . . . . A 150 TYR HA . 34003 1 610 . 1 1 61 61 TYR HB2 H 1 3.246 0.000 . . . . . A 150 TYR HB2 . 34003 1 611 . 1 1 61 61 TYR HB3 H 1 3.553 0.000 . . . . . A 150 TYR HB3 . 34003 1 612 . 1 1 61 61 TYR HD1 H 1 7.530 0.000 . . . . . A 150 TYR HD1 . 34003 1 613 . 1 1 61 61 TYR HD2 H 1 7.530 0.000 . . . . . A 150 TYR HD2 . 34003 1 614 . 1 1 61 61 TYR HE1 H 1 6.985 0.000 . . . . . A 150 TYR HE1 . 34003 1 615 . 1 1 61 61 TYR HE2 H 1 6.985 0.000 . . . . . A 150 TYR HE2 . 34003 1 616 . 1 1 61 61 TYR CA C 13 62.980 0.000 . . . . . A 150 TYR CA . 34003 1 617 . 1 1 61 61 TYR CB C 13 38.173 0.090 . . . . . A 150 TYR CB . 34003 1 618 . 1 1 61 61 TYR CD1 C 13 133.526 0.000 . . . . . A 150 TYR CD1 . 34003 1 619 . 1 1 61 61 TYR CD2 C 13 133.511 0.000 . . . . . A 150 TYR CD2 . 34003 1 620 . 1 1 61 61 TYR CE1 C 13 118.230 0.000 . . . . . A 150 TYR CE1 . 34003 1 621 . 1 1 61 61 TYR CE2 C 13 118.230 0.000 . . . . . A 150 TYR CE2 . 34003 1 622 . 1 1 61 61 TYR N N 15 120.622 0.000 . . . . . A 150 TYR N . 34003 1 623 . 1 1 62 62 ARG H H 1 7.973 0.000 . . . . . A 151 ARG H . 34003 1 624 . 1 1 62 62 ARG HA H 1 3.934 0.000 . . . . . A 151 ARG HA . 34003 1 625 . 1 1 62 62 ARG HB2 H 1 1.884 0.000 . . . . . A 151 ARG HB2 . 34003 1 626 . 1 1 62 62 ARG HB3 H 1 2.067 0.000 . . . . . A 151 ARG HB3 . 34003 1 627 . 1 1 62 62 ARG HG2 H 1 1.740 0.000 . . . . . A 151 ARG HG2 . 34003 1 628 . 1 1 62 62 ARG HG3 H 1 2.028 0.000 . . . . . A 151 ARG HG3 . 34003 1 629 . 1 1 62 62 ARG HD2 H 1 3.276 0.000 . . . . . A 151 ARG HD2 . 34003 1 630 . 1 1 62 62 ARG HD3 H 1 3.370 0.000 . . . . . A 151 ARG HD3 . 34003 1 631 . 1 1 62 62 ARG CA C 13 59.924 0.000 . . . . . A 151 ARG CA . 34003 1 632 . 1 1 62 62 ARG CB C 13 29.955 0.009 . . . . . A 151 ARG CB . 34003 1 633 . 1 1 62 62 ARG CG C 13 28.219 0.029 . . . . . A 151 ARG CG . 34003 1 634 . 1 1 62 62 ARG CD C 13 43.303 0.001 . . . . . A 151 ARG CD . 34003 1 635 . 1 1 62 62 ARG N N 15 117.968 0.000 . . . . . A 151 ARG N . 34003 1 636 . 1 1 63 63 GLU H H 1 8.061 0.000 . . . . . A 152 GLU H . 34003 1 637 . 1 1 63 63 GLU HA H 1 4.053 0.000 . . . . . A 152 GLU HA . 34003 1 638 . 1 1 63 63 GLU HB2 H 1 1.861 0.000 . . . . . A 152 GLU HB2 . 34003 1 639 . 1 1 63 63 GLU HB3 H 1 1.863 0.000 . . . . . A 152 GLU HB3 . 34003 1 640 . 1 1 63 63 GLU HG2 H 1 2.432 0.000 . . . . . A 152 GLU HG2 . 34003 1 641 . 1 1 63 63 GLU HG3 H 1 2.196 0.000 . . . . . A 152 GLU HG3 . 34003 1 642 . 1 1 63 63 GLU CA C 13 57.890 0.000 . . . . . A 152 GLU CA . 34003 1 643 . 1 1 63 63 GLU CB C 13 29.980 0.004 . . . . . A 152 GLU CB . 34003 1 644 . 1 1 63 63 GLU CG C 13 36.558 0.044 . . . . . A 152 GLU CG . 34003 1 645 . 1 1 63 63 GLU N N 15 116.620 0.000 . . . . . A 152 GLU N . 34003 1 646 . 1 1 64 64 ASN H H 1 7.595 0.000 . . . . . A 153 ASN H . 34003 1 647 . 1 1 64 64 ASN HA H 1 4.336 0.000 . . . . . A 153 ASN HA . 34003 1 648 . 1 1 64 64 ASN HB2 H 1 2.154 0.000 . . . . . A 153 ASN HB2 . 34003 1 649 . 1 1 64 64 ASN HB3 H 1 2.154 0.000 . . . . . A 153 ASN HB3 . 34003 1 650 . 1 1 64 64 ASN HD21 H 1 6.566 0.000 . . . . . A 153 ASN HD21 . 34003 1 651 . 1 1 64 64 ASN HD22 H 1 6.723 0.000 . . . . . A 153 ASN HD22 . 34003 1 652 . 1 1 64 64 ASN CA C 13 54.842 0.000 . . . . . A 153 ASN CA . 34003 1 653 . 1 1 64 64 ASN CB C 13 41.173 0.000 . . . . . A 153 ASN CB . 34003 1 654 . 1 1 64 64 ASN N N 15 114.706 0.000 . . . . . A 153 ASN N . 34003 1 655 . 1 1 64 64 ASN ND2 N 15 117.085 0.000 . . . . . A 153 ASN ND2 . 34003 1 656 . 1 1 65 65 MET H H 1 8.092 0.000 . . . . . A 154 MET H . 34003 1 657 . 1 1 65 65 MET HA H 1 3.417 0.000 . . . . . A 154 MET HA . 34003 1 658 . 1 1 65 65 MET HB2 H 1 1.626 0.000 . . . . . A 154 MET HB2 . 34003 1 659 . 1 1 65 65 MET HB3 H 1 1.626 0.000 . . . . . A 154 MET HB3 . 34003 1 660 . 1 1 65 65 MET HG2 H 1 1.326 0.000 . . . . . A 154 MET HG2 . 34003 1 661 . 1 1 65 65 MET HG3 H 1 1.626 0.000 . . . . . A 154 MET HG3 . 34003 1 662 . 1 1 65 65 MET HE1 H 1 2.153 0.000 . . . . . A 154 MET HE1 . 34003 1 663 . 1 1 65 65 MET HE2 H 1 2.153 0.000 . . . . . A 154 MET HE2 . 34003 1 664 . 1 1 65 65 MET HE3 H 1 2.153 0.000 . . . . . A 154 MET HE3 . 34003 1 665 . 1 1 65 65 MET CA C 13 59.172 0.000 . . . . . A 154 MET CA . 34003 1 666 . 1 1 65 65 MET CB C 13 30.168 0.000 . . . . . A 154 MET CB . 34003 1 667 . 1 1 65 65 MET CG C 13 30.242 0.002 . . . . . A 154 MET CG . 34003 1 668 . 1 1 65 65 MET CE C 13 17.644 0.000 . . . . . A 154 MET CE . 34003 1 669 . 1 1 65 65 MET N N 15 119.646 0.000 . . . . . A 154 MET N . 34003 1 670 . 1 1 66 66 HIS H H 1 8.052 0.000 . . . . . A 155 HIS H . 34003 1 671 . 1 1 66 66 HIS HA H 1 4.217 0.000 . . . . . A 155 HIS HA . 34003 1 672 . 1 1 66 66 HIS HB2 H 1 3.243 0.000 . . . . . A 155 HIS HB2 . 34003 1 673 . 1 1 66 66 HIS HB3 H 1 2.981 0.000 . . . . . A 155 HIS HB3 . 34003 1 674 . 1 1 66 66 HIS HD2 H 1 7.180 0.000 . . . . . A 155 HIS HD2 . 34003 1 675 . 1 1 66 66 HIS HE1 H 1 8.424 0.000 . . . . . A 155 HIS HE1 . 34003 1 676 . 1 1 66 66 HIS CA C 13 57.626 0.000 . . . . . A 155 HIS CA . 34003 1 677 . 1 1 66 66 HIS CB C 13 28.081 0.021 . . . . . A 155 HIS CB . 34003 1 678 . 1 1 66 66 HIS CD2 C 13 119.873 0.000 . . . . . A 155 HIS CD2 . 34003 1 679 . 1 1 66 66 HIS CE1 C 13 136.714 0.000 . . . . . A 155 HIS CE1 . 34003 1 680 . 1 1 66 66 HIS N N 15 115.192 0.000 . . . . . A 155 HIS N . 34003 1 681 . 1 1 67 67 ARG H H 1 7.585 0.000 . . . . . A 156 ARG H . 34003 1 682 . 1 1 67 67 ARG HA H 1 4.123 0.000 . . . . . A 156 ARG HA . 34003 1 683 . 1 1 67 67 ARG HB2 H 1 2.157 0.000 . . . . . A 156 ARG HB2 . 34003 1 684 . 1 1 67 67 ARG HB3 H 1 1.366 0.000 . . . . . A 156 ARG HB3 . 34003 1 685 . 1 1 67 67 ARG HG2 H 1 1.361 0.000 . . . . . A 156 ARG HG2 . 34003 1 686 . 1 1 67 67 ARG HG3 H 1 0.242 0.000 . . . . . A 156 ARG HG3 . 34003 1 687 . 1 1 67 67 ARG HD2 H 1 3.244 0.000 . . . . . A 156 ARG HD2 . 34003 1 688 . 1 1 67 67 ARG HD3 H 1 3.088 0.000 . . . . . A 156 ARG HD3 . 34003 1 689 . 1 1 67 67 ARG CA C 13 56.132 0.000 . . . . . A 156 ARG CA . 34003 1 690 . 1 1 67 67 ARG CB C 13 30.449 0.026 . . . . . A 156 ARG CB . 34003 1 691 . 1 1 67 67 ARG CG C 13 27.207 0.030 . . . . . A 156 ARG CG . 34003 1 692 . 1 1 67 67 ARG CD C 13 44.050 0.006 . . . . . A 156 ARG CD . 34003 1 693 . 1 1 67 67 ARG N N 15 118.315 0.000 . . . . . A 156 ARG N . 34003 1 694 . 1 1 68 68 TYR H H 1 7.468 0.000 . . . . . A 157 TYR H . 34003 1 695 . 1 1 68 68 TYR HA H 1 4.987 0.000 . . . . . A 157 TYR HA . 34003 1 696 . 1 1 68 68 TYR HB2 H 1 3.094 0.000 . . . . . A 157 TYR HB2 . 34003 1 697 . 1 1 68 68 TYR HB3 H 1 3.094 0.000 . . . . . A 157 TYR HB3 . 34003 1 698 . 1 1 68 68 TYR HD1 H 1 6.862 0.000 . . . . . A 157 TYR HD1 . 34003 1 699 . 1 1 68 68 TYR HD2 H 1 6.860 0.000 . . . . . A 157 TYR HD2 . 34003 1 700 . 1 1 68 68 TYR HE1 H 1 6.531 0.000 . . . . . A 157 TYR HE1 . 34003 1 701 . 1 1 68 68 TYR HE2 H 1 6.531 0.000 . . . . . A 157 TYR HE2 . 34003 1 702 . 1 1 68 68 TYR CA C 13 52.676 0.000 . . . . . A 157 TYR CA . 34003 1 703 . 1 1 68 68 TYR CB C 13 34.851 0.000 . . . . . A 157 TYR CB . 34003 1 704 . 1 1 68 68 TYR CD1 C 13 131.164 0.000 . . . . . A 157 TYR CD1 . 34003 1 705 . 1 1 68 68 TYR CD2 C 13 131.226 0.000 . . . . . A 157 TYR CD2 . 34003 1 706 . 1 1 68 68 TYR CE1 C 13 117.252 0.000 . . . . . A 157 TYR CE1 . 34003 1 707 . 1 1 68 68 TYR CE2 C 13 117.253 0.000 . . . . . A 157 TYR CE2 . 34003 1 708 . 1 1 68 68 TYR N N 15 121.098 0.000 . . . . . A 157 TYR N . 34003 1 709 . 1 1 69 69 PRO HA H 1 4.325 0.000 . . . . . A 158 PRO HA . 34003 1 710 . 1 1 69 69 PRO HB2 H 1 2.157 0.000 . . . . . A 158 PRO HB2 . 34003 1 711 . 1 1 69 69 PRO HB3 H 1 1.609 0.000 . . . . . A 158 PRO HB3 . 34003 1 712 . 1 1 69 69 PRO HG2 H 1 1.195 0.000 . . . . . A 158 PRO HG2 . 34003 1 713 . 1 1 69 69 PRO HG3 H 1 1.182 0.000 . . . . . A 158 PRO HG3 . 34003 1 714 . 1 1 69 69 PRO HD2 H 1 3.117 0.000 . . . . . A 158 PRO HD2 . 34003 1 715 . 