data_25251 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25251 _Entry.Title ; Solution structure of Ovis Aries PrP with mutation delta193-196 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-09-25 _Entry.Accession_date 2014-09-25 _Entry.Last_release_date 2015-10-05 _Entry.Original_release_date 2015-10-05 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.81 _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.Entry_ID 1 Carola Munoz . . . 25251 2 Angelique Egalon . . . 25251 3 Vincent Beringue . . . 25251 4 Human Rezaei . . . 25251 5 Michel Dron . . . 25251 6 Christina Sizun . . . 25251 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 25251 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . INRA . 25251 2 . CNRS . 25251 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'cellular form' . 25251 'deletion mutant' . 25251 'helix 2' . 25251 'major prion protein' . 25251 prion . 25251 scrapie . 25251 'transmissible spongiform encephalopathy' . 25251 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25251 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 138 25251 '15N chemical shifts' 146 25251 '1H chemical shifts' 786 25251 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2015-10-05 . original BMRB . 25251 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 25250 PrPdelta190-197 25251 GB AJ000738.1 . 25251 GB CAA04276.1 . 25251 PDB 2MV9 'BMRB entry-tracking system' 25251 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25251 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Conversion ability of prion protein helix 2 deletion mutants ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Carola Munoz . . . 25251 1 2 Christina Sizun . . . 25251 1 3 Angelique Egalon . . . 25251 1 4 Vincent Beringue . . . 25251 1 5 Human Rezaei . . . 25251 1 6 Michel Dron . . . 25251 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25251 _Assembly.ID 1 _Assembly.Name PrPdelta193-196 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds yes _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all disulfide bound' _Assembly.Molecular_mass 17123.1885 _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 $entity A . yes native yes no . . . 25251 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 102 102 SG . 1 . 1 CYS 133 133 SG . . . . . . . . . . 25251 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 25251 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name PrPdelta193-196 _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 ; MGSSHHHHHHSSGLVPRGSH MSNKPSKPKTNMKHVAGAAA AGAVVGGLGGYMLGSVMSRP LIHFGNDYEDRYYRENMYRY PNQVYYRPVDQYSNQNNFVH DCVNITVKQHTVKGENFTET DIKIMERVVEQMCITQYQRE SQAYYQRGAS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 150 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment 'residues 103-234' _Entity.Mutation delta193-196 _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 17123.1885 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes GenBank CAA04276 . PrP . . . . . . . . . . . . . . 25251 1 2 yes GB AJ000738.1 . PrP . . . . . . . . . . . . . . 25251 1 3 no BMRB 25250 . PrPdelta190-197 . . . . . 100.00 146 97.33 97.33 1.10e-101 . . . . 25251 1 4 no EMBL CAA04276 . "Prion protein [Ovis aries]" . . . . . 88.00 256 96.97 96.97 1.15e-71 . . . . 25251 1 5 no EMBL CAE00190 . "prion protein [Ovis aries]" . . . . . 88.00 256 96.97 96.97 1.15e-71 . . . . 25251 1 6 no GB AAW88332 . "PRNP [Ovis aries]" . . . . . 88.00 256 96.97 96.97 1.15e-71 . . . . 25251 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 . MET . 25251 1 2 82 GLY . 25251 1 3 83 SER . 25251 1 4 84 SER . 25251 1 5 85 HIS . 25251 1 6 86 HIS . 25251 1 7 87 HIS . 25251 1 8 88 HIS . 25251 1 9 89 HIS . 25251 1 10 90 HIS . 25251 1 11 91 SER . 25251 1 12 92 SER . 25251 1 13 93 GLY . 25251 1 14 94 LEU . 25251 1 15 95 VAL . 25251 1 16 96 PRO . 25251 1 17 97 ARG . 25251 1 18 98 GLY . 25251 1 19 99 SER . 25251 1 20 100 HIS . 25251 1 21 101 MET . 25251 1 22 102 SER . 25251 1 23 103 ASN . 25251 1 24 104 LYS . 25251 1 25 105 PRO . 25251 1 26 106 SER . 25251 1 27 107 LYS . 25251 1 28 108 PRO . 25251 1 29 109 LYS . 25251 1 30 110 THR . 25251 1 31 111 ASN . 25251 1 32 112 MET . 25251 1 33 113 LYS . 25251 1 34 114 HIS . 25251 1 35 115 VAL . 25251 1 36 116 ALA . 25251 1 37 117 GLY . 25251 1 38 118 ALA . 25251 1 39 119 ALA . 25251 1 40 120 ALA . 25251 1 41 121 ALA . 25251 1 42 122 GLY . 25251 1 43 123 ALA . 25251 1 44 124 VAL . 25251 1 45 125 VAL . 25251 1 46 126 GLY . 25251 1 47 127 GLY . 25251 1 48 128 LEU . 25251 1 49 129 GLY . 25251 1 50 130 GLY . 25251 1 51 131 TYR . 25251 1 52 132 MET . 25251 1 53 133 LEU . 25251 1 54 134 GLY . 25251 1 55 135 SER . 25251 1 56 136 VAL . 25251 1 57 137 MET . 25251 1 58 138 SER . 25251 1 59 139 ARG . 25251 1 60 140 PRO . 25251 1 61 141 LEU . 25251 1 62 142 ILE . 25251 1 63 143 HIS . 25251 1 64 144 PHE . 25251 1 65 145 GLY . 25251 1 66 146 ASN . 25251 1 67 147 ASP . 25251 1 68 148 TYR . 25251 1 69 149 GLU . 25251 1 70 150 ASP . 25251 1 71 151 ARG . 25251 1 72 152 TYR . 25251 1 73 153 TYR . 25251 1 74 154 ARG . 25251 1 75 155 GLU . 25251 1 76 156 ASN . 25251 1 77 157 MET . 25251 1 78 158 TYR . 25251 1 79 159 ARG . 25251 1 80 160 TYR . 25251 1 81 161 PRO . 25251 1 82 162 ASN . 25251 1 83 163 GLN . 25251 1 84 164 VAL . 25251 1 85 165 TYR . 25251 1 86 166 TYR . 25251 1 87 167 ARG . 25251 1 88 168 PRO . 25251 1 89 169 VAL . 25251 1 90 170 ASP . 25251 1 91 171 GLN . 25251 1 92 172 TYR . 25251 1 93 173 SER . 25251 1 94 174 ASN . 25251 1 95 175 GLN . 25251 1 96 176 ASN . 25251 1 97 177 ASN . 25251 1 98 178 PHE . 25251 1 99 179 VAL . 25251 1 100 180 HIS . 25251 1 101 181 ASP . 25251 1 102 182 CYS . 25251 1 103 183 VAL . 25251 1 104 184 ASN . 25251 1 105 185 ILE . 25251 1 106 186 THR . 25251 1 107 187 VAL . 25251 1 108 188 LYS . 25251 1 109 189 GLN . 25251 1 110 190 HIS . 25251 1 111 191 THR . 25251 1 112 192 VAL . 25251 1 113 193 LYS . 25251 1 114 194 GLY . 25251 1 115 195 GLU . 25251 1 116 196 ASN . 25251 1 117 197 PHE . 25251 1 118 198 THR . 25251 1 119 199 GLU . 25251 1 120 200 THR . 25251 1 121 201 ASP . 25251 1 122 202 ILE . 25251 1 123 203 LYS . 25251 1 124 204 ILE . 25251 1 125 205 MET . 25251 1 126 206 GLU . 25251 1 127 207 ARG . 25251 1 128 208 VAL . 25251 1 129 209 VAL . 25251 1 130 210 GLU . 25251 1 131 211 GLN . 25251 1 132 212 MET . 25251 1 133 213 CYS . 25251 1 134 214 ILE . 25251 1 135 215 THR . 25251 1 136 216 GLN . 25251 1 137 217 TYR . 25251 1 138 218 GLN . 25251 1 139 219 ARG . 25251 1 140 220 GLU . 25251 1 141 221 SER . 25251 1 142 222 GLN . 25251 1 143 223 ALA . 25251 1 144 224 TYR . 25251 1 145 225 TYR . 25251 1 146 226 GLN . 25251 1 147 227 ARG . 25251 1 148 228 GLY . 25251 1 149 229 ALA . 25251 1 150 230 SER . 25251 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 25251 1 . GLY 2 2 25251 1 . SER 3 3 25251 1 . SER 4 4 25251 1 . HIS 5 5 25251 1 . HIS 6 6 25251 1 . HIS 7 7 25251 1 . HIS 8 8 25251 1 . HIS 9 9 25251 1 . HIS 10 10 25251 1 . SER 11 11 25251 1 . SER 12 12 25251 1 . GLY 13 13 25251 1 . LEU 14 14 25251 1 . VAL 15 15 25251 1 . PRO 16 16 25251 1 . ARG 17 17 25251 1 . GLY 18 18 25251 1 . SER 19 19 25251 1 . HIS 20 20 25251 1 . MET 21 21 25251 1 . SER 22 22 25251 1 . ASN 23 23 25251 1 . LYS 24 24 25251 1 . PRO 25 25 25251 1 . SER 26 26 25251 1 . LYS 27 27 25251 1 . PRO 28 28 25251 1 . LYS 29 29 25251 1 . THR 30 30 25251 1 . ASN 31 31 25251 1 . MET 32 32 25251 1 . LYS 33 33 25251 1 . HIS 34 34 25251 1 . VAL 35 35 25251 1 . ALA 36 36 25251 1 . GLY 37 37 25251 1 . ALA 38 38 25251 1 . ALA 39 39 25251 1 . ALA 40 40 25251 1 . ALA 41 41 25251 1 . GLY 42 42 25251 1 . ALA 43 43 25251 1 . VAL 44 44 25251 1 . VAL 45 45 25251 1 . GLY 46 46 25251 1 . GLY 47 47 25251 1 . LEU 48 48 25251 1 . GLY 49 49 25251 1 . GLY 50 50 25251 1 . TYR 51 51 25251 1 . MET 52 52 25251 1 . LEU 53 53 25251 1 . GLY 54 54 25251 1 . SER 55 55 25251 1 . VAL 56 56 25251 1 . MET 57 57 25251 1 . SER 58 58 25251 1 . ARG 59 59 25251 1 . PRO 60 60 25251 1 . LEU 61 61 25251 1 . ILE 62 62 25251 1 . HIS 63 63 25251 1 . PHE 64 64 25251 1 . GLY 65 65 25251 1 . ASN 66 66 25251 1 . ASP 67 67 25251 1 . TYR 68 68 25251 1 . GLU 69 69 25251 1 . ASP 70 70 25251 1 . ARG 71 71 25251 1 . TYR 72 72 25251 1 . TYR 73 73 25251 1 . ARG 74 74 25251 1 . GLU 75 75 25251 1 . ASN 76 76 25251 1 . MET 77 77 25251 1 . TYR 78 78 25251 1 . ARG 79 79 25251 1 . TYR 80 80 25251 1 . PRO 81 81 25251 1 . ASN 82 82 25251 1 . GLN 83 83 25251 1 . VAL 84 84 25251 1 . TYR 85 85 25251 1 . TYR 86 86 25251 1 . ARG 87 87 25251 1 . PRO 88 88 25251 1 . VAL 89 89 25251 1 . ASP 90 90 25251 1 . GLN 91 91 25251 1 . TYR 92 92 25251 1 . SER 93 93 25251 1 . ASN 94 94 25251 1 . GLN 95 95 25251 1 . ASN 96 96 25251 1 . ASN 97 97 25251 1 . PHE 98 98 25251 1 . VAL 99 99 25251 1 . HIS 100 100 25251 1 . ASP 101 101 25251 1 . CYS 102 102 25251 1 . VAL 103 103 25251 1 . ASN 104 104 25251 1 . ILE 105 105 25251 1 . THR 106 106 25251 1 . VAL 107 107 25251 1 . LYS 108 108 25251 1 . GLN 109 109 25251 1 . HIS 110 110 25251 1 . THR 111 111 25251 1 . VAL 112 112 25251 1 . LYS 113 113 25251 1 . GLY 114 114 25251 1 . GLU 115 115 25251 1 . ASN 116 116 25251 1 . PHE 117 117 25251 1 . THR 118 118 25251 1 . GLU 119 119 25251 1 . THR 120 120 25251 1 . ASP 121 121 25251 1 . ILE 122 122 25251 1 . LYS 123 123 25251 1 . ILE 124 124 25251 1 . MET 125 125 25251 1 . GLU 126 126 25251 1 . ARG 127 127 25251 1 . VAL 128 128 25251 1 . VAL 129 129 25251 1 . GLU 130 130 25251 1 . GLN 131 131 25251 1 . MET 132 132 25251 1 . CYS 133 133 25251 1 . ILE 134 134 25251 1 . THR 135 135 25251 1 . GLN 136 136 25251 1 . TYR 137 137 25251 1 . GLN 138 138 25251 1 . ARG 139 139 25251 1 . GLU 140 140 25251 1 . SER 141 141 25251 1 . GLN 142 142 25251 1 . ALA 143 143 25251 1 . TYR 144 144 25251 1 . TYR 145 145 25251 1 . GLN 146 146 25251 1 . ARG 147 147 25251 1 . GLY 148 148 25251 1 . ALA 149 149 25251 1 . SER 150 150 25251 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 25251 _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 . 9940 organism . 'Ovis aries' Sheep . . Eukaryota Metazoa Ovis aries . VRQ . . . . . . . . . 'PRNP prion protein' . 25251 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 25251 _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 . 'recombinant technology' 'Escherichia coli' 'Escherichia coli' . . Escherichia coli BL21(DE3) . . . . . pET22b . . . 25251 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25251 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 entity '[U-99% 13C; U-99% 15N]' . . 1 $entity . . 0.15 . . mM 2e-05 . . . 25251 1 2 'Sodium acetate' 'natural abundance' . . . . . . 10.00 . . mM 0.001 . . . 25251 1 3 H2O 'natural abundance' . . . . . . 90 . . mM 0.001 . . . 25251 1 4 D2O 'natural abundance' . . . . . . 10 . . mM 0.001 . . . 25251 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 25251 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 entity '[U-99% 15N]' . . 1 $entity . . 0.46 . . mM 2e-05 . . . 25251 2 2 'Sodium acetate' 'natural abundance' . . . . . . 10.00 . . mM 0.001 . . . 25251 2 3 H2O 'natural abundance' . . . . . . 90 . . mM 0.001 . . . 25251 2 4 D2O 'natural abundance' . . . . . . 10 . . mM 0.001 . . . 