data_25512 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25512 _Entry.Title ; NMR structure of VirB9 C-terminal domain in complex with VirB7 N-terminal domain from Xanthomonas citri's T4SS. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-03-03 _Entry.Accession_date 2015-03-03 _Entry.Last_release_date 2015-09-10 _Entry.Original_release_date 2015-09-10 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details ; NMR structure of VirB9 C-terminal domain in complex with VirB7 N-terminal domain from Xanthomonas citri's T4SS. ; loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Luciana Oliveira . C. . . 25512 2 Diorge Souza . P. . . 25512 3 Roberto Salinas . K. . . 25512 4 Hans Wienk . . . . 25512 5 Rolf Boelens . . . . 25512 6 Shaker Farah . C. . . 25512 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' . 25512 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID T4SS . 25512 VirB7 . 25512 VirB9 . 25512 lipoprotein . 25512 'protein peptide complex' . 25512 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25512 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 470 25512 '15N chemical shifts' 114 25512 '1H chemical shifts' 860 25512 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2017-11-14 2015-03-03 update author 'update entry citation' 25512 1 . . 2015-09-10 2015-03-03 original author 'original release' 25512 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 17257 'NMR structure of VirB7 from Xanthomonas citri' 25512 PDB 2L4W 'NMR structure of VirB7 from Xanthomonas citri' 25512 PDB 2N01 'BMRB Entry Tracking System' 25512 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25512 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1016/j.str.2016.07.015 _Citation.PubMed_ID 27594685 _Citation.Full_citation . _Citation.Title ; VirB7 and VirB9 Interactions Are Required for the Assembly and Antibacterial Activity of a Type IV Secretion System ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Structure _Citation.Journal_name_full 'Structure (London, England : 1993)' _Citation.Journal_volume 24 _Citation.Journal_issue 10 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1878-4186 _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 1707 _Citation.Page_last 1718 _Citation.Year 2016 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 'Luciana Coutinho' Oliveira L. C. . . 25512 1 2 'Diorge Paulo' Souza D. P. . . 25512 1 3 'Gabriel Umaji' Oka G. U. . . 25512 1 4 'Filipe da Silva' Lima . . . . 25512 1 5 'Ronaldo Junio' Oliveira R. J. . . 25512 1 6 'Denize Cristina' Favaro D. C. . . 25512 1 7 Hans Wienk H. . . . 25512 1 8 Rolf Boelens R. . . . 25512 1 9 'Chuck Shaker' Farah C. S. . . 25512 1 10 'Roberto Kopke' Salinas R. K. . . 25512 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25512 _Assembly.ID 1 _Assembly.Name ; VirB9 C-terminal domain in complex with VirB7 N-terminal domain from Xanthomonas citri's T4SS ; _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 Xac_VirB7NT 1 $Xac_VirB7NT A . yes native no no . . . 25512 1 2 Xac_VirB9CT 2 $Xac_VirB9CT B . yes native no no . . . 25512 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Xac_VirB7NT _Entity.Sf_category entity _Entity.Sf_framecode Xac_VirB7NT _Entity.Entry_ID 25512 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Xac_VirB7NT _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 ; XTKPAPDFGGRWKHVNHFDE APTE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Modification: Acetylation (N-Terminal); Amidation (C-Terminal).' _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 24 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment VirB7NT _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 2641.898 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UNP Q8PJB3 . XAC2622 . . . . . . . . . . . . . . 25512 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 23 ACE . 25512 1 2 24 THR . 25512 1 3 25 LYS . 25512 1 4 26 PRO . 25512 1 5 27 ALA . 25512 1 6 28 PRO . 25512 1 7 29 ASP . 25512 1 8 30 PHE . 25512 1 9 31 GLY . 25512 1 10 32 GLY . 25512 1 11 33 ARG . 25512 1 12 34 TRP . 25512 1 13 35 LYS . 25512 1 14 36 HIS . 25512 1 15 37 VAL . 25512 1 16 38 ASN . 25512 1 17 39 HIS . 25512 1 18 40 PHE . 25512 1 19 41 ASP . 25512 1 20 42 GLU . 25512 1 21 43 ALA . 25512 1 22 44 PRO . 25512 1 23 45 THR . 25512 1 24 46 GLU . 25512 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 . ACE 1 1 25512 1 . THR 2 2 25512 1 . LYS 3 3 25512 1 . PRO 4 4 25512 1 . ALA 5 5 25512 1 . PRO 6 6 25512 1 . ASP 7 7 25512 1 . PHE 8 8 25512 1 . GLY 9 9 25512 1 . GLY 10 10 25512 1 . ARG 11 11 25512 1 . TRP 12 12 25512 1 . LYS 13 13 25512 1 . HIS 14 14 25512 1 . VAL 15 15 25512 1 . ASN 16 16 25512 1 . HIS 17 17 25512 1 . PHE 18 18 25512 1 . ASP 19 19 25512 1 . GLU 20 20 25512 1 . ALA 21 21 25512 1 . PRO 22 22 25512 1 . THR 23 23 25512 1 . GLU 24 24 25512 1 stop_ save_ save_Xac_VirB9CT _Entity.Sf_category entity _Entity.Sf_framecode Xac_VirB9CT _Entity.Entry_ID 25512 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name Xac_VirB9CT _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSHMNAKILKDRRYYYDYDY ATRTKKSWLIPSRVYDDGKF TYINMDLTRFPTGNFPAVFA REKEHAEDFLVNTTVEGNTL IVHGTYPFLVVRHGDNVVGL RRNKQKX ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'The first four residues (GSHM) belong to the vector encoded sequence.' _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 107 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment VirB9CT _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12471.240 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UNP Q8PJB5 . virB9 . . . . . . . . . . . . . . 25512 2 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 1 151 GLY . 25512 2 2 152 SER . 25512 2 3 153 HIS . 25512 2 4 154 MET . 25512 2 5 155 ASN . 25512 2 6 156 ALA . 25512 2 7 157 LYS . 25512 2 8 158 ILE . 25512 2 9 159 LEU . 25512 2 10 160 LYS . 25512 2 11 161 ASP . 25512 2 12 162 ARG . 25512 2 13 163 ARG . 25512 2 14 164 TYR . 25512 2 15 165 TYR . 25512 2 16 166 TYR . 25512 2 17 167 ASP . 25512 2 18 168 TYR . 25512 2 19 169 ASP . 25512 2 20 170 TYR . 25512 2 21 171 ALA . 25512 2 22 172 THR . 25512 2 23 173 ARG . 25512 2 24 174 THR . 25512 2 25 175 LYS . 25512 2 26 176 LYS . 25512 2 27 177 SER . 25512 2 28 178 TRP . 25512 2 29 179 LEU . 25512 2 30 180 ILE . 25512 2 31 181 PRO . 25512 2 32 182 SER . 25512 2 33 183 ARG . 25512 2 34 184 VAL . 25512 2 35 185 TYR . 25512 2 36 186 ASP . 25512 2 37 187 ASP . 25512 2 38 188 GLY . 25512 2 39 189 LYS . 25512 2 40 190 PHE . 25512 2 41 191 THR . 25512 2 42 192 TYR . 25512 2 43 193 ILE . 25512 2 44 194 ASN . 25512 2 45 195 MET . 25512 2 46 196 ASP . 25512 2 47 197 LEU . 25512 2 48 198 THR . 25512 2 49 199 ARG . 25512 2 50 200 PHE . 25512 2 51 201 PRO . 25512 2 52 202 THR . 25512 2 53 203 GLY . 25512 2 54 204 ASN . 25512 2 55 205 PHE . 25512 2 56 206 PRO . 25512 2 57 207 ALA . 25512 2 58 208 VAL . 25512 2 59 209 PHE . 25512 2 60 210 ALA . 25512 2 61 211 ARG . 25512 2 62 212 GLU . 25512 2 63 213 LYS . 25512 2 64 214 GLU . 25512 2 65 215 HIS . 25512 2 66 216 ALA . 25512 2 67 217 GLU . 25512 2 68 218 ASP . 25512 2 69 219 PHE . 25512 2 70 220 LEU . 25512 2 71 221 VAL . 25512 2 72 222 ASN . 25512 2 73 223 THR . 25512 2 74 224 THR . 25512 2 75 225 VAL . 25512 2 76 226 GLU . 25512 2 77 227 GLY . 25512 2 78 228 ASN . 25512 2 79 229 THR . 25512 2 80 230 LEU . 25512 2 81 231 ILE . 25512 2 82 232 VAL . 25512 2 83 233 HIS . 25512 2 84 234 GLY . 25512 2 85 235 THR . 25512 2 86 236 TYR . 25512 2 87 237 PRO . 25512 2 88 238 PHE . 25512 2 89 239 LEU . 25512 2 90 240 VAL . 25512 2 91 241 VAL . 25512 2 92 242 ARG . 25512 2 93 243 HIS . 25512 2 94 244 GLY . 25512 2 95 245 ASP . 25512 2 96 246 ASN . 25512 2 97 247 VAL . 25512 2 98 248 VAL . 25512 2 99 249 GLY . 25512 2 100 250 LEU . 25512 2 101 251 ARG . 25512 2 102 252 ARG . 25512 2 103 253 ASN . 25512 2 104 254 LYS . 25512 2 105 255 GLN . 25512 2 106 256 LYS . 25512 2 107 257 NH2 . 