1 1 69 69 PRO HD3 H 1 3.018 0.000 . . . . . A 158 PRO HD3 . 34003 1 716 . 1 1 69 69 PRO CA C 13 63.640 0.000 . . . . . A 158 PRO CA . 34003 1 717 . 1 1 69 69 PRO CB C 13 32.063 0.029 . . . . . A 158 PRO CB . 34003 1 718 . 1 1 69 69 PRO CG C 13 27.240 0.002 . . . . . A 158 PRO CG . 34003 1 719 . 1 1 69 69 PRO CD C 13 49.812 0.002 . . . . . A 158 PRO CD . 34003 1 720 . 1 1 70 70 ASN H H 1 8.597 0.000 . . . . . A 159 ASN H . 34003 1 721 . 1 1 70 70 ASN HA H 1 4.684 0.000 . . . . . A 159 ASN HA . 34003 1 722 . 1 1 70 70 ASN HB2 H 1 2.456 0.000 . . . . . A 159 ASN HB2 . 34003 1 723 . 1 1 70 70 ASN HB3 H 1 3.592 0.000 . . . . . A 159 ASN HB3 . 34003 1 724 . 1 1 70 70 ASN HD21 H 1 7.465 0.000 . . . . . A 159 ASN HD21 . 34003 1 725 . 1 1 70 70 ASN HD22 H 1 6.770 0.000 . . . . . A 159 ASN HD22 . 34003 1 726 . 1 1 70 70 ASN CA C 13 52.041 0.000 . . . . . A 159 ASN CA . 34003 1 727 . 1 1 70 70 ASN CB C 13 38.445 0.032 . . . . . A 159 ASN CB . 34003 1 728 . 1 1 70 70 ASN N N 15 116.409 0.000 . . . . . A 159 ASN N . 34003 1 729 . 1 1 70 70 ASN ND2 N 15 109.203 0.000 . . . . . A 159 ASN ND2 . 34003 1 730 . 1 1 71 71 GLN H H 1 7.289 0.000 . . . . . A 160 GLN H . 34003 1 731 . 1 1 71 71 GLN HA H 1 4.508 0.000 . . . . . A 160 GLN HA . 34003 1 732 . 1 1 71 71 GLN HB2 H 1 2.054 0.000 . . . . . A 160 GLN HB2 . 34003 1 733 . 1 1 71 71 GLN HB3 H 1 1.952 0.000 . . . . . A 160 GLN HB3 . 34003 1 734 . 1 1 71 71 GLN HG2 H 1 2.177 0.000 . . . . . A 160 GLN HG2 . 34003 1 735 . 1 1 71 71 GLN HG3 H 1 2.017 0.000 . . . . . A 160 GLN HG3 . 34003 1 736 . 1 1 71 71 GLN HE21 H 1 6.965 0.000 . . . . . A 160 GLN HE21 . 34003 1 737 . 1 1 71 71 GLN HE22 H 1 7.900 0.000 . . . . . A 160 GLN HE22 . 34003 1 738 . 1 1 71 71 GLN CA C 13 54.127 0.000 . . . . . A 160 GLN CA . 34003 1 739 . 1 1 71 71 GLN CB C 13 32.822 0.000 . . . . . A 160 GLN CB . 34003 1 740 . 1 1 71 71 GLN CG C 13 34.074 0.014 . . . . . A 160 GLN CG . 34003 1 741 . 1 1 71 71 GLN N N 15 114.031 0.000 . . . . . A 160 GLN N . 34003 1 742 . 1 1 71 71 GLN NE2 N 15 112.540 0.002 . . . . . A 160 GLN NE2 . 34003 1 743 . 1 1 72 72 VAL H H 1 8.517 0.000 . . . . . A 161 VAL H . 34003 1 744 . 1 1 72 72 VAL HA H 1 4.925 0.000 . . . . . A 161 VAL HA . 34003 1 745 . 1 1 72 72 VAL HB H 1 2.625 0.000 . . . . . A 161 VAL HB . 34003 1 746 . 1 1 72 72 VAL HG11 H 1 0.930 0.000 . . . . . A 161 VAL HG11 . 34003 1 747 . 1 1 72 72 VAL HG12 H 1 0.930 0.000 . . . . . A 161 VAL HG12 . 34003 1 748 . 1 1 72 72 VAL HG13 H 1 0.930 0.000 . . . . . A 161 VAL HG13 . 34003 1 749 . 1 1 72 72 VAL HG21 H 1 0.763 0.000 . . . . . A 161 VAL HG21 . 34003 1 750 . 1 1 72 72 VAL HG22 H 1 0.763 0.000 . . . . . A 161 VAL HG22 . 34003 1 751 . 1 1 72 72 VAL HG23 H 1 0.763 0.000 . . . . . A 161 VAL HG23 . 34003 1 752 . 1 1 72 72 VAL CA C 13 58.715 0.000 . . . . . A 161 VAL CA . 34003 1 753 . 1 1 72 72 VAL CB C 13 33.798 0.000 . . . . . A 161 VAL CB . 34003 1 754 . 1 1 72 72 VAL CG1 C 13 23.481 0.000 . . . . . A 161 VAL CG1 . 34003 1 755 . 1 1 72 72 VAL CG2 C 13 18.501 0.000 . . . . . A 161 VAL CG2 . 34003 1 756 . 1 1 72 72 VAL N N 15 112.803 0.000 . . . . . A 161 VAL N . 34003 1 757 . 1 1 73 73 TYR H H 1 8.458 0.000 . . . . . A 162 TYR H . 34003 1 758 . 1 1 73 73 TYR HA H 1 5.516 0.000 . . . . . A 162 TYR HA . 34003 1 759 . 1 1 73 73 TYR HB2 H 1 2.548 0.000 . . . . . A 162 TYR HB2 . 34003 1 760 . 1 1 73 73 TYR HB3 H 1 2.551 0.000 . . . . . A 162 TYR HB3 . 34003 1 761 . 1 1 73 73 TYR HD1 H 1 6.875 0.000 . . . . . A 162 TYR HD1 . 34003 1 762 . 1 1 73 73 TYR HD2 H 1 6.876 0.000 . . . . . A 162 TYR HD2 . 34003 1 763 . 1 1 73 73 TYR HE1 H 1 6.830 0.000 . . . . . A 162 TYR HE1 . 34003 1 764 . 1 1 73 73 TYR HE2 H 1 6.830 0.000 . . . . . A 162 TYR HE2 . 34003 1 765 . 1 1 73 73 TYR CA C 13 57.094 0.000 . . . . . A 162 TYR CA . 34003 1 766 . 1 1 73 73 TYR CB C 13 41.922 0.012 . . . . . A 162 TYR CB . 34003 1 767 . 1 1 73 73 TYR CD1 C 13 132.978 0.000 . . . . . A 162 TYR CD1 . 34003 1 768 . 1 1 73 73 TYR CD2 C 13 132.983 0.000 . . . . . A 162 TYR CD2 . 34003 1 769 . 1 1 73 73 TYR CE1 C 13 118.521 0.000 . . . . . A 162 TYR CE1 . 34003 1 770 . 1 1 73 73 TYR CE2 C 13 118.521 0.000 . . . . . A 162 TYR CE2 . 34003 1 771 . 1 1 73 73 TYR N N 15 121.379 0.000 . . . . . A 162 TYR N . 34003 1 772 . 1 1 74 74 TYR H H 1 8.597 0.000 . . . . . A 163 TYR H . 34003 1 773 . 1 1 74 74 TYR HA H 1 4.757 0.000 . . . . . A 163 TYR HA . 34003 1 774 . 1 1 74 74 TYR HB2 H 1 2.827 0.000 . . . . . A 163 TYR HB2 . 34003 1 775 . 1 1 74 74 TYR HB3 H 1 2.829 0.000 . . . . . A 163 TYR HB3 . 34003 1 776 . 1 1 74 74 TYR HD1 H 1 6.963 0.002 . . . . . A 163 TYR HD1 . 34003 1 777 . 1 1 74 74 TYR HE1 H 1 6.442 0.000 . . . . . A 163 TYR HE1 . 34003 1 778 . 1 1 74 74 TYR HE2 H 1 6.443 0.000 . . . . . A 163 TYR HE2 . 34003 1 779 . 1 1 74 74 TYR CA C 13 55.379 0.000 . . . . . A 163 TYR CA . 34003 1 780 . 1 1 74 74 TYR CB C 13 40.122 0.007 . . . . . A 163 TYR CB . 34003 1 781 . 1 1 74 74 TYR CD1 C 13 133.784 0.008 . . . . . A 163 TYR CD1 . 34003 1 782 . 1 1 74 74 TYR CE1 C 13 117.683 0.000 . . . . . A 163 TYR CE1 . 34003 1 783 . 1 1 74 74 TYR CE2 C 13 117.692 0.000 . . . . . A 163 TYR CE2 . 34003 1 784 . 1 1 74 74 TYR N N 15 111.047 0.000 . . . . . A 163 TYR N . 34003 1 785 . 1 1 76 76 PRO HA H 1 4.494 0.000 . . . . . A 165 PRO HA . 34003 1 786 . 1 1 76 76 PRO HB2 H 1 1.888 0.000 . . . . . A 165 PRO HB2 . 34003 1 787 . 1 1 76 76 PRO HB3 H 1 2.457 0.000 . . . . . A 165 PRO HB3 . 34003 1 788 . 1 1 76 76 PRO HG2 H 1 1.857 0.000 . . . . . A 165 PRO HG2 . 34003 1 789 . 1 1 76 76 PRO HG3 H 1 1.804 0.000 . . . . . A 165 PRO HG3 . 34003 1 790 . 1 1 76 76 PRO HD2 H 1 3.587 0.000 . . . . . A 165 PRO HD2 . 34003 1 791 . 1 1 76 76 PRO HD3 H 1 3.483 0.000 . . . . . A 165 PRO HD3 . 34003 1 792 . 1 1 76 76 PRO CA C 13 62.992 0.000 . . . . . A 165 PRO CA . 34003 1 793 . 1 1 76 76 PRO CB C 13 32.417 0.020 . . . . . A 165 PRO CB . 34003 1 794 . 1 1 76 76 PRO CG C 13 28.754 0.001 . . . . . A 165 PRO CG . 34003 1 795 . 1 1 76 76 PRO CD C 13 50.162 0.007 . . . . . A 165 PRO CD . 34003 1 796 . 1 1 77 77 MET H H 1 8.893 0.000 . . . . . A 166 MET H . 34003 1 797 . 1 1 77 77 MET HA H 1 4.437 0.000 . . . . . A 166 MET HA . 34003 1 798 . 1 1 77 77 MET HB2 H 1 1.954 0.000 . . . . . A 166 MET HB2 . 34003 1 799 . 1 1 77 77 MET HB3 H 1 1.952 0.000 . . . . . A 166 MET HB3 . 34003 1 800 . 1 1 77 77 MET HG2 H 1 2.368 0.000 . . . . . A 166 MET HG2 . 34003 1 801 . 1 1 77 77 MET HG3 H 1 2.368 0.000 . . . . . A 166 MET HG3 . 34003 1 802 . 1 1 77 77 MET HE1 H 1 2.098 0.000 . . . . . A 166 MET HE1 . 34003 1 803 . 1 1 77 77 MET HE2 H 1 2.098 0.000 . . . . . A 166 MET HE2 . 34003 1 804 . 1 1 77 77 MET HE3 H 1 2.098 0.000 . . . . . A 166 MET HE3 . 34003 1 805 . 1 1 77 77 MET CA C 13 57.088 0.000 . . . . . A 166 MET CA . 34003 1 806 . 1 1 77 77 MET CB C 13 32.632 0.002 . . . . . A 166 MET CB . 34003 1 807 . 1 1 77 77 MET CG C 13 29.516 0.003 . . . . . A 166 MET CG . 34003 1 808 . 1 1 77 77 MET CE C 13 16.673 0.000 . . . . . A 166 MET CE . 34003 1 809 . 1 1 77 77 MET N N 15 120.874 0.000 . . . . . A 166 MET N . 34003 1 810 . 1 1 78 78 ASP H H 1 8.209 0.000 . . . . . A 167 ASP H . 34003 1 811 . 1 1 78 78 ASP N N 15 119.981 0.000 . . . . . A 167 ASP N . 34003 1 812 . 1 1 81 81 SER H H 1 8.566 0.000 . . . . . A 170 SER H . 34003 1 813 . 1 1 81 81 SER N N 15 116.536 0.000 . . . . . A 170 SER N . 34003 1 814 . 1 1 83 83 GLN H H 1 8.671 0.000 . . . . . A 172 GLN H . 34003 1 815 . 1 1 83 83 GLN N N 15 120.364 0.000 . . . . . A 172 GLN N . 34003 1 816 . 1 1 84 84 ASN H H 1 8.345 0.000 . . . . . A 173 ASN H . 34003 1 817 . 1 1 84 84 ASN N N 15 116.574 0.000 . . . . . A 173 ASN N . 34003 1 818 . 1 1 85 85 ASN H H 1 8.645 0.000 . . . . . A 174 ASN H . 34003 1 819 . 1 1 85 85 ASN N N 15 118.545 0.000 . . . . . A 174 ASN N . 34003 1 820 . 1 1 86 86 PHE HD1 H 1 7.302 0.000 . . . . . A 175 PHE HD1 . 