25251 2 stop_ save_ ####################### # Sample conditions # ####################### save_condition1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition1 _Sample_condition_list.Entry_ID 25251 _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' 0 . M 25251 1 pH 5.300 0.1 pH 25251 1 pressure 1.000 . atm 25251 1 temperature 298.000 0.1 K 25251 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 25251 _Software.ID 1 _Software.Name CYANA _Software.Version 3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Peter Guntert' 'University of Frankfurt, DE' http://www.cyana.org 25251 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Structure calculation' 25251 1 stop_ save_ save_CcpNmr_Analysis _Software.Sf_category software _Software.Sf_framecode CcpNmr_Analysis _Software.Entry_ID 25251 _Software.ID 2 _Software.Name CcpNmr_Analysis _Software.Version 2.2 _Software.Details 'The CCPN NMR assignment and data analysis application' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN 'Department of Biochemistry, Cambridge CB2 1GA, UK' http://www.ccpn.ac.uk 25251 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Data analysis' 25251 2 stop_ save_ save_Talos+ _Software.Sf_category software _Software.Sf_framecode Talos+ _Software.Entry_ID 25251 _Software.ID 3 _Software.Name Talos+ _Software.Version 1.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Yang Shen' 'NIDDK, Bethesda, Bethesda, MD 20892-2560, USA' http://spin.niddk.nih.gov/TALOS 25251 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Dihedral angles' 25251 3 stop_ save_ save_Topspin _Software.Sf_category software _Software.Sf_framecode Topspin _Software.Entry_ID 25251 _Software.ID 4 _Software.Name Topspin _Software.Version 3.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker 'Bruker France, 67160 Wissembourg, FR' http://www.bruker.com/products/mr/nmr.html 25251 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25251 4 procession 25251 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 25251 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25251 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 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 25251 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 25251 1 2 spectrometer_2 Bruker Avance . 950 . . . 25251 1 stop_ save_ save_CRP600 _NMR_spectrometer_probe.Sf_category NMR_spectrometer_probe _NMR_spectrometer_probe.Sf_framecode CRP600 _NMR_spectrometer_probe.Entry_ID 25251 _NMR_spectrometer_probe.ID 1 _NMR_spectrometer_probe.Details . _NMR_spectrometer_probe.Manufacturer Bruker _NMR_spectrometer_probe.Model 'TCI cryoprobe' _NMR_spectrometer_probe.Serial_number . _NMR_spectrometer_probe.Diameter 0.5 _NMR_spectrometer_probe.Rotor_length . _NMR_spectrometer_probe.Rotor_composition . _NMR_spectrometer_probe.Internal_volume . _NMR_spectrometer_probe.Spacer_present . loop_ _NMR_probe.Type _NMR_probe.Entry_ID _NMR_probe.NMR_spectrometer_probe_ID liquid 25251 1 stop_ save_ save_CRP950 _NMR_spectrometer_probe.Sf_category NMR_spectrometer_probe _NMR_spectrometer_probe.Sf_framecode CRP950 _NMR_spectrometer_probe.Entry_ID 25251 _NMR_spectrometer_probe.ID 2 _NMR_spectrometer_probe.Details . _NMR_spectrometer_probe.Manufacturer Bruker _NMR_spectrometer_probe.Model 'TCI cryoprobe' _NMR_spectrometer_probe.Serial_number . _NMR_spectrometer_probe.Diameter 0.5 _NMR_spectrometer_probe.Rotor_length . _NMR_spectrometer_probe.Rotor_composition . _NMR_spectrometer_probe.Internal_volume . _NMR_spectrometer_probe.Spacer_present . loop_ _NMR_probe.Type _NMR_probe.Entry_ID _NMR_probe.NMR_spectrometer_probe_ID liquid 25251 2 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 25251 _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 HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25251 1 2 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25251 1 3 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25251 1 4 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $condition1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25251 1 5 '3D 1H-15N TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $condition1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25251 1 6 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $condition1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25251 1 7 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $condition1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25251 1 8 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $condition1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25251 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 25251 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 25251 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 25251 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 25251 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list _Assigned_chem_shift_list.Entry_ID 25251 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.3 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _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 HNCA' 1 $sample_1 isotropic 25251 1 2 '3D HN(CO)CA' 1 $sample_1 isotropic 25251 1 3 '2D 1H-15N HSQC' 1 $sample_1 isotropic 25251 1 4 '3D 1H-15N NOESY' 2 $sample_2 isotropic 25251 1 5 '3D 1H-15N TOCSY' 2 $sample_2 isotropic 25251 1 6 '2D 1H-15N HSQC' 2 $sample_2 isotropic 25251 1 7 '2D 1H-1H NOESY' 2 $sample_2 isotropic 25251 1 8 '2D 1H-15N HSQC' 2 $sample_2 isotropic 25251 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $CcpNmr_Analysis . . 25251 1 4 $Topspin . . 25251 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 2 2 GLY CA C 13 45.09 0.25 . 1 . . 1 . 82 GLY CA . 25251 1 2 . 1 1 3 3 SER H H 1 8.33 0.02 . 1 . . 1 . 83 SER H . 25251 1 3 . 1 1 3 3 SER CA C 13 58.24 0.25 . 1 . . 1 . 83 SER CA . 25251 1 4 . 1 1 3 3 SER N N 15 115.75 0.15 . 1 . . 1 . 83 SER N . 25251 1 5 . 1 1 11 11 SER CA C 13 58.16 0.25 . 1 . . 1 . 91 SER CA . 25251 1 6 . 1 1 12 12 SER H H 1 8.53 0.02 . 1 . . 1 A 92 SER H . 25251 1 7 . 1 1 12 12 SER HA H 1 4.47 0.02 . 1 . . 1 A 92 SER HA . 25251 1 8 . 1 1 12 12 SER HB2 H 1 3.89 0.02 . 1 . . 1 A 92 SER HB2 . 25251 1 9 . 1 1 12 12 SER HB3 H 1 3.89 0.02 . 1 . . 1 A 92 SER HB3 . 25251 1 10 . 1 1 12 12 SER CA C 13 58.49 0.25 . 1 . . 1 A 92 SER CA . 25251 1 11 . 1 1 12 12 SER N N 15 118.38 0.15 . 1 . . 1 A 92 SER N . 25251 1 12 . 1 1 13 13 GLY H H 1 8.40 0.02 . 1 . . 1 A 93 GLY H . 25251 1 13 . 1 1 13 13 GLY HA2 H 1 3.94 0.02 . 2 . . 1 A 93 GLY HA2 . 25251 1 14 . 1 1 13 13 GLY HA3 H 1 3.90 0.02 . 2 . . 1 A 93 GLY HA3 . 25251 1 15 . 1 1 13 13 GLY CA C 13 45.09 0.25 . 1 . . 1 A 93 GLY CA . 25251 1 16 . 1 1 13 13 GLY N N 15 110.59 0.15 . 1 . . 1 A 93 GLY N . 25251 1 17 . 1 1 14 14 LEU H H 1 8.09 0.02 . 1 . . 1 A 94 LEU H . 25251 1 18 . 1 1 14 14 LEU HA H 1 4.35 0.02 . 1 . . 1 A 94 LEU HA . 25251 1 19 . 1 1 14 14 LEU HB3 H 1 1.56 0.02 . 1 . . 1 A 94 LEU HB3 . 25251 1 20 . 1 1 14 14 LEU CA C 13 54.93 0.25 . 1 . . 1 A 94 LEU CA . 25251 1 21 . 1 1 14 14 LEU N N 15 121.83 0.15 . 1 . . 1 A 94 LEU N . 25251 1 22 . 1 1 15 15 VAL H H 1 8.19 0.02 . 1 . . 1 A 95 VAL H . 25251 1 23 . 1 1 15 15 VAL HA H 1 4.39 0.02 . 1 . . 1 A 95 VAL HA . 25251 1 24 . 1 1 15 15 VAL HB H 1 2.03 0.02 . 1 . . 1 A 95 VAL HB . 25251 1 25 . 1 1 15 15 VAL HG11 H 1 0.92 0.02 . 1 . . 1 A 95 VAL HG11 . 25251 1 26 . 1 1 15 15 VAL HG12 H 1 0.92 0.02 . 1 . . 1 A 95 VAL HG12 . 25251 1 27 . 1 1 15 15 VAL HG13 H 1 0.92 0.02 . 1 . . 1 A 95 VAL HG13 . 25251 1 28 . 1 1 15 15 VAL HG21 H 1 0.92 0.02 . 1 . . 1 A 95 VAL HG21 . 25251 1 29 . 1 1 15 15 VAL HG22 H 1 0.92 0.02 . 1 . . 1 A 95 VAL HG22 . 25251 1 30 . 1 1 15 15 VAL HG23 H 1 0.92 0.02 . 1 . . 1 A 95 VAL HG23 . 25251 1 31 . 1 1 15 15 VAL CA C 13 59.79 0.25 . 1 . . 1 A 95 VAL CA . 25251 1 32 . 1 1 15 15 VAL N N 15 123.65 0.15 . 1 . . 1 A 95 VAL N . 25251 1 33 . 1 1 16 16 PRO HA H 1 4.40 0.02 . 1 . . 1 A 96 PRO HA . 25251 1 34 . 1 1 16 16 PRO HB3 H 1 2.24 0.02 . 1 . . 1 A 96 PRO HB3 . 25251 1 35 . 1 1 16 16 PRO CA C 13 63.09 0.25 . 1 . . 1 A 96 PRO CA . 25251 1 36 . 1 1 17 17 ARG H H 1 8.48 0.02 . 1 . . 1 A 97 ARG H . 25251 1 37 . 1 1 17 17 ARG HA H 1 4.30 0.02 . 1 . . 1 A 97 ARG HA . 25251 1 38 . 1 1 17 17 ARG HB2 H 1 1.84 0.02 . 1 . . 1 A 97 ARG HB2 . 25251 1 39 . 1 1 17 17 ARG CA C 13 56.33 0.25 . 1 . . 1 A 97 ARG CA . 25251 1 40 . 1 1 17 17 ARG N N 15 122.07 0.15 . 1 . . 1 A 97 ARG N . 25251 1 41 . 1 1 18 18 GLY H H 1 8.45 0.02 . 1 . . 1 A 98 GLY H . 25251 1 42 . 1 1 18 18 GLY HA2 H 1 3.96 0.02 . 2 . . 1 A 98 GLY HA2 . 25251 1 43 . 1 1 18 18 GLY HA3 H 1 3.97 0.02 . 2 . . 1 A 98 GLY HA3 . 25251 1 44 . 1 1 18 18 GLY CA C 13 45.11 0.25 . 1 . . 1 A 98 GLY CA . 25251 1 45 . 1 1 18 18 GLY N N 15 110.22 0.15 . 1 . . 1 A 98 GLY N . 25251 1 46 . 1 1 19 19 SER H H 1 8.21 0.02 . 1 . . 1 A 99 SER H . 25251 1 47 . 1 1 19 19 SER HA H 1 4.41 0.02 . 1 . . 1 A 99 SER HA . 25251 1 48 . 1 1 19 19 SER HB2 H 1 3.81 0.02 . 1 . . 1 A 99 SER HB2 . 25251 1 49 . 1 1 19 19 SER HB3 H 1 3.81 0.02 . 1 . . 1 A 99 SER HB3 . 25251 1 50 . 1 1 19 19 SER CA C 13 58.26 0.25 . 1 . . 1 A 99 SER CA . 25251 1 51 . 1 1 19 19 SER N N 15 115.43 0.15 . 1 . . 1 A 99 SER N . 25251 1 52 . 1 1 20 20 HIS H H 1 8.58 0.02 . 1 . . 1 A 100 HIS H . 25251 1 53 . 1 1 20 20 HIS HA H 1 4.71 0.02 . 1 . . 1 A 100 HIS HA . 25251 1 54 . 1 1 20 20 HIS CA C 13 55.45 0.25 . 1 . . 1 A 100 HIS CA . 25251 1 55 . 1 1 20 20 HIS N N 15 120.53 0.15 . 1 . . 1 A 100 HIS N . 25251 1 56 . 1 1 21 21 MET H H 1 8.36 0.02 . 1 . . 1 A 101 MET H . 25251 1 57 . 1 1 21 21 MET HA H 1 4.47 0.02 . 1 . . 1 A 101 MET HA . 25251 1 58 . 1 1 21 21 MET HB2 H 1 2.06 0.02 . 2 . . 1 A 101 MET HB2 . 25251 1 59 . 1 1 21 21 MET HB3 H 1 1.97 0.02 . 2 . . 1 A 101 MET HB3 . 25251 1 60 . 1 1 21 21 MET CA C 13 55.42 0.25 . 1 . . 1 A 101 MET CA . 25251 1 61 . 1 1 21 21 MET N N 15 121.88 0.15 . 1 . . 1 A 101 MET N . 25251 1 62 . 1 1 22 22 SER H H 1 8.42 0.02 . 1 . . 1 A 102 SER H . 25251 1 63 . 1 1 22 22 SER HA H 1 4.44 0.02 . 1 . . 1 A 102 SER HA . 25251 1 64 . 1 1 22 22 SER HB2 H 1 3.90 0.02 . 2 . . 1 A 102 SER HB2 . 25251 1 65 . 1 1 22 22 SER HB3 H 1 3.85 0.02 . 2 . . 1 A 102 SER HB3 . 25251 1 66 . 1 1 22 22 SER CA C 13 58.13 0.25 . 1 . . 1 A 102 SER CA . 25251 1 67 . 1 1 22 22 SER N N 15 117.31 0.15 . 1 . . 1 A 102 SER N . 25251 1 68 . 1 1 23 23 ASN H H 1 8.46 0.02 . 1 . . 1 A 103 ASN H . 25251 1 69 . 1 1 23 23 ASN HA H 1 4.72 0.02 . 1 . . 1 A 103 ASN HA . 25251 1 70 . 1 1 23 23 ASN HB2 H 1 2.75 0.02 . 1 . . 1 A 103 ASN HB2 . 25251 1 71 . 1 1 23 23 ASN CA C 13 52.96 0.25 . 1 . . 1 A 103 ASN CA . 25251 1 72 . 1 1 23 23 ASN N N 15 121.19 0.15 . 1 . . 1 A 103 ASN N . 25251 1 73 . 1 1 24 24 LYS H H 1 8.27 0.02 . 1 . . 1 A 104 LYS H . 25251 1 74 . 1 1 24 24 LYS HA H 1 4.59 0.02 . 1 . . 1 A 104 LYS HA . 25251 1 75 . 1 1 24 24 LYS HB3 H 1 1.69 0.02 . 1 . . 1 A 104 LYS HB3 . 25251 1 76 . 1 1 24 24 LYS CA C 13 54.13 0.25 . 1 . . 1 A 104 LYS CA . 25251 1 77 . 1 1 24 24 LYS N N 15 122.86 0.15 . 1 . . 1 A 104 LYS N . 25251 1 78 . 1 1 25 25 PRO HA H 1 4.45 0.02 . 1 . . 1 A 105 PRO HA . 25251 1 79 . 1 1 25 25 PRO CA C 13 63.07 0.25 . 1 . . 1 A 105 PRO CA . 25251 1 80 . 1 1 26 26 SER H H 1 8.46 0.02 . 1 . . 1 A 106 SER H . 25251 1 81 . 1 1 26 26 SER HA H 1 4.43 0.02 . 1 . . 1 A 106 SER HA . 25251 1 82 . 1 1 26 26 SER HB2 H 1 3.82 0.02 . 2 . . 1 A 106 SER HB2 . 25251 1 83 . 1 1 26 26 SER HB3 H 1 3.83 0.02 . 2 . . 1 A 106 SER HB3 . 25251 1 84 . 1 1 26 26 SER CA C 13 58.04 0.25 . 1 . . 1 A 106 SER CA . 25251 1 85 . 1 1 26 26 SER N N 15 117.03 0.15 . 1 . . 1 A 106 SER N . 25251 1 86 . 1 1 27 27 LYS H H 1 8.35 0.02 . 1 . . 1 A 107 LYS H . 25251 1 87 . 1 1 27 27 LYS HA H 1 4.62 0.02 . 1 . . 1 A 107 LYS HA . 25251 1 88 . 1 1 27 27 LYS HB2 H 1 1.72 0.02 . 2 . . 1 A 107 LYS HB2 . 25251 1 89 . 1 1 27 27 LYS HB3 H 1 1.82 0.02 . 2 . . 1 A 107 LYS HB3 . 25251 1 90 . 1 1 27 27 LYS CA C 13 54.15 0.25 . 1 . . 1 A 107 LYS CA . 25251 1 91 . 1 1 27 27 LYS N N 15 124.25 0.15 . 1 . . 1 A 107 LYS N . 25251 1 92 . 1 1 28 28 PRO HA H 1 4.41 0.02 . 1 . . 1 A 108 PRO HA . 25251 1 93 . 1 1 28 28 PRO CA C 13 63.01 0.25 . 1 . . 1 A 108 PRO CA . 25251 1 94 . 1 1 29 29 LYS H H 1 8.52 0.02 . 1 . . 1 A 109 LYS H . 25251 1 95 . 1 1 29 29 LYS HA H 1 4.33 0.02 . 1 . . 1 A 109 LYS HA . 25251 1 96 . 1 1 29 29 LYS HB2 H 1 1.79 0.02 . 2 . . 1 A 109 LYS HB2 . 25251 1 97 . 1 1 29 29 LYS HB3 H 1 1.85 0.02 . 2 . . 1 A 109 LYS HB3 . 25251 1 98 . 1 1 29 29 LYS CA C 13 56.32 0.25 . 1 . . 1 A 109 LYS CA . 25251 1 99 . 