25512 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 25512 2 . SER 2 2 25512 2 . HIS 3 3 25512 2 . MET 4 4 25512 2 . ASN 5 5 25512 2 . ALA 6 6 25512 2 . LYS 7 7 25512 2 . ILE 8 8 25512 2 . LEU 9 9 25512 2 . LYS 10 10 25512 2 . ASP 11 11 25512 2 . ARG 12 12 25512 2 . ARG 13 13 25512 2 . TYR 14 14 25512 2 . TYR 15 15 25512 2 . TYR 16 16 25512 2 . ASP 17 17 25512 2 . TYR 18 18 25512 2 . ASP 19 19 25512 2 . TYR 20 20 25512 2 . ALA 21 21 25512 2 . THR 22 22 25512 2 . ARG 23 23 25512 2 . THR 24 24 25512 2 . LYS 25 25 25512 2 . LYS 26 26 25512 2 . SER 27 27 25512 2 . TRP 28 28 25512 2 . LEU 29 29 25512 2 . ILE 30 30 25512 2 . PRO 31 31 25512 2 . SER 32 32 25512 2 . ARG 33 33 25512 2 . VAL 34 34 25512 2 . TYR 35 35 25512 2 . ASP 36 36 25512 2 . ASP 37 37 25512 2 . GLY 38 38 25512 2 . LYS 39 39 25512 2 . PHE 40 40 25512 2 . THR 41 41 25512 2 . TYR 42 42 25512 2 . ILE 43 43 25512 2 . ASN 44 44 25512 2 . MET 45 45 25512 2 . ASP 46 46 25512 2 . LEU 47 47 25512 2 . THR 48 48 25512 2 . ARG 49 49 25512 2 . PHE 50 50 25512 2 . PRO 51 51 25512 2 . THR 52 52 25512 2 . GLY 53 53 25512 2 . ASN 54 54 25512 2 . PHE 55 55 25512 2 . PRO 56 56 25512 2 . ALA 57 57 25512 2 . VAL 58 58 25512 2 . PHE 59 59 25512 2 . ALA 60 60 25512 2 . ARG 61 61 25512 2 . GLU 62 62 25512 2 . LYS 63 63 25512 2 . GLU 64 64 25512 2 . HIS 65 65 25512 2 . ALA 66 66 25512 2 . GLU 67 67 25512 2 . ASP 68 68 25512 2 . PHE 69 69 25512 2 . LEU 70 70 25512 2 . VAL 71 71 25512 2 . ASN 72 72 25512 2 . THR 73 73 25512 2 . THR 74 74 25512 2 . VAL 75 75 25512 2 . GLU 76 76 25512 2 . GLY 77 77 25512 2 . ASN 78 78 25512 2 . THR 79 79 25512 2 . LEU 80 80 25512 2 . ILE 81 81 25512 2 . VAL 82 82 25512 2 . HIS 83 83 25512 2 . GLY 84 84 25512 2 . THR 85 85 25512 2 . TYR 86 86 25512 2 . PRO 87 87 25512 2 . PHE 88 88 25512 2 . LEU 89 89 25512 2 . VAL 90 90 25512 2 . VAL 91 91 25512 2 . ARG 92 92 25512 2 . HIS 93 93 25512 2 . GLY 94 94 25512 2 . ASP 95 95 25512 2 . ASN 96 96 25512 2 . VAL 97 97 25512 2 . VAL 98 98 25512 2 . GLY 99 99 25512 2 . LEU 100 100 25512 2 . ARG 101 101 25512 2 . ARG 102 102 25512 2 . ASN 103 103 25512 2 . LYS 104 104 25512 2 . GLN 105 105 25512 2 . LYS 106 106 25512 2 . NH2 107 107 25512 2 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 25512 _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 $Xac_VirB7NT . 190486 organism . 'Xanthomonas citri pv. citri' g-proteobacteria . . Bacteria . Xanthomonas citri 306 . . . . . . . . . . virB9 . 25512 1 2 2 $Xac_VirB9CT . 190486 organism . 'Xanthomonas citri pv. citri' g-proteobacteria . . Bacteria . Xanthomonas citri 306 . . . . . . . . . . XAC2622 . 25512 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 25512 _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 $Xac_VirB7NT . 'chemical synthesis' . . . . . . . . . . . . . . . 'Modification: Acetylation (N-Terminal); Amidation (C-Terminal).' 25512 1 2 2 $Xac_VirB9CT . 'recombinant technology' . . . . . . BL21(DE3) RP . . . . . . . . 25512 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ACE _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ACE _Chem_comp.Entry_ID 25512 _Chem_comp.ID ACE _Chem_comp.Provenance PDB _Chem_comp.Name 'ACETYL GROUP' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code ACE _Chem_comp.PDB_code ACE _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces ACU _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ACE _Chem_comp.Number_atoms_all 7 _Chem_comp.Number_atoms_nh 3 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C2H4O/c1-2-3/h2H,1H3 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C2 H4 O' _Chem_comp.Formula_weight 44.053 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site EBI _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID CC=O SMILES CACTVS 3.341 25512 ACE CC=O SMILES 'OpenEye OEToolkits' 1.5.0 25512 ACE CC=O SMILES_CANONICAL CACTVS 3.341 25512 ACE CC=O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 25512 ACE IKHGUXGNUITLKF-UHFFFAOYSA-N InChIKey InChI 1.03 25512 ACE InChI=1S/C2H4O/c1-2-3/h2H,1H3 InChI InChI 1.03 25512 ACE O=CC SMILES ACDLabs 10.04 25512 ACE stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID acetaldehyde 'SYSTEMATIC NAME' ACDLabs 10.04 25512 ACE ethanal 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 25512 ACE stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID C C C C . C . . N 0 . . . 1 no no . . . . 0.772 . -10.072 . 6.578 . -0.133 0.453 0.000 1 . 25512 ACE O O O O . O . . N 0 . . . 1 no no . . . . 1.973 . -10.223 . 6.862 . -1.113 -0.252 0.000 2 . 25512 ACE CH3 CH3 CH3 CH3 . C . . N 0 . . . 1 no no . . . . -0.322 . -10.677 . 7.405 . 1.241 -0.167 0.000 3 . 25512 ACE H H H H . H . . N 0 . . . 1 no no . . . . 0.685 . -9.453 . 5.669 . -0.240 1.528 0.000 4 . 25512 ACE H1 H1 H1 1H . H . . N 0 . . . 1 no no . . . . -1.191 . -10.444 . 7.018 . 1.360 -0.785 0.890 5 . 25512 ACE H2 H2 H2 2H . H . . N 0 . . . 1 no no . . . . -0.269 . -10.331 . 8.320 . 1.360 -0.785 -0.890 6 . 25512 ACE H3 H3 H3 3H . H . . N 0 . . . 1 no no . . . . -0.221 . -11.652 . 7.418 . 1.995 0.620 0.000 7 . 25512 ACE stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . DOUB C O no N 1 . 25512 ACE 2 . SING C CH3 no N 2 . 25512 ACE 3 . SING C H no N 3 . 25512 ACE 4 . SING CH3 H1 no N 4 . 25512 ACE 5 . SING CH3 H2 no N 5 . 25512 ACE 6 . SING CH3 H3 no N 6 . 25512 ACE stop_ save_ save_chem_comp_NH2 _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_NH2 _Chem_comp.Entry_ID 25512 _Chem_comp.ID NH2 _Chem_comp.Provenance PDB _Chem_comp.Name 'AMINO GROUP' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code NH2 _Chem_comp.PDB_code NH2 _Chem_comp.Ambiguous_flag yes _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code NH2 _Chem_comp.Number_atoms_all 3 _Chem_comp.Number_atoms_nh 1 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1/H3N/h1H3 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'H2 N' _Chem_comp.Formula_weight 16.023 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details 'OpenEye OEToolkits' _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 2FLY _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1/H3N/h1H3 InChI InChI 1.02b 25512 NH2 N SMILES ACDLabs 10.04 25512 NH2 QGZKDVFQNNGYKY-UHFFFAOYAF InChIKey InChI 1.02b 25512 NH2 [NH2] SMILES CACTVS 3.341 25512 NH2 [NH2] SMILES 'OpenEye OEToolkits' 1.5.0 25512 NH2 [NH2] SMILES_CANONICAL CACTVS 3.341 25512 NH2 [NH2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 25512 NH2 stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID ammonia 'SYSTEMATIC NAME' ACDLabs 10.04 25512 NH2 l^{2}-azane 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 25512 NH2 stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID N N N N . N . . N 0 . . . 1 no no . . . . 10.091 . 8.978 . -7.810 . 0.000 0.000 0.000 1 . 25512 NH2 HN1 HN1 HN1 1HN . H . . N 0 . . . 1 no no . . . . 9.517 . 8.769 . -7.044 . -0.385 -0.545 -0.771 2 . 25512 NH2 HN2 HN2 HN2 2HN . H . . N 0 . . . 1 no no . . . . 10.323 . 9.890 . -8.082 . 1.020 0.000 0.000 3 . 25512 NH2 stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING N HN1 no N 1 . 25512 NH2 2 . SING N HN2 no N 2 . 25512 NH2 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25512 _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 Xac_VirB9CT '[U-99% 13C; U-99% 15N]' . . 2 $Xac_VirB9CT . . 0.500 . . mM . . . . 25512 1 2 Xac_VirB7NT 'natural abundance' . . 1 $Xac_VirB7NT . . 1 . . mM . . . . 25512 1 3 D2O '[U-99% 2H]' . . . . . . 10 . . % . . . . 25512 1 4 'sodium acetate' '[U-100% 2H]' . . . . . . 20 . . mM . . . . 25512 1 5 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 25512 1 6 'sodium azide' 'natural abundance' . . . . . . 1 . . % . . . . 25512 1 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25512 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 25512 _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' 0.07 . M 25512 1 pH 5 . pH 25512 1 pressure 1 . atm 25512 1 temperature 310 . K 25512 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 25512 _Software.ID 1 _Software.Type . _Software.Name CYANA _Software.Version 3.0 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 25512 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25512 1 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 25512 _Software.ID 2 _Software.Type . _Software.Name CNS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 25512 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 25512 2 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 25512 _Software.ID 3 _Software.Type . _Software.Name TALOS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 25512 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 25512 3 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 25512 _Software.ID 4 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 25512 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25512 4 stop_ save_ save_CcpNmr_Analysis _Software.Sf_category software _Software.Sf_framecode CcpNmr_Analysis _Software.Entry_ID 25512 _Software.ID 5 _Software.Type . _Software.Name CcpNmr_Analysis _Software.Version 2.4.1 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 25512 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 25512 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 25512 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25512 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 25512 _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 III' . 