34003 1 821 . 1 1 86 86 PHE HD2 H 1 7.301 0.000 . . . . . A 175 PHE HD2 . 34003 1 822 . 1 1 86 86 PHE HE1 H 1 7.633 0.000 . . . . . A 175 PHE HE1 . 34003 1 823 . 1 1 86 86 PHE HE2 H 1 7.633 0.000 . . . . . A 175 PHE HE2 . 34003 1 824 . 1 1 86 86 PHE HZ H 1 6.677 0.000 . . . . . A 175 PHE HZ . 34003 1 825 . 1 1 86 86 PHE CD1 C 13 133.058 0.000 . . . . . A 175 PHE CD1 . 34003 1 826 . 1 1 86 86 PHE CD2 C 13 133.050 0.000 . . . . . A 175 PHE CD2 . 34003 1 827 . 1 1 86 86 PHE CE1 C 13 131.758 0.000 . . . . . A 175 PHE CE1 . 34003 1 828 . 1 1 86 86 PHE CE2 C 13 131.758 0.000 . . . . . A 175 PHE CE2 . 34003 1 829 . 1 1 86 86 PHE CZ C 13 129.205 0.000 . . . . . A 175 PHE CZ . 34003 1 830 . 1 1 87 87 VAL H H 1 8.954 0.000 . . . . . A 176 VAL H . 34003 1 831 . 1 1 87 87 VAL HA H 1 3.552 0.000 . . . . . A 176 VAL HA . 34003 1 832 . 1 1 87 87 VAL HB H 1 2.226 0.000 . . . . . A 176 VAL HB . 34003 1 833 . 1 1 87 87 VAL HG11 H 1 1.081 0.000 . . . . . A 176 VAL HG11 . 34003 1 834 . 1 1 87 87 VAL HG12 H 1 1.081 0.000 . . . . . A 176 VAL HG12 . 34003 1 835 . 1 1 87 87 VAL HG13 H 1 1.081 0.000 . . . . . A 176 VAL HG13 . 34003 1 836 . 1 1 87 87 VAL HG21 H 1 1.041 0.000 . . . . . A 176 VAL HG21 . 34003 1 837 . 1 1 87 87 VAL HG22 H 1 1.041 0.000 . . . . . A 176 VAL HG22 . 34003 1 838 . 1 1 87 87 VAL HG23 H 1 1.041 0.000 . . . . . A 176 VAL HG23 . 34003 1 839 . 1 1 87 87 VAL CA C 13 67.750 0.000 . . . . . A 176 VAL CA . 34003 1 840 . 1 1 87 87 VAL CB C 13 31.971 0.000 . . . . . A 176 VAL CB . 34003 1 841 . 1 1 87 87 VAL CG1 C 13 24.664 0.000 . . . . . A 176 VAL CG1 . 34003 1 842 . 1 1 87 87 VAL CG2 C 13 21.790 0.000 . . . . . A 176 VAL CG2 . 34003 1 843 . 1 1 87 87 VAL N N 15 120.245 0.000 . . . . . A 176 VAL N . 34003 1 844 . 1 1 88 88 HIS H H 1 8.335 0.000 . . . . . A 177 HIS H . 34003 1 845 . 1 1 88 88 HIS N N 15 116.939 0.000 . . . . . A 177 HIS N . 34003 1 846 . 1 1 89 89 ASP H H 1 7.817 0.000 . . . . . A 178 ASP H . 34003 1 847 . 1 1 89 89 ASP HA H 1 4.524 0.000 . . . . . A 178 ASP HA . 34003 1 848 . 1 1 89 89 ASP HB2 H 1 2.936 0.000 . . . . . A 178 ASP HB2 . 34003 1 849 . 1 1 89 89 ASP HB3 H 1 2.845 0.000 . . . . . A 178 ASP HB3 . 34003 1 850 . 1 1 89 89 ASP CA C 13 57.371 0.000 . . . . . A 178 ASP CA . 34003 1 851 . 1 1 89 89 ASP CB C 13 41.224 0.018 . . . . . A 178 ASP CB . 34003 1 852 . 1 1 89 89 ASP N N 15 118.709 0.000 . . . . . A 178 ASP N . 34003 1 853 . 1 1 90 90 CYS H H 1 8.039 0.000 . . . . . A 179 CYS H . 34003 1 854 . 1 1 90 90 CYS HA H 1 4.741 0.000 . . . . . A 179 CYS HA . 34003 1 855 . 1 1 90 90 CYS HB2 H 1 3.018 0.000 . . . . . A 179 CYS HB2 . 34003 1 856 . 1 1 90 90 CYS HB3 H 1 3.398 0.000 . . . . . A 179 CYS HB3 . 34003 1 857 . 1 1 90 90 CYS CA C 13 58.599 0.000 . . . . . A 179 CYS CA . 34003 1 858 . 1 1 90 90 CYS CB C 13 40.615 0.023 . . . . . A 179 CYS CB . 34003 1 859 . 1 1 90 90 CYS N N 15 119.177 0.000 . . . . . A 179 CYS N . 34003 1 860 . 1 1 91 91 VAL H H 1 9.148 0.000 . . . . . A 180 VAL H . 34003 1 861 . 1 1 91 91 VAL HA H 1 3.593 0.000 . . . . . A 180 VAL HA . 34003 1 862 . 1 1 91 91 VAL HB H 1 2.159 0.000 . . . . . A 180 VAL HB . 34003 1 863 . 1 1 91 91 VAL HG11 H 1 1.081 0.000 . . . . . A 180 VAL HG11 . 34003 1 864 . 1 1 91 91 VAL HG12 H 1 1.081 0.000 . . . . . A 180 VAL HG12 . 34003 1 865 . 1 1 91 91 VAL HG13 H 1 1.081 0.000 . . . . . A 180 VAL HG13 . 34003 1 866 . 1 1 91 91 VAL HG21 H 1 0.959 0.000 . . . . . A 180 VAL HG21 . 34003 1 867 . 1 1 91 91 VAL HG22 H 1 0.959 0.000 . . . . . A 180 VAL HG22 . 34003 1 868 . 1 1 91 91 VAL HG23 H 1 0.959 0.000 . . . . . A 180 VAL HG23 . 34003 1 869 . 1 1 91 91 VAL CA C 13 66.595 0.000 . . . . . A 180 VAL CA . 34003 1 870 . 1 1 91 91 VAL CB C 13 30.570 0.000 . . . . . A 180 VAL CB . 34003 1 871 . 1 1 91 91 VAL CG1 C 13 23.436 0.000 . . . . . A 180 VAL CG1 . 34003 1 872 . 1 1 91 91 VAL CG2 C 13 21.757 0.000 . . . . . A 180 VAL CG2 . 34003 1 873 . 1 1 91 91 VAL N N 15 125.003 0.000 . . . . . A 180 VAL N . 34003 1 874 . 1 1 92 92 ASN H H 1 7.662 0.000 . . . . . A 181 ASN H . 34003 1 875 . 1 1 92 92 ASN HA H 1 4.309 0.000 . . . . . A 181 ASN HA . 34003 1 876 . 1 1 92 92 ASN HB2 H 1 2.821 0.000 . . . . . A 181 ASN HB2 . 34003 1 877 . 1 1 92 92 ASN HB3 H 1 2.753 0.000 . . . . . A 181 ASN HB3 . 34003 1 878 . 1 1 92 92 ASN HD21 H 1 7.636 0.000 . . . . . A 181 ASN HD21 . 34003 1 879 . 1 1 92 92 ASN HD22 H 1 6.774 0.000 . . . . . A 181 ASN HD22 . 34003 1 880 . 1 1 92 92 ASN CA C 13 56.820 0.000 . . . . . A 181 ASN CA . 34003 1 881 . 1 1 92 92 ASN CB C 13 38.760 0.003 . . . . . A 181 ASN CB . 34003 1 882 . 1 1 92 92 ASN N N 15 116.193 0.000 . . . . . A 181 ASN N . 34003 1 883 . 1 1 92 92 ASN ND2 N 15 112.044 0.000 . . . . . A 181 ASN ND2 . 34003 1 884 . 1 1 93 93 ILE H H 1 8.626 0.000 . . . . . A 182 ILE H . 34003 1 885 . 1 1 93 93 ILE HA H 1 3.775 0.000 . . . . . A 182 ILE HA . 34003 1 886 . 1 1 93 93 ILE HB H 1 1.568 0.000 . . . . . A 182 ILE HB . 34003 1 887 . 1 1 93 93 ILE HG12 H 1 0.839 0.000 . . . . . A 182 ILE HG12 . 34003 1 888 . 1 1 93 93 ILE HG13 H 1 0.839 0.000 . . . . . A 182 ILE HG13 . 34003 1 889 . 1 1 93 93 ILE HG21 H 1 0.281 0.000 . . . . . A 182 ILE HG21 . 34003 1 890 . 1 1 93 93 ILE HG22 H 1 0.281 0.000 . . . . . A 182 ILE HG22 . 34003 1 891 . 1 1 93 93 ILE HG23 H 1 0.281 0.000 . . . . . A 182 ILE HG23 . 34003 1 892 . 1 1 93 93 ILE HD11 H 1 0.397 0.000 . . . . . A 182 ILE HD11 . 34003 1 893 . 1 1 93 93 ILE HD12 H 1 0.397 0.000 . . . . . A 182 ILE HD12 . 34003 1 894 . 1 1 93 93 ILE HD13 H 1 0.397 0.000 . . . . . A 182 ILE HD13 . 34003 1 895 . 1 1 93 93 ILE CA C 13 62.083 0.000 . . . . . A 182 ILE CA . 34003 1 896 . 1 1 93 93 ILE CB C 13 36.548 0.000 . . . . . A 182 ILE CB . 34003 1 897 . 1 1 93 93 ILE CG1 C 13 27.581 0.000 . . . . . A 182 ILE CG1 . 34003 1 898 . 1 1 93 93 ILE CG2 C 13 18.502 0.000 . . . . . A 182 ILE CG2 . 34003 1 899 . 1 1 93 93 ILE CD1 C 13 11.373 0.000 . . . . . A 182 ILE CD1 . 34003 1 900 . 1 1 93 93 ILE N N 15 118.613 0.000 . . . . . A 182 ILE N . 34003 1 901 . 1 1 94 94 THR H H 1 8.148 0.000 . . . . . A 183 THR H . 34003 1 902 . 1 1 94 94 THR HA H 1 4.084 0.000 . . . . . A 183 THR HA . 34003 1 903 . 1 1 94 94 THR HB H 1 4.070 0.000 . . . . . A 183 THR HB . 34003 1 904 . 1 1 94 94 THR HG21 H 1 1.255 0.000 . . . . . A 183 THR HG21 . 34003 1 905 . 1 1 94 94 THR HG22 H 1 1.255 0.000 . . . . . A 183 THR HG22 . 34003 1 906 . 1 1 94 94 THR HG23 H 1 1.255 0.000 . . . . . A 183 THR HG23 . 34003 1 907 . 1 1 94 94 THR CA C 13 68.814 0.000 . . . . . A 183 THR CA . 34003 1 908 . 1 1 94 94 THR CB C 13 64.907 0.000 . . . . . A 183 THR CB . 34003 1 909 . 1 1 94 94 THR CG2 C 13 21.204 0.000 . . . . . A 183 THR CG2 . 34003 1 910 . 1 1 94 94 THR N N 15 118.313 0.000 . . . . . A 183 THR N . 34003 1 911 . 1 1 95 95 ILE H H 1 8.479 0.000 . . . . . A 184 ILE H . 34003 1 912 . 1 1 95 95 ILE HA H 1 3.663 0.000 . . . . . A 184 ILE HA . 34003 1 913 . 1 1 95 95 ILE HB H 1 2.053 0.000 . . . . . A 184 ILE HB . 34003 1 914 . 1 1 95 95 ILE HG12 H 1 1.084 0.000 . . . . . A 184 ILE HG12 . 34003 1 915 . 1 1 95 95 ILE HG13 H 1 1.084 0.000 . . . . . A 184 ILE HG13 . 34003 1 916 . 1 1 95 95 ILE HG21 H 1 0.869 0.000 . . . . . A 184 ILE HG21 . 34003 1 917 . 1 1 95 95 ILE HG22 H 1 0.869 0.000 . . . . . A 184 ILE HG22 . 34003 1 918 . 1 1 95 95 ILE HG23 H 1 0.869 0.000 . . . . . A 184 ILE HG23 . 34003 1 919 . 1 1 95 95 ILE HD11 H 1 0.773 0.000 . . . . . A 184 ILE HD11 . 34003 1 920 . 1 1 95 95 ILE HD12 H 1 0.773 0.000 . . . . . A 184 ILE HD12 . 34003 1 921 . 1 1 95 95 ILE HD13 H 1 0.773 0.000 . . . . . A 184 ILE HD13 . 34003 1 922 . 1 1 95 95 ILE CA C 13 66.254 0.000 . . . . . A 184 ILE CA . 34003 1 923 . 1 1 95 95 ILE CB C 13 36.958 0.000 . . . . . A 184 ILE CB . 34003 1 924 . 1 1 95 95 ILE CG1 C 13 30.312 0.000 . . . . . A 184 ILE CG1 . 34003 1 925 . 1 1 95 95 ILE CG2 C 13 16.661 0.000 . . . . . A 184 ILE CG2 . 