1 1 29 29 LYS N N 15 122.10 0.15 . 1 . . 1 A 109 LYS N . 25251 1 100 . 1 1 30 30 THR H H 1 8.14 0.02 . 1 . . 1 A 110 THR H . 25251 1 101 . 1 1 30 30 THR HA H 1 4.32 0.02 . 1 . . 1 A 110 THR HA . 25251 1 102 . 1 1 30 30 THR HB H 1 4.15 0.02 . 1 . . 1 A 110 THR HB . 25251 1 103 . 1 1 30 30 THR HG21 H 1 1.18 0.02 . 1 . . 1 A 110 THR HG21 . 25251 1 104 . 1 1 30 30 THR HG22 H 1 1.18 0.02 . 1 . . 1 A 110 THR HG22 . 25251 1 105 . 1 1 30 30 THR HG23 H 1 1.18 0.02 . 1 . . 1 A 110 THR HG23 . 25251 1 106 . 1 1 30 30 THR CA C 13 61.60 0.25 . 1 . . 1 A 110 THR CA . 25251 1 107 . 1 1 30 30 THR N N 15 115.40 0.15 . 1 . . 1 A 110 THR N . 25251 1 108 . 1 1 31 31 ASN H H 1 8.54 0.02 . 1 . . 1 A 111 ASN H . 25251 1 109 . 1 1 31 31 ASN HA H 1 4.72 0.02 . 1 . . 1 A 111 ASN HA . 25251 1 110 . 1 1 31 31 ASN HB2 H 1 2.81 0.02 . 2 . . 1 A 111 ASN HB2 . 25251 1 111 . 1 1 31 31 ASN HB3 H 1 2.77 0.02 . 2 . . 1 A 111 ASN HB3 . 25251 1 112 . 1 1 31 31 ASN CA C 13 53.03 0.25 . 1 . . 1 A 111 ASN CA . 25251 1 113 . 1 1 31 31 ASN N N 15 121.41 0.15 . 1 . . 1 A 111 ASN N . 25251 1 114 . 1 1 32 32 MET H H 1 8.35 0.02 . 1 . . 1 A 112 MET H . 25251 1 115 . 1 1 32 32 MET HA H 1 4.43 0.02 . 1 . . 1 A 112 MET HA . 25251 1 116 . 1 1 32 32 MET HB2 H 1 2.01 0.02 . 2 . . 1 A 112 MET HB2 . 25251 1 117 . 1 1 32 32 MET HB3 H 1 1.96 0.02 . 2 . . 1 A 112 MET HB3 . 25251 1 118 . 1 1 32 32 MET CA C 13 55.38 0.25 . 1 . . 1 A 112 MET CA . 25251 1 119 . 1 1 32 32 MET N N 15 121.35 0.15 . 1 . . 1 A 112 MET N . 25251 1 120 . 1 1 33 33 LYS H H 1 8.30 0.02 . 1 . . 1 A 113 LYS H . 25251 1 121 . 1 1 33 33 LYS HA H 1 4.24 0.02 . 1 . . 1 A 113 LYS HA . 25251 1 122 . 1 1 33 33 LYS HB2 H 1 1.71 0.02 . 2 . . 1 A 113 LYS HB2 . 25251 1 123 . 1 1 33 33 LYS HB3 H 1 1.72 0.02 . 2 . . 1 A 113 LYS HB3 . 25251 1 124 . 1 1 33 33 LYS CA C 13 56.31 0.25 . 1 . . 1 A 113 LYS CA . 25251 1 125 . 1 1 33 33 LYS N N 15 122.44 0.15 . 1 . . 1 A 113 LYS N . 25251 1 126 . 1 1 34 34 HIS H H 1 8.50 0.02 . 1 . . 1 A 114 HIS H . 25251 1 127 . 1 1 34 34 HIS HA H 1 4.68 0.02 . 1 . . 1 A 114 HIS HA . 25251 1 128 . 1 1 34 34 HIS HB2 H 1 3.10 0.02 . 2 . . 1 A 114 HIS HB2 . 25251 1 129 . 1 1 34 34 HIS HB3 H 1 3.17 0.02 . 2 . . 1 A 114 HIS HB3 . 25251 1 130 . 1 1 34 34 HIS CA C 13 55.24 0.25 . 1 . . 1 A 114 HIS CA . 25251 1 131 . 1 1 34 34 HIS N N 15 120.69 0.15 . 1 . . 1 A 114 HIS N . 25251 1 132 . 1 1 35 35 VAL H H 1 8.18 0.02 . 1 . . 1 A 115 VAL H . 25251 1 133 . 1 1 35 35 VAL HA H 1 4.08 0.02 . 1 . . 1 A 115 VAL HA . 25251 1 134 . 1 1 35 35 VAL HB H 1 2.01 0.02 . 1 . . 1 A 115 VAL HB . 25251 1 135 . 1 1 35 35 VAL HG11 H 1 0.88 0.02 . 1 . . 1 A 115 VAL HG11 . 25251 1 136 . 1 1 35 35 VAL HG12 H 1 0.88 0.02 . 1 . . 1 A 115 VAL HG12 . 25251 1 137 . 1 1 35 35 VAL HG13 H 1 0.88 0.02 . 1 . . 1 A 115 VAL HG13 . 25251 1 138 . 1 1 35 35 VAL HG21 H 1 0.88 0.02 . 1 . . 1 A 115 VAL HG21 . 25251 1 139 . 1 1 35 35 VAL HG22 H 1 0.88 0.02 . 1 . . 1 A 115 VAL HG22 . 25251 1 140 . 1 1 35 35 VAL HG23 H 1 0.88 0.02 . 1 . . 1 A 115 VAL HG23 . 25251 1 141 . 1 1 35 35 VAL CA C 13 61.95 0.25 . 1 . . 1 A 115 VAL CA . 25251 1 142 . 1 1 35 35 VAL N N 15 122.76 0.15 . 1 . . 1 A 115 VAL N . 25251 1 143 . 1 1 36 36 ALA H H 1 8.46 0.02 . 1 . . 1 A 116 ALA H . 25251 1 144 . 1 1 36 36 ALA HA H 1 4.29 0.02 . 1 . . 1 A 116 ALA HA . 25251 1 145 . 1 1 36 36 ALA HB1 H 1 1.38 0.02 . 1 . . 1 A 116 ALA HB1 . 25251 1 146 . 1 1 36 36 ALA HB2 H 1 1.38 0.02 . 1 . . 1 A 116 ALA HB2 . 25251 1 147 . 1 1 36 36 ALA HB3 H 1 1.38 0.02 . 1 . . 1 A 116 ALA HB3 . 25251 1 148 . 1 1 36 36 ALA CA C 13 52.53 0.25 . 1 . . 1 A 116 ALA CA . 25251 1 149 . 1 1 36 36 ALA N N 15 128.28 0.15 . 1 . . 1 A 116 ALA N . 25251 1 150 . 1 1 37 37 GLY H H 1 8.37 0.02 . 1 . . 1 A 117 GLY H . 25251 1 151 . 1 1 37 37 GLY HA2 H 1 3.92 0.02 . 1 . . 1 A 117 GLY HA2 . 25251 1 152 . 1 1 37 37 GLY HA3 H 1 3.92 0.02 . 1 . . 1 A 117 GLY HA3 . 25251 1 153 . 1 1 37 37 GLY CA C 13 45.04 0.25 . 1 . . 1 A 117 GLY CA . 25251 1 154 . 1 1 37 37 GLY N N 15 108.69 0.15 . 1 . . 1 A 117 GLY N . 25251 1 155 . 1 1 38 38 ALA H H 1 8.14 0.02 . 1 . . 1 A 118 ALA H . 25251 1 156 . 1 1 38 38 ALA HA H 1 4.28 0.02 . 1 . . 1 A 118 ALA HA . 25251 1 157 . 1 1 38 38 ALA HB1 H 1 1.35 0.02 . 1 . . 1 A 118 ALA HB1 . 25251 1 158 . 1 1 38 38 ALA HB2 H 1 1.35 0.02 . 1 . . 1 A 118 ALA HB2 . 25251 1 159 . 1 1 38 38 ALA HB3 H 1 1.35 0.02 . 1 . . 1 A 118 ALA HB3 . 25251 1 160 . 1 1 38 38 ALA CA C 13 52.41 0.25 . 1 . . 1 A 118 ALA CA . 25251 1 161 . 1 1 38 38 ALA N N 15 123.84 0.15 . 1 . . 1 A 118 ALA N . 25251 1 162 . 1 1 39 39 ALA H H 1 8.29 0.02 . 1 . . 1 A 119 ALA H . 25251 1 163 . 1 1 39 39 ALA HA H 1 4.26 0.02 . 1 . . 1 A 119 ALA HA . 25251 1 164 . 1 1 39 39 ALA HB1 H 1 1.36 0.02 . 1 . . 1 A 119 ALA HB1 . 25251 1 165 . 1 1 39 39 ALA HB2 H 1 1.36 0.02 . 1 . . 1 A 119 ALA HB2 . 25251 1 166 . 1 1 39 39 ALA HB3 H 1 1.36 0.02 . 1 . . 1 A 119 ALA HB3 . 25251 1 167 . 1 1 39 39 ALA CA C 13 52.32 0.25 . 1 . . 1 A 119 ALA CA . 25251 1 168 . 1 1 39 39 ALA N N 15 123.30 0.15 . 1 . . 1 A 119 ALA N . 25251 1 169 . 1 1 40 40 ALA H H 1 8.21 0.02 . 1 . . 1 A 120 ALA H . 25251 1 170 . 1 1 40 40 ALA HA H 1 4.25 0.02 . 1 . . 1 A 120 ALA HA . 25251 1 171 . 1 1 40 40 ALA HB1 H 1 1.35 0.02 . 1 . . 1 A 120 ALA HB1 . 25251 1 172 . 1 1 40 40 ALA HB2 H 1 1.35 0.02 . 1 . . 1 A 120 ALA HB2 . 25251 1 173 . 1 1 40 40 ALA HB3 H 1 1.35 0.02 . 1 . . 1 A 120 ALA HB3 . 25251 1 174 . 1 1 40 40 ALA CA C 13 52.29 0.25 . 1 . . 1 A 120 ALA CA . 25251 1 175 . 1 1 40 40 ALA N N 15 123.37 0.15 . 1 . . 1 A 120 ALA N . 25251 1 176 . 1 1 41 41 ALA H H 1 8.24 0.02 . 1 . . 1 A 121 ALA H . 25251 1 177 . 1 1 41 41 ALA HA H 1 4.28 0.02 . 1 . . 1 A 121 ALA HA . 25251 1 178 . 1 1 41 41 ALA HB1 H 1 1.37 0.02 . 1 . . 1 A 121 ALA HB1 . 25251 1 179 . 1 1 41 41 ALA HB2 H 1 1.37 0.02 . 1 . . 1 A 121 ALA HB2 . 25251 1 180 . 1 1 41 41 ALA HB3 H 1 1.37 0.02 . 1 . . 1 A 121 ALA HB3 . 25251 1 181 . 1 1 41 41 ALA CA C 13 52.60 0.25 . 1 . . 1 A 121 ALA CA . 25251 1 182 . 1 1 41 41 ALA N N 15 123.34 0.15 . 1 . . 1 A 121 ALA N . 25251 1 183 . 1 1 42 42 GLY H H 1 8.27 0.02 . 1 . . 1 A 122 GLY H . 25251 1 184 . 1 1 42 42 GLY HA2 H 1 3.91 0.02 . 2 . . 1 A 122 GLY HA2 . 25251 1 185 . 1 1 42 42 GLY HA3 H 1 3.93 0.02 . 2 . . 1 A 122 GLY HA3 . 25251 1 186 . 1 1 42 42 GLY CA C 13 45.04 0.25 . 1 . . 1 A 122 GLY CA . 25251 1 187 . 1 1 42 42 GLY N N 15 107.92 0.15 . 1 . . 1 A 122 GLY N . 25251 1 188 . 1 1 43 43 ALA H H 1 8.06 0.02 . 1 . . 1 A 123 ALA H . 25251 1 189 . 1 1 43 43 ALA HA H 1 4.34 0.02 . 1 . . 1 A 123 ALA HA . 25251 1 190 . 1 1 43 43 ALA HB1 H 1 1.34 0.02 . 1 . . 1 A 123 ALA HB1 . 25251 1 191 . 1 1 43 43 ALA HB2 H 1 1.34 0.02 . 1 . . 1 A 123 ALA HB2 . 25251 1 192 . 1 1 43 43 ALA HB3 H 1 1.34 0.02 . 1 . . 1 A 123 ALA HB3 . 25251 1 193 . 1 1 43 43 ALA CA C 13 52.23 0.25 . 1 . . 1 A 123 ALA CA . 25251 1 194 . 1 1 43 43 ALA N N 15 123.51 0.15 . 1 . . 1 A 123 ALA N . 25251 1 195 . 1 1 44 44 VAL H H 1 8.13 0.02 . 1 . . 1 A 124 VAL H . 25251 1 196 . 1 1 44 44 VAL HA H 1 4.10 0.02 . 1 . . 1 A 124 VAL HA . 25251 1 197 . 1 1 44 44 VAL HB H 1 2.00 0.02 . 1 . . 1 A 124 VAL HB . 25251 1 198 . 1 1 44 44 VAL HG11 H 1 0.88 0.02 . 1 . . 1 A 124 VAL HG11 . 25251 1 199 . 1 1 44 44 VAL HG12 H 1 0.88 0.02 . 1 . . 1 A 124 VAL HG12 . 25251 1 200 . 1 1 44 44 VAL HG13 H 1 0.88 0.02 . 1 . . 1 A 124 VAL HG13 . 25251 1 201 . 1 1 44 44 VAL HG21 H 1 0.88 0.02 . 1 . . 1 A 124 VAL HG21 . 25251 1 202 . 1 1 44 44 VAL HG22 H 1 0.88 0.02 . 1 . . 1 A 124 VAL HG22 . 25251 1 203 . 1 1 44 44 VAL HG23 H 1 0.88 0.02 . 1 . . 1 A 124 VAL HG23 . 25251 1 204 . 1 1 44 44 VAL CA C 13 62.24 0.25 . 1 . . 1 A 124 VAL CA . 25251 1 205 . 1 1 44 44 VAL N N 15 119.70 0.15 . 1 . . 1 A 124 VAL N . 25251 1 206 . 1 1 45 45 VAL H H 1 8.26 0.02 . 1 . . 1 A 125 VAL H . 25251 1 207 . 1 1 45 45 VAL HA H 1 4.08 0.02 . 1 . . 1 A 125 VAL HA . 25251 1 208 . 1 1 45 45 VAL HB H 1 2.00 0.02 . 1 . . 1 A 125 VAL HB . 25251 1 209 . 1 1 45 45 VAL HG11 H 1 0.89 0.02 . 1 . . 1 A 125 VAL HG11 . 25251 1 210 . 1 1 45 45 VAL HG12 H 1 0.89 0.02 . 1 . . 1 A 125 VAL HG12 . 25251 1 211 . 1 1 45 45 VAL HG13 H 1 0.89 0.02 . 1 . . 1 A 125 VAL HG13 . 25251 1 212 . 1 1 45 45 VAL HG21 H 1 0.89 0.02 . 1 . . 1 A 125 VAL HG21 . 25251 1 213 . 1 1 45 45 VAL HG22 H 1 0.89 0.02 . 1 . . 1 A 125 VAL HG22 . 25251 1 214 . 1 1 45 45 VAL HG23 H 1 0.89 0.02 . 1 . . 1 A 125 VAL HG23 . 25251 1 215 . 1 1 45 45 VAL CA C 13 62.52 0.25 . 1 . . 1 A 125 VAL CA . 25251 1 216 . 1 1 45 45 VAL N N 15 124.75 0.15 . 1 . . 1 A 125 VAL N . 25251 1 217 . 1 1 46 46 GLY H H 1 8.55 0.02 . 1 . . 1 A 126 GLY H . 25251 1 218 . 1 1 46 46 GLY HA2 H 1 3.90 0.02 . 2 . . 1 A 126 GLY HA2 . 25251 1 219 . 1 1 46 46 GLY HA3 H 1 3.96 0.02 . 2 . . 1 A 126 GLY HA3 . 25251 1 220 . 1 1 46 46 GLY CA C 13 45.24 0.25 . 1 . . 1 A 126 GLY CA . 25251 1 221 . 1 1 46 46 GLY N N 15 113.27 0.15 . 1 . . 1 A 126 GLY N . 25251 1 222 . 1 1 47 47 GLY H H 1 8.26 0.02 . 1 . . 1 A 127 GLY H . 25251 1 223 . 1 1 47 47 GLY HA2 H 1 3.94 0.02 . 2 . . 1 A 127 GLY HA2 . 25251 1 224 . 1 1 47 47 GLY HA3 H 1 3.91 0.02 . 2 . . 1 A 127 GLY HA3 . 25251 1 225 . 1 1 47 47 GLY CA C 13 45.26 0.25 . 1 . . 1 A 127 GLY CA . 25251 1 226 . 1 1 47 47 GLY N N 15 108.44 0.15 . 1 . . 1 A 127 GLY N . 25251 1 227 . 1 1 48 48 LEU H H 1 8.20 0.02 . 1 . . 1 A 128 LEU H . 25251 1 228 . 1 1 48 48 LEU HA H 1 4.35 0.02 . 1 . . 1 A 128 LEU HA . 25251 1 229 . 1 1 48 48 LEU HB2 H 1 1.48 0.02 . 2 . . 1 A 128 LEU HB2 . 25251 1 230 . 1 1 48 48 LEU HB3 H 1 1.60 0.02 . 2 . . 1 A 128 LEU HB3 . 25251 1 231 . 1 1 48 48 LEU HG H 1 1.53 0.02 . 1 . . 1 A 128 LEU HG . 25251 1 232 . 1 1 48 48 LEU HD11 H 1 0.68 0.02 . 2 . . 1 A 128 LEU HD11 . 25251 1 233 . 1 1 48 48 LEU HD12 H 1 0.68 0.02 . 2 . . 1 A 128 LEU HD12 . 25251 1 234 . 1 1 48 48 LEU HD13 H 1 0.68 0.02 . 2 . . 1 A 128 LEU HD13 . 25251 1 235 . 1 1 48 48 LEU HD21 H 1 0.57 0.02 . 2 . . 1 A 128 LEU HD21 . 25251 1 236 . 1 1 48 48 LEU HD22 H 1 0.57 0.02 . 2 . . 1 A 128 LEU HD22 . 25251 1 237 . 1 1 48 48 LEU HD23 H 1 0.57 0.02 . 2 . . 1 A 128 LEU HD23 . 25251 1 238 . 1 1 48 48 LEU CA C 13 54.85 0.25 . 1 . . 1 A 128 LEU CA . 25251 1 239 . 1 1 48 48 LEU N N 15 121.69 0.15 . 1 . . 1 A 128 LEU N . 25251 1 240 . 1 1 49 49 GLY H H 1 8.51 0.02 . 1 . . 1 A 129 GLY H . 25251 1 241 . 1 1 49 49 GLY HA2 H 1 3.83 0.02 . 2 . . 1 A 129 GLY HA2 . 25251 1 242 . 1 1 49 49 GLY HA3 H 1 3.91 0.02 . 2 . . 1 A 129 GLY HA3 . 25251 1 243 . 1 1 49 49 GLY CA C 13 46.13 0.25 . 1 . . 1 A 129 GLY CA . 25251 1 244 . 1 1 49 49 GLY N N 15 109.76 0.15 . 1 . . 1 A 129 GLY N . 25251 1 245 . 1 1 50 50 GLY H H 1 8.33 0.02 . 1 . . 1 A 130 GLY H . 25251 1 246 . 1 1 50 50 GLY HA2 H 1 3.74 0.02 . 2 . . 1 A 130 GLY HA2 . 25251 1 247 . 1 1 50 50 GLY HA3 H 1 3.89 0.02 . 2 . . 1 A 130 GLY HA3 . 25251 1 248 . 1 1 50 50 GLY CA C 13 45.09 0.25 . 1 . . 1 A 130 GLY CA . 25251 1 249 . 1 1 50 50 GLY N N 15 109.03 0.15 . 1 . . 1 A 130 GLY N . 25251 1 250 . 1 1 51 51 TYR H H 1 7.75 0.02 . 1 . . 1 A 131 TYR H . 25251 1 251 . 1 1 51 51 TYR HA H 1 4.45 0.02 . 1 . . 1 A 131 TYR HA . 25251 1 252 . 1 1 51 51 TYR HB2 H 1 2.83 0.02 . 2 . . 1 A 131 TYR HB2 . 25251 1 253 . 1 1 51 51 TYR HB3 H 1 2.89 0.02 . 2 . . 1 A 131 TYR HB3 . 25251 1 254 . 1 1 51 51 TYR HD1 H 1 6.81 0.02 . 3 . . 1 A 131 TYR HD1 . 25251 1 255 . 1 1 51 51 TYR HD2 H 1 6.81 0.02 . 3 . . 1 A 131 TYR HD2 . 25251 1 256 . 1 1 51 51 TYR HE1 H 1 6.62 0.02 . 3 . . 1 A 131 TYR HE1 . 25251 1 257 . 1 1 51 51 TYR HE2 H 1 6.62 0.02 . 3 . . 1 A 131 TYR HE2 . 25251 1 258 . 1 1 51 51 TYR CA C 13 58.02 0.25 . 1 . . 1 A 131 TYR CA . 25251 1 259 . 1 1 51 51 TYR N N 15 117.72 0.15 . 1 . . 1 A 131 TYR N . 25251 1 260 . 1 1 52 52 MET H H 1 9.07 0.02 . 1 . . 1 A 132 MET H . 25251 1 261 . 1 1 52 52 MET HA H 1 4.52 0.02 . 1 . . 1 A 132 MET HA . 25251 1 262 . 1 1 52 52 MET HB2 H 1 1.56 0.02 . 2 . . 1 A 132 MET HB2 . 25251 1 263 . 1 1 52 52 MET HB3 H 1 0.94 0.02 . 2 . . 1 A 132 MET HB3 . 