800 . . . 25512 1 2 spectrometer_2 Bruker 'Avance III' . 900 . . . 25512 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 25512 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25512 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25512 1 3 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25512 1 4 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25512 1 5 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25512 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25512 1 7 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25512 1 8 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25512 1 9 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25512 1 10 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25512 1 11 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25512 1 12 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25512 1 13 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25512 1 14 '3D CCH TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25512 1 15 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25512 1 16 '3D 15N, 13C CNH-NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25512 1 17 '2D 13C15N filtered NOE' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25512 1 18 '2D 13C,15N filtered TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25512 1 19 '3D HBCBCGCDHD' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25512 1 20 '3D 15N-edited NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25512 1 21 '3D 13C-edited NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25512 1 22 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25512 1 23 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25512 1 24 '3D HBCBCGCDCEHE' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25512 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_TSP _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode TSP _Chem_shift_reference.Entry_ID 25512 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details 'Referencing using the water signal relative to TSP as implemented in NMRPipe.' loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 internal indirect 0.251449530 . . . . . 25512 1 H 1 TSP 'methyl protons' . . . . ppm 0.00 internal direct 1 . . . . . 25512 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 internal indirect 0.101329118 . . . . . 25512 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 25512 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $TSP _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 25512 1 2 '2D 1H-13C HSQC' . . . 25512 1 3 '2D 1H-13C HSQC aliphatic' . . . 25512 1 4 '2D 1H-13C HSQC aromatic' . . . 25512 1 6 '3D CBCA(CO)NH' . . . 25512 1 7 '3D C(CO)NH' . . . 25512 1 8 '3D HNCO' . . . 25512 1 9 '3D HNCA' . . . 25512 1 10 '3D H(CCO)NH' . . . 25512 1 11 '3D HCCH-TOCSY' . . . 25512 1 14 '3D CCH TOCSY' . . . 25512 1 15 '3D HNCACB' . . . 25512 1 17 '2D 13C15N filtered NOE' . . . 25512 1 18 '2D 13C,15N filtered TOCSY' . . . 25512 1 19 '3D HBCBCGCDHD' . . . 25512 1 22 '3D HN(CO)CA' . . . 25512 1 23 '3D HN(CA)CO' . . . 25512 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 5 $CcpNmr_Analysis . . 25512 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 LYS H H 1 8.300 0.003 . 1 . . . . . 25 LYS H . 25512 1 2 . 1 1 3 3 LYS HA H 1 4.644 0.002 . 1 . . . . . 25 LYS HA . 25512 1 3 . 1 1 3 3 LYS HB2 H 1 1.814 0.003 . 1 . . . . . 25 LYS HB2 . 25512 1 4 . 1 1 3 3 LYS HB3 H 1 1.814 0.003 . 1 . . . . . 25 LYS HB3 . 25512 1 5 . 1 1 3 3 LYS HG2 H 1 1.483 0.003 . 2 . . . . . 25 LYS HG2 . 25512 1 6 . 1 1 3 3 LYS HG3 H 1 1.450 0.004 . 2 . . . . . 25 LYS HG3 . 25512 1 7 . 1 1 3 3 LYS HD2 H 1 1.714 0.003 . 2 . . . . . 25 LYS HD2 . 25512 1 8 . 1 1 3 3 LYS HD3 H 1 1.695 0.004 . 2 . . . . . 25 LYS HD3 . 25512 1 9 . 1 1 3 3 LYS HE2 H 1 3.003 0.003 . 1 . . . . . 25 LYS HE2 . 25512 1 10 . 1 1 3 3 LYS HE3 H 1 3.003 0.003 . 1 . . . . . 25 LYS HE3 . 25512 1 11 . 1 1 4 4 PRO HA H 1 4.367 0.002 . 1 . . . . . 26 PRO HA . 25512 1 12 . 1 1 4 4 PRO HB2 H 1 1.960 0.000 . 2 . . . . . 26 PRO HB2 . 25512 1 13 . 1 1 4 4 PRO HB3 H 1 2.233 0.001 . 2 . . . . . 26 PRO HB3 . 25512 1 14 . 1 1 4 4 PRO HG2 H 1 1.831 0.001 . 2 . . . . . 26 PRO HG2 . 25512 1 15 . 1 1 4 4 PRO HG3 H 1 1.975 0.003 . 2 . . . . . 26 PRO HG3 . 25512 1 16 . 1 1 4 4 PRO HD2 H 1 3.602 0.002 . 2 . . . . . 26 PRO HD2 . 25512 1 17 . 1 1 4 4 PRO HD3 H 1 3.814 0.001 . 2 . . . . . 26 PRO HD3 . 25512 1 18 . 1 1 5 5 ALA H H 1 8.519 0.001 . 1 . . . . . 27 ALA H . 25512 1 19 . 1 1 5 5 ALA HA H 1 4.497 0.006 . 1 . . . . . 27 ALA HA . 25512 1 20 . 1 1 5 5 ALA HB1 H 1 1.224 0.002 . 1 . . . . . 27 ALA QB . 25512 1 21 . 1 1 5 5 ALA HB2 H 1 1.224 0.002 . 1 . . . . . 27 ALA QB . 25512 1 22 . 1 1 5 5 ALA HB3 H 1 1.224 0.002 . 1 . . . . . 27 ALA QB . 25512 1 23 . 1 1 6 6 PRO HA H 1 4.340 0.002 . 1 . . . . . 28 PRO HA . 25512 1 24 . 1 1 6 6 PRO HB2 H 1 2.253 0.003 . 2 . . . . . 28 PRO HB2 . 25512 1 25 . 1 1 6 6 PRO HB3 H 1 1.762 0.002 . 2 . . . . . 28 PRO HB3 . 25512 1 26 . 1 1 6 6 PRO HG2 H 1 1.893 0.002 . 2 . . . . . 28 PRO HG2 . 25512 1 27 . 1 1 6 6 PRO HG3 H 1 1.984 0.002 . 2 . . . . . 28 PRO HG3 . 25512 1 28 . 1 1 6 6 PRO HD2 H 1 3.742 0.002 . 2 . . . . . 28 PRO HD2 . 25512 1 29 . 1 1 6 6 PRO HD3 H 1 3.539 0.002 . 2 . . . . . 28 PRO HD3 . 25512 1 30 . 1 1 7 7 ASP H H 1 8.417 0.001 . 1 . . . . . 29 ASP H . 25512 1 31 . 1 1 7 7 ASP HA H 1 4.803 0.004 . 1 . . . . . 29 ASP HA . 25512 1 32 . 1 1 7 7 ASP HB2 H 1 2.626 0.000 . 2 . . . . . 29 ASP HB2 . 25512 1 33 . 1 1 7 7 ASP HB3 H 1 2.543 0.003 . 2 . . . . . 29 ASP HB3 . 25512 1 34 . 1 1 8 8 PHE H H 1 8.198 0.004 . 1 . . . . . 30 PHE H . 25512 1 35 . 1 1 8 8 PHE HA H 1 4.832 0.011 . 1 . . . . . 30 PHE HA . 25512 1 36 . 1 1 8 8 PHE HB2 H 1 3.186 0.003 . 2 . . . . . 30 PHE HB2 . 25512 1 37 . 1 1 8 8 PHE HB3 H 1 2.834 0.005 . 2 . . . . . 30 PHE HB3 . 25512 1 38 . 1 1 8 8 PHE HD1 H 1 6.917 0.002 . 3 . . . . . 30 PHE QD . 25512 1 39 . 1 1 8 8 PHE HD2 H 1 6.917 0.002 . 3 . . . . . 30 PHE QD . 25512 1 40 . 1 1 9 9 GLY H H 1 7.414 0.004 . 1 . . . . . 31 GLY H . 25512 1 41 . 1 1 9 9 GLY HA2 H 1 3.928 0.006 . 2 . . . . . 31 GLY HA2 . 25512 1 42 . 1 1 9 9 GLY HA3 H 1 3.745 0.005 . 2 . . . . . 31 GLY HA3 . 25512 1 43 . 1 1 10 10 GLY H H 1 7.745 0.002 . 1 . . . . . 32 GLY H . 25512 1 44 . 1 1 10 10 GLY HA2 H 1 4.161 0.004 . 2 . . . . . 32 GLY HA2 . 25512 1 45 . 1 1 10 10 GLY HA3 H 1 3.735 0.004 . 2 . . . . . 32 GLY HA3 . 25512 1 46 . 1 1 11 11 ARG H H 1 8.070 0.002 . 1 . . . . . 33 ARG H . 25512 1 47 . 1 1 11 11 ARG HA H 1 4.337 0.002 . 1 . . . . . 33 ARG HA . 25512 1 48 . 1 1 11 11 ARG HB2 H 1 1.691 0.003 . 2 . . . . . 33 ARG HB2 . 25512 1 49 . 1 1 11 11 ARG HB3 H 1 1.767 0.002 . 2 . . . . . 33 ARG HB3 . 25512 1 50 . 1 1 11 11 ARG HG2 H 1 1.627 0.000 . 2 . . . . . 33 ARG HG2 . 25512 1 51 . 1 1 11 11 ARG HG3 H 1 1.641 0.003 . 2 . . . . . 33 ARG HG3 . 25512 1 52 . 1 1 11 11 ARG HD2 H 1 3.226 0.003 . 1 . . . . . 33 ARG HD2 . 25512 1 53 . 1 1 11 11 ARG HD3 H 1 3.226 0.003 . 1 . . . . . 33 ARG HD3 . 25512 1 54 . 1 1 11 11 ARG HE H 1 7.191 0.001 . 1 . . . . . 33 ARG HE . 25512 1 55 . 1 1 12 12 TRP H H 1 7.979 0.002 . 1 . . . . . 34 TRP H . 25512 1 56 . 1 1 12 12 TRP HA H 1 4.671 0.003 . 1 . . . . . 34 TRP HA . 25512 1 57 . 1 1 12 12 TRP HB2 H 1 3.037 0.000 . 2 . . . . . 34 TRP HB2 . 25512 1 58 . 1 1 12 12 TRP HB3 H 1 3.032 0.003 . 2 . . . . . 34 TRP HB3 . 25512 1 59 . 1 1 12 12 TRP HD1 H 1 7.420 0.002 . 1 . . . . . 34 TRP HD1 . 25512 1 60 . 1 1 12 12 TRP HE1 H 1 10.252 0.002 . 1 . . . . . 34 TRP HE1 . 25512 1 61 . 1 1 12 12 TRP HZ2 H 1 7.626 0.002 . 1 . . . . . 34 TRP HZ2 . 25512 1 62 . 1 1 12 12 TRP HZ3 H 1 7.079 0.004 . 1 . . . . . 34 TRP HZ3 . 25512 1 63 . 1 1 12 12 TRP HH2 H 1 6.780 0.007 . 1 . . . . . 34 TRP HH2 . 25512 1 64 . 1 1 13 13 LYS H H 1 9.155 0.003 . 1 . . . . . 35 LYS H . 25512 1 65 . 1 1 13 13 LYS HA H 1 4.519 0.002 . 1 . . . . . 35 LYS HA . 25512 1 66 . 1 1 13 13 LYS HB2 H 1 1.684 0.004 . 2 . . . . . 35 LYS HB2 . 25512 1 67 . 1 1 13 13 LYS HB3 H 1 1.685 0.003 . 2 . . . . . 35 LYS HB3 . 25512 1 68 . 1 1 13 13 LYS HG2 H 1 0.936 0.004 . 2 . . . . . 35 LYS HG2 . 25512 1 69 . 1 1 13 13 LYS HG3 H 1 0.939 0.002 . 2 . . . . . 35 LYS HG3 . 25512 1 70 . 1 1 13 13 LYS HD2 H 1 1.254 0.001 . 2 . . . . . 35 LYS HD2 . 25512 1 71 . 1 1 13 13 LYS HD3 H 1 1.255 0.001 . 2 . . . . . 35 LYS HD3 . 25512 1 72 . 1 1 13 13 LYS HE2 H 1 2.961 0.003 . 1 . . . . . 35 LYS HE2 . 25512 1 73 . 1 1 13 13 LYS HE3 H 1 2.961 0.003 . 1 . . . . . 