34003 1 926 . 1 1 95 95 ILE CD1 C 13 13.361 0.000 . . . . . A 184 ILE CD1 . 34003 1 927 . 1 1 95 95 ILE N N 15 120.823 0.000 . . . . . A 184 ILE N . 34003 1 928 . 1 1 96 96 LYS H H 1 8.029 0.000 . . . . . A 185 LYS H . 34003 1 929 . 1 1 96 96 LYS HA H 1 4.058 0.000 . . . . . A 185 LYS HA . 34003 1 930 . 1 1 96 96 LYS HB2 H 1 1.947 0.000 . . . . . A 185 LYS HB2 . 34003 1 931 . 1 1 96 96 LYS HB3 H 1 1.946 0.000 . . . . . A 185 LYS HB3 . 34003 1 932 . 1 1 96 96 LYS HG2 H 1 1.404 0.000 . . . . . A 185 LYS HG2 . 34003 1 933 . 1 1 96 96 LYS HG3 H 1 1.403 0.000 . . . . . A 185 LYS HG3 . 34003 1 934 . 1 1 96 96 LYS HD2 H 1 1.628 0.000 . . . . . A 185 LYS HD2 . 34003 1 935 . 1 1 96 96 LYS HD3 H 1 1.692 0.000 . . . . . A 185 LYS HD3 . 34003 1 936 . 1 1 96 96 LYS HE2 H 1 2.906 0.000 . . . . . A 185 LYS HE2 . 34003 1 937 . 1 1 96 96 LYS HE3 H 1 2.944 0.000 . . . . . A 185 LYS HE3 . 34003 1 938 . 1 1 96 96 LYS CA C 13 60.002 0.000 . . . . . A 185 LYS CA . 34003 1 939 . 1 1 96 96 LYS CB C 13 32.171 0.000 . . . . . A 185 LYS CB . 34003 1 940 . 1 1 96 96 LYS CG C 13 24.532 0.003 . . . . . A 185 LYS CG . 34003 1 941 . 1 1 96 96 LYS CD C 13 29.075 0.013 . . . . . A 185 LYS CD . 34003 1 942 . 1 1 96 96 LYS CE C 13 41.847 0.015 . . . . . A 185 LYS CE . 34003 1 943 . 1 1 96 96 LYS N N 15 122.922 0.000 . . . . . A 185 LYS N . 34003 1 944 . 1 1 97 97 GLN H H 1 8.415 0.000 . . . . . A 186 GLN H . 34003 1 945 . 1 1 97 97 GLN HA H 1 4.048 0.000 . . . . . A 186 GLN HA . 34003 1 946 . 1 1 97 97 GLN HB2 H 1 1.898 0.000 . . . . . A 186 GLN HB2 . 34003 1 947 . 1 1 97 97 GLN HB3 H 1 1.899 0.000 . . . . . A 186 GLN HB3 . 34003 1 948 . 1 1 97 97 GLN HG2 H 1 2.409 0.000 . . . . . A 186 GLN HG2 . 34003 1 949 . 1 1 97 97 GLN HG3 H 1 2.512 0.000 . . . . . A 186 GLN HG3 . 34003 1 950 . 1 1 97 97 GLN HE21 H 1 6.675 0.000 . . . . . A 186 GLN HE21 . 34003 1 951 . 1 1 97 97 GLN HE22 H 1 6.795 0.000 . . . . . A 186 GLN HE22 . 34003 1 952 . 1 1 97 97 GLN CA C 13 58.004 0.000 . . . . . A 186 GLN CA . 34003 1 953 . 1 1 97 97 GLN CB C 13 27.961 0.000 . . . . . A 186 GLN CB . 34003 1 954 . 1 1 97 97 GLN CG C 13 33.897 0.006 . . . . . A 186 GLN CG . 34003 1 955 . 1 1 97 97 GLN N N 15 116.571 0.000 . . . . . A 186 GLN N . 34003 1 956 . 1 1 97 97 GLN NE2 N 15 109.930 0.001 . . . . . A 186 GLN NE2 . 34003 1 957 . 1 1 98 98 HIS H H 1 8.248 0.000 . . . . . A 187 HIS H . 34003 1 958 . 1 1 98 98 HIS HA H 1 4.575 0.000 . . . . . A 187 HIS HA . 34003 1 959 . 1 1 98 98 HIS HB2 H 1 3.361 0.000 . . . . . A 187 HIS HB2 . 34003 1 960 . 1 1 98 98 HIS HB3 H 1 3.134 0.000 . . . . . A 187 HIS HB3 . 34003 1 961 . 1 1 98 98 HIS HD2 H 1 6.928 0.000 . . . . . A 187 HIS HD2 . 34003 1 962 . 1 1 98 98 HIS HE1 H 1 8.468 0.000 . . . . . A 187 HIS HE1 . 34003 1 963 . 1 1 98 98 HIS CA C 13 59.525 0.000 . . . . . A 187 HIS CA . 34003 1 964 . 1 1 98 98 HIS CB C 13 31.688 0.001 . . . . . A 187 HIS CB . 34003 1 965 . 1 1 98 98 HIS CD2 C 13 118.199 0.000 . . . . . A 187 HIS CD2 . 34003 1 966 . 1 1 98 98 HIS CE1 C 13 137.756 0.000 . . . . . A 187 HIS CE1 . 34003 1 967 . 1 1 98 98 HIS N N 15 118.545 0.000 . . . . . A 187 HIS N . 34003 1 968 . 1 1 99 99 THR H H 1 8.304 0.000 . . . . . A 188 THR H . 34003 1 969 . 1 1 99 99 THR HA H 1 4.122 0.000 . . . . . A 188 THR HA . 34003 1 970 . 1 1 99 99 THR HB H 1 4.452 0.000 . . . . . A 188 THR HB . 34003 1 971 . 1 1 99 99 THR HG21 H 1 1.292 0.000 . . . . . A 188 THR HG21 . 34003 1 972 . 1 1 99 99 THR HG22 H 1 1.292 0.000 . . . . . A 188 THR HG22 . 34003 1 973 . 1 1 99 99 THR HG23 H 1 1.292 0.000 . . . . . A 188 THR HG23 . 34003 1 974 . 1 1 99 99 THR CA C 13 65.010 0.000 . . . . . A 188 THR CA . 34003 1 975 . 1 1 99 99 THR CB C 13 68.735 0.000 . . . . . A 188 THR CB . 34003 1 976 . 1 1 99 99 THR CG2 C 13 21.655 0.000 . . . . . A 188 THR CG2 . 34003 1 977 . 1 1 99 99 THR N N 15 113.999 0.000 . . . . . A 188 THR N . 34003 1 978 . 1 1 100 100 VAL H H 1 8.014 0.000 . . . . . A 189 VAL H . 34003 1 979 . 1 1 100 100 VAL HA H 1 3.904 0.000 . . . . . A 189 VAL HA . 34003 1 980 . 1 1 100 100 VAL HB H 1 2.224 0.000 . . . . . A 189 VAL HB . 34003 1 981 . 1 1 100 100 VAL HG11 H 1 1.049 0.000 . . . . . A 189 VAL HG11 . 34003 1 982 . 1 1 100 100 VAL HG12 H 1 1.049 0.000 . . . . . A 189 VAL HG12 . 34003 1 983 . 1 1 100 100 VAL HG13 H 1 1.049 0.000 . . . . . A 189 VAL HG13 . 34003 1 984 . 1 1 100 100 VAL HG21 H 1 0.956 0.000 . . . . . A 189 VAL HG21 . 34003 1 985 . 1 1 100 100 VAL HG22 H 1 0.956 0.000 . . . . . A 189 VAL HG22 . 34003 1 986 . 1 1 100 100 VAL HG23 H 1 0.956 0.000 . . . . . A 189 VAL HG23 . 34003 1 987 . 1 1 100 100 VAL CA C 13 65.779 0.000 . . . . . A 189 VAL CA . 34003 1 988 . 1 1 100 100 VAL CB C 13 31.810 0.000 . . . . . A 189 VAL CB . 34003 1 989 . 1 1 100 100 VAL CG1 C 13 21.953 0.000 . . . . . A 189 VAL CG1 . 34003 1 990 . 1 1 100 100 VAL CG2 C 13 20.983 0.000 . . . . . A 189 VAL CG2 . 34003 1 991 . 1 1 100 100 VAL N N 15 122.414 0.000 . . . . . A 189 VAL N . 34003 1 992 . 1 1 101 101 THR H H 1 8.086 0.000 . . . . . A 190 THR H . 34003 1 993 . 1 1 101 101 THR HA H 1 4.191 0.000 . . . . . A 190 THR HA . 34003 1 994 . 1 1 101 101 THR HB H 1 4.307 0.000 . . . . . A 190 THR HB . 34003 1 995 . 1 1 101 101 THR HG21 H 1 1.320 0.000 . . . . . A 190 THR HG21 . 34003 1 996 . 1 1 101 101 THR HG22 H 1 1.320 0.000 . . . . . A 190 THR HG22 . 34003 1 997 . 1 1 101 101 THR HG23 H 1 1.320 0.000 . . . . . A 190 THR HG23 . 34003 1 998 . 1 1 101 101 THR CA C 13 64.407 0.000 . . . . . A 190 THR CA . 34003 1 999 . 1 1 101 101 THR CB C 13 69.003 0.000 . . . . . A 190 THR CB . 34003 1 1000 . 1 1 101 101 THR CG2 C 13 21.341 0.000 . . . . . A 190 THR CG2 . 34003 1 1001 . 1 1 101 101 THR N N 15 115.092 0.000 . . . . . A 190 THR N . 34003 1 1002 . 1 1 102 102 THR H H 1 7.998 0.000 . . . . . A 191 THR H . 34003 1 1003 . 1 1 102 102 THR HA H 1 4.191 0.000 . . . . . A 191 THR HA . 34003 1 1004 . 1 1 102 102 THR HB H 1 4.348 0.000 . . . . . A 191 THR HB . 34003 1 1005 . 1 1 102 102 THR HG21 H 1 1.291 0.000 . . . . . A 191 THR HG21 . 34003 1 1006 . 1 1 102 102 THR HG22 H 1 1.291 0.000 . . . . . A 191 THR HG22 . 34003 1 1007 . 1 1 102 102 THR HG23 H 1 1.291 0.000 . . . . . A 191 THR HG23 . 34003 1 1008 . 1 1 102 102 THR CA C 13 64.407 0.000 . . . . . A 191 THR CA . 34003 1 1009 . 1 1 102 102 THR CB C 13 68.940 0.000 . . . . . A 191 THR CB . 34003 1 1010 . 1 1 102 102 THR CG2 C 13 21.718 0.000 . . . . . A 191 THR CG2 . 34003 1 1011 . 1 1 102 102 THR N N 15 114.758 0.000 . . . . . A 191 THR N . 34003 1 1012 . 1 1 103 103 THR H H 1 8.192 0.000 . . . . . A 192 THR H . 34003 1 1013 . 1 1 103 103 THR HA H 1 4.191 0.000 . . . . . A 192 THR HA . 34003 1 1014 . 1 1 103 103 THR HB H 1 4.349 0.000 . . . . . A 192 THR HB . 34003 1 1015 . 1 1 103 103 THR HG21 H 1 1.291 0.000 . . . . . A 192 THR HG21 . 34003 1 1016 . 1 1 103 103 THR HG22 H 1 1.291 0.000 . . . . . A 192 THR HG22 . 34003 1 1017 . 1 1 103 103 THR HG23 H 1 1.291 0.000 . . . . . A 192 THR HG23 . 34003 1 1018 . 1 1 103 103 THR CA C 13 64.407 0.000 . . . . . A 192 THR CA . 34003 1 1019 . 1 1 103 103 THR CB C 13 69.008 0.000 . . . . . A 192 THR CB . 34003 1 1020 . 1 1 103 103 THR CG2 C 13 21.561 0.000 . . . . . A 192 THR CG2 . 34003 1 1021 . 1 1 103 103 THR N N 15 117.089 0.000 . . . . . A 192 THR N . 34003 1 1022 . 1 1 104 104 THR H H 1 7.882 0.000 . . . . . A 193 THR H . 34003 1 1023 . 1 1 104 104 THR HA H 1 4.365 0.000 . . . . . A 193 THR HA . 34003 1 1024 . 1 1 104 104 THR HB H 1 4.347 0.000 . . . . . A 193 THR HB . 34003 1 1025 . 1 1 104 104 THR HG21 H 1 1.322 0.000 . . . . . A 193 THR HG21 . 34003 1 1026 . 1 1 104 104 THR HG22 H 1 1.322 0.000 . . . . . A 193 THR HG22 . 34003 1 1027 . 1 1 104 104 THR HG23 H 1 1.322 0.000 . . . . . A 193 THR HG23 . 34003 1 1028 . 1 1 104 104 THR CA C 13 65.033 0.000 . . . . . A 193 THR CA . 34003 1 1029 . 1 1 104 104 THR CB C 13 69.087 0.000 . . . . . A 193 THR CB . 