25251 1 264 . 1 1 52 52 MET HG2 H 1 2.19 0.02 . 1 . . 1 A 132 MET HG2 . 25251 1 265 . 1 1 52 52 MET HG3 H 1 2.19 0.02 . 1 . . 1 A 132 MET HG3 . 25251 1 266 . 1 1 52 52 MET CA C 13 53.62 0.25 . 1 . . 1 A 132 MET CA . 25251 1 267 . 1 1 52 52 MET N N 15 121.17 0.15 . 1 . . 1 A 132 MET N . 25251 1 268 . 1 1 53 53 LEU H H 1 8.06 0.02 . 1 . . 1 A 133 LEU H . 25251 1 269 . 1 1 53 53 LEU HA H 1 4.50 0.02 . 1 . . 1 A 133 LEU HA . 25251 1 270 . 1 1 53 53 LEU HB2 H 1 0.97 0.02 . 2 . . 1 A 133 LEU HB2 . 25251 1 271 . 1 1 53 53 LEU HB3 H 1 1.59 0.02 . 2 . . 1 A 133 LEU HB3 . 25251 1 272 . 1 1 53 53 LEU HD11 H 1 0.58 0.02 . 2 . . 1 A 133 LEU HD11 . 25251 1 273 . 1 1 53 53 LEU HD12 H 1 0.58 0.02 . 2 . . 1 A 133 LEU HD12 . 25251 1 274 . 1 1 53 53 LEU HD13 H 1 0.58 0.02 . 2 . . 1 A 133 LEU HD13 . 25251 1 275 . 1 1 53 53 LEU HD21 H 1 -0.06 0.02 . 2 . . 1 A 133 LEU HD21 . 25251 1 276 . 1 1 53 53 LEU HD22 H 1 -0.06 0.02 . 2 . . 1 A 133 LEU HD22 . 25251 1 277 . 1 1 53 53 LEU HD23 H 1 -0.06 0.02 . 2 . . 1 A 133 LEU HD23 . 25251 1 278 . 1 1 53 53 LEU CA C 13 53.25 0.25 . 1 . . 1 A 133 LEU CA . 25251 1 279 . 1 1 53 53 LEU N N 15 121.23 0.15 . 1 . . 1 A 133 LEU N . 25251 1 280 . 1 1 54 54 GLY H H 1 9.35 0.02 . 1 . . 1 A 134 GLY H . 25251 1 281 . 1 1 54 54 GLY HA2 H 1 4.08 0.02 . 2 . . 1 A 134 GLY HA2 . 25251 1 282 . 1 1 54 54 GLY HA3 H 1 4.42 0.02 . 2 . . 1 A 134 GLY HA3 . 25251 1 283 . 1 1 54 54 GLY CA C 13 44.81 0.25 . 1 . . 1 A 134 GLY CA . 25251 1 284 . 1 1 54 54 GLY N N 15 114.86 0.15 . 1 . . 1 A 134 GLY N . 25251 1 285 . 1 1 55 55 SER H H 1 8.29 0.02 . 1 . . 1 A 135 SER H . 25251 1 286 . 1 1 55 55 SER HA H 1 4.44 0.02 . 1 . . 1 A 135 SER HA . 25251 1 287 . 1 1 55 55 SER HB2 H 1 4.08 0.02 . 2 . . 1 A 135 SER HB2 . 25251 1 288 . 1 1 55 55 SER HB3 H 1 3.95 0.02 . 2 . . 1 A 135 SER HB3 . 25251 1 289 . 1 1 55 55 SER CA C 13 58.39 0.25 . 1 . . 1 A 135 SER CA . 25251 1 290 . 1 1 55 55 SER N N 15 113.13 0.15 . 1 . . 1 A 135 SER N . 25251 1 291 . 1 1 56 56 VAL H H 1 8.46 0.02 . 1 . . 1 A 136 VAL H . 25251 1 292 . 1 1 56 56 VAL HA H 1 4.04 0.02 . 1 . . 1 A 136 VAL HA . 25251 1 293 . 1 1 56 56 VAL HB H 1 1.88 0.02 . 1 . . 1 A 136 VAL HB . 25251 1 294 . 1 1 56 56 VAL HG11 H 1 0.86 0.02 . 2 . . 1 A 136 VAL HG11 . 25251 1 295 . 1 1 56 56 VAL HG12 H 1 0.86 0.02 . 2 . . 1 A 136 VAL HG12 . 25251 1 296 . 1 1 56 56 VAL HG13 H 1 0.86 0.02 . 2 . . 1 A 136 VAL HG13 . 25251 1 297 . 1 1 56 56 VAL HG21 H 1 0.92 0.02 . 2 . . 1 A 136 VAL HG21 . 25251 1 298 . 1 1 56 56 VAL HG22 H 1 0.92 0.02 . 2 . . 1 A 136 VAL HG22 . 25251 1 299 . 1 1 56 56 VAL HG23 H 1 0.92 0.02 . 2 . . 1 A 136 VAL HG23 . 25251 1 300 . 1 1 56 56 VAL CA C 13 64.07 0.25 . 1 . . 1 A 136 VAL CA . 25251 1 301 . 1 1 56 56 VAL N N 15 121.92 0.15 . 1 . . 1 A 136 VAL N . 25251 1 302 . 1 1 57 57 MET H H 1 8.86 0.02 . 1 . . 1 A 137 MET H . 25251 1 303 . 1 1 57 57 MET HA H 1 4.78 0.02 . 1 . . 1 A 137 MET HA . 25251 1 304 . 1 1 57 57 MET HB2 H 1 2.00 0.02 . 2 . . 1 A 137 MET HB2 . 25251 1 305 . 1 1 57 57 MET HB3 H 1 2.03 0.02 . 2 . . 1 A 137 MET HB3 . 25251 1 306 . 1 1 57 57 MET HG2 H 1 2.46 0.02 . 2 . . 1 A 137 MET HG2 . 25251 1 307 . 1 1 57 57 MET HG3 H 1 2.38 0.02 . 2 . . 1 A 137 MET HG3 . 25251 1 308 . 1 1 57 57 MET CA C 13 53.73 0.25 . 1 . . 1 A 137 MET CA . 25251 1 309 . 1 1 57 57 MET N N 15 126.16 0.15 . 1 . . 1 A 137 MET N . 25251 1 310 . 1 1 58 58 SER H H 1 8.40 0.02 . 1 . . 1 A 138 SER H . 25251 1 311 . 1 1 58 58 SER HA H 1 4.31 0.02 . 1 . . 1 A 138 SER HA . 25251 1 312 . 1 1 58 58 SER HB2 H 1 3.82 0.02 . 2 . . 1 A 138 SER HB2 . 25251 1 313 . 1 1 58 58 SER HB3 H 1 3.72 0.02 . 2 . . 1 A 138 SER HB3 . 25251 1 314 . 1 1 58 58 SER CA C 13 58.66 0.25 . 1 . . 1 A 138 SER CA . 25251 1 315 . 1 1 58 58 SER N N 15 116.21 0.15 . 1 . . 1 A 138 SER N . 25251 1 316 . 1 1 59 59 ARG H H 1 8.62 0.02 . 1 . . 1 A 139 ARG H . 25251 1 317 . 1 1 59 59 ARG HA H 1 4.40 0.02 . 1 . . 1 A 139 ARG HA . 25251 1 318 . 1 1 59 59 ARG HB2 H 1 1.67 0.02 . 2 . . 1 A 139 ARG HB2 . 25251 1 319 . 1 1 59 59 ARG HB3 H 1 1.63 0.02 . 2 . . 1 A 139 ARG HB3 . 25251 1 320 . 1 1 59 59 ARG HG2 H 1 1.84 0.02 . 2 . . 1 A 139 ARG HG2 . 25251 1 321 . 1 1 59 59 ARG HG3 H 1 1.82 0.02 . 2 . . 1 A 139 ARG HG3 . 25251 1 322 . 1 1 59 59 ARG CA C 13 54.97 0.25 . 1 . . 1 A 139 ARG CA . 25251 1 323 . 1 1 59 59 ARG N N 15 126.13 0.15 . 1 . . 1 A 139 ARG N . 25251 1 324 . 1 1 60 60 PRO HA H 1 4.36 0.02 . 1 . . 1 A 140 PRO HA . 25251 1 325 . 1 1 60 60 PRO HB2 H 1 1.75 0.02 . 2 . . 1 A 140 PRO HB2 . 25251 1 326 . 1 1 60 60 PRO HB3 H 1 2.21 0.02 . 2 . . 1 A 140 PRO HB3 . 25251 1 327 . 1 1 60 60 PRO HD3 H 1 3.71 0.02 . 1 . . 1 A 140 PRO HD3 . 25251 1 328 . 1 1 60 60 PRO CA C 13 62.44 0.25 . 1 . . 1 A 140 PRO CA . 25251 1 329 . 1 1 61 61 LEU H H 1 8.68 0.02 . 1 . . 1 A 141 LEU H . 25251 1 330 . 1 1 61 61 LEU HA H 1 4.55 0.02 . 1 . . 1 A 141 LEU HA . 25251 1 331 . 1 1 61 61 LEU HB2 H 1 1.64 0.02 . 2 . . 1 A 141 LEU HB2 . 25251 1 332 . 1 1 61 61 LEU HB3 H 1 1.51 0.02 . 2 . . 1 A 141 LEU HB3 . 25251 1 333 . 1 1 61 61 LEU HG H 1 1.58 0.02 . 1 . . 1 A 141 LEU HG . 25251 1 334 . 1 1 61 61 LEU HD11 H 1 0.92 0.02 . 2 . . 1 A 141 LEU HD11 . 25251 1 335 . 1 1 61 61 LEU HD12 H 1 0.92 0.02 . 2 . . 1 A 141 LEU HD12 . 25251 1 336 . 1 1 61 61 LEU HD13 H 1 0.92 0.02 . 2 . . 1 A 141 LEU HD13 . 25251 1 337 . 1 1 61 61 LEU HD21 H 1 0.85 0.02 . 2 . . 1 A 141 LEU HD21 . 25251 1 338 . 1 1 61 61 LEU HD22 H 1 0.85 0.02 . 2 . . 1 A 141 LEU HD22 . 25251 1 339 . 1 1 61 61 LEU HD23 H 1 0.85 0.02 . 2 . . 1 A 141 LEU HD23 . 25251 1 340 . 1 1 61 61 LEU CA C 13 54.31 0.25 . 1 . . 1 A 141 LEU CA . 25251 1 341 . 1 1 61 61 LEU N N 15 125.17 0.15 . 1 . . 1 A 141 LEU N . 25251 1 342 . 1 1 62 62 ILE H H 1 6.95 0.02 . 1 . . 1 A 142 ILE H . 25251 1 343 . 1 1 62 62 ILE HA H 1 3.92 0.02 . 1 . . 1 A 142 ILE HA . 25251 1 344 . 1 1 62 62 ILE HB H 1 1.10 0.02 . 1 . . 1 A 142 ILE HB . 25251 1 345 . 1 1 62 62 ILE HG12 H 1 0.85 0.02 . 2 . . 1 A 142 ILE HG12 . 25251 1 346 . 1 1 62 62 ILE HG13 H 1 0.67 0.02 . 2 . . 1 A 142 ILE HG13 . 25251 1 347 . 1 1 62 62 ILE HG21 H 1 -0.01 0.02 . 1 . . 1 A 142 ILE HG21 . 25251 1 348 . 1 1 62 62 ILE HG22 H 1 -0.01 0.02 . 1 . . 1 A 142 ILE HG22 . 25251 1 349 . 1 1 62 62 ILE HG23 H 1 -0.01 0.02 . 1 . . 1 A 142 ILE HG23 . 25251 1 350 . 1 1 62 62 ILE HD11 H 1 0.37 0.02 . 1 . . 1 A 142 ILE HD11 . 25251 1 351 . 1 1 62 62 ILE HD12 H 1 0.37 0.02 . 1 . . 1 A 142 ILE HD12 . 25251 1 352 . 1 1 62 62 ILE HD13 H 1 0.37 0.02 . 1 . . 1 A 142 ILE HD13 . 25251 1 353 . 1 1 62 62 ILE CA C 13 59.50 0.25 . 1 . . 1 A 142 ILE CA . 25251 1 354 . 1 1 62 62 ILE N N 15 122.27 0.15 . 1 . . 1 A 142 ILE N . 25251 1 355 . 1 1 63 63 HIS H H 1 8.30 0.02 . 1 . . 1 A 143 HIS H . 25251 1 356 . 1 1 63 63 HIS HA H 1 4.92 0.02 . 1 . . 1 A 143 HIS HA . 25251 1 357 . 1 1 63 63 HIS HB2 H 1 3.28 0.02 . 2 . . 1 A 143 HIS HB2 . 25251 1 358 . 1 1 63 63 HIS HB3 H 1 2.96 0.02 . 2 . . 1 A 143 HIS HB3 . 25251 1 359 . 1 1 63 63 HIS CA C 13 54.05 0.25 . 1 . . 1 A 143 HIS CA . 25251 1 360 . 1 1 63 63 HIS N N 15 121.93 0.15 . 1 . . 1 A 143 HIS N . 25251 1 361 . 1 1 64 64 PHE H H 1 10.29 0.02 . 1 . . 1 A 144 PHE H . 25251 1 362 . 1 1 64 64 PHE HA H 1 4.20 0.02 . 1 . . 1 A 144 PHE HA . 25251 1 363 . 1 1 64 64 PHE HB2 H 1 3.29 0.02 . 2 . . 1 A 144 PHE HB2 . 25251 1 364 . 1 1 64 64 PHE HB3 H 1 2.83 0.02 . 2 . . 1 A 144 PHE HB3 . 25251 1 365 . 1 1 64 64 PHE HD1 H 1 7.36 0.02 . 3 . . 1 A 144 PHE HD1 . 25251 1 366 . 1 1 64 64 PHE HD2 H 1 7.36 0.02 . 3 . . 1 A 144 PHE HD2 . 25251 1 367 . 1 1 64 64 PHE HE1 H 1 6.89 0.02 . 3 . . 1 A 144 PHE HE1 . 25251 1 368 . 1 1 64 64 PHE HE2 H 1 6.89 0.02 . 3 . . 1 A 144 PHE HE2 . 25251 1 369 . 1 1 64 64 PHE HZ H 1 6.53 0.02 . 1 . . 1 A 144 PHE HZ . 25251 1 370 . 1 1 64 64 PHE CA C 13 59.88 0.25 . 1 . . 1 A 144 PHE CA . 25251 1 371 . 1 1 64 64 PHE N N 15 125.28 0.15 . 1 . . 1 A 144 PHE N . 25251 1 372 . 1 1 65 65 GLY H H 1 9.01 0.02 . 1 . . 1 A 145 GLY H . 25251 1 373 . 1 1 65 65 GLY HA2 H 1 4.10 0.02 . 2 . . 1 A 145 GLY HA2 . 25251 1 374 . 1 1 65 65 GLY HA3 H 1 3.71 0.02 . 2 . . 1 A 145 GLY HA3 . 25251 1 375 . 1 1 65 65 GLY CA C 13 45.64 0.25 . 1 . . 1 A 145 GLY CA . 25251 1 376 . 1 1 65 65 GLY N N 15 108.73 0.15 . 1 . . 1 A 145 GLY N . 25251 1 377 . 1 1 66 66 ASN H H 1 7.26 0.02 . 1 . . 1 A 146 ASN H . 25251 1 378 . 1 1 66 66 ASN HA H 1 4.84 0.02 . 1 . . 1 A 146 ASN HA . 25251 1 379 . 1 1 66 66 ASN HB2 H 1 2.82 0.02 . 2 . . 1 A 146 ASN HB2 . 25251 1 380 . 1 1 66 66 ASN HB3 H 1 2.79 0.02 . 2 . . 1 A 146 ASN HB3 . 25251 1 381 . 1 1 66 66 ASN HD21 H 1 7.50 0.02 . 1 . . 1 A 146 ASN HD21 . 25251 1 382 . 1 1 66 66 ASN HD22 H 1 7.54 0.02 . 1 . . 1 A 146 ASN HD22 . 25251 1 383 . 1 1 66 66 ASN CA C 13 52.55 0.25 . 1 . . 1 A 146 ASN CA . 25251 1 384 . 1 1 66 66 ASN N N 15 114.44 0.15 . 1 . . 1 A 146 ASN N . 25251 1 385 . 1 1 66 66 ASN ND2 N 15 116.16 0.15 . 1 . . 1 A 146 ASN ND2 . 25251 1 386 . 1 1 67 67 ASP H H 1 8.96 0.02 . 1 . . 1 A 147 ASP H . 25251 1 387 . 1 1 67 67 ASP HA H 1 4.41 0.02 . 1 . . 1 A 147 ASP HA . 25251 1 388 . 1 1 67 67 ASP HB2 H 1 2.70 0.02 . 1 . . 1 A 147 ASP HB2 . 25251 1 389 . 1 1 67 67 ASP HB3 H 1 2.70 0.02 . 1 . . 1 A 147 ASP HB3 . 25251 1 390 . 1 1 67 67 ASP CA C 13 57.78 0.25 . 1 . . 1 A 147 ASP CA . 25251 1 391 . 1 1 67 67 ASP N N 15 123.42 0.15 . 1 . . 1 A 147 ASP N . 25251 1 392 . 1 1 68 68 TYR H H 1 8.37 0.02 . 1 . . 1 A 148 TYR H . 25251 1 393 . 1 1 68 68 TYR HA H 1 4.20 0.02 . 1 . . 1 A 148 TYR HA . 25251 1 394 . 1 1 68 68 TYR HB2 H 1 3.21 0.02 . 2 . . 1 A 148 TYR HB2 . 25251 1 395 . 1 1 68 68 TYR HB3 H 1 3.03 0.02 . 2 . . 1 A 148 TYR HB3 . 25251 1 396 . 1 1 68 68 TYR HD1 H 1 7.05 0.02 . 3 . . 1 A 148 TYR HD1 . 25251 1 397 . 1 1 68 68 TYR HD2 H 1 7.05 0.02 . 3 . . 1 A 148 TYR HD2 . 25251 1 398 . 1 1 68 68 TYR HE1 H 1 6.72 0.02 . 3 . . 1 A 148 TYR HE1 . 25251 1 399 . 1 1 68 68 TYR HE2 H 1 6.72 0.02 . 3 . . 1 A 148 TYR HE2 . 25251 1 400 . 1 1 68 68 TYR CA C 13 61.69 0.25 . 1 . . 1 A 148 TYR CA . 25251 1 401 . 1 1 68 68 TYR N N 15 120.14 0.15 . 1 . . 1 A 148 TYR N . 25251 1 402 . 1 1 69 69 GLU H H 1 8.31 0.02 . 1 . . 1 A 149 GLU H . 25251 1 403 . 1 1 69 69 GLU HA H 1 3.53 0.02 . 1 . . 1 A 149 GLU HA . 25251 1 404 . 1 1 69 69 GLU HB2 H 1 1.37 0.02 . 2 . . 1 A 149 GLU HB2 . 25251 1 405 . 1 1 69 69 GLU HB3 H 1 1.86 0.02 . 2 . . 1 A 149 GLU HB3 . 25251 1 406 . 1 1 69 69 GLU HG2 H 1 2.44 0.02 . 2 . . 1 A 149 GLU HG2 . 25251 1 407 . 1 1 69 69 GLU HG3 H 1 1.82 0.02 . 2 . . 1 A 149 GLU HG3 . 25251 1 408 . 1 1 69 69 GLU CA C 13 59.79 0.25 . 1 . . 1 A 149 GLU CA . 25251 1 409 . 1 1 69 69 GLU N N 15 119.66 0.15 . 1 . . 1 A 149 GLU N . 25251 1 410 . 1 1 70 70 ASP H H 1 7.99 0.02 . 1 . . 1 A 150 ASP H . 25251 1 411 . 1 1 70 70 ASP HA H 1 4.68 0.02 . 1 . . 1 A 150 ASP HA . 25251 1 412 . 1 1 70 70 ASP HB2 H 1 2.82 0.02 . 2 . . 1 A 150 ASP HB2 . 25251 1 413 . 1 1 70 70 ASP HB3 H 1 2.92 0.02 . 2 . . 1 A 150 ASP HB3 . 25251 1 414 . 1 1 70 70 ASP CA C 13 58.53 0.25 . 1 . . 1 A 150 ASP CA . 25251 1 415 . 1 1 70 70 ASP N N 15 118.27 0.15 . 1 . . 1 A 150 ASP N . 25251 1 416 . 1 1 71 71 ARG H H 1 8.08 0.02 . 1 . . 1 A 151 ARG H . 25251 1 417 . 1 1 71 71 ARG HA H 1 3.98 0.02 . 1 . . 1 A 151 ARG HA . 25251 1 418 . 1 1 71 71 ARG HB2 H 1 1.89 0.02 . 1 . . 1 A 151 ARG HB2 . 25251 1 419 . 1 1 71 71 ARG HB3 H 1 1.89 0.02 . 1 . . 1 A 151 ARG HB3 . 25251 1 420 . 1 1 71 71 ARG HG2 H 1 1.52 0.02 . 2 . . 1 A 151 ARG HG2 . 25251 1 421 . 1 1 71 71 ARG HG3 H 1 1.71 0.02 . 2 . . 1 A 151 ARG HG3 . 25251 1 422 . 1 1 71 71 ARG CA C 13 59.40 0.25 . 1 . . 1 A 151 ARG CA . 25251 1 423 . 1 1 71 71 ARG N N 15 120.12 0.15 . 1 . . 1 A 151 ARG N . 25251 1 424 . 1 1 72 72 TYR H H 1 8.44 0.02 . 1 . . 1 A 152 TYR H . 25251 1 425 . 1 1 72 72 TYR HA H 1 3.84 0.02 . 1 . . 1 A 152 TYR HA . 25251 1 426 . 1 1 72 72 TYR HB2 H 1 2.72 0.02 . 2 . . 1 A 152 TYR HB2 . 25251 1 427 . 1 1 72 72 TYR HB3 H 1 2.57 0.02 . 2 . . 1 A 152 TYR HB3 . 25251 1 428 . 