35 LYS HE3 . 25512 1 74 . 1 1 14 14 HIS H H 1 8.615 0.001 . 1 . . . . . 36 HIS H . 25512 1 75 . 1 1 14 14 HIS HA H 1 5.718 0.003 . 1 . . . . . 36 HIS HA . 25512 1 76 . 1 1 14 14 HIS HB2 H 1 3.283 0.003 . 2 . . . . . 36 HIS HB2 . 25512 1 77 . 1 1 14 14 HIS HB3 H 1 3.616 0.004 . 2 . . . . . 36 HIS HB3 . 25512 1 78 . 1 1 14 14 HIS HD1 H 1 8.514 0.002 . 1 . . . . . 36 HIS HD1 . 25512 1 79 . 1 1 14 14 HIS HD2 H 1 7.504 0.003 . 1 . . . . . 36 HIS HD2 . 25512 1 80 . 1 1 14 14 HIS HE1 H 1 8.760 0.003 . 1 . . . . . 36 HIS HE1 . 25512 1 81 . 1 1 15 15 VAL H H 1 8.813 0.003 . 1 . . . . . 37 VAL H . 25512 1 82 . 1 1 15 15 VAL HA H 1 4.194 0.003 . 1 . . . . . 37 VAL HA . 25512 1 83 . 1 1 15 15 VAL HB H 1 2.106 0.004 . 1 . . . . . 37 VAL HB . 25512 1 84 . 1 1 15 15 VAL HG11 H 1 1.090 0.004 . 2 . . . . . 37 VAL QG1 . 25512 1 85 . 1 1 15 15 VAL HG12 H 1 1.090 0.004 . 2 . . . . . 37 VAL QG1 . 25512 1 86 . 1 1 15 15 VAL HG13 H 1 1.090 0.004 . 2 . . . . . 37 VAL QG1 . 25512 1 87 . 1 1 15 15 VAL HG21 H 1 0.925 0.003 . 2 . . . . . 37 VAL QG2 . 25512 1 88 . 1 1 15 15 VAL HG22 H 1 0.925 0.003 . 2 . . . . . 37 VAL QG2 . 25512 1 89 . 1 1 15 15 VAL HG23 H 1 0.925 0.003 . 2 . . . . . 37 VAL QG2 . 25512 1 90 . 1 1 16 16 ASN H H 1 8.911 0.002 . 1 . . . . . 38 ASN H . 25512 1 91 . 1 1 16 16 ASN HA H 1 4.947 0.002 . 1 . . . . . 38 ASN HA . 25512 1 92 . 1 1 16 16 ASN HB2 H 1 2.355 0.012 . 2 . . . . . 38 ASN HB2 . 25512 1 93 . 1 1 16 16 ASN HB3 H 1 3.002 0.003 . 2 . . . . . 38 ASN HB3 . 25512 1 94 . 1 1 17 17 HIS H H 1 8.500 0.002 . 1 . . . . . 39 HIS H . 25512 1 95 . 1 1 17 17 HIS HA H 1 4.742 0.001 . 1 . . . . . 39 HIS HA . 25512 1 96 . 1 1 17 17 HIS HB2 H 1 3.155 0.003 . 2 . . . . . 39 HIS HB2 . 25512 1 97 . 1 1 17 17 HIS HB3 H 1 3.281 0.002 . 2 . . . . . 39 HIS HB3 . 25512 1 98 . 1 1 17 17 HIS HD1 H 1 8.512 0.002 . 1 . . . . . 39 HIS HD1 . 25512 1 99 . 1 1 17 17 HIS HD2 H 1 7.352 0.001 . 1 . . . . . 39 HIS HD2 . 25512 1 100 . 1 1 17 17 HIS HE1 H 1 8.630 0.003 . 1 . . . . . 39 HIS HE1 . 25512 1 101 . 1 1 18 18 PHE H H 1 8.330 0.003 . 1 . . . . . 40 PHE H . 25512 1 102 . 1 1 18 18 PHE HA H 1 4.715 0.005 . 1 . . . . . 40 PHE HA . 25512 1 103 . 1 1 18 18 PHE HB2 H 1 2.861 0.002 . 2 . . . . . 40 PHE HB2 . 25512 1 104 . 1 1 18 18 PHE HB3 H 1 3.194 0.004 . 2 . . . . . 40 PHE HB3 . 25512 1 105 . 1 1 18 18 PHE HD1 H 1 7.146 0.002 . 3 . . . . . 40 PHE QD . 25512 1 106 . 1 1 18 18 PHE HD2 H 1 7.146 0.002 . 3 . . . . . 40 PHE QD . 25512 1 107 . 1 1 18 18 PHE HE1 H 1 7.048 0.005 . 3 . . . . . 40 PHE QE . 25512 1 108 . 1 1 18 18 PHE HE2 H 1 7.048 0.005 . 3 . . . . . 40 PHE QE . 25512 1 109 . 1 1 18 18 PHE HZ H 1 6.809 0.001 . 1 . . . . . 40 PHE HZ . 25512 1 110 . 1 1 19 19 ASP H H 1 8.482 0.001 . 1 . . . . . 41 ASP H . 25512 1 111 . 1 1 19 19 ASP HA H 1 4.623 0.000 . 1 . . . . . 41 ASP HA . 25512 1 112 . 1 1 19 19 ASP HB2 H 1 2.615 0.003 . 2 . . . . . 41 ASP HB2 . 25512 1 113 . 1 1 19 19 ASP HB3 H 1 2.717 0.004 . 2 . . . . . 41 ASP HB3 . 25512 1 114 . 1 1 20 20 GLU H H 1 8.210 0.002 . 1 . . . . . 42 GLU H . 25512 1 115 . 1 1 20 20 GLU HA H 1 4.335 0.002 . 1 . . . . . 42 GLU HA . 25512 1 116 . 1 1 20 20 GLU HB2 H 1 2.083 0.003 . 2 . . . . . 42 GLU HB2 . 25512 1 117 . 1 1 20 20 GLU HB3 H 1 1.932 0.004 . 2 . . . . . 42 GLU HB3 . 25512 1 118 . 1 1 20 20 GLU HG2 H 1 2.290 0.004 . 2 . . . . . 42 GLU HG2 . 25512 1 119 . 1 1 20 20 GLU HG3 H 1 2.292 0.000 . 2 . . . . . 42 GLU HG3 . 25512 1 120 . 1 1 21 21 ALA H H 1 8.241 0.000 . 1 . . . . . 43 ALA H . 25512 1 121 . 1 1 21 21 ALA HA H 1 4.578 0.001 . 1 . . . . . 43 ALA HA . 25512 1 122 . 1 1 21 21 ALA HB1 H 1 1.359 0.002 . 1 . . . . . 43 ALA QB . 25512 1 123 . 1 1 21 21 ALA HB2 H 1 1.359 0.002 . 1 . . . . . 43 ALA QB . 25512 1 124 . 1 1 21 21 ALA HB3 H 1 1.359 0.002 . 1 . . . . . 43 ALA QB . 25512 1 125 . 1 1 22 22 PRO HA H 1 4.500 0.001 . 1 . . . . . 44 PRO HA . 25512 1 126 . 1 1 22 22 PRO HB2 H 1 2.013 0.000 . 2 . . . . . 44 PRO HB2 . 25512 1 127 . 1 1 22 22 PRO HB3 H 1 2.287 0.001 . 2 . . . . . 44 PRO HB3 . 25512 1 128 . 1 1 22 22 PRO HG2 H 1 2.009 0.004 . 2 . . . . . 44 PRO HG2 . 25512 1 129 . 1 1 22 22 PRO HG3 H 1 1.963 0.003 . 2 . . . . . 44 PRO HG3 . 25512 1 130 . 1 1 22 22 PRO HD2 H 1 3.636 0.001 . 2 . . . . . 44 PRO HD2 . 25512 1 131 . 1 1 22 22 PRO HD3 H 1 3.733 0.001 . 2 . . . . . 44 PRO HD3 . 25512 1 132 . 1 1 24 24 GLU H H 1 8.290 0.001 . 1 . . . . . 46 GLU H . 25512 1 133 . 1 1 24 24 GLU HA H 1 4.336 0.003 . 1 . . . . . 46 GLU HA . 25512 1 134 . 1 1 24 24 GLU HB2 H 1 2.099 0.005 . 2 . . . . . 46 GLU HB2 . 25512 1 135 . 1 1 24 24 GLU HB3 H 1 1.973 0.003 . 2 . . . . . 46 GLU HB3 . 25512 1 136 . 1 1 24 24 GLU HG2 H 1 2.307 0.003 . 1 . . . . . 46 GLU HG2 . 25512 1 137 . 1 1 24 24 GLU HG3 H 1 2.307 0.003 . 1 . . . . . 46 GLU HG3 . 25512 1 138 . 2 2 2 2 SER C C 13 174.342 0.000 . 1 . . . . . 151 SER C . 25512 1 139 . 2 2 2 2 SER CA C 13 58.334 0.005 . 1 . . . . . 151 SER CA . 25512 1 140 . 2 2 2 2 SER CB C 13 64.091 0.000 . 1 . . . . . 151 SER CB . 25512 1 141 . 2 2 3 3 HIS H H 1 8.656 0.002 . 1 . . . . . 152 HIS H . 25512 1 142 . 2 2 3 3 HIS HA H 1 4.734 0.005 . 1 . . . . . 152 HIS HA . 25512 1 143 . 2 2 3 3 HIS HB2 H 1 3.175 0.005 . 2 . . . . . 152 HIS HB2 . 25512 1 144 . 2 2 3 3 HIS HB3 H 1 3.289 0.004 . 2 . . . . . 152 HIS HB3 . 25512 1 145 . 2 2 3 3 HIS CA C 13 55.615 0.028 . 1 . . . . . 152 HIS CA . 25512 1 146 . 2 2 3 3 HIS CB C 13 29.263 0.063 . 1 . . . . . 152 HIS CB . 25512 1 147 . 2 2 3 3 HIS N N 15 120.667 0.022 . 1 . . . . . 152 HIS N . 25512 1 148 . 2 2 4 4 MET H H 1 8.392 0.014 . 1 . . . . . 153 MET H . 25512 1 149 . 2 2 4 4 MET HA H 1 4.443 0.002 . 1 . . . . . 153 MET HA . 25512 1 150 . 2 2 4 4 MET HB2 H 1 2.037 0.001 . 2 . . . . . 153 MET HB2 . 25512 1 151 . 2 2 4 4 MET HB3 H 1 1.973 0.001 . 2 . . . . . 153 MET HB3 . 25512 1 152 . 2 2 4 4 MET HG2 H 1 2.539 0.002 . 2 . . . . . 153 MET HG2 . 25512 1 153 . 2 2 4 4 MET HG3 H 1 2.490 0.002 . 2 . . . . . 153 MET HG3 . 25512 1 154 . 2 2 4 4 MET C C 13 175.671 0.000 . 1 . . . . . 153 MET C . 25512 1 155 . 2 2 4 4 MET CA C 13 55.727 0.025 . 1 . . . . . 153 MET CA . 25512 1 156 . 2 2 4 4 MET CB C 13 33.013 0.044 . 1 . . . . . 153 MET CB . 25512 1 157 . 2 2 4 4 MET CG C 13 31.972 0.026 . 1 . . . . . 153 MET CG . 25512 1 158 . 2 2 4 4 MET N N 15 121.587 0.094 . 1 . . . . . 153 MET N . 25512 1 159 . 2 2 5 5 ASN H H 1 8.439 0.005 . 1 . . . . . 154 ASN H . 25512 1 160 . 2 2 5 5 ASN HA H 1 4.682 0.004 . 1 . . . . . 154 ASN HA . 25512 1 161 . 2 2 5 5 ASN HB2 H 1 2.839 0.004 . 2 . . . . . 154 ASN HB2 . 25512 1 162 . 2 2 5 5 ASN HB3 H 1 2.774 0.003 . 2 . . . . . 154 ASN HB3 . 25512 1 163 . 2 2 5 5 ASN HD21 H 1 6.898 0.000 . 2 . . . . . 154 ASN HD21 . 25512 1 164 . 2 2 5 5 ASN HD22 H 1 7.574 0.000 . 2 . . . . . 154 ASN HD22 . 25512 1 165 . 2 2 5 5 ASN C C 13 174.822 0.000 . 1 . . . . . 154 ASN C . 25512 1 166 . 2 2 5 5 ASN CA C 13 53.309 0.018 . 1 . . . . . 154 ASN CA . 25512 1 167 . 2 2 5 5 ASN CB C 13 38.971 0.041 . 1 . . . . . 154 ASN CB . 25512 1 168 . 2 2 5 5 ASN N N 15 120.410 0.017 . 1 . . . . . 154 ASN N . 25512 1 169 . 2 2 5 5 ASN ND2 N 15 112.585 0.014 . 1 . . . . . 154 ASN ND2 . 25512 1 170 . 2 2 6 6 ALA H H 1 8.205 0.009 . 1 . . . . . 155 ALA H . 25512 1 171 . 2 2 6 6 ALA HA H 1 4.250 0.002 . 1 . . . . . 155 ALA HA . 25512 1 172 . 2 2 6 6 ALA HB1 H 1 1.375 0.002 . 1 . . . . . 155 ALA QB . 25512 1 173 . 2 2 6 6 ALA HB2 H 1 1.375 0.002 . 1 . . . . . 155 ALA QB . 25512 1 174 . 2 2 6 6 ALA HB3 H 1 1.375 0.002 . 1 . . . . . 155 ALA QB . 25512 1 175 . 2 2 6 6 ALA C C 13 177.614 0.000 . 1 . . . . . 155 ALA C . 25512 1 176 . 2 2 6 6 ALA CA C 13 52.897 0.018 . 1 . . . . . 155 ALA CA . 25512 1 177 . 2 2 6 6 ALA CB C 13 19.368 0.050 . 1 . . . . . 155 ALA CB . 25512 1 178 . 2 2 6 6 ALA N N 15 124.349 0.121 . 1 . . . . . 155 ALA N . 25512 1 179 . 2 2 7 7 LYS H H 1 8.179 0.004 . 1 . . . . . 156 LYS H . 25512 1 180 . 2 2 7 7 LYS HA H 1 4.245 0.003 . 1 . . . . . 156 LYS HA . 25512 1 181 . 2 2 7 7 LYS HB2 H 1 1.757 0.005 . 2 . . . . . 156 LYS HB2 . 25512 1 182 . 2 2 7 7 LYS HB3 H 1 1.784 0.005 . 2 . . . . . 156 LYS HB3 . 25512 1 183 . 2 2 7 7 LYS HG2 H 1 1.396 0.014 . 2 . . . . . 156 LYS HG2 . 25512 1 184 . 2 2 7 7 LYS HG3 H 1 1.453 0.008 . 2 . . . . . 156 LYS HG3 . 25512 1 185 . 2 2 7 7 LYS HE2 H 1 2.997 0.002 . 1 . . . . . 156 LYS HE2 . 25512 1 186 . 2 2 7 7 LYS HE3 H 1 2.997 0.002 . 1 . . . . . 156 LYS HE3 . 25512 1 187 . 2 2 7 7 LYS C C 13 176.563 0.000 . 1 . . . . . 156 LYS C . 25512 1 188 . 2 2 7 7 LYS CA C 13 56.754 0.023 . 1 . . . . . 156 LYS CA . 25512 1 189 . 2 2 7 7 LYS CB C 13 32.943 0.054 . 1 . . . . . 156 LYS CB . 25512 1 190 . 