34003 1 1030 . 1 1 104 104 THR CG2 C 13 21.450 0.000 . . . . . A 193 THR CG2 . 34003 1 1031 . 1 1 104 104 THR N N 15 116.185 0.000 . . . . . A 193 THR N . 34003 1 1032 . 1 1 105 105 LYS H H 1 7.708 0.000 . . . . . A 194 LYS H . 34003 1 1033 . 1 1 105 105 LYS HA H 1 4.331 0.000 . . . . . A 194 LYS HA . 34003 1 1034 . 1 1 105 105 LYS HB2 H 1 1.855 0.000 . . . . . A 194 LYS HB2 . 34003 1 1035 . 1 1 105 105 LYS HB3 H 1 1.858 0.000 . . . . . A 194 LYS HB3 . 34003 1 1036 . 1 1 105 105 LYS HG2 H 1 1.447 0.000 . . . . . A 194 LYS HG2 . 34003 1 1037 . 1 1 105 105 LYS HG3 H 1 1.497 0.000 . . . . . A 194 LYS HG3 . 34003 1 1038 . 1 1 105 105 LYS HD2 H 1 1.623 0.000 . . . . . A 194 LYS HD2 . 34003 1 1039 . 1 1 105 105 LYS HD3 H 1 1.694 0.000 . . . . . A 194 LYS HD3 . 34003 1 1040 . 1 1 105 105 LYS HE2 H 1 2.947 0.000 . . . . . A 194 LYS HE2 . 34003 1 1041 . 1 1 105 105 LYS HE3 H 1 2.905 0.000 . . . . . A 194 LYS HE3 . 34003 1 1042 . 1 1 105 105 LYS CA C 13 56.246 0.000 . . . . . A 194 LYS CA . 34003 1 1043 . 1 1 105 105 LYS CB C 13 32.855 0.000 . . . . . A 194 LYS CB . 34003 1 1044 . 1 1 105 105 LYS CG C 13 24.902 0.009 . . . . . A 194 LYS CG . 34003 1 1045 . 1 1 105 105 LYS CD C 13 29.026 0.037 . . . . . A 194 LYS CD . 34003 1 1046 . 1 1 105 105 LYS CE C 13 41.850 0.046 . . . . . A 194 LYS CE . 34003 1 1047 . 1 1 105 105 LYS N N 15 120.627 0.000 . . . . . A 194 LYS N . 34003 1 1048 . 1 1 106 106 GLY H H 1 8.038 0.000 . . . . . A 195 GLY H . 34003 1 1049 . 1 1 106 106 GLY HA2 H 1 4.143 0.000 . . . . . A 195 GLY HA2 . 34003 1 1050 . 1 1 106 106 GLY HA3 H 1 3.806 0.000 . . . . . A 195 GLY HA3 . 34003 1 1051 . 1 1 106 106 GLY CA C 13 45.561 0.018 . . . . . A 195 GLY CA . 34003 1 1052 . 1 1 106 106 GLY N N 15 108.555 0.000 . . . . . A 195 GLY N . 34003 1 1053 . 1 1 107 107 GLU H H 1 7.613 0.000 . . . . . A 196 GLU H . 34003 1 1054 . 1 1 107 107 GLU HA H 1 4.252 0.000 . . . . . A 196 GLU HA . 34003 1 1055 . 1 1 107 107 GLU HB2 H 1 1.575 0.000 . . . . . A 196 GLU HB2 . 34003 1 1056 . 1 1 107 107 GLU HB3 H 1 1.547 0.000 . . . . . A 196 GLU HB3 . 34003 1 1057 . 1 1 107 107 GLU HG2 H 1 2.051 0.000 . . . . . A 196 GLU HG2 . 34003 1 1058 . 1 1 107 107 GLU HG3 H 1 1.912 0.000 . . . . . A 196 GLU HG3 . 34003 1 1059 . 1 1 107 107 GLU CA C 13 55.563 0.000 . . . . . A 196 GLU CA . 34003 1 1060 . 1 1 107 107 GLU CB C 13 31.103 0.003 . . . . . A 196 GLU CB . 34003 1 1061 . 1 1 107 107 GLU CG C 13 35.929 0.018 . . . . . A 196 GLU CG . 34003 1 1062 . 1 1 107 107 GLU N N 15 120.005 0.000 . . . . . A 196 GLU N . 34003 1 1063 . 1 1 108 108 ASN H H 1 8.441 0.000 . . . . . A 197 ASN H . 34003 1 1064 . 1 1 108 108 ASN HA H 1 4.596 0.000 . . . . . A 197 ASN HA . 34003 1 1065 . 1 1 108 108 ASN HB2 H 1 2.632 0.000 . . . . . A 197 ASN HB2 . 34003 1 1066 . 1 1 108 108 ASN HB3 H 1 2.625 0.000 . . . . . A 197 ASN HB3 . 34003 1 1067 . 1 1 108 108 ASN HD21 H 1 7.529 0.000 . . . . . A 197 ASN HD21 . 34003 1 1068 . 1 1 108 108 ASN HD22 H 1 6.805 0.000 . . . . . A 197 ASN HD22 . 34003 1 1069 . 1 1 108 108 ASN CA C 13 52.674 0.000 . . . . . A 197 ASN CA . 34003 1 1070 . 1 1 108 108 ASN CB C 13 40.424 0.001 . . . . . A 197 ASN CB . 34003 1 1071 . 1 1 108 108 ASN N N 15 119.554 0.000 . . . . . A 197 ASN N . 34003 1 1072 . 1 1 108 108 ASN ND2 N 15 113.112 0.001 . . . . . A 197 ASN ND2 . 34003 1 1073 . 1 1 109 109 PHE H H 1 8.670 0.000 . . . . . A 198 PHE H . 34003 1 1074 . 1 1 109 109 PHE HA H 1 5.315 0.000 . . . . . A 198 PHE HA . 34003 1 1075 . 1 1 109 109 PHE HB2 H 1 3.144 0.000 . . . . . A 198 PHE HB2 . 34003 1 1076 . 1 1 109 109 PHE HB3 H 1 2.922 0.000 . . . . . A 198 PHE HB3 . 34003 1 1077 . 1 1 109 109 PHE HD1 H 1 7.326 0.000 . . . . . A 198 PHE HD1 . 34003 1 1078 . 1 1 109 109 PHE HD2 H 1 7.325 0.000 . . . . . A 198 PHE HD2 . 34003 1 1079 . 1 1 109 109 PHE HE1 H 1 7.442 0.000 . . . . . A 198 PHE HE1 . 34003 1 1080 . 1 1 109 109 PHE HE2 H 1 7.442 0.000 . . . . . A 198 PHE HE2 . 34003 1 1081 . 1 1 109 109 PHE HZ H 1 6.721 0.000 . . . . . A 198 PHE HZ . 34003 1 1082 . 1 1 109 109 PHE CA C 13 56.547 0.000 . . . . . A 198 PHE CA . 34003 1 1083 . 1 1 109 109 PHE CB C 13 40.115 0.006 . . . . . A 198 PHE CB . 34003 1 1084 . 1 1 109 109 PHE CD1 C 13 131.470 0.000 . . . . . A 198 PHE CD1 . 34003 1 1085 . 1 1 109 109 PHE CD2 C 13 131.470 0.000 . . . . . A 198 PHE CD2 . 34003 1 1086 . 1 1 109 109 PHE CE1 C 13 130.082 0.000 . . . . . A 198 PHE CE1 . 34003 1 1087 . 1 1 109 109 PHE CE2 C 13 130.072 0.000 . . . . . A 198 PHE CE2 . 34003 1 1088 . 1 1 109 109 PHE CZ C 13 128.996 0.000 . . . . . A 198 PHE CZ . 34003 1 1089 . 1 1 109 109 PHE N N 15 121.860 0.000 . . . . . A 198 PHE N . 34003 1 1090 . 1 1 110 110 THR H H 1 9.510 0.000 . . . . . A 199 THR H . 34003 1 1091 . 1 1 110 110 THR HA H 1 4.618 0.000 . . . . . A 199 THR HA . 34003 1 1092 . 1 1 110 110 THR HB H 1 4.829 0.000 . . . . . A 199 THR HB . 34003 1 1093 . 1 1 110 110 THR HG21 H 1 1.424 0.000 . . . . . A 199 THR HG21 . 34003 1 1094 . 1 1 110 110 THR HG22 H 1 1.424 0.000 . . . . . A 199 THR HG22 . 34003 1 1095 . 1 1 110 110 THR HG23 H 1 1.424 0.000 . . . . . A 199 THR HG23 . 34003 1 1096 . 1 1 110 110 THR CA C 13 60.335 0.000 . . . . . A 199 THR CA . 34003 1 1097 . 1 1 110 110 THR CB C 13 72.034 0.000 . . . . . A 199 THR CB . 34003 1 1098 . 1 1 110 110 THR CG2 C 13 21.659 0.000 . . . . . A 199 THR CG2 . 34003 1 1099 . 1 1 110 110 THR N N 15 116.047 0.000 . . . . . A 199 THR N . 34003 1 1100 . 1 1 111 111 GLU H H 1 9.115 0.000 . . . . . A 200 GLU H . 34003 1 1101 . 1 1 111 111 GLU HA H 1 4.061 0.000 . . . . . A 200 GLU HA . 34003 1 1102 . 1 1 111 111 GLU HB2 H 1 2.060 0.000 . . . . . A 200 GLU HB2 . 34003 1 1103 . 1 1 111 111 GLU HB3 H 1 2.114 0.000 . . . . . A 200 GLU HB3 . 34003 1 1104 . 1 1 111 111 GLU HG2 H 1 2.396 0.000 . . . . . A 200 GLU HG2 . 34003 1 1105 . 1 1 111 111 GLU HG3 H 1 2.320 0.000 . . . . . A 200 GLU HG3 . 34003 1 1106 . 1 1 111 111 GLU CA C 13 59.976 0.000 . . . . . A 200 GLU CA . 34003 1 1107 . 1 1 111 111 GLU CB C 13 29.016 0.005 . . . . . A 200 GLU CB . 34003 1 1108 . 1 1 111 111 GLU CG C 13 36.208 0.010 . . . . . A 200 GLU CG . 34003 1 1109 . 1 1 111 111 GLU N N 15 119.965 0.000 . . . . . A 200 GLU N . 34003 1 1110 . 1 1 112 112 THR H H 1 7.939 0.000 . . . . . A 201 THR H . 34003 1 1111 . 1 1 112 112 THR HA H 1 3.792 0.000 . . . . . A 201 THR HA . 34003 1 1112 . 1 1 112 112 THR HB H 1 3.702 0.000 . . . . . A 201 THR HB . 34003 1 1113 . 1 1 112 112 THR HG21 H 1 0.698 0.000 . . . . . A 201 THR HG21 . 34003 1 1114 . 1 1 112 112 THR HG22 H 1 0.698 0.000 . . . . . A 201 THR HG22 . 34003 1 1115 . 1 1 112 112 THR HG23 H 1 0.698 0.000 . . . . . A 201 THR HG23 . 34003 1 1116 . 1 1 112 112 THR CA C 13 66.768 0.000 . . . . . A 201 THR CA . 34003 1 1117 . 1 1 112 112 THR CB C 13 68.581 0.000 . . . . . A 201 THR CB . 34003 1 1118 . 1 1 112 112 THR CG2 C 13 20.965 0.000 . . . . . A 201 THR CG2 . 34003 1 1119 . 1 1 112 112 THR N N 15 116.202 0.000 . . . . . A 201 THR N . 34003 1 1120 . 1 1 113 113 ASP H H 1 7.490 0.000 . . . . . A 202 ASP H . 34003 1 1121 . 1 1 113 113 ASP HA H 1 4.595 0.000 . . . . . A 202 ASP HA . 34003 1 1122 . 1 1 113 113 ASP HB2 H 1 2.584 0.000 . . . . . A 202 ASP HB2 . 34003 1 1123 . 1 1 113 113 ASP HB3 H 1 2.632 0.000 . . . . . A 202 ASP HB3 . 34003 1 1124 . 1 1 113 113 ASP CA C 13 57.868 0.000 . . . . . A 202 ASP CA . 34003 1 1125 . 1 1 113 113 ASP CB C 13 40.887 0.003 . . . . . A 202 ASP CB . 34003 1 1126 . 1 1 113 113 ASP N N 15 120.114 0.000 . . . . . A 202 ASP N . 34003 1 1127 . 1 1 114 114 VAL H H 1 8.217 0.000 . . . . . A 203 VAL H . 34003 1 1128 . 1 1 114 114 VAL HA H 1 3.273 0.000 . . . . . A 203 VAL HA . 34003 1 1129 . 1 1 114 114 VAL HB H 1 2.091 0.000 . . . . . A 203 VAL HB . 34003 1 1130 . 1 1 114 114 VAL HG11 H 1 0.882 0.000 . . . . . A 203 VAL HG11 . 34003 1 1131 . 1 1 114 114 VAL HG12 H 1 0.882 0.000 . . . . . A 203 VAL HG12 . 