1 1 72 72 TYR HD1 H 1 6.82 0.02 . 3 . . 1 A 152 TYR HD1 . 25251 1 429 . 1 1 72 72 TYR HD2 H 1 6.82 0.02 . 3 . . 1 A 152 TYR HD2 . 25251 1 430 . 1 1 72 72 TYR CA C 13 61.98 0.25 . 1 . . 1 A 152 TYR CA . 25251 1 431 . 1 1 72 72 TYR N N 15 121.19 0.15 . 1 . . 1 A 152 TYR N . 25251 1 432 . 1 1 73 73 TYR H H 1 8.80 0.02 . 1 . . 1 A 153 TYR H . 25251 1 433 . 1 1 73 73 TYR HA H 1 4.27 0.02 . 1 . . 1 A 153 TYR HA . 25251 1 434 . 1 1 73 73 TYR HB2 H 1 3.20 0.02 . 1 . . 1 A 153 TYR HB2 . 25251 1 435 . 1 1 73 73 TYR HB3 H 1 3.20 0.02 . 1 . . 1 A 153 TYR HB3 . 25251 1 436 . 1 1 73 73 TYR HD1 H 1 7.29 0.02 . 3 . . 1 A 153 TYR HD1 . 25251 1 437 . 1 1 73 73 TYR HD2 H 1 7.29 0.02 . 3 . . 1 A 153 TYR HD2 . 25251 1 438 . 1 1 73 73 TYR HE1 H 1 6.90 0.02 . 3 . . 1 A 153 TYR HE1 . 25251 1 439 . 1 1 73 73 TYR HE2 H 1 6.90 0.02 . 3 . . 1 A 153 TYR HE2 . 25251 1 440 . 1 1 73 73 TYR CA C 13 61.33 0.25 . 1 . . 1 A 153 TYR CA . 25251 1 441 . 1 1 73 73 TYR N N 15 119.24 0.15 . 1 . . 1 A 153 TYR N . 25251 1 442 . 1 1 74 74 ARG H H 1 7.65 0.02 . 1 . . 1 A 154 ARG H . 25251 1 443 . 1 1 74 74 ARG HA H 1 3.67 0.02 . 1 . . 1 A 154 ARG HA . 25251 1 444 . 1 1 74 74 ARG HB2 H 1 1.93 0.02 . 1 . . 1 A 154 ARG HB2 . 25251 1 445 . 1 1 74 74 ARG HB3 H 1 1.93 0.02 . 1 . . 1 A 154 ARG HB3 . 25251 1 446 . 1 1 74 74 ARG HG2 H 1 1.88 0.02 . 2 . . 1 A 154 ARG HG2 . 25251 1 447 . 1 1 74 74 ARG HG3 H 1 1.66 0.02 . 2 . . 1 A 154 ARG HG3 . 25251 1 448 . 1 1 74 74 ARG CA C 13 59.75 0.25 . 1 . . 1 A 154 ARG CA . 25251 1 449 . 1 1 74 74 ARG N N 15 116.78 0.15 . 1 . . 1 A 154 ARG N . 25251 1 450 . 1 1 75 75 GLU H H 1 8.00 0.02 . 1 . . 1 A 155 GLU H . 25251 1 451 . 1 1 75 75 GLU HA H 1 4.08 0.02 . 1 . . 1 A 155 GLU HA . 25251 1 452 . 1 1 75 75 GLU HB2 H 1 1.90 0.02 . 2 . . 1 A 155 GLU HB2 . 25251 1 453 . 1 1 75 75 GLU HB3 H 1 1.87 0.02 . 2 . . 1 A 155 GLU HB3 . 25251 1 454 . 1 1 75 75 GLU HG2 H 1 2.20 0.02 . 2 . . 1 A 155 GLU HG2 . 25251 1 455 . 1 1 75 75 GLU HG3 H 1 2.42 0.02 . 2 . . 1 A 155 GLU HG3 . 25251 1 456 . 1 1 75 75 GLU CA C 13 58.06 0.25 . 1 . . 1 A 155 GLU CA . 25251 1 457 . 1 1 75 75 GLU N N 15 115.76 0.15 . 1 . . 1 A 155 GLU N . 25251 1 458 . 1 1 76 76 ASN H H 1 7.55 0.02 . 1 . . 1 A 156 ASN H . 25251 1 459 . 1 1 76 76 ASN HA H 1 4.61 0.02 . 1 . . 1 A 156 ASN HA . 25251 1 460 . 1 1 76 76 ASN HB2 H 1 2.24 0.02 . 2 . . 1 A 156 ASN HB2 . 25251 1 461 . 1 1 76 76 ASN HB3 H 1 2.32 0.02 . 2 . . 1 A 156 ASN HB3 . 25251 1 462 . 1 1 76 76 ASN HD21 H 1 6.56 0.02 . 1 . . 1 A 156 ASN HD21 . 25251 1 463 . 1 1 76 76 ASN HD22 H 1 6.79 0.02 . 1 . . 1 A 156 ASN HD22 . 25251 1 464 . 1 1 76 76 ASN CA C 13 54.34 0.25 . 1 . . 1 A 156 ASN CA . 25251 1 465 . 1 1 76 76 ASN N N 15 115.18 0.15 . 1 . . 1 A 156 ASN N . 25251 1 466 . 1 1 76 76 ASN ND2 N 15 116.90 0.15 . 1 . . 1 A 156 ASN ND2 . 25251 1 467 . 1 1 77 77 MET H H 1 7.55 0.02 . 1 . . 1 A 157 MET H . 25251 1 468 . 1 1 77 77 MET HA H 1 3.64 0.02 . 1 . . 1 A 157 MET HA . 25251 1 469 . 1 1 77 77 MET HB2 H 1 1.72 0.02 . 2 . . 1 A 157 MET HB2 . 25251 1 470 . 1 1 77 77 MET HB3 H 1 1.58 0.02 . 2 . . 1 A 157 MET HB3 . 25251 1 471 . 1 1 77 77 MET HG2 H 1 2.14 0.02 . 2 . . 1 A 157 MET HG2 . 25251 1 472 . 1 1 77 77 MET HG3 H 1 1.94 0.02 . 2 . . 1 A 157 MET HG3 . 25251 1 473 . 1 1 77 77 MET CA C 13 59.90 0.25 . 1 . . 1 A 157 MET CA . 25251 1 474 . 1 1 77 77 MET N N 15 119.09 0.15 . 1 . . 1 A 157 MET N . 25251 1 475 . 1 1 78 78 TYR H H 1 7.58 0.02 . 1 . . 1 A 158 TYR H . 25251 1 476 . 1 1 78 78 TYR HA H 1 4.19 0.02 . 1 . . 1 A 158 TYR HA . 25251 1 477 . 1 1 78 78 TYR HB2 H 1 3.02 0.02 . 2 . . 1 A 158 TYR HB2 . 25251 1 478 . 1 1 78 78 TYR HB3 H 1 2.96 0.02 . 2 . . 1 A 158 TYR HB3 . 25251 1 479 . 1 1 78 78 TYR HD1 H 1 7.07 0.02 . 3 . . 1 A 158 TYR HD1 . 25251 1 480 . 1 1 78 78 TYR HD2 H 1 7.07 0.02 . 3 . . 1 A 158 TYR HD2 . 25251 1 481 . 1 1 78 78 TYR HE1 H 1 6.87 0.02 . 3 . . 1 A 158 TYR HE1 . 25251 1 482 . 1 1 78 78 TYR HE2 H 1 6.87 0.02 . 3 . . 1 A 158 TYR HE2 . 25251 1 483 . 1 1 78 78 TYR CA C 13 59.15 0.25 . 1 . . 1 A 158 TYR CA . 25251 1 484 . 1 1 78 78 TYR N N 15 114.33 0.15 . 1 . . 1 A 158 TYR N . 25251 1 485 . 1 1 79 79 ARG H H 1 7.54 0.02 . 1 . . 1 A 159 ARG H . 25251 1 486 . 1 1 79 79 ARG HA H 1 4.05 0.02 . 1 . . 1 A 159 ARG HA . 25251 1 487 . 1 1 79 79 ARG HB2 H 1 1.38 0.02 . 2 . . 1 A 159 ARG HB2 . 25251 1 488 . 1 1 79 79 ARG HB3 H 1 1.79 0.02 . 2 . . 1 A 159 ARG HB3 . 25251 1 489 . 1 1 79 79 ARG HG2 H 1 1.21 0.02 . 2 . . 1 A 159 ARG HG2 . 25251 1 490 . 1 1 79 79 ARG HG3 H 1 0.69 0.02 . 2 . . 1 A 159 ARG HG3 . 25251 1 491 . 1 1 79 79 ARG CA C 13 56.31 0.25 . 1 . . 1 A 159 ARG CA . 25251 1 492 . 1 1 79 79 ARG N N 15 118.60 0.15 . 1 . . 1 A 159 ARG N . 25251 1 493 . 1 1 80 80 TYR H H 1 7.40 0.02 . 1 . . 1 A 160 TYR H . 25251 1 494 . 1 1 80 80 TYR HA H 1 4.93 0.02 . 1 . . 1 A 160 TYR HA . 25251 1 495 . 1 1 80 80 TYR HB2 H 1 3.18 0.02 . 2 . . 1 A 160 TYR HB2 . 25251 1 496 . 1 1 80 80 TYR HB3 H 1 3.04 0.02 . 2 . . 1 A 160 TYR HB3 . 25251 1 497 . 1 1 80 80 TYR HD1 H 1 7.01 0.02 . 3 . . 1 A 160 TYR HD1 . 25251 1 498 . 1 1 80 80 TYR HD2 H 1 7.01 0.02 . 3 . . 1 A 160 TYR HD2 . 25251 1 499 . 1 1 80 80 TYR HE1 H 1 6.66 0.02 . 3 . . 1 A 160 TYR HE1 . 25251 1 500 . 1 1 80 80 TYR HE2 H 1 6.66 0.02 . 3 . . 1 A 160 TYR HE2 . 25251 1 501 . 1 1 80 80 TYR CA C 13 54.14 0.25 . 1 . . 1 A 160 TYR CA . 25251 1 502 . 1 1 80 80 TYR N N 15 119.82 0.15 . 1 . . 1 A 160 TYR N . 25251 1 503 . 1 1 81 81 PRO HA H 1 4.46 0.02 . 1 . . 1 A 161 PRO HA . 25251 1 504 . 1 1 81 81 PRO HB3 H 1 2.22 0.02 . 1 . . 1 A 161 PRO HB3 . 25251 1 505 . 1 1 81 81 PRO HD3 H 1 3.67 0.02 . 1 . . 1 A 161 PRO HD3 . 25251 1 506 . 1 1 81 81 PRO CA C 13 63.58 0.25 . 1 . . 1 A 161 PRO CA . 25251 1 507 . 1 1 82 82 ASN H H 1 8.50 0.02 . 1 . . 1 A 162 ASN H . 25251 1 508 . 1 1 82 82 ASN HA H 1 4.67 0.02 . 1 . . 1 A 162 ASN HA . 25251 1 509 . 1 1 82 82 ASN HB2 H 1 2.55 0.02 . 2 . . 1 A 162 ASN HB2 . 25251 1 510 . 1 1 82 82 ASN HB3 H 1 3.71 0.02 . 2 . . 1 A 162 ASN HB3 . 25251 1 511 . 1 1 82 82 ASN HD21 H 1 6.77 0.02 . 1 . . 1 A 162 ASN HD21 . 25251 1 512 . 1 1 82 82 ASN HD22 H 1 7.44 0.02 . 1 . . 1 A 162 ASN HD22 . 25251 1 513 . 1 1 82 82 ASN CA C 13 51.57 0.25 . 1 . . 1 A 162 ASN CA . 25251 1 514 . 1 1 82 82 ASN N N 15 115.48 0.15 . 1 . . 1 A 162 ASN N . 25251 1 515 . 1 1 82 82 ASN ND2 N 15 108.69 0.15 . 1 . . 1 A 162 ASN ND2 . 25251 1 516 . 1 1 83 83 GLN H H 1 7.30 0.02 . 1 . . 1 A 163 GLN H . 25251 1 517 . 1 1 83 83 GLN HA H 1 4.53 0.02 . 1 . . 1 A 163 GLN HA . 25251 1 518 . 1 1 83 83 GLN HB3 H 1 1.68 0.02 . 1 . . 1 A 163 GLN HB3 . 25251 1 519 . 1 1 83 83 GLN HG2 H 1 2.21 0.02 . 2 . . 1 A 163 GLN HG2 . 25251 1 520 . 1 1 83 83 GLN HG3 H 1 2.02 0.02 . 2 . . 1 A 163 GLN HG3 . 25251 1 521 . 1 1 83 83 GLN HE21 H 1 7.01 0.02 . 1 . . 1 A 163 GLN HE21 . 25251 1 522 . 1 1 83 83 GLN HE22 H 1 8.05 0.02 . 1 . . 1 A 163 GLN HE22 . 25251 1 523 . 1 1 83 83 GLN CA C 13 54.24 0.25 . 1 . . 1 A 163 GLN CA . 25251 1 524 . 1 1 83 83 GLN N N 15 112.87 0.15 . 1 . . 1 A 163 GLN N . 25251 1 525 . 1 1 83 83 GLN NE2 N 15 113.38 0.15 . 1 . . 1 A 163 GLN NE2 . 25251 1 526 . 1 1 84 84 VAL H H 1 8.61 0.02 . 1 . . 1 A 164 VAL H . 25251 1 527 . 1 1 84 84 VAL HA H 1 4.92 0.02 . 1 . . 1 A 164 VAL HA . 25251 1 528 . 1 1 84 84 VAL HB H 1 2.62 0.02 . 1 . . 1 A 164 VAL HB . 25251 1 529 . 1 1 84 84 VAL HG11 H 1 0.74 0.02 . 2 . . 1 A 164 VAL HG11 . 25251 1 530 . 1 1 84 84 VAL HG12 H 1 0.74 0.02 . 2 . . 1 A 164 VAL HG12 . 25251 1 531 . 1 1 84 84 VAL HG13 H 1 0.74 0.02 . 2 . . 1 A 164 VAL HG13 . 25251 1 532 . 1 1 84 84 VAL HG21 H 1 0.93 0.02 . 2 . . 1 A 164 VAL HG21 . 25251 1 533 . 1 1 84 84 VAL HG22 H 1 0.93 0.02 . 2 . . 1 A 164 VAL HG22 . 25251 1 534 . 1 1 84 84 VAL HG23 H 1 0.93 0.02 . 2 . . 1 A 164 VAL HG23 . 25251 1 535 . 1 1 84 84 VAL CA C 13 58.77 0.25 . 1 . . 1 A 164 VAL CA . 25251 1 536 . 1 1 84 84 VAL N N 15 112.97 0.15 . 1 . . 1 A 164 VAL N . 25251 1 537 . 1 1 85 85 TYR H H 1 8.43 0.02 . 1 . . 1 A 165 TYR H . 25251 1 538 . 1 1 85 85 TYR HA H 1 5.57 0.02 . 1 . . 1 A 165 TYR HA . 25251 1 539 . 1 1 85 85 TYR HB2 H 1 2.60 0.02 . 2 . . 1 A 165 TYR HB2 . 25251 1 540 . 1 1 85 85 TYR HB3 H 1 2.54 0.02 . 2 . . 1 A 165 TYR HB3 . 25251 1 541 . 1 1 85 85 TYR HD1 H 1 6.88 0.02 . 3 . . 1 A 165 TYR HD1 . 25251 1 542 . 1 1 85 85 TYR HD2 H 1 6.88 0.02 . 3 . . 1 A 165 TYR HD2 . 25251 1 543 . 1 1 85 85 TYR HE1 H 1 6.73 0.02 . 3 . . 1 A 165 TYR HE1 . 25251 1 544 . 1 1 85 85 TYR HE2 H 1 6.73 0.02 . 3 . . 1 A 165 TYR HE2 . 25251 1 545 . 1 1 85 85 TYR CA C 13 57.04 0.25 . 1 . . 1 A 165 TYR CA . 25251 1 546 . 1 1 85 85 TYR N N 15 121.19 0.15 . 1 . . 1 A 165 TYR N . 25251 1 547 . 1 1 86 86 TYR H H 1 8.55 0.02 . 1 . . 1 A 166 TYR H . 25251 1 548 . 1 1 86 86 TYR HA H 1 4.81 0.02 . 1 . . 1 A 166 TYR HA . 25251 1 549 . 1 1 86 86 TYR HB2 H 1 2.78 0.02 . 2 . . 1 A 166 TYR HB2 . 25251 1 550 . 1 1 86 86 TYR HB3 H 1 2.77 0.02 . 2 . . 1 A 166 TYR HB3 . 25251 1 551 . 1 1 86 86 TYR HD1 H 1 7.10 0.02 . 3 . . 1 A 166 TYR HD1 . 25251 1 552 . 1 1 86 86 TYR HD2 H 1 7.10 0.02 . 3 . . 1 A 166 TYR HD2 . 25251 1 553 . 1 1 86 86 TYR HE1 H 1 6.46 0.02 . 3 . . 1 A 166 TYR HE1 . 25251 1 554 . 1 1 86 86 TYR HE2 H 1 6.46 0.02 . 3 . . 1 A 166 TYR HE2 . 25251 1 555 . 1 1 86 86 TYR CA C 13 55.94 0.25 . 1 . . 1 A 166 TYR CA . 25251 1 556 . 1 1 86 86 TYR N N 15 111.09 0.15 . 1 . . 1 A 166 TYR N . 25251 1 557 . 1 1 87 87 ARG H H 1 8.45 0.02 . 1 . . 1 A 167 ARG H . 25251 1 558 . 1 1 87 87 ARG CA C 13 54.44 0.25 . 1 . . 1 A 167 ARG CA . 25251 1 559 . 1 1 87 87 ARG N N 15 121.56 0.15 . 1 . . 1 A 167 ARG N . 25251 1 560 . 1 1 88 88 PRO HA H 1 4.56 0.02 . 1 . . 1 A 168 PRO HA . 25251 1 561 . 1 1 88 88 PRO HB3 H 1 2.45 0.02 . 1 . . 1 A 168 PRO HB3 . 25251 1 562 . 1 1 88 88 PRO CA C 13 63.55 0.25 . 1 . . 1 A 168 PRO CA . 25251 1 563 . 1 1 89 89 VAL H H 1 8.58 0.02 . 1 . . 1 A 169 VAL H . 25251 1 564 . 1 1 89 89 VAL HA H 1 4.22 0.02 . 1 . . 1 A 169 VAL HA . 25251 1 565 . 1 1 89 89 VAL HB H 1 1.97 0.02 . 1 . . 1 A 169 VAL HB . 25251 1 566 . 1 1 89 89 VAL HG11 H 1 0.71 0.02 . 2 . . 1 A 169 VAL HG11 . 25251 1 567 . 1 1 89 89 VAL HG12 H 1 0.71 0.02 . 2 . . 1 A 169 VAL HG12 . 25251 1 568 . 1 1 89 89 VAL HG13 H 1 0.71 0.02 . 2 . . 1 A 169 VAL HG13 . 25251 1 569 . 1 1 89 89 VAL HG21 H 1 0.74 0.02 . 2 . . 1 A 169 VAL HG21 . 25251 1 570 . 1 1 89 89 VAL HG22 H 1 0.74 0.02 . 2 . . 1 A 169 VAL HG22 . 25251 1 571 . 1 1 89 89 VAL HG23 H 1 0.74 0.02 . 2 . . 1 A 169 VAL HG23 . 25251 1 572 . 1 1 89 89 VAL CA C 13 63.52 0.25 . 1 . . 1 A 169 VAL CA . 25251 1 573 . 1 1 89 89 VAL N N 15 119.19 0.15 . 1 . . 1 A 169 VAL N . 25251 1 574 . 1 1 90 90 ASP CA C 13 54.40 0.25 . 1 . . 1 A 170 ASP CA . 25251 1 575 . 1 1 91 91 GLN H H 1 8.22 0.02 . 1 . . 1 A 171 GLN H . 25251 1 576 . 1 1 91 91 GLN N N 15 115.59 0.15 . 1 . . 1 A 171 GLN N . 25251 1 577 . 1 1 94 94 ASN HB2 H 1 3.13 0.02 . 2 . . 1 A 174 ASN HB2 . 25251 1 578 . 1 1 94 94 ASN HB3 H 1 2.98 0.02 . 2 . . 1 A 174 ASN HB3 . 25251 1 579 . 1 1 94 94 ASN HD21 H 1 6.68 0.02 . 1 . . 1 A 174 ASN HD21 . 25251 1 580 . 1 1 94 94 ASN HD22 H 1 7.50 0.02 . 1 . . 1 A 174 ASN HD22 . 25251 1 581 . 1 1 94 94 ASN CA C 13 52.38 0.25 . 1 . . 1 A 174 ASN CA . 25251 1 582 . 1 1 94 94 ASN ND2 N 15 113.43 0.15 . 1 . . 1 A 174 ASN ND2 . 25251 1 583 . 1 1 95 95 GLN H H 1 8.62 0.02 . 1 . . 1 A 175 GLN H . 25251 1 584 . 1 1 95 95 GLN HA H 1 2.98 0.02 . 1 . . 1 A 175 GLN HA . 25251 1 585 . 1 1 95 95 GLN HB2 H 1 1.54 0.02 . 2 . . 1 A 175 GLN HB2 . 25251 1 586 . 1 1 95 95 GLN HB3 H 1 1.63 0.02 . 2 . . 1 A 175 GLN HB3 . 25251 1 587 . 1 1 95 95 GLN HG2 H 1 1.82 0.02 . 2 . . 1 A 175 GLN HG2 . 25251 1 588 . 1 1 95 95 GLN HG3 H 1 1.05 0.02 . 2 . . 1 A 175 GLN HG3 . 25251 1 589 . 1 1 95 95 GLN HE21 H 1 6.87 0.02 . 1 . . 1 A 175 GLN HE21 . 25251 1 590 . 1 1 95 95 GLN HE22 H 1 7.23 0.02 . 1 . . 1 A 175 GLN HE22 . 25251 1 591 . 1 1 95 95 GLN CA C 13 59.07 0.25 . 1 . . 1 A 175 GLN CA . 25251 1 592 . 