2 2 7 7 LYS CG C 13 24.910 0.061 . 1 . . . . . 156 LYS CG . 25512 1 191 . 2 2 7 7 LYS CD C 13 29.204 0.035 . 1 . . . . . 156 LYS CD . 25512 1 192 . 2 2 7 7 LYS CE C 13 42.288 0.027 . 1 . . . . . 156 LYS CE . 25512 1 193 . 2 2 7 7 LYS N N 15 120.021 0.014 . 1 . . . . . 156 LYS N . 25512 1 194 . 2 2 8 8 ILE H H 1 7.957 0.009 . 1 . . . . . 157 ILE H . 25512 1 195 . 2 2 8 8 ILE HA H 1 4.095 0.002 . 1 . . . . . 157 ILE HA . 25512 1 196 . 2 2 8 8 ILE HB H 1 1.808 0.004 . 1 . . . . . 157 ILE HB . 25512 1 197 . 2 2 8 8 ILE HG12 H 1 1.116 0.006 . 2 . . . . . 157 ILE HG12 . 25512 1 198 . 2 2 8 8 ILE HG13 H 1 1.408 0.004 . 2 . . . . . 157 ILE HG13 . 25512 1 199 . 2 2 8 8 ILE HG21 H 1 0.801 0.002 . 1 . . . . . 157 ILE QG2 . 25512 1 200 . 2 2 8 8 ILE HG22 H 1 0.801 0.002 . 1 . . . . . 157 ILE QG2 . 25512 1 201 . 2 2 8 8 ILE HG23 H 1 0.801 0.002 . 1 . . . . . 157 ILE QG2 . 25512 1 202 . 2 2 8 8 ILE HD11 H 1 0.769 0.003 . 1 . . . . . 157 ILE QD1 . 25512 1 203 . 2 2 8 8 ILE HD12 H 1 0.769 0.003 . 1 . . . . . 157 ILE QD1 . 25512 1 204 . 2 2 8 8 ILE HD13 H 1 0.769 0.003 . 1 . . . . . 157 ILE QD1 . 25512 1 205 . 2 2 8 8 ILE C C 13 175.970 0.000 . 1 . . . . . 157 ILE C . 25512 1 206 . 2 2 8 8 ILE CA C 13 61.200 0.017 . 1 . . . . . 157 ILE CA . 25512 1 207 . 2 2 8 8 ILE CB C 13 38.463 0.031 . 1 . . . . . 157 ILE CB . 25512 1 208 . 2 2 8 8 ILE CG1 C 13 27.326 0.025 . 1 . . . . . 157 ILE CG1 . 25512 1 209 . 2 2 8 8 ILE CG2 C 13 17.545 0.031 . 1 . . . . . 157 ILE CG2 . 25512 1 210 . 2 2 8 8 ILE CD1 C 13 12.786 0.032 . 1 . . . . . 157 ILE CD1 . 25512 1 211 . 2 2 8 8 ILE N N 15 121.197 0.076 . 1 . . . . . 157 ILE N . 25512 1 212 . 2 2 9 9 LEU H H 1 8.058 0.002 . 1 . . . . . 158 LEU H . 25512 1 213 . 2 2 9 9 LEU HA H 1 4.343 0.002 . 1 . . . . . 158 LEU HA . 25512 1 214 . 2 2 9 9 LEU HB2 H 1 1.523 0.009 . 2 . . . . . 158 LEU HB2 . 25512 1 215 . 2 2 9 9 LEU HB3 H 1 1.614 0.003 . 2 . . . . . 158 LEU HB3 . 25512 1 216 . 2 2 9 9 LEU HG H 1 1.549 0.011 . 1 . . . . . 158 LEU HG . 25512 1 217 . 2 2 9 9 LEU HD11 H 1 0.785 0.001 . 2 . . . . . 158 LEU QD1 . 25512 1 218 . 2 2 9 9 LEU HD12 H 1 0.785 0.001 . 2 . . . . . 158 LEU QD1 . 25512 1 219 . 2 2 9 9 LEU HD13 H 1 0.785 0.001 . 2 . . . . . 158 LEU QD1 . 25512 1 220 . 2 2 9 9 LEU HD21 H 1 0.850 0.005 . 2 . . . . . 158 LEU QD2 . 25512 1 221 . 2 2 9 9 LEU HD22 H 1 0.850 0.005 . 2 . . . . . 158 LEU QD2 . 25512 1 222 . 2 2 9 9 LEU HD23 H 1 0.850 0.005 . 2 . . . . . 158 LEU QD2 . 25512 1 223 . 2 2 9 9 LEU C C 13 177.089 0.000 . 1 . . . . . 158 LEU C . 25512 1 224 . 2 2 9 9 LEU CA C 13 55.081 0.050 . 1 . . . . . 158 LEU CA . 25512 1 225 . 2 2 9 9 LEU CB C 13 42.434 0.042 . 1 . . . . . 158 LEU CB . 25512 1 226 . 2 2 9 9 LEU CG C 13 27.033 0.033 . 1 . . . . . 158 LEU CG . 25512 1 227 . 2 2 9 9 LEU CD1 C 13 23.505 0.037 . 2 . . . . . 158 LEU CD1 . 25512 1 228 . 2 2 9 9 LEU CD2 C 13 25.002 0.033 . 2 . . . . . 158 LEU CD2 . 25512 1 229 . 2 2 9 9 LEU N N 15 125.480 0.093 . 1 . . . . . 158 LEU N . 25512 1 230 . 2 2 10 10 LYS H H 1 8.096 0.016 . 1 . . . . . 159 LYS H . 25512 1 231 . 2 2 10 10 LYS HA H 1 4.146 0.002 . 1 . . . . . 159 LYS HA . 25512 1 232 . 2 2 10 10 LYS HB2 H 1 1.727 0.006 . 2 . . . . . 159 LYS HB2 . 25512 1 233 . 2 2 10 10 LYS HB3 H 1 1.566 0.006 . 2 . . . . . 159 LYS HB3 . 25512 1 234 . 2 2 10 10 LYS HG2 H 1 1.202 0.001 . 2 . . . . . 159 LYS HG2 . 25512 1 235 . 2 2 10 10 LYS HG3 H 1 1.154 0.000 . 2 . . . . . 159 LYS HG3 . 25512 1 236 . 2 2 10 10 LYS HE2 H 1 2.838 0.002 . 1 . . . . . 159 LYS HE2 . 25512 1 237 . 2 2 10 10 LYS HE3 H 1 2.838 0.002 . 1 . . . . . 159 LYS HE3 . 25512 1 238 . 2 2 10 10 LYS C C 13 175.892 0.000 . 1 . . . . . 159 LYS C . 25512 1 239 . 2 2 10 10 LYS CA C 13 56.634 0.031 . 1 . . . . . 159 LYS CA . 25512 1 240 . 2 2 10 10 LYS CB C 13 32.957 0.056 . 1 . . . . . 159 LYS CB . 25512 1 241 . 2 2 10 10 LYS CG C 13 24.838 0.021 . 1 . . . . . 159 LYS CG . 25512 1 242 . 2 2 10 10 LYS CD C 13 29.190 0.030 . 1 . . . . . 159 LYS CD . 25512 1 243 . 2 2 10 10 LYS CE C 13 42.092 0.035 . 1 . . . . . 159 LYS CE . 25512 1 244 . 2 2 10 10 LYS N N 15 121.429 0.109 . 1 . . . . . 159 LYS N . 25512 1 245 . 2 2 11 11 ASP H H 1 8.133 0.001 . 1 . . . . . 160 ASP H . 25512 1 246 . 2 2 11 11 ASP HA H 1 4.577 0.004 . 1 . . . . . 160 ASP HA . 25512 1 247 . 2 2 11 11 ASP HB2 H 1 2.770 0.003 . 2 . . . . . 160 ASP HB2 . 25512 1 248 . 2 2 11 11 ASP HB3 H 1 2.579 0.004 . 2 . . . . . 160 ASP HB3 . 25512 1 249 . 2 2 11 11 ASP C C 13 176.517 0.000 . 1 . . . . . 160 ASP C . 25512 1 250 . 2 2 11 11 ASP CA C 13 54.246 0.036 . 1 . . . . . 160 ASP CA . 25512 1 251 . 2 2 11 11 ASP CB C 13 41.969 0.034 . 1 . . . . . 160 ASP CB . 25512 1 252 . 2 2 11 11 ASP N N 15 121.934 0.024 . 1 . . . . . 160 ASP N . 25512 1 253 . 2 2 12 12 ARG H H 1 8.230 0.003 . 1 . . . . . 161 ARG H . 25512 1 254 . 2 2 12 12 ARG HA H 1 4.328 0.003 . 1 . . . . . 161 ARG HA . 25512 1 255 . 2 2 12 12 ARG HB2 H 1 1.849 0.002 . 2 . . . . . 161 ARG HB2 . 25512 1 256 . 2 2 12 12 ARG HB3 H 1 1.761 0.004 . 2 . . . . . 161 ARG HB3 . 25512 1 257 . 2 2 12 12 ARG HG2 H 1 1.658 0.003 . 2 . . . . . 161 ARG HG2 . 25512 1 258 . 2 2 12 12 ARG HG3 H 1 1.650 0.004 . 2 . . . . . 161 ARG HG3 . 25512 1 259 . 2 2 12 12 ARG HD2 H 1 3.216 0.003 . 1 . . . . . 161 ARG HD2 . 25512 1 260 . 2 2 12 12 ARG HD3 H 1 3.216 0.003 . 1 . . . . . 161 ARG HD3 . 25512 1 261 . 2 2 12 12 ARG C C 13 175.942 0.000 . 1 . . . . . 161 ARG C . 25512 1 262 . 2 2 12 12 ARG CA C 13 56.657 0.015 . 1 . . . . . 161 ARG CA . 25512 1 263 . 2 2 12 12 ARG CB C 13 30.380 0.049 . 1 . . . . . 161 ARG CB . 25512 1 264 . 2 2 12 12 ARG CG C 13 27.112 0.022 . 1 . . . . . 161 ARG CG . 25512 1 265 . 2 2 12 12 ARG CD C 13 43.368 0.230 . 1 . . . . . 161 ARG CD . 25512 1 266 . 2 2 12 12 ARG N N 15 122.461 0.019 . 1 . . . . . 161 ARG N . 25512 1 267 . 2 2 13 13 ARG H H 1 8.365 0.007 . 1 . . . . . 162 ARG H . 25512 1 268 . 2 2 13 13 ARG HA H 1 4.189 0.002 . 1 . . . . . 162 ARG HA . 25512 1 269 . 2 2 13 13 ARG HB2 H 1 1.499 0.015 . 2 . . . . . 162 ARG HB2 . 25512 1 270 . 2 2 13 13 ARG HB3 H 1 1.588 0.003 . 2 . . . . . 162 ARG HB3 . 25512 1 271 . 2 2 13 13 ARG HG2 H 1 1.459 0.006 . 2 . . . . . 162 ARG HG2 . 25512 1 272 . 2 2 13 13 ARG HG3 H 1 1.457 0.002 . 2 . . . . . 162 ARG HG3 . 25512 1 273 . 2 2 13 13 ARG HD2 H 1 3.165 0.013 . 2 . . . . . 162 ARG HD2 . 25512 1 274 . 2 2 13 13 ARG HD3 H 1 3.095 0.003 . 2 . . . . . 162 ARG HD3 . 25512 1 275 . 2 2 13 13 ARG HE H 1 7.331 0.001 . 1 . . . . . 162 ARG HE . 25512 1 276 . 2 2 13 13 ARG C C 13 176.244 0.000 . 1 . . . . . 162 ARG C . 25512 1 277 . 2 2 13 13 ARG CA C 13 56.777 0.028 . 1 . . . . . 162 ARG CA . 25512 1 278 . 2 2 13 13 ARG CB C 13 30.795 0.053 . 1 . . . . . 162 ARG CB . 25512 1 279 . 2 2 13 13 ARG CG C 13 26.822 0.029 . 1 . . . . . 162 ARG CG . 25512 1 280 . 2 2 13 13 ARG CD C 13 43.533 0.054 . 1 . . . . . 162 ARG CD . 25512 1 281 . 2 2 13 13 ARG CZ C 13 159.765 0.000 . 1 . . . . . 162 ARG CZ . 25512 1 282 . 2 2 13 13 ARG N N 15 120.240 0.083 . 1 . . . . . 162 ARG N . 25512 1 283 . 2 2 13 13 ARG NE N 15 84.883 0.003 . 1 . . . . . 162 ARG NE . 25512 1 284 . 2 2 14 14 TYR H H 1 7.819 0.002 . 1 . . . . . 163 TYR H . 25512 1 285 . 2 2 14 14 TYR HA H 1 5.342 0.003 . 1 . . . . . 163 TYR HA . 25512 1 286 . 2 2 14 14 TYR HB2 H 1 2.748 0.002 . 2 . . . . . 163 TYR HB2 . 25512 1 287 . 2 2 14 14 TYR HB3 H 1 2.705 0.005 . 2 . . . . . 163 TYR HB3 . 25512 1 288 . 2 2 14 14 TYR HD1 H 1 6.999 0.003 . 3 . . . . . 163 TYR QD . 25512 1 289 . 2 2 14 14 TYR HD2 H 1 6.999 0.003 . 3 . . . . . 163 TYR QD . 25512 1 290 . 2 2 14 14 TYR HE1 H 1 6.785 0.001 . 3 . . . . . 163 TYR QE . 25512 1 291 . 2 2 14 14 TYR HE2 H 1 6.785 0.001 . 3 . . . . . 163 TYR QE . 25512 1 292 . 2 2 14 14 TYR C C 13 174.042 0.000 . 1 . . . . . 163 TYR C . 25512 1 293 . 2 2 14 14 TYR CA C 13 55.847 0.021 . 1 . . . . . 163 TYR CA . 25512 1 294 . 2 2 14 14 TYR CB C 13 40.492 0.062 . 1 . . . . . 163 TYR CB . 25512 1 295 . 2 2 14 14 TYR CD1 C 13 132.502 0.027 . 1 . . . . . 163 TYR CD1 . 25512 1 296 . 2 2 14 14 TYR CD2 C 13 132.502 0.027 . 1 . . . . . 163 TYR CD2 . 25512 1 297 . 2 2 14 14 TYR CE1 C 13 118.656 0.024 . 1 . . . . . 163 TYR CE1 . 25512 1 298 . 2 2 14 14 TYR CE2 C 13 118.656 0.024 . 1 . . . . . 163 TYR CE2 . 25512 1 299 . 2 2 14 14 TYR N N 15 118.998 0.031 . 1 . . . . . 163 TYR N . 25512 1 300 . 2 2 15 15 TYR H H 1 9.277 0.004 . 1 . . . . . 164 TYR H . 25512 1 301 . 2 2 15 15 TYR HA H 1 4.816 0.003 . 1 . . . . . 164 TYR HA . 25512 1 302 . 2 2 15 15 TYR HB2 H 1 3.433 0.004 . 2 . . . . . 164 TYR HB2 . 25512 1 303 . 2 2 15 15 TYR HB3 H 1 2.927 0.002 . 2 . . . . . 164 TYR HB3 . 25512 1 304 . 2 2 15 15 TYR HD1 H 1 7.243 0.002 . 