34003 1 1132 . 1 1 114 114 VAL HG13 H 1 0.882 0.000 . . . . . A 203 VAL HG13 . 34003 1 1133 . 1 1 114 114 VAL HG21 H 1 0.962 0.000 . . . . . A 203 VAL HG21 . 34003 1 1134 . 1 1 114 114 VAL HG22 H 1 0.962 0.000 . . . . . A 203 VAL HG22 . 34003 1 1135 . 1 1 114 114 VAL HG23 H 1 0.962 0.000 . . . . . A 203 VAL HG23 . 34003 1 1136 . 1 1 114 114 VAL CA C 13 67.791 0.000 . . . . . A 203 VAL CA . 34003 1 1137 . 1 1 114 114 VAL CB C 13 31.504 0.000 . . . . . A 203 VAL CB . 34003 1 1138 . 1 1 114 114 VAL CG1 C 13 21.128 0.000 . . . . . A 203 VAL CG1 . 34003 1 1139 . 1 1 114 114 VAL CG2 C 13 22.679 0.000 . . . . . A 203 VAL CG2 . 34003 1 1140 . 1 1 114 114 VAL N N 15 119.608 0.000 . . . . . A 203 VAL N . 34003 1 1141 . 1 1 115 115 LYS H H 1 7.726 0.000 . . . . . A 204 LYS H . 34003 1 1142 . 1 1 115 115 LYS HA H 1 4.076 0.000 . . . . . A 204 LYS HA . 34003 1 1143 . 1 1 115 115 LYS HB2 H 1 1.975 0.000 . . . . . A 204 LYS HB2 . 34003 1 1144 . 1 1 115 115 LYS HB3 H 1 1.973 0.000 . . . . . A 204 LYS HB3 . 34003 1 1145 . 1 1 115 115 LYS HG2 H 1 1.449 0.000 . . . . . A 204 LYS HG2 . 34003 1 1146 . 1 1 115 115 LYS HG3 H 1 1.500 0.000 . . . . . A 204 LYS HG3 . 34003 1 1147 . 1 1 115 115 LYS HD2 H 1 1.691 0.000 . . . . . A 204 LYS HD2 . 34003 1 1148 . 1 1 115 115 LYS HD3 H 1 1.627 0.000 . . . . . A 204 LYS HD3 . 34003 1 1149 . 1 1 115 115 LYS HE2 H 1 2.944 0.000 . . . . . A 204 LYS HE2 . 34003 1 1150 . 1 1 115 115 LYS HE3 H 1 2.905 0.000 . . . . . A 204 LYS HE3 . 34003 1 1151 . 1 1 115 115 LYS CA C 13 59.213 0.000 . . . . . A 204 LYS CA . 34003 1 1152 . 1 1 115 115 LYS CB C 13 31.879 0.003 . . . . . A 204 LYS CB . 34003 1 1153 . 1 1 115 115 LYS CG C 13 24.852 0.007 . . . . . A 204 LYS CG . 34003 1 1154 . 1 1 115 115 LYS CD C 13 28.919 0.024 . . . . . A 204 LYS CD . 34003 1 1155 . 1 1 115 115 LYS CE C 13 41.812 0.015 . . . . . A 204 LYS CE . 34003 1 1156 . 1 1 115 115 LYS N N 15 119.126 0.000 . . . . . A 204 LYS N . 34003 1 1157 . 1 1 116 116 MET H H 1 8.207 0.000 . . . . . A 205 MET H . 34003 1 1158 . 1 1 116 116 MET HA H 1 4.060 0.000 . . . . . A 205 MET HA . 34003 1 1159 . 1 1 116 116 MET HB2 H 1 1.888 0.000 . . . . . A 205 MET HB2 . 34003 1 1160 . 1 1 116 116 MET HB3 H 1 2.288 0.000 . . . . . A 205 MET HB3 . 34003 1 1161 . 1 1 116 116 MET HG2 H 1 1.628 0.000 . . . . . A 205 MET HG2 . 34003 1 1162 . 1 1 116 116 MET HG3 H 1 1.628 0.000 . . . . . A 205 MET HG3 . 34003 1 1163 . 1 1 116 116 MET HE1 H 1 1.490 0.000 . . . . . A 205 MET HE1 . 34003 1 1164 . 1 1 116 116 MET HE2 H 1 1.490 0.000 . . . . . A 205 MET HE2 . 34003 1 1165 . 1 1 116 116 MET HE3 H 1 1.490 0.000 . . . . . A 205 MET HE3 . 34003 1 1166 . 1 1 116 116 MET CA C 13 60.048 0.000 . . . . . A 205 MET CA . 34003 1 1167 . 1 1 116 116 MET CB C 13 32.177 0.005 . . . . . A 205 MET CB . 34003 1 1168 . 1 1 116 116 MET CG C 13 32.456 0.000 . . . . . A 205 MET CG . 34003 1 1169 . 1 1 116 116 MET CE C 13 18.192 0.000 . . . . . A 205 MET CE . 34003 1 1170 . 1 1 116 116 MET N N 15 118.701 0.000 . . . . . A 205 MET N . 34003 1 1171 . 1 1 117 117 MET H H 1 8.735 0.000 . . . . . A 206 MET H . 34003 1 1172 . 1 1 117 117 MET HA H 1 3.558 0.000 . . . . . A 206 MET HA . 34003 1 1173 . 1 1 117 117 MET HB2 H 1 1.970 0.000 . . . . . A 206 MET HB2 . 34003 1 1174 . 1 1 117 117 MET HB3 H 1 1.970 0.000 . . . . . A 206 MET HB3 . 34003 1 1175 . 1 1 117 117 MET HG2 H 1 1.591 0.000 . . . . . A 206 MET HG2 . 34003 1 1176 . 1 1 117 117 MET HG3 H 1 1.591 0.000 . . . . . A 206 MET HG3 . 34003 1 1177 . 1 1 117 117 MET HE1 H 1 1.306 0.000 . . . . . A 206 MET HE1 . 34003 1 1178 . 1 1 117 117 MET HE2 H 1 1.306 0.000 . . . . . A 206 MET HE2 . 34003 1 1179 . 1 1 117 117 MET HE3 H 1 1.306 0.000 . . . . . A 206 MET HE3 . 34003 1 1180 . 1 1 117 117 MET CA C 13 59.916 0.000 . . . . . A 206 MET CA . 34003 1 1181 . 1 1 117 117 MET CB C 13 33.761 0.000 . . . . . A 206 MET CB . 34003 1 1182 . 1 1 117 117 MET CG C 13 33.773 0.013 . . . . . A 206 MET CG . 34003 1 1183 . 1 1 117 117 MET CE C 13 15.868 0.000 . . . . . A 206 MET CE . 34003 1 1184 . 1 1 117 117 MET N N 15 118.351 0.000 . . . . . A 206 MET N . 34003 1 1185 . 1 1 118 118 GLU H H 1 8.447 0.000 . . . . . A 207 GLU H . 34003 1 1186 . 1 1 118 118 GLU HA H 1 3.657 0.000 . . . . . A 207 GLU HA . 34003 1 1187 . 1 1 118 118 GLU HB2 H 1 2.002 0.000 . . . . . A 207 GLU HB2 . 34003 1 1188 . 1 1 118 118 GLU HB3 H 1 2.203 0.000 . . . . . A 207 GLU HB3 . 34003 1 1189 . 1 1 118 118 GLU HG2 H 1 2.528 0.000 . . . . . A 207 GLU HG2 . 34003 1 1190 . 1 1 118 118 GLU HG3 H 1 2.528 0.000 . . . . . A 207 GLU HG3 . 34003 1 1191 . 1 1 118 118 GLU CA C 13 60.747 0.000 . . . . . A 207 GLU CA . 34003 1 1192 . 1 1 118 118 GLU CB C 13 28.713 0.014 . . . . . A 207 GLU CB . 34003 1 1193 . 1 1 118 118 GLU CG C 13 36.126 0.000 . . . . . A 207 GLU CG . 34003 1 1194 . 1 1 118 118 GLU N N 15 118.532 0.000 . . . . . A 207 GLU N . 34003 1 1195 . 1 1 119 119 ARG H H 1 7.294 0.000 . . . . . A 208 ARG H . 34003 1 1196 . 1 1 119 119 ARG HA H 1 4.228 0.000 . . . . . A 208 ARG HA . 34003 1 1197 . 1 1 119 119 ARG HB2 H 1 2.093 0.000 . . . . . A 208 ARG HB2 . 34003 1 1198 . 1 1 119 119 ARG HB3 H 1 1.948 0.000 . . . . . A 208 ARG HB3 . 34003 1 1199 . 1 1 119 119 ARG HG2 H 1 1.752 0.000 . . . . . A 208 ARG HG2 . 34003 1 1200 . 1 1 119 119 ARG HG3 H 1 1.837 0.000 . . . . . A 208 ARG HG3 . 34003 1 1201 . 1 1 119 119 ARG HD2 H 1 3.244 0.000 . . . . . A 208 ARG HD2 . 34003 1 1202 . 1 1 119 119 ARG HD3 H 1 3.149 0.000 . . . . . A 208 ARG HD3 . 34003 1 1203 . 1 1 119 119 ARG CA C 13 58.432 0.000 . . . . . A 208 ARG CA . 34003 1 1204 . 1 1 119 119 ARG CB C 13 30.006 0.008 . . . . . A 208 ARG CB . 34003 1 1205 . 1 1 119 119 ARG CG C 13 26.829 0.020 . . . . . A 208 ARG CG . 34003 1 1206 . 1 1 119 119 ARG CD C 13 42.495 0.002 . . . . . A 208 ARG CD . 34003 1 1207 . 1 1 119 119 ARG N N 15 116.872 0.000 . . . . . A 208 ARG N . 34003 1 1208 . 1 1 120 120 VAL H H 1 8.273 0.000 . . . . . A 209 VAL H . 34003 1 1209 . 1 1 120 120 VAL HA H 1 3.831 0.000 . . . . . A 209 VAL HA . 34003 1 1210 . 1 1 120 120 VAL HB H 1 2.324 0.000 . . . . . A 209 VAL HB . 34003 1 1211 . 1 1 120 120 VAL HG11 H 1 1.308 0.000 . . . . . A 209 VAL HG11 . 34003 1 1212 . 1 1 120 120 VAL HG12 H 1 1.308 0.000 . . . . . A 209 VAL HG12 . 34003 1 1213 . 1 1 120 120 VAL HG13 H 1 1.308 0.000 . . . . . A 209 VAL HG13 . 34003 1 1214 . 1 1 120 120 VAL HG21 H 1 1.278 0.000 . . . . . A 209 VAL HG21 . 34003 1 1215 . 1 1 120 120 VAL HG22 H 1 1.278 0.000 . . . . . A 209 VAL HG22 . 34003 1 1216 . 1 1 120 120 VAL HG23 H 1 1.278 0.000 . . . . . A 209 VAL HG23 . 34003 1 1217 . 1 1 120 120 VAL CA C 13 65.845 0.000 . . . . . A 209 VAL CA . 34003 1 1218 . 1 1 120 120 VAL CB C 13 32.171 0.000 . . . . . A 209 VAL CB . 34003 1 1219 . 1 1 120 120 VAL CG1 C 13 23.999 0.000 . . . . . A 209 VAL CG1 . 34003 1 1220 . 1 1 120 120 VAL CG2 C 13 20.829 0.000 . . . . . A 209 VAL CG2 . 34003 1 1221 . 1 1 120 120 VAL N N 15 119.102 0.000 . . . . . A 209 VAL N . 34003 1 1222 . 1 1 121 121 VAL H H 1 9.080 0.000 . . . . . A 210 VAL H . 34003 1 1223 . 1 1 121 121 VAL HA H 1 3.661 0.000 . . . . . A 210 VAL HA . 34003 1 1224 . 1 1 121 121 VAL HB H 1 2.271 0.000 . . . . . A 210 VAL HB . 34003 1 1225 . 1 1 121 121 VAL HG11 H 1 1.226 0.000 . . . . . A 210 VAL HG11 . 34003 1 1226 . 1 1 121 121 VAL HG12 H 1 1.226 0.000 . . . . . A 210 VAL HG12 . 34003 1 1227 . 1 1 121 121 VAL HG13 H 1 1.226 0.000 . . . . . A 210 VAL HG13 . 34003 1 1228 . 1 1 121 121 VAL HG21 H 1 0.959 0.000 . . . . . A 210 VAL HG21 . 34003 1 1229 . 1 1 121 121 VAL HG22 H 1 0.959 0.000 . . . . . A 210 VAL HG22 . 34003 1 1230 . 1 1 121 121 VAL HG23 H 1 0.959 0.000 . . . . . A 210 VAL HG23 . 34003 1 1231 . 1 1 121 121 VAL CA C 13 66.372 0.000 . . . . . A 210 VAL CA . 34003 1 1232 . 1 1 121 121 VAL CB C 13 31.067 0.000 . . . . . A 210 VAL CB . 34003 1 1233 . 