1 1 95 95 GLN N N 15 119.82 0.15 . 1 . . 1 A 175 GLN N . 25251 1 593 . 1 1 95 95 GLN NE2 N 15 111.69 0.15 . 1 . . 1 A 175 GLN NE2 . 25251 1 594 . 1 1 96 96 ASN H H 1 8.40 0.02 . 1 . . 1 A 176 ASN H . 25251 1 595 . 1 1 96 96 ASN HA H 1 4.23 0.02 . 1 . . 1 A 176 ASN HA . 25251 1 596 . 1 1 96 96 ASN HB2 H 1 2.72 0.02 . 2 . . 1 A 176 ASN HB2 . 25251 1 597 . 1 1 96 96 ASN HB3 H 1 2.67 0.02 . 2 . . 1 A 176 ASN HB3 . 25251 1 598 . 1 1 96 96 ASN HD21 H 1 7.56 0.02 . 1 . . 1 A 176 ASN HD21 . 25251 1 599 . 1 1 96 96 ASN HD22 H 1 6.88 0.02 . 1 . . 1 A 176 ASN HD22 . 25251 1 600 . 1 1 96 96 ASN CA C 13 56.49 0.25 . 1 . . 1 A 176 ASN CA . 25251 1 601 . 1 1 96 96 ASN N N 15 117.32 0.15 . 1 . . 1 A 176 ASN N . 25251 1 602 . 1 1 96 96 ASN ND2 N 15 112.56 0.15 . 1 . . 1 A 176 ASN ND2 . 25251 1 603 . 1 1 97 97 ASN H H 1 8.59 0.02 . 1 . . 1 A 177 ASN H . 25251 1 604 . 1 1 97 97 ASN HA H 1 4.56 0.02 . 1 . . 1 A 177 ASN HA . 25251 1 605 . 1 1 97 97 ASN HB2 H 1 2.91 0.02 . 2 . . 1 A 177 ASN HB2 . 25251 1 606 . 1 1 97 97 ASN HB3 H 1 3.14 0.02 . 2 . . 1 A 177 ASN HB3 . 25251 1 607 . 1 1 97 97 ASN HD21 H 1 7.15 0.02 . 1 . . 1 A 177 ASN HD21 . 25251 1 608 . 1 1 97 97 ASN HD22 H 1 7.65 0.02 . 1 . . 1 A 177 ASN HD22 . 25251 1 609 . 1 1 97 97 ASN CA C 13 56.16 0.25 . 1 . . 1 A 177 ASN CA . 25251 1 610 . 1 1 97 97 ASN N N 15 118.47 0.15 . 1 . . 1 A 177 ASN N . 25251 1 611 . 1 1 97 97 ASN ND2 N 15 111.75 0.15 . 1 . . 1 A 177 ASN ND2 . 25251 1 612 . 1 1 98 98 PHE H H 1 8.41 0.02 . 1 . . 1 A 178 PHE H . 25251 1 613 . 1 1 98 98 PHE HA H 1 4.21 0.02 . 1 . . 1 A 178 PHE HA . 25251 1 614 . 1 1 98 98 PHE HB2 H 1 2.63 0.02 . 2 . . 1 A 178 PHE HB2 . 25251 1 615 . 1 1 98 98 PHE HB3 H 1 3.12 0.02 . 2 . . 1 A 178 PHE HB3 . 25251 1 616 . 1 1 98 98 PHE HD1 H 1 6.66 0.02 . 3 . . 1 A 178 PHE HD1 . 25251 1 617 . 1 1 98 98 PHE HD2 H 1 6.66 0.02 . 3 . . 1 A 178 PHE HD2 . 25251 1 618 . 1 1 98 98 PHE HE1 H 1 7.82 0.02 . 3 . . 1 A 178 PHE HE1 . 25251 1 619 . 1 1 98 98 PHE HE2 H 1 7.82 0.02 . 3 . . 1 A 178 PHE HE2 . 25251 1 620 . 1 1 98 98 PHE HZ H 1 7.23 0.02 . 1 . . 1 A 178 PHE HZ . 25251 1 621 . 1 1 98 98 PHE N N 15 121.17 0.15 . 1 . . 1 A 178 PHE N . 25251 1 622 . 1 1 99 99 VAL H H 1 8.90 0.02 . 1 . . 1 A 179 VAL H . 25251 1 623 . 1 1 99 99 VAL HA H 1 3.43 0.02 . 1 . . 1 A 179 VAL HA . 25251 1 624 . 1 1 99 99 VAL HB H 1 2.20 0.02 . 1 . . 1 A 179 VAL HB . 25251 1 625 . 1 1 99 99 VAL HG11 H 1 1.04 0.02 . 1 . . 1 A 179 VAL HG11 . 25251 1 626 . 1 1 99 99 VAL HG12 H 1 1.04 0.02 . 1 . . 1 A 179 VAL HG12 . 25251 1 627 . 1 1 99 99 VAL HG13 H 1 1.04 0.02 . 1 . . 1 A 179 VAL HG13 . 25251 1 628 . 1 1 99 99 VAL HG21 H 1 1.04 0.02 . 1 . . 1 A 179 VAL HG21 . 25251 1 629 . 1 1 99 99 VAL HG22 H 1 1.04 0.02 . 1 . . 1 A 179 VAL HG22 . 25251 1 630 . 1 1 99 99 VAL HG23 H 1 1.04 0.02 . 1 . . 1 A 179 VAL HG23 . 25251 1 631 . 1 1 99 99 VAL CA C 13 67.69 0.25 . 1 . . 1 A 179 VAL CA . 25251 1 632 . 1 1 99 99 VAL N N 15 120.33 0.15 . 1 . . 1 A 179 VAL N . 25251 1 633 . 1 1 100 100 HIS H H 1 8.37 0.02 . 1 . . 1 A 180 HIS H . 25251 1 634 . 1 1 100 100 HIS HA H 1 4.31 0.02 . 1 . . 1 A 180 HIS HA . 25251 1 635 . 1 1 100 100 HIS HB2 H 1 3.35 0.02 . 2 . . 1 A 180 HIS HB2 . 25251 1 636 . 1 1 100 100 HIS HB3 H 1 3.30 0.02 . 2 . . 1 A 180 HIS HB3 . 25251 1 637 . 1 1 100 100 HIS CA C 13 59.33 0.25 . 1 . . 1 A 180 HIS CA . 25251 1 638 . 1 1 100 100 HIS N N 15 116.64 0.15 . 1 . . 1 A 180 HIS N . 25251 1 639 . 1 1 101 101 ASP H H 1 7.48 0.02 . 1 . . 1 A 181 ASP H . 25251 1 640 . 1 1 101 101 ASP HA H 1 4.55 0.02 . 1 . . 1 A 181 ASP HA . 25251 1 641 . 1 1 101 101 ASP HB2 H 1 2.93 0.02 . 1 . . 1 A 181 ASP HB2 . 25251 1 642 . 1 1 101 101 ASP HB3 H 1 2.93 0.02 . 1 . . 1 A 181 ASP HB3 . 25251 1 643 . 1 1 101 101 ASP CA C 13 57.17 0.25 . 1 . . 1 A 181 ASP CA . 25251 1 644 . 1 1 101 101 ASP N N 15 118.49 0.15 . 1 . . 1 A 181 ASP N . 25251 1 645 . 1 1 102 102 CYS H H 1 8.08 0.02 . 1 . . 1 A 182 CYS H . 25251 1 646 . 1 1 102 102 CYS HA H 1 4.68 0.02 . 1 . . 1 A 182 CYS HA . 25251 1 647 . 1 1 102 102 CYS HB2 H 1 2.92 0.02 . 2 . . 1 A 182 CYS HB2 . 25251 1 648 . 1 1 102 102 CYS HB3 H 1 3.23 0.02 . 2 . . 1 A 182 CYS HB3 . 25251 1 649 . 1 1 102 102 CYS CA C 13 58.46 0.25 . 1 . . 1 A 182 CYS CA . 25251 1 650 . 1 1 102 102 CYS N N 15 119.32 0.15 . 1 . . 1 A 182 CYS N . 25251 1 651 . 1 1 103 103 VAL H H 1 9.17 0.02 . 1 . . 1 A 183 VAL H . 25251 1 652 . 1 1 103 103 VAL HA H 1 3.65 0.02 . 1 . . 1 A 183 VAL HA . 25251 1 653 . 1 1 103 103 VAL HB H 1 2.12 0.02 . 1 . . 1 A 183 VAL HB . 25251 1 654 . 1 1 103 103 VAL HG11 H 1 1.05 0.02 . 2 . . 1 A 183 VAL HG11 . 25251 1 655 . 1 1 103 103 VAL HG12 H 1 1.05 0.02 . 2 . . 1 A 183 VAL HG12 . 25251 1 656 . 1 1 103 103 VAL HG13 H 1 1.05 0.02 . 2 . . 1 A 183 VAL HG13 . 25251 1 657 . 1 1 103 103 VAL HG21 H 1 0.93 0.02 . 2 . . 1 A 183 VAL HG21 . 25251 1 658 . 1 1 103 103 VAL HG22 H 1 0.93 0.02 . 2 . . 1 A 183 VAL HG22 . 25251 1 659 . 1 1 103 103 VAL HG23 H 1 0.93 0.02 . 2 . . 1 A 183 VAL HG23 . 25251 1 660 . 1 1 103 103 VAL CA C 13 66.41 0.25 . 1 . . 1 A 183 VAL CA . 25251 1 661 . 1 1 103 103 VAL N N 15 124.48 0.15 . 1 . . 1 A 183 VAL N . 25251 1 662 . 1 1 104 104 ASN H H 1 7.64 0.02 . 1 . . 1 A 184 ASN H . 25251 1 663 . 1 1 104 104 ASN HA H 1 4.28 0.02 . 1 . . 1 A 184 ASN HA . 25251 1 664 . 1 1 104 104 ASN HB2 H 1 2.84 0.02 . 2 . . 1 A 184 ASN HB2 . 25251 1 665 . 1 1 104 104 ASN HB3 H 1 2.77 0.02 . 2 . . 1 A 184 ASN HB3 . 25251 1 666 . 1 1 104 104 ASN HD21 H 1 6.75 0.02 . 1 . . 1 A 184 ASN HD21 . 25251 1 667 . 1 1 104 104 ASN HD22 H 1 7.64 0.02 . 1 . . 1 A 184 ASN HD22 . 25251 1 668 . 1 1 104 104 ASN CA C 13 56.65 0.25 . 1 . . 1 A 184 ASN CA . 25251 1 669 . 1 1 104 104 ASN N N 15 116.53 0.15 . 1 . . 1 A 184 ASN N . 25251 1 670 . 1 1 104 104 ASN ND2 N 15 111.96 0.15 . 1 . . 1 A 184 ASN ND2 . 25251 1 671 . 1 1 105 105 ILE H H 1 8.63 0.02 . 1 . . 1 A 185 ILE H . 25251 1 672 . 1 1 105 105 ILE HA H 1 3.71 0.02 . 1 . . 1 A 185 ILE HA . 25251 1 673 . 1 1 105 105 ILE HB H 1 1.54 0.02 . 1 . . 1 A 185 ILE HB . 25251 1 674 . 1 1 105 105 ILE HG12 H 1 0.85 0.02 . 2 . . 1 A 185 ILE HG12 . 25251 1 675 . 1 1 105 105 ILE HG13 H 1 0.83 0.02 . 2 . . 1 A 185 ILE HG13 . 25251 1 676 . 1 1 105 105 ILE HG21 H 1 0.21 0.02 . 1 . . 1 A 185 ILE HG21 . 25251 1 677 . 1 1 105 105 ILE HG22 H 1 0.21 0.02 . 1 . . 1 A 185 ILE HG22 . 25251 1 678 . 1 1 105 105 ILE HG23 H 1 0.21 0.02 . 1 . . 1 A 185 ILE HG23 . 25251 1 679 . 1 1 105 105 ILE HD11 H 1 0.37 0.02 . 1 . . 1 A 185 ILE HD11 . 25251 1 680 . 1 1 105 105 ILE HD12 H 1 0.37 0.02 . 1 . . 1 A 185 ILE HD12 . 25251 1 681 . 1 1 105 105 ILE HD13 H 1 0.37 0.02 . 1 . . 1 A 185 ILE HD13 . 25251 1 682 . 1 1 105 105 ILE CA C 13 62.26 0.25 . 1 . . 1 A 185 ILE CA . 25251 1 683 . 1 1 105 105 ILE N N 15 117.85 0.15 . 1 . . 1 A 185 ILE N . 25251 1 684 . 1 1 106 106 THR H H 1 8.11 0.02 . 1 . . 1 A 186 THR H . 25251 1 685 . 1 1 106 106 THR HA H 1 4.02 0.02 . 1 . . 1 A 186 THR HA . 25251 1 686 . 1 1 106 106 THR HB H 1 4.49 0.02 . 1 . . 1 A 186 THR HB . 25251 1 687 . 1 1 106 106 THR HG21 H 1 1.53 0.02 . 1 . . 1 A 186 THR HG21 . 25251 1 688 . 1 1 106 106 THR HG22 H 1 1.53 0.02 . 1 . . 1 A 186 THR HG22 . 25251 1 689 . 1 1 106 106 THR HG23 H 1 1.53 0.02 . 1 . . 1 A 186 THR HG23 . 25251 1 690 . 1 1 106 106 THR CA C 13 68.82 0.25 . 1 . . 1 A 186 THR CA . 25251 1 691 . 1 1 106 106 THR N N 15 117.98 0.15 . 1 . . 1 A 186 THR N . 25251 1 692 . 1 1 107 107 VAL H H 1 8.70 0.02 . 1 . . 1 A 187 VAL H . 25251 1 693 . 1 1 107 107 VAL HA H 1 3.58 0.02 . 1 . . 1 A 187 VAL HA . 25251 1 694 . 1 1 107 107 VAL HB H 1 2.24 0.02 . 1 . . 1 A 187 VAL HB . 25251 1 695 . 1 1 107 107 VAL HG11 H 1 0.91 0.02 . 2 . . 1 A 187 VAL HG11 . 25251 1 696 . 1 1 107 107 VAL HG12 H 1 0.91 0.02 . 2 . . 1 A 187 VAL HG12 . 25251 1 697 . 1 1 107 107 VAL HG13 H 1 0.91 0.02 . 2 . . 1 A 187 VAL HG13 . 25251 1 698 . 1 1 107 107 VAL HG21 H 1 0.99 0.02 . 2 . . 1 A 187 VAL HG21 . 25251 1 699 . 1 1 107 107 VAL HG22 H 1 0.99 0.02 . 2 . . 1 A 187 VAL HG22 . 25251 1 700 . 1 1 107 107 VAL HG23 H 1 0.99 0.02 . 2 . . 1 A 187 VAL HG23 . 25251 1 701 . 1 1 107 107 VAL CA C 13 67.78 0.25 . 1 . . 1 A 187 VAL CA . 25251 1 702 . 1 1 107 107 VAL N N 15 120.32 0.15 . 1 . . 1 A 187 VAL N . 25251 1 703 . 1 1 108 108 LYS H H 1 7.79 0.02 . 1 . . 1 A 188 LYS H . 25251 1 704 . 1 1 108 108 LYS HA H 1 4.01 0.02 . 1 . . 1 A 188 LYS HA . 25251 1 705 . 1 1 108 108 LYS HB2 H 1 1.82 0.02 . 2 . . 1 A 188 LYS HB2 . 25251 1 706 . 1 1 108 108 LYS HB3 H 1 1.91 0.02 . 2 . . 1 A 188 LYS HB3 . 25251 1 707 . 1 1 108 108 LYS HG2 H 1 1.50 0.02 . 2 . . 1 A 188 LYS HG2 . 25251 1 708 . 1 1 108 108 LYS HG3 H 1 1.47 0.02 . 2 . . 1 A 188 LYS HG3 . 25251 1 709 . 1 1 108 108 LYS CA C 13 59.67 0.25 . 1 . . 1 A 188 LYS CA . 25251 1 710 . 1 1 108 108 LYS N N 15 120.35 0.15 . 1 . . 1 A 188 LYS N . 25251 1 711 . 1 1 109 109 GLN H H 1 8.14 0.02 . 1 . . 1 A 189 GLN H . 25251 1 712 . 1 1 109 109 GLN HA H 1 3.99 0.02 . 1 . . 1 A 189 GLN HA . 25251 1 713 . 1 1 109 109 GLN HB2 H 1 2.12 0.02 . 2 . . 1 A 189 GLN HB2 . 25251 1 714 . 1 1 109 109 GLN HB3 H 1 1.93 0.02 . 2 . . 1 A 189 GLN HB3 . 25251 1 715 . 1 1 109 109 GLN HG3 H 1 1.82 0.02 . 1 . . 1 A 189 GLN HG3 . 25251 1 716 . 1 1 109 109 GLN HE21 H 1 6.70 0.02 . 1 . . 1 A 189 GLN HE21 . 25251 1 717 . 1 1 109 109 GLN HE22 H 1 6.72 0.02 . 1 . . 1 A 189 GLN HE22 . 25251 1 718 . 1 1 109 109 GLN CA C 13 57.15 0.25 . 1 . . 1 A 189 GLN CA . 25251 1 719 . 1 1 109 109 GLN N N 15 115.39 0.15 . 1 . . 1 A 189 GLN N . 25251 1 720 . 1 1 109 109 GLN NE2 N 15 110.66 0.15 . 1 . . 1 A 189 GLN NE2 . 25251 1 721 . 1 1 110 110 HIS H H 1 7.80 0.02 . 1 . . 1 A 190 HIS H . 25251 1 722 . 1 1 110 110 HIS HA H 1 4.56 0.02 . 1 . . 1 A 190 HIS HA . 25251 1 723 . 1 1 110 110 HIS HB2 H 1 3.21 0.02 . 2 . . 1 A 190 HIS HB2 . 25251 1 724 . 1 1 110 110 HIS HB3 H 1 3.28 0.02 . 2 . . 1 A 190 HIS HB3 . 25251 1 725 . 1 1 110 110 HIS CA C 13 58.10 0.25 . 1 . . 1 A 190 HIS CA . 25251 1 726 . 1 1 110 110 HIS N N 15 116.80 0.15 . 1 . . 1 A 190 HIS N . 25251 1 727 . 1 1 111 111 THR H H 1 7.91 0.02 . 1 . . 1 A 191 THR H . 25251 1 728 . 1 1 111 111 THR HA H 1 4.36 0.02 . 1 . . 1 A 191 THR HA . 25251 1 729 . 1 1 111 111 THR HG21 H 1 1.12 0.02 . 1 . . 1 A 191 THR HG21 . 25251 1 730 . 1 1 111 111 THR HG22 H 1 1.12 0.02 . 1 . . 1 A 191 THR HG22 . 25251 1 731 . 1 1 111 111 THR HG23 H 1 1.12 0.02 . 1 . . 1 A 191 THR HG23 . 25251 1 732 . 1 1 111 111 THR CA C 13 62.96 0.25 . 1 . . 1 A 191 THR CA . 25251 1 733 . 1 1 111 111 THR N N 15 110.42 0.15 . 1 . . 1 A 191 THR N . 25251 1 734 . 1 1 112 112 VAL H H 1 7.61 0.02 . 1 . . 1 A 192 VAL H . 25251 1 735 . 1 1 112 112 VAL HA H 1 4.17 0.02 . 1 . . 1 A 192 VAL HA . 25251 1 736 . 1 1 112 112 VAL HB H 1 2.21 0.02 . 1 . . 1 A 192 VAL HB . 25251 1 737 . 1 1 112 112 VAL HG11 H 1 0.94 0.02 . 1 . . 1 A 192 VAL HG11 . 25251 1 738 . 1 1 112 112 VAL HG12 H 1 0.94 0.02 . 1 . . 1 A 192 VAL HG12 . 25251 1 739 . 1 1 112 112 VAL HG13 H 1 0.94 0.02 . 1 . . 1 A 192 VAL HG13 . 25251 1 740 . 1 1 112 112 VAL HG21 H 1 0.94 0.02 . 1 . . 1 A 192 VAL HG21 . 25251 1 741 . 1 1 112 112 VAL HG22 H 1 0.94 0.02 . 1 . . 1 A 192 VAL HG22 . 25251 1 742 . 1 1 112 112 VAL HG23 H 1 0.94 0.02 . 1 . . 1 A 192 VAL HG23 . 25251 1 743 . 1 1 112 112 VAL CA C 13 63.09 0.25 . 1 . . 1 A 192 VAL CA . 25251 1 744 . 1 1 112 112 VAL N N 15 119.65 0.15 . 1 . . 1 A 192 VAL N . 25251 1 745 . 1 1 113 113 LYS H H 1 7.92 0.02 . 1 . . 1 A 197 LYS H . 25251 1 746 . 1 1 113 113 LYS HA H 1 4.29 0.02 . 1 . . 1 A 197 LYS HA . 25251 1 747 . 1 1 113 113 LYS HB2 H 1 1.81 0.02 . 2 . . 1 A 197 LYS HB2 . 25251 1 748 . 1 1 113 113 LYS HB3 H 1 1.88 0.02 . 2 . . 1 A 197 LYS HB3 . 25251 1 749 . 1 1 113 113 LYS HG3 H 1 1.50 0.02 . 1 . . 1 A 197 LYS HG3 . 25251 1 750 . 1 1 113 113 LYS CA C 13 56.85 0.25 . 1 . . 1 A 197 LYS CA . 25251 1 751 . 1 1 113 113 LYS N N 15 121.50 0.15 . 1 . . 1 A 197 LYS N . 25251 1 752 . 1 1 114 114 GLY H H 1 8.15 0.02 . 