3 . . . . . 164 TYR QD . 25512 1 305 . 2 2 15 15 TYR HD2 H 1 7.243 0.002 . 3 . . . . . 164 TYR QD . 25512 1 306 . 2 2 15 15 TYR HE1 H 1 6.736 0.001 . 3 . . . . . 164 TYR QE . 25512 1 307 . 2 2 15 15 TYR HE2 H 1 6.736 0.001 . 3 . . . . . 164 TYR QE . 25512 1 308 . 2 2 15 15 TYR C C 13 176.074 0.000 . 1 . . . . . 164 TYR C . 25512 1 309 . 2 2 15 15 TYR CA C 13 58.436 0.050 . 1 . . . . . 164 TYR CA . 25512 1 310 . 2 2 15 15 TYR CB C 13 40.889 0.034 . 1 . . . . . 164 TYR CB . 25512 1 311 . 2 2 15 15 TYR CD1 C 13 133.298 0.044 . 1 . . . . . 164 TYR CD1 . 25512 1 312 . 2 2 15 15 TYR CD2 C 13 133.298 0.044 . 1 . . . . . 164 TYR CD2 . 25512 1 313 . 2 2 15 15 TYR CE1 C 13 118.834 0.000 . 1 . . . . . 164 TYR CE1 . 25512 1 314 . 2 2 15 15 TYR CE2 C 13 118.834 0.000 . 1 . . . . . 164 TYR CE2 . 25512 1 315 . 2 2 15 15 TYR N N 15 123.279 0.012 . 1 . . . . . 164 TYR N . 25512 1 316 . 2 2 16 16 TYR H H 1 8.608 0.010 . 1 . . . . . 165 TYR H . 25512 1 317 . 2 2 16 16 TYR HA H 1 5.192 0.002 . 1 . . . . . 165 TYR HA . 25512 1 318 . 2 2 16 16 TYR HB2 H 1 2.837 0.003 . 2 . . . . . 165 TYR HB2 . 25512 1 319 . 2 2 16 16 TYR HB3 H 1 3.615 0.002 . 2 . . . . . 165 TYR HB3 . 25512 1 320 . 2 2 16 16 TYR HD1 H 1 7.172 0.002 . 3 . . . . . 165 TYR QD . 25512 1 321 . 2 2 16 16 TYR HD2 H 1 7.172 0.002 . 3 . . . . . 165 TYR QD . 25512 1 322 . 2 2 16 16 TYR HE1 H 1 6.608 0.002 . 3 . . . . . 165 TYR QE . 25512 1 323 . 2 2 16 16 TYR HE2 H 1 6.608 0.002 . 3 . . . . . 165 TYR QE . 25512 1 324 . 2 2 16 16 TYR C C 13 175.990 0.000 . 1 . . . . . 165 TYR C . 25512 1 325 . 2 2 16 16 TYR CA C 13 57.854 0.029 . 1 . . . . . 165 TYR CA . 25512 1 326 . 2 2 16 16 TYR CB C 13 40.656 0.062 . 1 . . . . . 165 TYR CB . 25512 1 327 . 2 2 16 16 TYR CD1 C 13 133.690 0.092 . 1 . . . . . 165 TYR CD1 . 25512 1 328 . 2 2 16 16 TYR CD2 C 13 133.690 0.092 . 1 . . . . . 165 TYR CD2 . 25512 1 329 . 2 2 16 16 TYR CE1 C 13 118.235 0.030 . 1 . . . . . 165 TYR CE1 . 25512 1 330 . 2 2 16 16 TYR CE2 C 13 118.235 0.030 . 1 . . . . . 165 TYR CE2 . 25512 1 331 . 2 2 16 16 TYR N N 15 122.101 0.121 . 1 . . . . . 165 TYR N . 25512 1 332 . 2 2 17 17 ASP H H 1 5.850 0.002 . 1 . . . . . 166 ASP H . 25512 1 333 . 2 2 17 17 ASP HA H 1 4.759 0.012 . 1 . . . . . 166 ASP HA . 25512 1 334 . 2 2 17 17 ASP HB2 H 1 1.926 0.005 . 2 . . . . . 166 ASP HB2 . 25512 1 335 . 2 2 17 17 ASP HB3 H 1 3.044 0.002 . 2 . . . . . 166 ASP HB3 . 25512 1 336 . 2 2 17 17 ASP C C 13 172.080 0.000 . 1 . . . . . 166 ASP C . 25512 1 337 . 2 2 17 17 ASP CA C 13 54.065 0.007 . 1 . . . . . 166 ASP CA . 25512 1 338 . 2 2 17 17 ASP CB C 13 39.044 0.037 . 1 . . . . . 166 ASP CB . 25512 1 339 . 2 2 17 17 ASP N N 15 121.826 0.017 . 1 . . . . . 166 ASP N . 25512 1 340 . 2 2 18 18 TYR H H 1 8.030 0.002 . 1 . . . . . 167 TYR H . 25512 1 341 . 2 2 18 18 TYR HA H 1 5.602 0.004 . 1 . . . . . 167 TYR HA . 25512 1 342 . 2 2 18 18 TYR HB2 H 1 2.706 0.004 . 2 . . . . . 167 TYR HB2 . 25512 1 343 . 2 2 18 18 TYR HB3 H 1 2.623 0.003 . 2 . . . . . 167 TYR HB3 . 25512 1 344 . 2 2 18 18 TYR HD1 H 1 6.691 0.002 . 3 . . . . . 167 TYR QD . 25512 1 345 . 2 2 18 18 TYR HD2 H 1 6.691 0.002 . 3 . . . . . 167 TYR QD . 25512 1 346 . 2 2 18 18 TYR C C 13 175.952 0.000 . 1 . . . . . 167 TYR C . 25512 1 347 . 2 2 18 18 TYR CA C 13 56.831 0.014 . 1 . . . . . 167 TYR CA . 25512 1 348 . 2 2 18 18 TYR CB C 13 44.434 0.046 . 1 . . . . . 167 TYR CB . 25512 1 349 . 2 2 18 18 TYR CD1 C 13 132.454 0.000 . 1 . . . . . 167 TYR CD1 . 25512 1 350 . 2 2 18 18 TYR CD2 C 13 132.454 0.000 . 1 . . . . . 167 TYR CD2 . 25512 1 351 . 2 2 18 18 TYR N N 15 122.567 0.031 . 1 . . . . . 167 TYR N . 25512 1 352 . 2 2 19 19 ASP H H 1 8.929 0.003 . 1 . . . . . 168 ASP H . 25512 1 353 . 2 2 19 19 ASP HA H 1 6.138 0.002 . 1 . . . . . 168 ASP HA . 25512 1 354 . 2 2 19 19 ASP HB2 H 1 3.094 0.004 . 2 . . . . . 168 ASP HB2 . 25512 1 355 . 2 2 19 19 ASP HB3 H 1 2.540 0.003 . 2 . . . . . 168 ASP HB3 . 25512 1 356 . 2 2 19 19 ASP C C 13 175.024 0.000 . 1 . . . . . 168 ASP C . 25512 1 357 . 2 2 19 19 ASP CA C 13 52.852 0.042 . 1 . . . . . 168 ASP CA . 25512 1 358 . 2 2 19 19 ASP CB C 13 46.378 0.034 . 1 . . . . . 168 ASP CB . 25512 1 359 . 2 2 19 19 ASP N N 15 121.901 0.018 . 1 . . . . . 168 ASP N . 25512 1 360 . 2 2 20 20 TYR H H 1 10.345 0.002 . 1 . . . . . 169 TYR H . 25512 1 361 . 2 2 20 20 TYR HA H 1 6.550 0.002 . 1 . . . . . 169 TYR HA . 25512 1 362 . 2 2 20 20 TYR HB2 H 1 2.746 0.002 . 2 . . . . . 169 TYR HB2 . 25512 1 363 . 2 2 20 20 TYR HB3 H 1 3.009 0.004 . 2 . . . . . 169 TYR HB3 . 25512 1 364 . 2 2 20 20 TYR HD1 H 1 6.824 0.012 . 3 . . . . . 169 TYR QD . 25512 1 365 . 2 2 20 20 TYR HD2 H 1 6.824 0.012 . 3 . . . . . 169 TYR QD . 25512 1 366 . 2 2 20 20 TYR C C 13 172.807 0.000 . 1 . . . . . 169 TYR C . 25512 1 367 . 2 2 20 20 TYR CA C 13 55.276 0.035 . 1 . . . . . 169 TYR CA . 25512 1 368 . 2 2 20 20 TYR CB C 13 42.728 0.057 . 1 . . . . . 169 TYR CB . 25512 1 369 . 2 2 20 20 TYR CD1 C 13 132.496 0.035 . 1 . . . . . 169 TYR CD1 . 25512 1 370 . 2 2 20 20 TYR CD2 C 13 132.496 0.035 . 1 . . . . . 169 TYR CD2 . 25512 1 371 . 2 2 20 20 TYR N N 15 117.698 0.016 . 1 . . . . . 169 TYR N . 25512 1 372 . 2 2 21 21 ALA H H 1 8.575 0.002 . 1 . . . . . 170 ALA H . 25512 1 373 . 2 2 21 21 ALA HA H 1 4.331 0.002 . 1 . . . . . 170 ALA HA . 25512 1 374 . 2 2 21 21 ALA HB1 H 1 -0.337 0.002 . 1 . . . . . 170 ALA QB . 25512 1 375 . 2 2 21 21 ALA HB2 H 1 -0.337 0.002 . 1 . . . . . 170 ALA QB . 25512 1 376 . 2 2 21 21 ALA HB3 H 1 -0.337 0.002 . 1 . . . . . 170 ALA QB . 25512 1 377 . 2 2 21 21 ALA C C 13 175.907 0.000 . 1 . . . . . 170 ALA C . 25512 1 378 . 2 2 21 21 ALA CA C 13 51.201 0.037 . 1 . . . . . 170 ALA CA . 25512 1 379 . 2 2 21 21 ALA CB C 13 19.567 0.025 . 1 . . . . . 170 ALA CB . 25512 1 380 . 2 2 21 21 ALA N N 15 123.260 0.024 . 1 . . . . . 170 ALA N . 25512 1 381 . 2 2 22 22 THR H H 1 8.443 0.003 . 1 . . . . . 171 THR H . 25512 1 382 . 2 2 22 22 THR HA H 1 4.926 0.002 . 1 . . . . . 171 THR HA . 25512 1 383 . 2 2 22 22 THR HB H 1 4.723 0.011 . 1 . . . . . 171 THR HB . 25512 1 384 . 2 2 22 22 THR HG21 H 1 1.277 0.004 . 1 . . . . . 171 THR QG2 . 25512 1 385 . 2 2 22 22 THR HG22 H 1 1.277 0.004 . 1 . . . . . 171 THR QG2 . 25512 1 386 . 2 2 22 22 THR HG23 H 1 1.277 0.004 . 1 . . . . . 171 THR QG2 . 25512 1 387 . 2 2 22 22 THR C C 13 172.088 0.000 . 1 . . . . . 171 THR C . 25512 1 388 . 2 2 22 22 THR CA C 13 61.878 0.036 . 1 . . . . . 171 THR CA . 25512 1 389 . 2 2 22 22 THR CB C 13 69.407 0.018 . 1 . . . . . 171 THR CB . 25512 1 390 . 2 2 22 22 THR CG2 C 13 18.653 0.038 . 1 . . . . . 171 THR CG2 . 25512 1 391 . 2 2 22 22 THR N N 15 115.932 0.024 . 1 . . . . . 171 THR N . 25512 1 392 . 2 2 23 23 ARG H H 1 9.030 0.002 . 1 . . . . . 172 ARG H . 25512 1 393 . 2 2 23 23 ARG HA H 1 4.591 0.004 . 1 . . . . . 172 ARG HA . 25512 1 394 . 2 2 23 23 ARG HB2 H 1 1.710 0.004 . 2 . . . . . 172 ARG HB2 . 25512 1 395 . 2 2 23 23 ARG HB3 H 1 2.052 0.006 . 2 . . . . . 172 ARG HB3 . 25512 1 396 . 2 2 23 23 ARG HG2 H 1 1.565 0.006 . 2 . . . . . 172 ARG HG2 . 25512 1 397 . 2 2 23 23 ARG HG3 H 1 1.568 0.006 . 2 . . . . . 172 ARG HG3 . 25512 1 398 . 2 2 23 23 ARG HD2 H 1 3.179 0.003 . 2 . . . . . 172 ARG HD2 . 25512 1 399 . 2 2 23 23 ARG HD3 H 1 3.178 0.003 . 2 . . . . . 172 ARG HD3 . 25512 1 400 . 2 2 23 23 ARG C C 13 177.120 0.000 . 1 . . . . . 172 ARG C . 25512 1 401 . 2 2 23 23 ARG CA C 13 55.779 0.033 . 1 . . . . . 172 ARG CA . 25512 1 402 . 2 2 23 23 ARG CB C 13 31.132 0.049 . 1 . . . . . 172 ARG CB . 25512 1 403 . 2 2 23 23 ARG CG C 13 27.704 0.062 . 1 . . . . . 172 ARG CG . 25512 1 404 . 2 2 23 23 ARG CD C 13 43.544 0.026 . 1 . . . . . 172 ARG CD . 25512 1 405 . 2 2 23 23 ARG N N 15 123.374 0.034 . 1 . . . . . 172 ARG N . 25512 1 406 . 2 2 24 24 THR H H 1 8.547 0.004 . 1 . . . . . 173 THR H . 25512 1 407 . 2 2 24 24 THR HA H 1 4.336 0.003 . 1 . . . . . 173 THR HA . 25512 1 408 . 2 2 24 24 THR HB H 1 4.256 0.003 . 1 . . . . . 173 THR HB . 25512 1 409 . 2 2 24 24 THR HG21 H 1 1.036 0.002 . 1 . . . . . 173 THR QG2 . 25512 1 410 . 2 2 24 24 THR HG22 H 1 1.036 0.002 . 1 . . . . . 173 THR QG2 . 25512 1 411 . 2 2 24 24 THR HG23 H 1 1.036 0.002 . 1 . . . . . 173 THR QG2 . 25512 1 412 . 2 2 24 24 THR C C 13 173.523 0.000 . 1 . . . . . 173 THR C . 25512 1 413 . 2 2 24 24 THR CA C 13 62.851 0.041 . 1 . . . . . 173 THR CA . 25512 1 414 . 2 2 24 24 THR CB C 13 69.347 0.023 . 1 . . . . . 173 THR CB . 25512 1 415 . 2 2 24 24 THR CG2 C 13 20.614 0.042 . 1 . . . . . 173 THR CG2 . 25512 1 416 . 2 2 24 24 THR N N 15 117.262 0.020 . 1 . . . . . 173 THR N . 25512 1 417 . 2 2 25 25 LYS H H 1 8.523 0.002 . 1 . . . . . 174 LYS H . 25512 1 418 . 