1 1 121 121 VAL CG1 C 13 24.842 0.000 . . . . . A 210 VAL CG1 . 34003 1 1234 . 1 1 121 121 VAL CG2 C 13 21.757 0.000 . . . . . A 210 VAL CG2 . 34003 1 1235 . 1 1 121 121 VAL N N 15 121.363 0.000 . . . . . A 210 VAL N . 34003 1 1236 . 1 1 122 122 GLU H H 1 8.042 0.000 . . . . . A 211 GLU H . 34003 1 1237 . 1 1 122 122 GLU HA H 1 3.597 0.000 . . . . . A 211 GLU HA . 34003 1 1238 . 1 1 122 122 GLU HB2 H 1 2.060 0.000 . . . . . A 211 GLU HB2 . 34003 1 1239 . 1 1 122 122 GLU HB3 H 1 2.113 0.000 . . . . . A 211 GLU HB3 . 34003 1 1240 . 1 1 122 122 GLU HG2 H 1 1.573 0.000 . . . . . A 211 GLU HG2 . 34003 1 1241 . 1 1 122 122 GLU HG3 H 1 2.118 0.000 . . . . . A 211 GLU HG3 . 34003 1 1242 . 1 1 122 122 GLU CA C 13 61.151 0.000 . . . . . A 211 GLU CA . 34003 1 1243 . 1 1 122 122 GLU CB C 13 29.059 0.048 . . . . . A 211 GLU CB . 34003 1 1244 . 1 1 122 122 GLU CG C 13 36.302 0.184 . . . . . A 211 GLU CG . 34003 1 1245 . 1 1 122 122 GLU N N 15 120.574 0.000 . . . . . A 211 GLU N . 34003 1 1246 . 1 1 123 123 GLN H H 1 7.162 0.000 . . . . . A 212 GLN H . 34003 1 1247 . 1 1 123 123 GLN HA H 1 3.976 0.000 . . . . . A 212 GLN HA . 34003 1 1248 . 1 1 123 123 GLN HB2 H 1 2.219 0.000 . . . . . A 212 GLN HB2 . 34003 1 1249 . 1 1 123 123 GLN HB3 H 1 2.136 0.000 . . . . . A 212 GLN HB3 . 34003 1 1250 . 1 1 123 123 GLN HG2 H 1 2.441 0.000 . . . . . A 212 GLN HG2 . 34003 1 1251 . 1 1 123 123 GLN HG3 H 1 2.468 0.000 . . . . . A 212 GLN HG3 . 34003 1 1252 . 1 1 123 123 GLN HE21 H 1 7.547 0.000 . . . . . A 212 GLN HE21 . 34003 1 1253 . 1 1 123 123 GLN HE22 H 1 6.872 0.000 . . . . . A 212 GLN HE22 . 34003 1 1254 . 1 1 123 123 GLN CA C 13 59.190 0.000 . . . . . A 212 GLN CA . 34003 1 1255 . 1 1 123 123 GLN CB C 13 27.935 0.008 . . . . . A 212 GLN CB . 34003 1 1256 . 1 1 123 123 GLN CG C 13 33.678 0.003 . . . . . A 212 GLN CG . 34003 1 1257 . 1 1 123 123 GLN N N 15 114.918 0.000 . . . . . A 212 GLN N . 34003 1 1258 . 1 1 123 123 GLN NE2 N 15 113.150 0.002 . . . . . A 212 GLN NE2 . 34003 1 1259 . 1 1 124 124 MET H H 1 8.232 0.000 . . . . . A 213 MET H . 34003 1 1260 . 1 1 124 124 MET HA H 1 4.155 0.000 . . . . . A 213 MET HA . 34003 1 1261 . 1 1 124 124 MET HB2 H 1 2.153 0.000 . . . . . A 213 MET HB2 . 34003 1 1262 . 1 1 124 124 MET HB3 H 1 2.154 0.000 . . . . . A 213 MET HB3 . 34003 1 1263 . 1 1 124 124 MET HG2 H 1 2.812 0.000 . . . . . A 213 MET HG2 . 34003 1 1264 . 1 1 124 124 MET HG3 H 1 2.812 0.000 . . . . . A 213 MET HG3 . 34003 1 1265 . 1 1 124 124 MET HE1 H 1 1.882 0.000 . . . . . A 213 MET HE1 . 34003 1 1266 . 1 1 124 124 MET HE2 H 1 1.882 0.000 . . . . . A 213 MET HE2 . 34003 1 1267 . 1 1 124 124 MET HE3 H 1 1.882 0.000 . . . . . A 213 MET HE3 . 34003 1 1268 . 1 1 124 124 MET CA C 13 59.969 0.000 . . . . . A 213 MET CA . 34003 1 1269 . 1 1 124 124 MET CB C 13 34.369 0.002 . . . . . A 213 MET CB . 34003 1 1270 . 1 1 124 124 MET CG C 13 32.317 0.000 . . . . . A 213 MET CG . 34003 1 1271 . 1 1 124 124 MET CE C 13 16.550 0.000 . . . . . A 213 MET CE . 34003 1 1272 . 1 1 124 124 MET N N 15 119.434 0.000 . . . . . A 213 MET N . 34003 1 1273 . 1 1 125 125 CYS H H 1 9.220 0.000 . . . . . A 214 CYS H . 34003 1 1274 . 1 1 125 125 CYS HA H 1 4.414 0.000 . . . . . A 214 CYS HA . 34003 1 1275 . 1 1 125 125 CYS HB2 H 1 3.535 0.000 . . . . . A 214 CYS HB2 . 34003 1 1276 . 1 1 125 125 CYS HB3 H 1 3.535 0.000 . . . . . A 214 CYS HB3 . 34003 1 1277 . 1 1 125 125 CYS CA C 13 59.898 0.000 . . . . . A 214 CYS CA . 34003 1 1278 . 1 1 125 125 CYS CB C 13 41.992 0.000 . . . . . A 214 CYS CB . 34003 1 1279 . 1 1 125 125 CYS N N 15 119.360 0.000 . . . . . A 214 CYS N . 34003 1 1280 . 1 1 126 126 ILE H H 1 8.317 0.000 . . . . . A 215 ILE H . 34003 1 1281 . 1 1 126 126 ILE HA H 1 3.592 0.000 . . . . . A 215 ILE HA . 34003 1 1282 . 1 1 126 126 ILE HB H 1 2.019 0.000 . . . . . A 215 ILE HB . 34003 1 1283 . 1 1 126 126 ILE HG12 H 1 0.877 0.000 . . . . . A 215 ILE HG12 . 34003 1 1284 . 1 1 126 126 ILE HG13 H 1 0.852 0.000 . . . . . A 215 ILE HG13 . 34003 1 1285 . 1 1 126 126 ILE HG21 H 1 0.906 0.000 . . . . . A 215 ILE HG21 . 34003 1 1286 . 1 1 126 126 ILE HG22 H 1 0.906 0.000 . . . . . A 215 ILE HG22 . 34003 1 1287 . 1 1 126 126 ILE HG23 H 1 0.906 0.000 . . . . . A 215 ILE HG23 . 34003 1 1288 . 1 1 126 126 ILE HD11 H 1 0.849 0.000 . . . . . A 215 ILE HD11 . 34003 1 1289 . 1 1 126 126 ILE HD12 H 1 0.849 0.000 . . . . . A 215 ILE HD12 . 34003 1 1290 . 1 1 126 126 ILE HD13 H 1 0.849 0.000 . . . . . A 215 ILE HD13 . 34003 1 1291 . 1 1 126 126 ILE CA C 13 66.691 0.000 . . . . . A 215 ILE CA . 34003 1 1292 . 1 1 126 126 ILE CB C 13 38.074 0.000 . . . . . A 215 ILE CB . 34003 1 1293 . 1 1 126 126 ILE CG1 C 13 30.942 0.012 . . . . . A 215 ILE CG1 . 34003 1 1294 . 1 1 126 126 ILE CG2 C 13 17.209 0.000 . . . . . A 215 ILE CG2 . 34003 1 1295 . 1 1 126 126 ILE CD1 C 13 14.017 0.000 . . . . . A 215 ILE CD1 . 34003 1 1296 . 1 1 126 126 ILE N N 15 123.987 0.000 . . . . . A 215 ILE N . 34003 1 1297 . 1 1 127 127 THR H H 1 8.110 0.000 . . . . . A 216 THR H . 34003 1 1298 . 1 1 127 127 THR HA H 1 3.964 0.000 . . . . . A 216 THR HA . 34003 1 1299 . 1 1 127 127 THR HB H 1 4.317 0.000 . . . . . A 216 THR HB . 34003 1 1300 . 1 1 127 127 THR HG21 H 1 1.229 0.000 . . . . . A 216 THR HG21 . 34003 1 1301 . 1 1 127 127 THR HG22 H 1 1.229 0.000 . . . . . A 216 THR HG22 . 34003 1 1302 . 1 1 127 127 THR HG23 H 1 1.229 0.000 . . . . . A 216 THR HG23 . 34003 1 1303 . 1 1 127 127 THR CA C 13 67.112 0.000 . . . . . A 216 THR CA . 34003 1 1304 . 1 1 127 127 THR CB C 13 68.201 0.000 . . . . . A 216 THR CB . 34003 1 1305 . 1 1 127 127 THR CG2 C 13 21.977 0.000 . . . . . A 216 THR CG2 . 34003 1 1306 . 1 1 127 127 THR N N 15 118.767 0.000 . . . . . A 216 THR N . 34003 1 1307 . 1 1 128 128 GLN H H 1 8.736 0.000 . . . . . A 217 GLN H . 34003 1 1308 . 1 1 128 128 GLN HA H 1 3.646 0.000 . . . . . A 217 GLN HA . 34003 1 1309 . 1 1 128 128 GLN HB2 H 1 2.114 0.000 . . . . . A 217 GLN HB2 . 34003 1 1310 . 1 1 128 128 GLN HB3 H 1 2.286 0.000 . . . . . A 217 GLN HB3 . 34003 1 1311 . 1 1 128 128 GLN HG2 H 1 2.234 0.000 . . . . . A 217 GLN HG2 . 34003 1 1312 . 1 1 128 128 GLN HG3 H 1 2.225 0.000 . . . . . A 217 GLN HG3 . 34003 1 1313 . 1 1 128 128 GLN HE21 H 1 7.282 0.000 . . . . . A 217 GLN HE21 . 34003 1 1314 . 1 1 128 128 GLN HE22 H 1 6.836 0.000 . . . . . A 217 GLN HE22 . 34003 1 1315 . 1 1 128 128 GLN CA C 13 58.604 0.000 . . . . . A 217 GLN CA . 34003 1 1316 . 1 1 128 128 GLN CB C 13 28.084 0.017 . . . . . A 217 GLN CB . 34003 1 1317 . 1 1 128 128 GLN CG C 13 32.284 0.000 . . . . . A 217 GLN CG . 34003 1 1318 . 1 1 128 128 GLN N N 15 122.303 0.000 . . . . . A 217 GLN N . 34003 1 1319 . 1 1 128 128 GLN NE2 N 15 115.703 0.000 . . . . . A 217 GLN NE2 . 34003 1 1320 . 1 1 129 129 TYR H H 1 8.613 0.000 . . . . . A 218 TYR H . 34003 1 1321 . 1 1 129 129 TYR HA H 1 2.957 0.000 . . . . . A 218 TYR HA . 34003 1 1322 . 1 1 129 129 TYR HB2 H 1 2.733 0.000 . . . . . A 218 TYR HB2 . 34003 1 1323 . 1 1 129 129 TYR HB3 H 1 3.103 0.000 . . . . . A 218 TYR HB3 . 34003 1 1324 . 1 1 129 129 TYR HD1 H 1 6.218 0.000 . . . . . A 218 TYR HD1 . 34003 1 1325 . 1 1 129 129 TYR HD2 H 1 6.218 0.000 . . . . . A 218 TYR HD2 . 34003 1 1326 . 1 1 129 129 TYR HE1 H 1 6.519 0.000 . . . . . A 218 TYR HE1 . 34003 1 1327 . 1 1 129 129 TYR HE2 H 1 6.519 0.000 . . . . . A 218 TYR HE2 . 34003 1 1328 . 1 1 129 129 TYR CA C 13 62.050 0.000 . . . . . A 218 TYR CA . 34003 1 1329 . 1 1 129 129 TYR CB C 13 36.997 0.008 . . . . . A 218 TYR CB . 34003 1 1330 . 1 1 129 129 TYR CD1 C 13 132.532 0.000 . . . . . A 218 TYR CD1 . 34003 1 1331 . 1 1 129 129 TYR CD2 C 13 132.532 0.000 . . . . . A 218 TYR CD2 . 34003 1 1332 . 1 1 129 129 TYR CE1 C 13 117.843 0.000 . . . . . A 218 TYR CE1 . 34003 1 1333 . 1 1 129 129 TYR CE2 C 13 117.843 0.000 . . . . . A 218 TYR CE2 . 34003 1 1334 . 