1 . . 1 A 198 GLY H . 25251 1 753 . 1 1 114 114 GLY HA2 H 1 3.84 0.02 . 2 . . 1 A 198 GLY HA2 . 25251 1 754 . 1 1 114 114 GLY HA3 H 1 4.00 0.02 . 2 . . 1 A 198 GLY HA3 . 25251 1 755 . 1 1 114 114 GLY CA C 13 45.60 0.25 . 1 . . 1 A 198 GLY CA . 25251 1 756 . 1 1 114 114 GLY N N 15 108.97 0.15 . 1 . . 1 A 198 GLY N . 25251 1 757 . 1 1 115 115 GLU H H 1 8.00 0.02 . 1 . . 1 A 199 GLU H . 25251 1 758 . 1 1 115 115 GLU HA H 1 4.21 0.02 . 1 . . 1 A 199 GLU HA . 25251 1 759 . 1 1 115 115 GLU HB2 H 1 1.71 0.02 . 1 . . 1 A 199 GLU HB2 . 25251 1 760 . 1 1 115 115 GLU HB3 H 1 1.71 0.02 . 1 . . 1 A 199 GLU HB3 . 25251 1 761 . 1 1 115 115 GLU HG2 H 1 2.11 0.02 . 2 . . 1 A 199 GLU HG2 . 25251 1 762 . 1 1 115 115 GLU HG3 H 1 2.20 0.02 . 2 . . 1 A 199 GLU HG3 . 25251 1 763 . 1 1 115 115 GLU CA C 13 56.32 0.25 . 1 . . 1 A 199 GLU CA . 25251 1 764 . 1 1 115 115 GLU N N 15 119.48 0.15 . 1 . . 1 A 199 GLU N . 25251 1 765 . 1 1 116 116 ASN H H 1 8.41 0.02 . 1 . . 1 A 200 ASN H . 25251 1 766 . 1 1 116 116 ASN HA H 1 4.58 0.02 . 1 . . 1 A 200 ASN HA . 25251 1 767 . 1 1 116 116 ASN HB2 H 1 2.62 0.02 . 2 . . 1 A 200 ASN HB2 . 25251 1 768 . 1 1 116 116 ASN HB3 H 1 2.72 0.02 . 2 . . 1 A 200 ASN HB3 . 25251 1 769 . 1 1 116 116 ASN HD21 H 1 7.52 0.02 . 1 . . 1 A 200 ASN HD21 . 25251 1 770 . 1 1 116 116 ASN HD22 H 1 6.82 0.02 . 1 . . 1 A 200 ASN HD22 . 25251 1 771 . 1 1 116 116 ASN CA C 13 53.26 0.25 . 1 . . 1 A 200 ASN CA . 25251 1 772 . 1 1 116 116 ASN N N 15 118.43 0.15 . 1 . . 1 A 200 ASN N . 25251 1 773 . 1 1 116 116 ASN ND2 N 15 112.75 0.15 . 1 . . 1 A 200 ASN ND2 . 25251 1 774 . 1 1 117 117 PHE H H 1 8.27 0.02 . 1 . . 1 A 201 PHE H . 25251 1 775 . 1 1 117 117 PHE HA H 1 5.16 0.02 . 1 . . 1 A 201 PHE HA . 25251 1 776 . 1 1 117 117 PHE HB2 H 1 2.98 0.02 . 2 . . 1 A 201 PHE HB2 . 25251 1 777 . 1 1 117 117 PHE HB3 H 1 3.16 0.02 . 2 . . 1 A 201 PHE HB3 . 25251 1 778 . 1 1 117 117 PHE HD1 H 1 7.31 0.02 . 3 . . 1 A 201 PHE HD1 . 25251 1 779 . 1 1 117 117 PHE HD2 H 1 7.31 0.02 . 3 . . 1 A 201 PHE HD2 . 25251 1 780 . 1 1 117 117 PHE HE1 H 1 7.35 0.02 . 3 . . 1 A 201 PHE HE1 . 25251 1 781 . 1 1 117 117 PHE HE2 H 1 7.35 0.02 . 3 . . 1 A 201 PHE HE2 . 25251 1 782 . 1 1 117 117 PHE HZ H 1 7.42 0.02 . 1 . . 1 A 201 PHE HZ . 25251 1 783 . 1 1 117 117 PHE CA C 13 57.01 0.25 . 1 . . 1 A 201 PHE CA . 25251 1 784 . 1 1 117 117 PHE N N 15 120.55 0.15 . 1 . . 1 A 201 PHE N . 25251 1 785 . 1 1 118 118 THR H H 1 9.65 0.02 . 1 . . 1 A 202 THR H . 25251 1 786 . 1 1 118 118 THR HA H 1 4.64 0.02 . 1 . . 1 A 202 THR HA . 25251 1 787 . 1 1 118 118 THR HB H 1 4.82 0.02 . 1 . . 1 A 202 THR HB . 25251 1 788 . 1 1 118 118 THR HG21 H 1 1.41 0.02 . 1 . . 1 A 202 THR HG21 . 25251 1 789 . 1 1 118 118 THR HG22 H 1 1.41 0.02 . 1 . . 1 A 202 THR HG22 . 25251 1 790 . 1 1 118 118 THR HG23 H 1 1.41 0.02 . 1 . . 1 A 202 THR HG23 . 25251 1 791 . 1 1 118 118 THR CA C 13 60.42 0.25 . 1 . . 1 A 202 THR CA . 25251 1 792 . 1 1 118 118 THR N N 15 115.55 0.15 . 1 . . 1 A 202 THR N . 25251 1 793 . 1 1 119 119 GLU H H 1 9.09 0.02 . 1 . . 1 A 203 GLU H . 25251 1 794 . 1 1 119 119 GLU HA H 1 4.03 0.02 . 1 . . 1 A 203 GLU HA . 25251 1 795 . 1 1 119 119 GLU HB2 H 1 2.11 0.02 . 2 . . 1 A 203 GLU HB2 . 25251 1 796 . 1 1 119 119 GLU HB3 H 1 2.06 0.02 . 2 . . 1 A 203 GLU HB3 . 25251 1 797 . 1 1 119 119 GLU HG2 H 1 2.31 0.02 . 2 . . 1 A 203 GLU HG2 . 25251 1 798 . 1 1 119 119 GLU HG3 H 1 2.39 0.02 . 2 . . 1 A 203 GLU HG3 . 25251 1 799 . 1 1 119 119 GLU CA C 13 60.00 0.25 . 1 . . 1 A 203 GLU CA . 25251 1 800 . 1 1 119 119 GLU N N 15 119.81 0.15 . 1 . . 1 A 203 GLU N . 25251 1 801 . 1 1 120 120 THR H H 1 7.94 0.02 . 1 . . 1 A 204 THR H . 25251 1 802 . 1 1 120 120 THR HA H 1 3.78 0.02 . 1 . . 1 A 204 THR HA . 25251 1 803 . 1 1 120 120 THR HB H 1 3.70 0.02 . 1 . . 1 A 204 THR HB . 25251 1 804 . 1 1 120 120 THR HG21 H 1 0.64 0.02 . 1 . . 1 A 204 THR HG21 . 25251 1 805 . 1 1 120 120 THR HG22 H 1 0.64 0.02 . 1 . . 1 A 204 THR HG22 . 25251 1 806 . 1 1 120 120 THR HG23 H 1 0.64 0.02 . 1 . . 1 A 204 THR HG23 . 25251 1 807 . 1 1 120 120 THR CA C 13 66.76 0.25 . 1 . . 1 A 204 THR CA . 25251 1 808 . 1 1 120 120 THR N N 15 116.25 0.15 . 1 . . 1 A 204 THR N . 25251 1 809 . 1 1 121 121 ASP H H 1 7.53 0.02 . 1 . . 1 A 205 ASP H . 25251 1 810 . 1 1 121 121 ASP HA H 1 4.53 0.02 . 1 . . 1 A 205 ASP HA . 25251 1 811 . 1 1 121 121 ASP HB2 H 1 2.62 0.02 . 2 . . 1 A 205 ASP HB2 . 25251 1 812 . 1 1 121 121 ASP HB3 H 1 3.41 0.02 . 2 . . 1 A 205 ASP HB3 . 25251 1 813 . 1 1 121 121 ASP CA C 13 58.19 0.25 . 1 . . 1 A 205 ASP CA . 25251 1 814 . 1 1 121 121 ASP N N 15 119.35 0.15 . 1 . . 1 A 205 ASP N . 25251 1 815 . 1 1 122 122 ILE H H 1 8.09 0.02 . 1 . . 1 A 206 ILE H . 25251 1 816 . 1 1 122 122 ILE HA H 1 3.44 0.02 . 1 . . 1 A 206 ILE HA . 25251 1 817 . 1 1 122 122 ILE HB H 1 1.94 0.02 . 1 . . 1 A 206 ILE HB . 25251 1 818 . 1 1 122 122 ILE HG12 H 1 1.56 0.02 . 2 . . 1 A 206 ILE HG12 . 25251 1 819 . 1 1 122 122 ILE HG13 H 1 1.25 0.02 . 2 . . 1 A 206 ILE HG13 . 25251 1 820 . 1 1 122 122 ILE HG21 H 1 0.83 0.02 . 1 . . 1 A 206 ILE HG21 . 25251 1 821 . 1 1 122 122 ILE HG22 H 1 0.83 0.02 . 1 . . 1 A 206 ILE HG22 . 25251 1 822 . 1 1 122 122 ILE HG23 H 1 0.83 0.02 . 1 . . 1 A 206 ILE HG23 . 25251 1 823 . 1 1 122 122 ILE HD11 H 1 0.72 0.02 . 1 . . 1 A 206 ILE HD11 . 25251 1 824 . 1 1 122 122 ILE HD12 H 1 0.72 0.02 . 1 . . 1 A 206 ILE HD12 . 25251 1 825 . 1 1 122 122 ILE HD13 H 1 0.72 0.02 . 1 . . 1 A 206 ILE HD13 . 25251 1 826 . 1 1 122 122 ILE CA C 13 64.70 0.25 . 1 . . 1 A 206 ILE CA . 25251 1 827 . 1 1 122 122 ILE N N 15 118.97 0.15 . 1 . . 1 A 206 ILE N . 25251 1 828 . 1 1 123 123 LYS H H 1 7.73 0.02 . 1 . . 1 A 207 LYS H . 25251 1 829 . 1 1 123 123 LYS HA H 1 4.04 0.02 . 1 . . 1 A 207 LYS HA . 25251 1 830 . 1 1 123 123 LYS HB2 H 1 1.84 0.02 . 2 . . 1 A 207 LYS HB2 . 25251 1 831 . 1 1 123 123 LYS HB3 H 1 1.93 0.02 . 2 . . 1 A 207 LYS HB3 . 25251 1 832 . 1 1 123 123 LYS HG2 H 1 1.57 0.02 . 2 . . 1 A 207 LYS HG2 . 25251 1 833 . 1 1 123 123 LYS HG3 H 1 1.40 0.02 . 2 . . 1 A 207 LYS HG3 . 25251 1 834 . 1 1 123 123 LYS HD2 H 1 1.65 0.02 . 1 . . 1 A 207 LYS HD2 . 25251 1 835 . 1 1 123 123 LYS CA C 13 59.27 0.25 . 1 . . 1 A 207 LYS CA . 25251 1 836 . 1 1 123 123 LYS N N 15 119.45 0.15 . 1 . . 1 A 207 LYS N . 25251 1 837 . 1 1 124 124 ILE H H 1 7.95 0.02 . 1 . . 1 A 208 ILE H . 25251 1 838 . 1 1 124 124 ILE HA H 1 3.59 0.02 . 1 . . 1 A 208 ILE HA . 25251 1 839 . 1 1 124 124 ILE HB H 1 1.90 0.02 . 1 . . 1 A 208 ILE HB . 25251 1 840 . 1 1 124 124 ILE HG13 H 1 1.57 0.02 . 1 . . 1 A 208 ILE HG13 . 25251 1 841 . 1 1 124 124 ILE HG21 H 1 0.73 0.02 . 1 . . 1 A 208 ILE HG21 . 25251 1 842 . 1 1 124 124 ILE HG22 H 1 0.73 0.02 . 1 . . 1 A 208 ILE HG22 . 25251 1 843 . 1 1 124 124 ILE HG23 H 1 0.73 0.02 . 1 . . 1 A 208 ILE HG23 . 25251 1 844 . 1 1 124 124 ILE HD11 H 1 0.66 0.02 . 1 . . 1 A 208 ILE HD11 . 25251 1 845 . 1 1 124 124 ILE HD12 H 1 0.66 0.02 . 1 . . 1 A 208 ILE HD12 . 25251 1 846 . 1 1 124 124 ILE HD13 H 1 0.66 0.02 . 1 . . 1 A 208 ILE HD13 . 25251 1 847 . 1 1 124 124 ILE CA C 13 65.15 0.25 . 1 . . 1 A 208 ILE CA . 25251 1 848 . 1 1 124 124 ILE N N 15 119.71 0.15 . 1 . . 1 A 208 ILE N . 25251 1 849 . 1 1 125 125 MET H H 1 8.86 0.02 . 1 . . 1 A 209 MET H . 25251 1 850 . 1 1 125 125 MET HA H 1 3.45 0.02 . 1 . . 1 A 209 MET HA . 25251 1 851 . 1 1 125 125 MET HB2 H 1 1.89 0.02 . 2 . . 1 A 209 MET HB2 . 25251 1 852 . 1 1 125 125 MET HB3 H 1 1.88 0.02 . 2 . . 1 A 209 MET HB3 . 25251 1 853 . 1 1 125 125 MET HG2 H 1 2.03 0.02 . 1 . . 1 A 209 MET HG2 . 25251 1 854 . 1 1 125 125 MET HG3 H 1 2.03 0.02 . 1 . . 1 A 209 MET HG3 . 25251 1 855 . 1 1 125 125 MET CA C 13 60.01 0.25 . 1 . . 1 A 209 MET CA . 25251 1 856 . 1 1 125 125 MET N N 15 119.25 0.15 . 1 . . 1 A 209 MET N . 25251 1 857 . 1 1 126 126 GLU H H 1 8.53 0.02 . 1 . . 1 A 210 GLU H . 25251 1 858 . 1 1 126 126 GLU HA H 1 3.61 0.02 . 1 . . 1 A 210 GLU HA . 25251 1 859 . 1 1 126 126 GLU HB2 H 1 2.17 0.02 . 2 . . 1 A 210 GLU HB2 . 25251 1 860 . 1 1 126 126 GLU HB3 H 1 1.98 0.02 . 2 . . 1 A 210 GLU HB3 . 25251 1 861 . 1 1 126 126 GLU HG2 H 1 2.56 0.02 . 2 . . 1 A 210 GLU HG2 . 25251 1 862 . 1 1 126 126 GLU HG3 H 1 2.17 0.02 . 2 . . 1 A 210 GLU HG3 . 25251 1 863 . 1 1 126 126 GLU CA C 13 60.73 0.25 . 1 . . 1 A 210 GLU CA . 25251 1 864 . 1 1 126 126 GLU N N 15 117.31 0.15 . 1 . . 1 A 210 GLU N . 25251 1 865 . 1 1 127 127 ARG H H 1 7.19 0.02 . 1 . . 1 A 211 ARG H . 25251 1 866 . 1 1 127 127 ARG HA H 1 4.15 0.02 . 1 . . 1 A 211 ARG HA . 25251 1 867 . 1 1 127 127 ARG HB2 H 1 2.04 0.02 . 2 . . 1 A 211 ARG HB2 . 25251 1 868 . 1 1 127 127 ARG HB3 H 1 1.91 0.02 . 2 . . 1 A 211 ARG HB3 . 25251 1 869 . 1 1 127 127 ARG HG2 H 1 1.80 0.02 . 2 . . 1 A 211 ARG HG2 . 25251 1 870 . 1 1 127 127 ARG HG3 H 1 1.67 0.02 . 2 . . 1 A 211 ARG HG3 . 25251 1 871 . 1 1 127 127 ARG CA C 13 58.55 0.25 . 1 . . 1 A 211 ARG CA . 25251 1 872 . 1 1 127 127 ARG N N 15 117.84 0.15 . 1 . . 1 A 211 ARG N . 25251 1 873 . 1 1 128 128 VAL H H 1 8.29 0.02 . 1 . . 1 A 212 VAL H . 25251 1 874 . 1 1 128 128 VAL HA H 1 3.47 0.02 . 1 . . 1 A 212 VAL HA . 25251 1 875 . 1 1 128 128 VAL HB H 1 2.06 0.02 . 1 . . 1 A 212 VAL HB . 25251 1 876 . 1 1 128 128 VAL HG11 H 1 1.00 0.02 . 2 . . 1 A 212 VAL HG11 . 25251 1 877 . 1 1 128 128 VAL HG12 H 1 1.00 0.02 . 2 . . 1 A 212 VAL HG12 . 25251 1 878 . 1 1 128 128 VAL HG13 H 1 1.00 0.02 . 2 . . 1 A 212 VAL HG13 . 25251 1 879 . 1 1 128 128 VAL HG21 H 1 1.07 0.02 . 2 . . 1 A 212 VAL HG21 . 25251 1 880 . 1 1 128 128 VAL HG22 H 1 1.07 0.02 . 2 . . 1 A 212 VAL HG22 . 25251 1 881 . 1 1 128 128 VAL HG23 H 1 1.07 0.02 . 2 . . 1 A 212 VAL HG23 . 25251 1 882 . 1 1 128 128 VAL CA C 13 66.32 0.25 . 1 . . 1 A 212 VAL CA . 25251 1 883 . 1 1 128 128 VAL N N 15 120.27 0.15 . 1 . . 1 A 212 VAL N . 25251 1 884 . 1 1 129 129 VAL H H 1 9.09 0.02 . 1 . . 1 A 213 VAL H . 25251 1 885 . 1 1 129 129 VAL HA H 1 3.62 0.02 . 1 . . 1 A 213 VAL HA . 25251 1 886 . 1 1 129 129 VAL HB H 1 2.18 0.02 . 1 . . 1 A 213 VAL HB . 25251 1 887 . 1 1 129 129 VAL HG11 H 1 0.92 0.02 . 2 . . 1 A 213 VAL HG11 . 25251 1 888 . 1 1 129 129 VAL HG12 H 1 0.92 0.02 . 2 . . 1 A 213 VAL HG12 . 25251 1 889 . 1 1 129 129 VAL HG13 H 1 0.92 0.02 . 2 . . 1 A 213 VAL HG13 . 25251 1 890 . 1 1 129 129 VAL HG21 H 1 1.20 0.02 . 2 . . 1 A 213 VAL HG21 . 25251 1 891 . 1 1 129 129 VAL HG22 H 1 1.20 0.02 . 2 . . 1 A 213 VAL HG22 . 25251 1 892 . 1 1 129 129 VAL HG23 H 1 1.20 0.02 . 2 . . 1 A 213 VAL HG23 . 25251 1 893 . 1 1 129 129 VAL CA C 13 66.23 0.25 . 1 . . 1 A 213 VAL CA . 25251 1 894 . 1 1 129 129 VAL N N 15 119.29 0.15 . 1 . . 1 A 213 VAL N . 25251 1 895 . 1 1 130 130 GLU H H 1 8.06 0.02 . 1 . . 1 A 214 GLU H . 25251 1 896 . 1 1 130 130 GLU HA H 1 3.54 0.02 . 1 . . 1 A 214 GLU HA . 25251 1 897 . 1 1 130 130 GLU HB2 H 1 2.19 0.02 . 2 . . 1 A 214 GLU HB2 . 25251 1 898 . 1 1 130 130 GLU HB3 H 1 2.13 0.02 . 2 . . 1 A 214 GLU HB3 . 25251 1 899 . 1 1 130 130 GLU HG3 H 1 2.06 0.02 . 1 . . 1 A 214 GLU HG3 . 25251 1 900 . 1 1 130 130 GLU CA C 13 61.01 0.25 . 1 . . 1 A 214 GLU CA . 25251 1 901 . 1 1 130 130 GLU N N 15 121.24 0.15 . 1 . . 1 A 214 GLU N . 25251 1 902 . 1 1 131 131 GLN H H 1 7.11 0.02 . 1 . . 1 A 215 GLN H . 25251 1 903 . 1 1 131 131 GLN HA H 1 3.94 0.02 . 1 . . 1 A 215 GLN HA . 25251 1 904 . 1 1 131 131 GLN HB2 H 1 2.19 0.02 . 2 . . 1 A 215 GLN HB2 . 25251 1 905 . 1 1 131 131 GLN HB3 H 1 2.10 0.02 . 2 . . 1 A 215 GLN HB3 . 25251 1 906 . 1 1 131 131 GLN HG2 H 1 2.34 0.02 . 2 . . 1 A 215 GLN HG2 . 25251 1 907 . 1 1 131 131 GLN HG3 H 1 2.44 0.02 . 2 . . 1 A 215 GLN HG3 . 25251 1 908 . 1 1 131 131 GLN HE21 H 1 6.88 0.02 . 1 . . 1 A 215 GLN HE21 . 25251 1 909 . 1 1 131 131 GLN HE22 H 1 7.59 0.02 . 1 . . 1 A 215 GLN HE22 . 25251 1 910 . 1 1 131 131 GLN CA C 13 58.59 0.25 . 1 . . 1 A 215 GLN CA . 25251 1 911 . 1 1 131 131 GLN N N 15 114.67 0.15 . 1 . . 1 A 215 GLN N . 25251 1 912 . 