2 2 25 25 LYS HA H 1 4.584 0.001 . 1 . . . . . 174 LYS HA . 25512 1 419 . 2 2 25 25 LYS HB2 H 1 1.588 0.003 . 2 . . . . . 174 LYS HB2 . 25512 1 420 . 2 2 25 25 LYS HB3 H 1 2.052 0.007 . 2 . . . . . 174 LYS HB3 . 25512 1 421 . 2 2 25 25 LYS HG2 H 1 1.492 0.013 . 2 . . . . . 174 LYS HG2 . 25512 1 422 . 2 2 25 25 LYS HG3 H 1 1.571 0.007 . 2 . . . . . 174 LYS HG3 . 25512 1 423 . 2 2 25 25 LYS HD2 H 1 1.736 0.002 . 2 . . . . . 174 LYS HD2 . 25512 1 424 . 2 2 25 25 LYS HD3 H 1 1.820 0.003 . 2 . . . . . 174 LYS HD3 . 25512 1 425 . 2 2 25 25 LYS HE2 H 1 3.066 0.006 . 2 . . . . . 174 LYS HE2 . 25512 1 426 . 2 2 25 25 LYS HE3 H 1 3.067 0.005 . 2 . . . . . 174 LYS HE3 . 25512 1 427 . 2 2 25 25 LYS C C 13 175.478 0.000 . 1 . . . . . 174 LYS C . 25512 1 428 . 2 2 25 25 LYS CA C 13 56.354 0.008 . 1 . . . . . 174 LYS CA . 25512 1 429 . 2 2 25 25 LYS CB C 13 36.695 0.034 . 1 . . . . . 174 LYS CB . 25512 1 430 . 2 2 25 25 LYS CG C 13 25.349 0.078 . 1 . . . . . 174 LYS CG . 25512 1 431 . 2 2 25 25 LYS CD C 13 29.435 0.054 . 1 . . . . . 174 LYS CD . 25512 1 432 . 2 2 25 25 LYS CE C 13 42.460 0.055 . 1 . . . . . 174 LYS CE . 25512 1 433 . 2 2 25 25 LYS N N 15 124.324 0.036 . 1 . . . . . 174 LYS N . 25512 1 434 . 2 2 26 26 LYS H H 1 8.174 0.006 . 1 . . . . . 175 LYS H . 25512 1 435 . 2 2 26 26 LYS HA H 1 4.028 0.003 . 1 . . . . . 175 LYS HA . 25512 1 436 . 2 2 26 26 LYS HB2 H 1 1.374 0.004 . 2 . . . . . 175 LYS HB2 . 25512 1 437 . 2 2 26 26 LYS HB3 H 1 0.547 0.009 . 2 . . . . . 175 LYS HB3 . 25512 1 438 . 2 2 26 26 LYS HG2 H 1 1.182 0.009 . 2 . . . . . 175 LYS HG2 . 25512 1 439 . 2 2 26 26 LYS HG3 H 1 1.190 0.008 . 2 . . . . . 175 LYS HG3 . 25512 1 440 . 2 2 26 26 LYS HD2 H 1 1.597 0.006 . 2 . . . . . 175 LYS HD2 . 25512 1 441 . 2 2 26 26 LYS HD3 H 1 1.518 0.005 . 2 . . . . . 175 LYS HD3 . 25512 1 442 . 2 2 26 26 LYS HE2 H 1 3.066 0.005 . 2 . . . . . 175 LYS HE2 . 25512 1 443 . 2 2 26 26 LYS HE3 H 1 3.065 0.006 . 2 . . . . . 175 LYS HE3 . 25512 1 444 . 2 2 26 26 LYS C C 13 175.519 0.000 . 1 . . . . . 175 LYS C . 25512 1 445 . 2 2 26 26 LYS CA C 13 54.544 0.041 . 1 . . . . . 175 LYS CA . 25512 1 446 . 2 2 26 26 LYS CB C 13 30.227 0.073 . 1 . . . . . 175 LYS CB . 25512 1 447 . 2 2 26 26 LYS CG C 13 24.562 0.028 . 1 . . . . . 175 LYS CG . 25512 1 448 . 2 2 26 26 LYS CD C 13 29.106 0.060 . 1 . . . . . 175 LYS CD . 25512 1 449 . 2 2 26 26 LYS CE C 13 42.641 0.045 . 1 . . . . . 175 LYS CE . 25512 1 450 . 2 2 26 26 LYS N N 15 121.615 0.105 . 1 . . . . . 175 LYS N . 25512 1 451 . 2 2 27 27 SER H H 1 7.898 0.003 . 1 . . . . . 176 SER H . 25512 1 452 . 2 2 27 27 SER HA H 1 3.905 0.004 . 1 . . . . . 176 SER HA . 25512 1 453 . 2 2 27 27 SER HB2 H 1 3.968 0.006 . 2 . . . . . 176 SER HB2 . 25512 1 454 . 2 2 27 27 SER HB3 H 1 3.817 0.007 . 2 . . . . . 176 SER HB3 . 25512 1 455 . 2 2 27 27 SER C C 13 175.331 0.000 . 1 . . . . . 176 SER C . 25512 1 456 . 2 2 27 27 SER CA C 13 60.733 0.039 . 1 . . . . . 176 SER CA . 25512 1 457 . 2 2 27 27 SER CB C 13 63.076 0.058 . 1 . . . . . 176 SER CB . 25512 1 458 . 2 2 27 27 SER N N 15 118.508 0.035 . 1 . . . . . 176 SER N . 25512 1 459 . 2 2 28 28 TRP H H 1 7.233 0.008 . 1 . . . . . 177 TRP H . 25512 1 460 . 2 2 28 28 TRP HA H 1 4.623 0.004 . 1 . . . . . 177 TRP HA . 25512 1 461 . 2 2 28 28 TRP HB2 H 1 3.217 0.002 . 2 . . . . . 177 TRP HB2 . 25512 1 462 . 2 2 28 28 TRP HB3 H 1 3.408 0.004 . 2 . . . . . 177 TRP HB3 . 25512 1 463 . 2 2 28 28 TRP HD1 H 1 7.131 0.002 . 1 . . . . . 177 TRP HD1 . 25512 1 464 . 2 2 28 28 TRP HE1 H 1 10.232 0.002 . 1 . . . . . 177 TRP HE1 . 25512 1 465 . 2 2 28 28 TRP HE3 H 1 7.271 0.003 . 1 . . . . . 177 TRP HE3 . 25512 1 466 . 2 2 28 28 TRP HZ2 H 1 7.403 0.001 . 1 . . . . . 177 TRP HZ2 . 25512 1 467 . 2 2 28 28 TRP HZ3 H 1 6.713 0.004 . 1 . . . . . 177 TRP HZ3 . 25512 1 468 . 2 2 28 28 TRP HH2 H 1 7.013 0.002 . 1 . . . . . 177 TRP HH2 . 25512 1 469 . 2 2 28 28 TRP C C 13 176.110 0.000 . 1 . . . . . 177 TRP C . 25512 1 470 . 2 2 28 28 TRP CA C 13 56.546 0.056 . 1 . . . . . 177 TRP CA . 25512 1 471 . 2 2 28 28 TRP CB C 13 28.099 0.042 . 1 . . . . . 177 TRP CB . 25512 1 472 . 2 2 28 28 TRP CD1 C 13 127.455 0.074 . 1 . . . . . 177 TRP CD1 . 25512 1 473 . 2 2 28 28 TRP CE3 C 13 120.595 0.078 . 1 . . . . . 177 TRP CE3 . 25512 1 474 . 2 2 28 28 TRP CZ2 C 13 114.422 0.013 . 1 . . . . . 177 TRP CZ2 . 25512 1 475 . 2 2 28 28 TRP CZ3 C 13 122.336 0.010 . 1 . . . . . 177 TRP CZ3 . 25512 1 476 . 2 2 28 28 TRP CH2 C 13 124.550 0.024 . 1 . . . . . 177 TRP CH2 . 25512 1 477 . 2 2 28 28 TRP N N 15 119.224 0.061 . 1 . . . . . 177 TRP N . 25512 1 478 . 2 2 28 28 TRP NE1 N 15 130.116 0.005 . 1 . . . . . 177 TRP NE1 . 25512 1 479 . 2 2 29 29 LEU H H 1 7.301 0.005 . 1 . . . . . 178 LEU H . 25512 1 480 . 2 2 29 29 LEU HA H 1 4.165 0.002 . 1 . . . . . 178 LEU HA . 25512 1 481 . 2 2 29 29 LEU HB2 H 1 1.073 0.004 . 2 . . . . . 178 LEU HB2 . 25512 1 482 . 2 2 29 29 LEU HB3 H 1 1.404 0.002 . 2 . . . . . 178 LEU HB3 . 25512 1 483 . 2 2 29 29 LEU HG H 1 1.267 0.004 . 1 . . . . . 178 LEU HG . 25512 1 484 . 2 2 29 29 LEU HD11 H 1 0.769 0.004 . 2 . . . . . 178 LEU QD1 . 25512 1 485 . 2 2 29 29 LEU HD12 H 1 0.769 0.004 . 2 . . . . . 178 LEU QD1 . 25512 1 486 . 2 2 29 29 LEU HD13 H 1 0.769 0.004 . 2 . . . . . 178 LEU QD1 . 25512 1 487 . 2 2 29 29 LEU HD21 H 1 0.652 0.005 . 2 . . . . . 178 LEU QD2 . 25512 1 488 . 2 2 29 29 LEU HD22 H 1 0.652 0.005 . 2 . . . . . 178 LEU QD2 . 25512 1 489 . 2 2 29 29 LEU HD23 H 1 0.652 0.005 . 2 . . . . . 178 LEU QD2 . 25512 1 490 . 2 2 29 29 LEU C C 13 174.533 0.000 . 1 . . . . . 178 LEU C . 25512 1 491 . 2 2 29 29 LEU CA C 13 54.372 0.019 . 1 . . . . . 178 LEU CA . 25512 1 492 . 2 2 29 29 LEU CB C 13 42.856 0.035 . 1 . . . . . 178 LEU CB . 25512 1 493 . 2 2 29 29 LEU CG C 13 26.841 0.101 . 1 . . . . . 178 LEU CG . 25512 1 494 . 2 2 29 29 LEU CD1 C 13 25.699 0.069 . 2 . . . . . 178 LEU CD1 . 25512 1 495 . 2 2 29 29 LEU CD2 C 13 25.034 0.052 . 2 . . . . . 178 LEU CD2 . 25512 1 496 . 2 2 29 29 LEU N N 15 121.024 0.027 . 1 . . . . . 178 LEU N . 25512 1 497 . 2 2 30 30 ILE H H 1 6.937 0.002 . 1 . . . . . 179 ILE H . 25512 1 498 . 2 2 30 30 ILE HA H 1 3.750 0.002 . 1 . . . . . 179 ILE HA . 25512 1 499 . 2 2 30 30 ILE HB H 1 1.703 0.004 . 1 . . . . . 179 ILE HB . 25512 1 500 . 2 2 30 30 ILE HG12 H 1 0.628 0.003 . 2 . . . . . 179 ILE HG12 . 25512 1 501 . 2 2 30 30 ILE HG13 H 1 1.437 0.003 . 2 . . . . . 179 ILE HG13 . 25512 1 502 . 2 2 30 30 ILE HG21 H 1 0.175 0.002 . 1 . . . . . 179 ILE QG2 . 25512 1 503 . 2 2 30 30 ILE HG22 H 1 0.175 0.002 . 1 . . . . . 179 ILE QG2 . 25512 1 504 . 2 2 30 30 ILE HG23 H 1 0.175 0.002 . 1 . . . . . 179 ILE QG2 . 25512 1 505 . 2 2 30 30 ILE HD11 H 1 0.814 0.005 . 1 . . . . . 179 ILE QD1 . 25512 1 506 . 2 2 30 30 ILE HD12 H 1 0.814 0.005 . 1 . . . . . 179 ILE QD1 . 25512 1 507 . 2 2 30 30 ILE HD13 H 1 0.814 0.005 . 1 . . . . . 179 ILE QD1 . 25512 1 508 . 2 2 30 30 ILE CA C 13 59.217 0.025 . 1 . . . . . 179 ILE CA . 25512 1 509 . 2 2 30 30 ILE CB C 13 38.273 0.019 . 1 . . . . . 179 ILE CB . 25512 1 510 . 2 2 30 30 ILE CG1 C 13 28.706 0.055 . 1 . . . . . 179 ILE CG1 . 25512 1 511 . 2 2 30 30 ILE CG2 C 13 15.406 0.020 . 1 . . . . . 179 ILE CG2 . 25512 1 512 . 2 2 30 30 ILE CD1 C 13 13.734 0.028 . 1 . . . . . 179 ILE CD1 . 25512 1 513 . 2 2 30 30 ILE N N 15 117.048 0.015 . 1 . . . . . 179 ILE N . 25512 1 514 . 2 2 31 31 PRO HA H 1 4.509 0.002 . 1 . . . . . 180 PRO HA . 25512 1 515 . 2 2 31 31 PRO HB2 H 1 1.607 0.006 . 2 . . . . . 180 PRO HB2 . 25512 1 516 . 2 2 31 31 PRO HB3 H 1 2.272 0.003 . 2 . . . . . 180 PRO HB3 . 25512 1 517 . 2 2 31 31 PRO HG2 H 1 1.746 0.005 . 2 . . . . . 180 PRO HG2 . 25512 1 518 . 2 2 31 31 PRO HG3 H 1 1.743 0.004 . 2 . . . . . 180 PRO HG3 . 25512 1 519 . 2 2 31 31 PRO HD2 H 1 4.238 0.004 . 2 . . . . . 180 PRO HD2 . 25512 1 520 . 2 2 31 31 PRO HD3 H 1 3.106 0.003 . 2 . . . . . 180 PRO HD3 . 25512 1 521 . 2 2 31 31 PRO C C 13 174.862 0.000 . 1 . . . . . 180 PRO C . 25512 1 522 . 2 2 31 31 PRO CA C 13 62.965 0.066 . 1 . . . . . 180 PRO CA . 25512 1 523 . 2 2 31 31 PRO CB C 13 33.379 0.058 . 1 . . . . . 180 PRO CB . 25512 1 524 . 2 2 31 31 PRO CG C 13 27.908 0.040 . 1 . . . . . 180 PRO CG . 25512 1 525 . 2 2 31 31 PRO CD C 13 50.311 0.053 . 1 . . . . . 180 PRO CD . 25512 1 526 . 2 2 32 32 SER H H 1 8.458 0.002 . 1 . . . . . 181 SER H . 25512 1 527 . 2 2 32 32 SER HA H 1 4.448 0.002 . 1 . . . . . 181 SER HA . 25512 1 528 . 2 2 32 32 SER HB2 H 1 3.924 0.003 . 2 . . . . . 181 SER HB2 . 25512 1 529 . 2 2 32 32 SER HB3 H 1 3.917 0.003 . 2 . . . . . 181 SER HB3 . 25512 1 530 . 2 2 32 32 SER C C 13 174.861 0.000 . 1 . . . . . 181 SER C . 