1 1 129 129 TYR N N 15 121.422 0.000 . . . . . A 218 TYR N . 34003 1 1335 . 1 1 130 130 GLU H H 1 8.298 0.000 . . . . . A 219 GLU H . 34003 1 1336 . 1 1 130 130 GLU HA H 1 3.724 0.000 . . . . . A 219 GLU HA . 34003 1 1337 . 1 1 130 130 GLU HB2 H 1 2.327 0.000 . . . . . A 219 GLU HB2 . 34003 1 1338 . 1 1 130 130 GLU HB3 H 1 2.064 0.000 . . . . . A 219 GLU HB3 . 34003 1 1339 . 1 1 130 130 GLU HG2 H 1 2.315 0.000 . . . . . A 219 GLU HG2 . 34003 1 1340 . 1 1 130 130 GLU HG3 H 1 2.573 0.000 . . . . . A 219 GLU HG3 . 34003 1 1341 . 1 1 130 130 GLU CA C 13 59.686 0.000 . . . . . A 219 GLU CA . 34003 1 1342 . 1 1 130 130 GLU CB C 13 28.724 0.007 . . . . . A 219 GLU CB . 34003 1 1343 . 1 1 130 130 GLU CG C 13 35.856 0.018 . . . . . A 219 GLU CG . 34003 1 1344 . 1 1 130 130 GLU N N 15 121.144 0.000 . . . . . A 219 GLU N . 34003 1 1345 . 1 1 131 131 ARG H H 1 7.904 0.000 . . . . . A 220 ARG H . 34003 1 1346 . 1 1 131 131 ARG HA H 1 3.993 0.000 . . . . . A 220 ARG HA . 34003 1 1347 . 1 1 131 131 ARG HB2 H 1 1.954 0.000 . . . . . A 220 ARG HB2 . 34003 1 1348 . 1 1 131 131 ARG HB3 H 1 1.858 0.000 . . . . . A 220 ARG HB3 . 34003 1 1349 . 1 1 131 131 ARG HG2 H 1 1.829 0.000 . . . . . A 220 ARG HG2 . 34003 1 1350 . 1 1 131 131 ARG HG3 H 1 1.607 0.000 . . . . . A 220 ARG HG3 . 34003 1 1351 . 1 1 131 131 ARG HD2 H 1 2.935 0.000 . . . . . A 220 ARG HD2 . 34003 1 1352 . 1 1 131 131 ARG HD3 H 1 3.086 0.000 . . . . . A 220 ARG HD3 . 34003 1 1353 . 1 1 131 131 ARG CA C 13 59.543 0.000 . . . . . A 220 ARG CA . 34003 1 1354 . 1 1 131 131 ARG CB C 13 30.262 0.000 . . . . . A 220 ARG CB . 34003 1 1355 . 1 1 131 131 ARG CG C 13 26.933 0.001 . . . . . A 220 ARG CG . 34003 1 1356 . 1 1 131 131 ARG CD C 13 43.957 0.005 . . . . . A 220 ARG CD . 34003 1 1357 . 1 1 131 131 ARG N N 15 119.184 0.000 . . . . . A 220 ARG N . 34003 1 1358 . 1 1 132 132 GLU H H 1 8.500 0.000 . . . . . A 221 GLU H . 34003 1 1359 . 1 1 132 132 GLU HA H 1 4.025 0.000 . . . . . A 221 GLU HA . 34003 1 1360 . 1 1 132 132 GLU HB2 H 1 1.857 0.000 . . . . . A 221 GLU HB2 . 34003 1 1361 . 1 1 132 132 GLU HB3 H 1 1.953 0.000 . . . . . A 221 GLU HB3 . 34003 1 1362 . 1 1 132 132 GLU HG2 H 1 2.183 0.000 . . . . . A 221 GLU HG2 . 34003 1 1363 . 1 1 132 132 GLU HG3 H 1 2.369 0.000 . . . . . A 221 GLU HG3 . 34003 1 1364 . 1 1 132 132 GLU CA C 13 57.992 0.000 . . . . . A 221 GLU CA . 34003 1 1365 . 1 1 132 132 GLU CB C 13 29.194 0.005 . . . . . A 221 GLU CB . 34003 1 1366 . 1 1 132 132 GLU CG C 13 36.661 0.018 . . . . . A 221 GLU CG . 34003 1 1367 . 1 1 132 132 GLU N N 15 119.320 0.000 . . . . . A 221 GLU N . 34003 1 1368 . 1 1 133 133 SER H H 1 8.562 0.000 . . . . . A 222 SER H . 34003 1 1369 . 1 1 133 133 SER HA H 1 3.869 0.000 . . . . . A 222 SER HA . 34003 1 1370 . 1 1 133 133 SER HB2 H 1 3.585 0.000 . . . . . A 222 SER HB2 . 34003 1 1371 . 1 1 133 133 SER HB3 H 1 3.399 0.000 . . . . . A 222 SER HB3 . 34003 1 1372 . 1 1 133 133 SER CA C 13 61.592 0.000 . . . . . A 222 SER CA . 34003 1 1373 . 1 1 133 133 SER CB C 13 62.321 0.003 . . . . . A 222 SER CB . 34003 1 1374 . 1 1 133 133 SER N N 15 116.189 0.000 . . . . . A 222 SER N . 34003 1 1375 . 1 1 134 134 GLN H H 1 7.647 0.000 . . . . . A 223 GLN H . 34003 1 1376 . 1 1 134 134 GLN HA H 1 4.088 0.000 . . . . . A 223 GLN HA . 34003 1 1377 . 1 1 134 134 GLN HB2 H 1 2.075 0.000 . . . . . A 223 GLN HB2 . 34003 1 1378 . 1 1 134 134 GLN HB3 H 1 2.076 0.000 . . . . . A 223 GLN HB3 . 34003 1 1379 . 1 1 134 134 GLN HG2 H 1 2.411 0.000 . . . . . A 223 GLN HG2 . 34003 1 1380 . 1 1 134 134 GLN HG3 H 1 2.511 0.000 . . . . . A 223 GLN HG3 . 34003 1 1381 . 1 1 134 134 GLN HE21 H 1 6.793 0.000 . . . . . A 223 GLN HE21 . 34003 1 1382 . 1 1 134 134 GLN HE22 H 1 7.481 0.000 . . . . . A 223 GLN HE22 . 34003 1 1383 . 1 1 134 134 GLN CA C 13 58.357 0.000 . . . . . A 223 GLN CA . 34003 1 1384 . 1 1 134 134 GLN CB C 13 28.134 0.004 . . . . . A 223 GLN CB . 34003 1 1385 . 1 1 134 134 GLN CG C 13 33.766 0.018 . . . . . A 223 GLN CG . 34003 1 1386 . 1 1 134 134 GLN N N 15 120.673 0.000 . . . . . A 223 GLN N . 34003 1 1387 . 1 1 134 134 GLN NE2 N 15 111.771 0.000 . . . . . A 223 GLN NE2 . 34003 1 1388 . 1 1 135 135 ALA H H 1 7.441 0.000 . . . . . A 224 ALA H . 34003 1 1389 . 1 1 135 135 ALA HA H 1 4.175 0.000 . . . . . A 224 ALA HA . 34003 1 1390 . 1 1 135 135 ALA HB1 H 1 1.431 0.000 . . . . . A 224 ALA HB1 . 34003 1 1391 . 1 1 135 135 ALA HB2 H 1 1.431 0.000 . . . . . A 224 ALA HB2 . 34003 1 1392 . 1 1 135 135 ALA HB3 H 1 1.431 0.000 . . . . . A 224 ALA HB3 . 34003 1 1393 . 1 1 135 135 ALA CA C 13 53.983 0.000 . . . . . A 224 ALA CA . 34003 1 1394 . 1 1 135 135 ALA CB C 13 18.418 0.000 . . . . . A 224 ALA CB . 34003 1 1395 . 1 1 135 135 ALA N N 15 121.088 0.000 . . . . . A 224 ALA N . 34003 1 1396 . 1 1 136 136 TYR H H 1 8.224 0.000 . . . . . A 225 TYR H . 34003 1 1397 . 1 1 136 136 TYR HA H 1 4.180 0.000 . . . . . A 225 TYR HA . 34003 1 1398 . 1 1 136 136 TYR HB2 H 1 2.707 0.000 . . . . . A 225 TYR HB2 . 34003 1 1399 . 1 1 136 136 TYR HB3 H 1 2.993 0.000 . . . . . A 225 TYR HB3 . 34003 1 1400 . 1 1 136 136 TYR HD1 H 1 6.477 0.000 . . . . . A 225 TYR HD1 . 34003 1 1401 . 1 1 136 136 TYR HD2 H 1 6.481 0.000 . . . . . A 225 TYR HD2 . 34003 1 1402 . 1 1 136 136 TYR HE1 H 1 7.129 0.000 . . . . . A 225 TYR HE1 . 34003 1 1403 . 1 1 136 136 TYR HE2 H 1 7.126 0.000 . . . . . A 225 TYR HE2 . 34003 1 1404 . 1 1 136 136 TYR CA C 13 60.720 0.000 . . . . . A 225 TYR CA . 34003 1 1405 . 1 1 136 136 TYR CB C 13 39.382 0.026 . . . . . A 225 TYR CB . 34003 1 1406 . 1 1 136 136 TYR CD1 C 13 133.030 0.000 . . . . . A 225 TYR CD1 . 34003 1 1407 . 1 1 136 136 TYR CD2 C 13 133.035 0.000 . . . . . A 225 TYR CD2 . 34003 1 1408 . 1 1 136 136 TYR CE1 C 13 119.910 0.000 . . . . . A 225 TYR CE1 . 34003 1 1409 . 1 1 136 136 TYR CE2 C 13 119.754 0.000 . . . . . A 225 TYR CE2 . 34003 1 1410 . 1 1 136 136 TYR N N 15 120.014 0.000 . . . . . A 225 TYR N . 34003 1 1411 . 1 1 137 137 TYR H H 1 8.319 0.000 . . . . . A 226 TYR H . 34003 1 1412 . 1 1 137 137 TYR HA H 1 4.391 0.000 . . . . . A 226 TYR HA . 34003 1 1413 . 1 1 137 137 TYR HB2 H 1 3.146 0.000 . . . . . A 226 TYR HB2 . 34003 1 1414 . 1 1 137 137 TYR HB3 H 1 2.909 0.000 . . . . . A 226 TYR HB3 . 34003 1 1415 . 1 1 137 137 TYR HD1 H 1 7.131 0.000 . . . . . A 226 TYR HD1 . 34003 1 1416 . 1 1 137 137 TYR HD2 H 1 7.132 0.000 . . . . . A 226 TYR HD2 . 34003 1 1417 . 1 1 137 137 TYR HE1 H 1 6.750 0.000 . . . . . A 226 TYR HE1 . 34003 1 1418 . 1 1 137 137 TYR HE2 H 1 6.750 0.000 . . . . . A 226 TYR HE2 . 34003 1 1419 . 1 1 137 137 TYR CA C 13 59.472 0.000 . . . . . A 226 TYR CA . 34003 1 1420 . 1 1 137 137 TYR CB C 13 37.815 0.015 . . . . . A 226 TYR CB . 34003 1 1421 . 1 1 137 137 TYR CD1 C 13 133.249 0.000 . . . . . A 226 TYR CD1 . 34003 1 1422 . 1 1 137 137 TYR CD2 C 13 133.182 0.000 . . . . . A 226 TYR CD2 . 34003 1 1423 . 1 1 137 137 TYR CE1 C 13 118.054 0.000 . . . . . A 226 TYR CE1 . 34003 1 1424 . 1 1 137 137 TYR CE2 C 13 118.096 0.000 . . . . . A 226 TYR CE2 . 34003 1 1425 . 1 1 137 137 TYR N N 15 118.273 0.000 . . . . . A 226 TYR N . 34003 1 1426 . 1 1 138 138 GLY H H 1 7.838 0.000 . . . . . A 227 GLY H . 34003 1 1427 . 1 1 138 138 GLY HA2 H 1 3.966 0.000 . . . . . A 227 GLY HA2 . 34003 1 1428 . 1 1 138 138 GLY HA3 H 1 3.906 0.000 . . . . . A 227 GLY HA3 . 34003 1 1429 . 1 1 138 138 GLY CA C 13 45.962 0.000 . . . . . A 227 GLY CA . 34003 1 1430 . 1 1 138 138 GLY N N 15 108.094 0.000 . . . . . A 227 GLY N . 34003 1 1431 . 1 1 139 139 GLY H H 1 7.838 0.000 . . . . . A 228 GLY H . 34003 1 1432 . 1 1 139 139 GLY HA2 H 1 3.904 0.000 . . . . . A 228 GLY HA2 . 34003 1 1433 . 1 1 139 139 GLY HA3 H 1 3.904 0.000 . . . . . A 228 GLY HA3 . 34003 1 1434 . 1 1 139 139 GLY CA C 13 45.073 0.000 . . . . . A 228 GLY CA . 34003 1 1435 . 1 1 139 139 GLY N N 15 107.249 0.000 . . . . . A 228 GLY N . 34003 1 stop_ save_