1 1 131 131 GLN NE2 N 15 114.01 0.15 . 1 . . 1 A 215 GLN NE2 . 25251 1 913 . 1 1 132 132 MET H H 1 7.93 0.02 . 1 . . 1 A 216 MET H . 25251 1 914 . 1 1 132 132 MET HA H 1 4.12 0.02 . 1 . . 1 A 216 MET HA . 25251 1 915 . 1 1 132 132 MET HB2 H 1 2.12 0.02 . 2 . . 1 A 216 MET HB2 . 25251 1 916 . 1 1 132 132 MET HB3 H 1 2.19 0.02 . 2 . . 1 A 216 MET HB3 . 25251 1 917 . 1 1 132 132 MET HG2 H 1 2.44 0.02 . 2 . . 1 A 216 MET HG2 . 25251 1 918 . 1 1 132 132 MET HG3 H 1 2.72 0.02 . 2 . . 1 A 216 MET HG3 . 25251 1 919 . 1 1 132 132 MET CA C 13 59.80 0.25 . 1 . . 1 A 216 MET CA . 25251 1 920 . 1 1 132 132 MET N N 15 119.42 0.15 . 1 . . 1 A 216 MET N . 25251 1 921 . 1 1 133 133 CYS H H 1 9.29 0.02 . 1 . . 1 A 217 CYS H . 25251 1 922 . 1 1 133 133 CYS HA H 1 4.36 0.02 . 1 . . 1 A 217 CYS HA . 25251 1 923 . 1 1 133 133 CYS HB2 H 1 3.53 0.02 . 2 . . 1 A 217 CYS HB2 . 25251 1 924 . 1 1 133 133 CYS HB3 H 1 2.84 0.02 . 2 . . 1 A 217 CYS HB3 . 25251 1 925 . 1 1 133 133 CYS CA C 13 59.83 0.25 . 1 . . 1 A 217 CYS CA . 25251 1 926 . 1 1 133 133 CYS N N 15 119.18 0.15 . 1 . . 1 A 217 CYS N . 25251 1 927 . 1 1 134 134 ILE H H 1 8.29 0.02 . 1 . . 1 A 218 ILE H . 25251 1 928 . 1 1 134 134 ILE HA H 1 3.48 0.02 . 1 . . 1 A 218 ILE HA . 25251 1 929 . 1 1 134 134 ILE HB H 1 1.97 0.02 . 1 . . 1 A 218 ILE HB . 25251 1 930 . 1 1 134 134 ILE HG21 H 1 0.84 0.02 . 1 . . 1 A 218 ILE HG21 . 25251 1 931 . 1 1 134 134 ILE HG22 H 1 0.84 0.02 . 1 . . 1 A 218 ILE HG22 . 25251 1 932 . 1 1 134 134 ILE HG23 H 1 0.84 0.02 . 1 . . 1 A 218 ILE HG23 . 25251 1 933 . 1 1 134 134 ILE HD11 H 1 0.81 0.02 . 1 . . 1 A 218 ILE HD11 . 25251 1 934 . 1 1 134 134 ILE HD12 H 1 0.81 0.02 . 1 . . 1 A 218 ILE HD12 . 25251 1 935 . 1 1 134 134 ILE HD13 H 1 0.81 0.02 . 1 . . 1 A 218 ILE HD13 . 25251 1 936 . 1 1 134 134 ILE CA C 13 66.76 0.25 . 1 . . 1 A 218 ILE CA . 25251 1 937 . 1 1 134 134 ILE N N 15 123.83 0.15 . 1 . . 1 A 218 ILE N . 25251 1 938 . 1 1 135 135 THR H H 1 8.04 0.02 . 1 . . 1 A 219 THR H . 25251 1 939 . 1 1 135 135 THR HA H 1 3.88 0.02 . 1 . . 1 A 219 THR HA . 25251 1 940 . 1 1 135 135 THR HB H 1 4.31 0.02 . 1 . . 1 A 219 THR HB . 25251 1 941 . 1 1 135 135 THR HG21 H 1 1.20 0.02 . 1 . . 1 A 219 THR HG21 . 25251 1 942 . 1 1 135 135 THR HG22 H 1 1.20 0.02 . 1 . . 1 A 219 THR HG22 . 25251 1 943 . 1 1 135 135 THR HG23 H 1 1.20 0.02 . 1 . . 1 A 219 THR HG23 . 25251 1 944 . 1 1 135 135 THR CA C 13 67.27 0.25 . 1 . . 1 A 219 THR CA . 25251 1 945 . 1 1 135 135 THR N N 15 118.51 0.15 . 1 . . 1 A 219 THR N . 25251 1 946 . 1 1 136 136 GLN H H 1 8.80 0.02 . 1 . . 1 A 220 GLN H . 25251 1 947 . 1 1 136 136 GLN HA H 1 3.62 0.02 . 1 . . 1 A 220 GLN HA . 25251 1 948 . 1 1 136 136 GLN HB2 H 1 2.06 0.02 . 2 . . 1 A 220 GLN HB2 . 25251 1 949 . 1 1 136 136 GLN HB3 H 1 2.28 0.02 . 2 . . 1 A 220 GLN HB3 . 25251 1 950 . 1 1 136 136 GLN HG3 H 1 1.60 0.02 . 1 . . 1 A 220 GLN HG3 . 25251 1 951 . 1 1 136 136 GLN HE21 H 1 7.30 0.02 . 1 . . 1 A 220 GLN HE21 . 25251 1 952 . 1 1 136 136 GLN HE22 H 1 6.74 0.02 . 1 . . 1 A 220 GLN HE22 . 25251 1 953 . 1 1 136 136 GLN CA C 13 58.57 0.25 . 1 . . 1 A 220 GLN CA . 25251 1 954 . 1 1 136 136 GLN N N 15 122.47 0.15 . 1 . . 1 A 220 GLN N . 25251 1 955 . 1 1 136 136 GLN NE2 N 15 115.32 0.15 . 1 . . 1 A 220 GLN NE2 . 25251 1 956 . 1 1 137 137 TYR H H 1 8.58 0.02 . 1 . . 1 A 221 TYR H . 25251 1 957 . 1 1 137 137 TYR HA H 1 2.88 0.02 . 1 . . 1 A 221 TYR HA . 25251 1 958 . 1 1 137 137 TYR HB2 H 1 2.68 0.02 . 2 . . 1 A 221 TYR HB2 . 25251 1 959 . 1 1 137 137 TYR HB3 H 1 2.98 0.02 . 2 . . 1 A 221 TYR HB3 . 25251 1 960 . 1 1 137 137 TYR HD1 H 1 6.14 0.02 . 3 . . 1 A 221 TYR HD1 . 25251 1 961 . 1 1 137 137 TYR HD2 H 1 6.14 0.02 . 3 . . 1 A 221 TYR HD2 . 25251 1 962 . 1 1 137 137 TYR HE1 H 1 6.53 0.02 . 3 . . 1 A 221 TYR HE1 . 25251 1 963 . 1 1 137 137 TYR HE2 H 1 6.53 0.02 . 3 . . 1 A 221 TYR HE2 . 25251 1 964 . 1 1 137 137 TYR CA C 13 62.15 0.25 . 1 . . 1 A 221 TYR CA . 25251 1 965 . 1 1 137 137 TYR N N 15 120.71 0.15 . 1 . . 1 A 221 TYR N . 25251 1 966 . 1 1 138 138 GLN H H 1 8.19 0.02 . 1 . . 1 A 222 GLN H . 25251 1 967 . 1 1 138 138 GLN HA H 1 3.70 0.02 . 1 . . 1 A 222 GLN HA . 25251 1 968 . 1 1 138 138 GLN HB2 H 1 2.03 0.02 . 2 . . 1 A 222 GLN HB2 . 25251 1 969 . 1 1 138 138 GLN HB3 H 1 2.32 0.02 . 2 . . 1 A 222 GLN HB3 . 25251 1 970 . 1 1 138 138 GLN HG2 H 1 2.44 0.02 . 2 . . 1 A 222 GLN HG2 . 25251 1 971 . 1 1 138 138 GLN HG3 H 1 2.68 0.02 . 2 . . 1 A 222 GLN HG3 . 25251 1 972 . 1 1 138 138 GLN HE21 H 1 7.38 0.02 . 1 . . 1 A 222 GLN HE21 . 25251 1 973 . 1 1 138 138 GLN HE22 H 1 6.80 0.02 . 1 . . 1 A 222 GLN HE22 . 25251 1 974 . 1 1 138 138 GLN CA C 13 59.08 0.25 . 1 . . 1 A 222 GLN CA . 25251 1 975 . 1 1 138 138 GLN N N 15 119.94 0.15 . 1 . . 1 A 222 GLN N . 25251 1 976 . 1 1 138 138 GLN NE2 N 15 110.74 0.15 . 1 . . 1 A 222 GLN NE2 . 25251 1 977 . 1 1 139 139 ARG H H 1 8.04 0.02 . 1 . . 1 A 223 ARG H . 25251 1 978 . 1 1 139 139 ARG HA H 1 3.95 0.02 . 1 . . 1 A 223 ARG HA . 25251 1 979 . 1 1 139 139 ARG HB2 H 1 1.82 0.02 . 1 . . 1 A 223 ARG HB2 . 25251 1 980 . 1 1 139 139 ARG HG3 H 1 1.59 0.02 . 1 . . 1 A 223 ARG HG3 . 25251 1 981 . 1 1 139 139 ARG CA C 13 59.29 0.25 . 1 . . 1 A 223 ARG CA . 25251 1 982 . 1 1 139 139 ARG N N 15 119.01 0.15 . 1 . . 1 A 223 ARG N . 25251 1 983 . 1 1 140 140 GLU H H 1 8.30 0.02 . 1 . . 1 A 224 GLU H . 25251 1 984 . 1 1 140 140 GLU HA H 1 4.00 0.02 . 1 . . 1 A 224 GLU HA . 25251 1 985 . 1 1 140 140 GLU HB2 H 1 1.58 0.02 . 2 . . 1 A 224 GLU HB2 . 25251 1 986 . 1 1 140 140 GLU HB3 H 1 2.13 0.02 . 2 . . 1 A 224 GLU HB3 . 25251 1 987 . 1 1 140 140 GLU HG2 H 1 2.35 0.02 . 2 . . 1 A 224 GLU HG2 . 25251 1 988 . 1 1 140 140 GLU HG3 H 1 2.13 0.02 . 2 . . 1 A 224 GLU HG3 . 25251 1 989 . 1 1 140 140 GLU CA C 13 57.72 0.25 . 1 . . 1 A 224 GLU CA . 25251 1 990 . 1 1 140 140 GLU N N 15 117.73 0.15 . 1 . . 1 A 224 GLU N . 25251 1 991 . 1 1 141 141 SER H H 1 8.30 0.02 . 1 . . 1 A 225 SER H . 25251 1 992 . 1 1 141 141 SER HA H 1 3.94 0.02 . 1 . . 1 A 225 SER HA . 25251 1 993 . 1 1 141 141 SER HB2 H 1 3.54 0.02 . 2 . . 1 A 225 SER HB2 . 25251 1 994 . 1 1 141 141 SER HB3 H 1 3.33 0.02 . 2 . . 1 A 225 SER HB3 . 25251 1 995 . 1 1 141 141 SER CA C 13 61.08 0.25 . 1 . . 1 A 225 SER CA . 25251 1 996 . 1 1 141 141 SER N N 15 115.01 0.15 . 1 . . 1 A 225 SER N . 25251 1 997 . 1 1 142 142 GLN H H 1 7.61 0.02 . 1 . . 1 A 226 GLN H . 25251 1 998 . 1 1 142 142 GLN HA H 1 4.12 0.02 . 1 . . 1 A 226 GLN HA . 25251 1 999 . 1 1 142 142 GLN HB2 H 1 2.08 0.02 . 1 . . 1 A 226 GLN HB2 . 25251 1 1000 . 1 1 142 142 GLN HB3 H 1 2.08 0.02 . 1 . . 1 A 226 GLN HB3 . 25251 1 1001 . 1 1 142 142 GLN HG2 H 1 2.45 0.02 . 2 . . 1 A 226 GLN HG2 . 25251 1 1002 . 1 1 142 142 GLN HG3 H 1 2.36 0.02 . 2 . . 1 A 226 GLN HG3 . 25251 1 1003 . 1 1 142 142 GLN HE21 H 1 6.79 0.02 . 1 . . 1 A 226 GLN HE21 . 25251 1 1004 . 1 1 142 142 GLN HE22 H 1 7.56 0.02 . 1 . . 1 A 226 GLN HE22 . 25251 1 1005 . 1 1 142 142 GLN CA C 13 57.90 0.25 . 1 . . 1 A 226 GLN CA . 25251 1 1006 . 1 1 142 142 GLN N N 15 120.36 0.15 . 1 . . 1 A 226 GLN N . 25251 1 1007 . 1 1 142 142 GLN NE2 N 15 112.67 0.15 . 1 . . 1 A 226 GLN NE2 . 25251 1 1008 . 1 1 143 143 ALA H H 1 7.59 0.02 . 1 . . 1 A 227 ALA H . 25251 1 1009 . 1 1 143 143 ALA HA H 1 4.14 0.02 . 1 . . 1 A 227 ALA HA . 25251 1 1010 . 1 1 143 143 ALA HB1 H 1 1.37 0.02 . 1 . . 1 A 227 ALA HB1 . 25251 1 1011 . 1 1 143 143 ALA HB2 H 1 1.37 0.02 . 1 . . 1 A 227 ALA HB2 . 25251 1 1012 . 1 1 143 143 ALA HB3 H 1 1.37 0.02 . 1 . . 1 A 227 ALA HB3 . 25251 1 1013 . 1 1 143 143 ALA CA C 13 53.87 0.25 . 1 . . 1 A 227 ALA CA . 25251 1 1014 . 1 1 143 143 ALA N N 15 120.99 0.15 . 1 . . 1 A 227 ALA N . 25251 1 1015 . 1 1 144 144 TYR H H 1 7.91 0.02 . 1 . . 1 A 228 TYR H . 25251 1 1016 . 1 1 144 144 TYR HA H 1 4.21 0.02 . 1 . . 1 A 228 TYR HA . 25251 1 1017 . 1 1 144 144 TYR HB2 H 1 2.80 0.02 . 2 . . 1 A 228 TYR HB2 . 25251 1 1018 . 1 1 144 144 TYR HB3 H 1 2.93 0.02 . 2 . . 1 A 228 TYR HB3 . 25251 1 1019 . 1 1 144 144 TYR HD1 H 1 6.73 0.02 . 3 . . 1 A 228 TYR HD1 . 25251 1 1020 . 1 1 144 144 TYR HD2 H 1 6.73 0.02 . 3 . . 1 A 228 TYR HD2 . 25251 1 1021 . 1 1 144 144 TYR HE1 H 1 6.69 0.02 . 3 . . 1 A 228 TYR HE1 . 25251 1 1022 . 1 1 144 144 TYR HE2 H 1 6.69 0.02 . 3 . . 1 A 228 TYR HE2 . 25251 1 1023 . 1 1 144 144 TYR CA C 13 59.88 0.25 . 1 . . 1 A 228 TYR CA . 25251 1 1024 . 1 1 144 144 TYR N N 15 118.64 0.15 . 1 . . 1 A 228 TYR N . 25251 1 1025 . 1 1 145 145 TYR H H 1 7.86 0.02 . 1 . . 1 A 229 TYR H . 25251 1 1026 . 1 1 145 145 TYR HA H 1 4.34 0.02 . 1 . . 1 A 229 TYR HA . 25251 1 1027 . 1 1 145 145 TYR HB2 H 1 3.11 0.02 . 2 . . 1 A 229 TYR HB2 . 25251 1 1028 . 1 1 145 145 TYR HB3 H 1 2.93 0.02 . 2 . . 1 A 229 TYR HB3 . 25251 1 1029 . 1 1 145 145 TYR HD1 H 1 7.17 0.02 . 3 . . 1 A 229 TYR HD1 . 25251 1 1030 . 1 1 145 145 TYR HD2 H 1 7.17 0.02 . 3 . . 1 A 229 TYR HD2 . 25251 1 1031 . 1 1 145 145 TYR HE1 H 1 6.83 0.02 . 3 . . 1 A 229 TYR HE1 . 25251 1 1032 . 1 1 145 145 TYR HE2 H 1 6.83 0.02 . 3 . . 1 A 229 TYR HE2 . 25251 1 1033 . 1 1 145 145 TYR CA C 13 59.08 0.25 . 1 . . 1 A 229 TYR CA . 25251 1 1034 . 1 1 145 145 TYR N N 15 118.59 0.15 . 1 . . 1 A 229 TYR N . 25251 1 1035 . 1 1 146 146 GLN H H 1 7.91 0.02 . 1 . . 1 A 230 GLN H . 25251 1 1036 . 1 1 146 146 GLN HA H 1 4.21 0.02 . 1 . . 1 A 230 GLN HA . 25251 1 1037 . 1 1 146 146 GLN HB2 H 1 2.02 0.02 . 2 . . 1 A 230 GLN HB2 . 25251 1 1038 . 1 1 146 146 GLN HB3 H 1 2.10 0.02 . 2 . . 1 A 230 GLN HB3 . 25251 1 1039 . 1 1 146 146 GLN HG2 H 1 2.34 0.02 . 2 . . 1 A 230 GLN HG2 . 25251 1 1040 . 1 1 146 146 GLN HG3 H 1 2.34 0.02 . 2 . . 1 A 230 GLN HG3 . 25251 1 1041 . 1 1 146 146 GLN HE21 H 1 6.81 0.02 . 1 . . 1 A 230 GLN HE21 . 25251 1 1042 . 1 1 146 146 GLN HE22 H 1 7.46 0.02 . 1 . . 1 A 230 GLN HE22 . 25251 1 1043 . 1 1 146 146 GLN CA C 13 56.23 0.25 . 1 . . 1 A 230 GLN CA . 25251 1 1044 . 1 1 146 146 GLN N N 15 119.83 0.15 . 1 . . 1 A 230 GLN N . 25251 1 1045 . 1 1 146 146 GLN NE2 N 15 111.92 0.15 . 1 . . 1 A 230 GLN NE2 . 25251 1 1046 . 1 1 147 147 ARG H H 1 7.97 0.02 . 1 . . 1 A 231 ARG H . 25251 1 1047 . 1 1 147 147 ARG HA H 1 4.22 0.02 . 1 . . 1 A 231 ARG HA . 25251 1 1048 . 1 1 147 147 ARG HB2 H 1 1.84 0.02 . 2 . . 1 A 231 ARG HB2 . 25251 1 1049 . 1 1 147 147 ARG HB3 H 1 1.78 0.02 . 2 . . 1 A 231 ARG HB3 . 25251 1 1050 . 1 1 147 147 ARG HG2 H 1 1.64 0.02 . 1 . . 1 A 231 ARG HG2 . 25251 1 1051 . 1 1 147 147 ARG HG3 H 1 1.64 0.02 . 1 . . 1 A 231 ARG HG3 . 25251 1 1052 . 1 1 147 147 ARG CA C 13 56.72 0.25 . 1 . . 1 A 231 ARG CA . 25251 1 1053 . 1 1 147 147 ARG N N 15 120.87 0.15 . 1 . . 1 A 231 ARG N . 25251 1 1054 . 1 1 148 148 GLY HA2 H 1 3.92 0.02 . 1 . . 1 A 232 GLY HA2 . 25251 1 1055 . 1 1 148 148 GLY HA3 H 1 3.92 0.02 . 1 . . 1 A 232 GLY HA3 . 25251 1 1056 . 1 1 148 148 GLY CA C 13 45.09 0.25 . 1 . . 1 A 232 GLY CA . 25251 1 1057 . 1 1 148 148 GLY N N 15 109.49 0.15 . 1 . . 1 A 232 GLY N . 25251 1 1058 . 1 1 149 149 ALA H H 1 8.07 0.02 . 1 . . 1 A 233 ALA H . 25251 1 1059 . 1 1 149 149 ALA HA H 1 4.34 0.02 . 1 . . 1 A 233 ALA HA . 25251 1 1060 . 1 1 149 149 ALA HB1 H 1 1.37 0.02 . 1 . . 1 A 233 ALA HB1 . 25251 1 1061 . 1 1 149 149 ALA HB2 H 1 1.37 0.02 . 1 . . 1 A 233 ALA HB2 . 25251 1 1062 . 1 1 149 149 ALA HB3 H 1 1.37 0.02 . 1 . . 1 A 233 ALA HB3 . 25251 1 1063 . 1 1 149 149 ALA CA C 13 52.33 0.25 . 1 . . 1 A 233 ALA CA . 25251 1 1064 . 1 1 149 149 ALA N N 15 124.10 0.15 . 1 . . 1 A 233 ALA N . 25251 1 1065 . 1 1 150 150 SER H H 1 7.91 0.02 . 1 . . 1 A 234 SER H . 25251 1 1066 . 1 1 150 150 SER HA H 1 4.25 0.02 . 1 . . 1 A 234 SER HA . 25251 1 1067 . 1 1 150 150 SER HB2 H 1 3.83 0.02 . 1 . . 1 A 234 SER HB2 . 25251 1 1068 . 1 1 150 150 SER HB3 H 1 3.83 0.02 . 1 . . 1 A 234 SER HB3 . 25251 1 1069 . 1 1 150 150 SER CA C 13 59.89 0.25 . 1 . . 1 A 234 SER CA . 25251 1 1070 . 1 1 150 150 SER N N 15 120.59 0.15 . 1 . . 1 A 234 SER N . 25251 1 stop_ save_