25512 1 531 . 2 2 32 32 SER CA C 13 59.049 0.055 . 1 . . . . . 181 SER CA . 25512 1 532 . 2 2 32 32 SER CB C 13 63.874 0.025 . 1 . . . . . 181 SER CB . 25512 1 533 . 2 2 32 32 SER N N 15 114.946 0.013 . 1 . . . . . 181 SER N . 25512 1 534 . 2 2 33 33 ARG H H 1 7.282 0.003 . 1 . . . . . 182 ARG H . 25512 1 535 . 2 2 33 33 ARG HA H 1 4.981 0.002 . 1 . . . . . 182 ARG HA . 25512 1 536 . 2 2 33 33 ARG HB2 H 1 1.903 0.009 . 2 . . . . . 182 ARG HB2 . 25512 1 537 . 2 2 33 33 ARG HB3 H 1 2.096 0.005 . 2 . . . . . 182 ARG HB3 . 25512 1 538 . 2 2 33 33 ARG HG2 H 1 1.764 0.004 . 2 . . . . . 182 ARG HG2 . 25512 1 539 . 2 2 33 33 ARG HG3 H 1 1.947 0.011 . 2 . . . . . 182 ARG HG3 . 25512 1 540 . 2 2 33 33 ARG HD2 H 1 3.323 0.005 . 2 . . . . . 182 ARG HD2 . 25512 1 541 . 2 2 33 33 ARG HD3 H 1 3.244 0.003 . 2 . . . . . 182 ARG HD3 . 25512 1 542 . 2 2 33 33 ARG HE H 1 7.255 0.001 . 1 . . . . . 182 ARG HE . 25512 1 543 . 2 2 33 33 ARG C C 13 174.670 0.000 . 1 . . . . . 182 ARG C . 25512 1 544 . 2 2 33 33 ARG CA C 13 56.040 0.031 . 1 . . . . . 182 ARG CA . 25512 1 545 . 2 2 33 33 ARG CB C 13 33.947 0.048 . 1 . . . . . 182 ARG CB . 25512 1 546 . 2 2 33 33 ARG CG C 13 27.144 0.075 . 1 . . . . . 182 ARG CG . 25512 1 547 . 2 2 33 33 ARG CD C 13 43.727 0.028 . 1 . . . . . 182 ARG CD . 25512 1 548 . 2 2 33 33 ARG CZ C 13 159.650 0.000 . 1 . . . . . 182 ARG CZ . 25512 1 549 . 2 2 33 33 ARG N N 15 118.774 0.031 . 1 . . . . . 182 ARG N . 25512 1 550 . 2 2 33 33 ARG NE N 15 84.054 0.005 . 1 . . . . . 182 ARG NE . 25512 1 551 . 2 2 34 34 VAL H H 1 8.499 0.003 . 1 . . . . . 183 VAL H . 25512 1 552 . 2 2 34 34 VAL HA H 1 5.111 0.002 . 1 . . . . . 183 VAL HA . 25512 1 553 . 2 2 34 34 VAL HB H 1 1.459 0.001 . 1 . . . . . 183 VAL HB . 25512 1 554 . 2 2 34 34 VAL HG11 H 1 0.901 0.001 . 2 . . . . . 183 VAL QG1 . 25512 1 555 . 2 2 34 34 VAL HG12 H 1 0.901 0.001 . 2 . . . . . 183 VAL QG1 . 25512 1 556 . 2 2 34 34 VAL HG13 H 1 0.901 0.001 . 2 . . . . . 183 VAL QG1 . 25512 1 557 . 2 2 34 34 VAL HG21 H 1 -0.042 0.002 . 2 . . . . . 183 VAL QG2 . 25512 1 558 . 2 2 34 34 VAL HG22 H 1 -0.042 0.002 . 2 . . . . . 183 VAL QG2 . 25512 1 559 . 2 2 34 34 VAL HG23 H 1 -0.042 0.002 . 2 . . . . . 183 VAL QG2 . 25512 1 560 . 2 2 34 34 VAL C C 13 173.095 0.000 . 1 . . . . . 183 VAL C . 25512 1 561 . 2 2 34 34 VAL CA C 13 61.254 0.038 . 1 . . . . . 183 VAL CA . 25512 1 562 . 2 2 34 34 VAL CB C 13 36.105 0.033 . 1 . . . . . 183 VAL CB . 25512 1 563 . 2 2 34 34 VAL CG1 C 13 23.950 0.023 . 2 . . . . . 183 VAL CG1 . 25512 1 564 . 2 2 34 34 VAL CG2 C 13 20.189 0.031 . 2 . . . . . 183 VAL CG2 . 25512 1 565 . 2 2 34 34 VAL N N 15 124.994 0.022 . 1 . . . . . 183 VAL N . 25512 1 566 . 2 2 35 35 TYR H H 1 8.263 0.006 . 1 . . . . . 184 TYR H . 25512 1 567 . 2 2 35 35 TYR HA H 1 5.444 0.002 . 1 . . . . . 184 TYR HA . 25512 1 568 . 2 2 35 35 TYR HB2 H 1 2.336 0.003 . 2 . . . . . 184 TYR HB2 . 25512 1 569 . 2 2 35 35 TYR HB3 H 1 2.996 0.002 . 2 . . . . . 184 TYR HB3 . 25512 1 570 . 2 2 35 35 TYR HD1 H 1 6.415 0.002 . 3 . . . . . 184 TYR QD . 25512 1 571 . 2 2 35 35 TYR HD2 H 1 6.415 0.002 . 3 . . . . . 184 TYR QD . 25512 1 572 . 2 2 35 35 TYR HE1 H 1 5.960 0.002 . 3 . . . . . 184 TYR QE . 25512 1 573 . 2 2 35 35 TYR HE2 H 1 5.960 0.002 . 3 . . . . . 184 TYR QE . 25512 1 574 . 2 2 35 35 TYR C C 13 172.618 0.000 . 1 . . . . . 184 TYR C . 25512 1 575 . 2 2 35 35 TYR CA C 13 56.046 0.021 . 1 . . . . . 184 TYR CA . 25512 1 576 . 2 2 35 35 TYR CB C 13 40.446 0.035 . 1 . . . . . 184 TYR CB . 25512 1 577 . 2 2 35 35 TYR CD1 C 13 132.819 0.016 . 1 . . . . . 184 TYR CD1 . 25512 1 578 . 2 2 35 35 TYR CD2 C 13 132.819 0.016 . 1 . . . . . 184 TYR CD2 . 25512 1 579 . 2 2 35 35 TYR CE1 C 13 117.812 0.036 . 1 . . . . . 184 TYR CE1 . 25512 1 580 . 2 2 35 35 TYR CE2 C 13 117.812 0.036 . 1 . . . . . 184 TYR CE2 . 25512 1 581 . 2 2 35 35 TYR N N 15 120.708 0.028 . 1 . . . . . 184 TYR N . 25512 1 582 . 2 2 36 36 ASP H H 1 9.264 0.004 . 1 . . . . . 185 ASP H . 25512 1 583 . 2 2 36 36 ASP HA H 1 5.916 0.003 . 1 . . . . . 185 ASP HA . 25512 1 584 . 2 2 36 36 ASP HB2 H 1 3.259 0.004 . 2 . . . . . 185 ASP HB2 . 25512 1 585 . 2 2 36 36 ASP HB3 H 1 2.822 0.002 . 2 . . . . . 185 ASP HB3 . 25512 1 586 . 2 2 36 36 ASP C C 13 174.730 0.000 . 1 . . . . . 185 ASP C . 25512 1 587 . 2 2 36 36 ASP CA C 13 53.569 0.016 . 1 . . . . . 185 ASP CA . 25512 1 588 . 2 2 36 36 ASP CB C 13 47.370 0.031 . 1 . . . . . 185 ASP CB . 25512 1 589 . 2 2 36 36 ASP N N 15 116.333 0.014 . 1 . . . . . 185 ASP N . 25512 1 590 . 2 2 37 37 ASP H H 1 8.742 0.002 . 1 . . . . . 186 ASP H . 25512 1 591 . 2 2 37 37 ASP HA H 1 5.376 0.001 . 1 . . . . . 186 ASP HA . 25512 1 592 . 2 2 37 37 ASP HB2 H 1 2.633 0.006 . 2 . . . . . 186 ASP HB2 . 25512 1 593 . 2 2 37 37 ASP HB3 H 1 3.433 0.002 . 2 . . . . . 186 ASP HB3 . 25512 1 594 . 2 2 37 37 ASP C C 13 178.187 0.000 . 1 . . . . . 186 ASP C . 25512 1 595 . 2 2 37 37 ASP CA C 13 52.265 0.017 . 1 . . . . . 186 ASP CA . 25512 1 596 . 2 2 37 37 ASP CB C 13 43.220 0.022 . 1 . . . . . 186 ASP CB . 25512 1 597 . 2 2 37 37 ASP N N 15 119.934 0.029 . 1 . . . . . 186 ASP N . 25512 1 598 . 2 2 38 38 GLY H H 1 9.602 0.004 . 1 . . . . . 187 GLY H . 25512 1 599 . 2 2 38 38 GLY HA2 H 1 3.461 0.005 . 2 . . . . . 187 GLY HA2 . 25512 1 600 . 2 2 38 38 GLY HA3 H 1 4.375 0.004 . 2 . . . . . 187 GLY HA3 . 25512 1 601 . 2 2 38 38 GLY C C 13 173.308 0.000 . 1 . . . . . 187 GLY C . 25512 1 602 . 2 2 38 38 GLY CA C 13 45.500 0.032 . 1 . . . . . 187 GLY CA . 25512 1 603 . 2 2 38 38 GLY N N 15 110.825 0.017 . 1 . . . . . 187 GLY N . 25512 1 604 . 2 2 39 39 LYS H H 1 8.399 0.002 . 1 . . . . . 188 LYS H . 25512 1 605 . 2 2 39 39 LYS HA H 1 4.277 0.002 . 1 . . . . . 188 LYS HA . 25512 1 606 . 2 2 39 39 LYS HB2 H 1 1.583 0.003 . 2 . . . . . 188 LYS HB2 . 25512 1 607 . 2 2 39 39 LYS HB3 H 1 1.441 0.004 . 2 . . . . . 188 LYS HB3 . 25512 1 608 . 2 2 39 39 LYS HG2 H 1 1.173 0.005 . 2 . . . . . 188 LYS HG2 . 25512 1 609 . 2 2 39 39 LYS HG3 H 1 0.941 0.004 . 2 . . . . . 188 LYS HG3 . 25512 1 610 . 2 2 39 39 LYS HD2 H 1 1.495 0.002 . 1 . . . . . 188 LYS HD2 . 25512 1 611 . 2 2 39 39 LYS HD3 H 1 1.495 0.002 . 1 . . . . . 188 LYS HD3 . 25512 1 612 . 2 2 39 39 LYS HE2 H 1 2.804 0.007 . 2 . . . . . 188 LYS HE2 . 25512 1 613 . 2 2 39 39 LYS HE3 H 1 2.799 0.004 . 2 . . . . . 188 LYS HE3 . 25512 1 614 . 2 2 39 39 LYS C C 13 174.702 0.000 . 1 . . . . . 188 LYS C . 25512 1 615 . 2 2 39 39 LYS CA C 13 57.699 0.058 . 1 . . . . . 188 LYS CA . 25512 1 616 . 2 2 39 39 LYS CB C 13 35.006 0.031 . 1 . . . . . 188 LYS CB . 25512 1 617 . 2 2 39 39 LYS CG C 13 24.767 0.044 . 1 . . . . . 188 LYS CG . 25512 1 618 . 2 2 39 39 LYS CD C 13 28.894 0.042 . 1 . . . . . 188 LYS CD . 25512 1 619 . 2 2 39 39 LYS CE C 13 42.120 0.040 . 1 . . . . . 188 LYS CE . 25512 1 620 . 2 2 39 39 LYS N N 15 121.896 0.018 . 1 . . . . . 188 LYS N . 25512 1 621 . 2 2 40 40 PHE H H 1 9.557 0.002 . 1 . . . . . 189 PHE H . 25512 1 622 . 2 2 40 40 PHE HA H 1 5.113 0.002 . 1 . . . . . 189 PHE HA . 25512 1 623 . 2 2 40 40 PHE HB2 H 1 2.446 0.003 . 2 . . . . . 189 PHE HB2 . 25512 1 624 . 2 2 40 40 PHE HB3 H 1 2.672 0.003 . 2 . . . . . 189 PHE HB3 . 25512 1 625 . 2 2 40 40 PHE HD1 H 1 7.174 0.001 . 3 . . . . . 189 PHE QD . 25512 1 626 . 2 2 40 40 PHE HD2 H 1 7.174 0.001 . 3 . . . . . 189 PHE QD . 25512 1 627 . 2 2 40 40 PHE C C 13 174.563 0.000 . 1 . . . . . 189 PHE C . 25512 1 628 . 2 2 40 40 PHE CA C 13 54.208 0.025 . 1 . . . . . 189 PHE CA . 25512 1 629 . 2 2 40 40 PHE CB C 13 41.036 0.034 . 1 . . . . . 189 PHE CB . 25512 1 630 . 2 2 40 40 PHE N N 15 119.809 0.021 . 1 . . . . . 189 PHE N . 25512 1 631 . 2 2 41 41 THR H H 1 8.635 0.005 . 1 . . . . . 190 THR H . 25512 1 632 . 2 2 41 41 THR HA H 1 4.465 0.003 . 1 . . . . . 190 THR HA . 25512 1 633 . 2 2 41 41 THR HB H 1 3.815 0.005 . 1 . . . . . 190 THR HB . 25512 1 634 . 2 2 41 41 THR HG21 H 1 0.951 0.003 . 1 . . . . . 190 THR QG2 . 25512 1 635 . 2 2 41 41 THR HG22 H 1 0.951 0.003 . 1 . . . . . 190 THR QG2 . 25512 1 636 . 2 2 41 41 THR HG23 H 1 0.951 0.003 . 1 . . . . . 190 THR QG2 . 25512 1 637 . 2 2 41 41 THR C C 13 171.381 0.000 . 1 . . . . . 190 THR C . 25512 1 638 . 2 2 41 41 THR CA C 13 62.361 0.071 . 1 . . . . . 190 THR CA . 25512 1 639 . 2 2 41 41 THR CB C 13 69.993 0.043 . 1 . . . . . 190 THR CB . 25512 1 640 . 2 2 41 41 THR CG2 C 13 20.172 0.086 . 1 . . . . . 190 THR CG2 . 25512 1 641 . 2 2 41 41 THR N N 15 114.435 0.010 . 1 . . . . . 190 THR N . 25512 1 642 . 2 2 42 42 TYR H H 1 9.192 0.003 . 1 . . . . . 191 TYR H . 25512 1 643 . 2 2 42 42 TYR HA H 1 4.586 0.003 . 1 . . . . . 191 TYR HA . 25512 1 644 . 2 2 42 42 TYR HB2 H 1 1.464 0.002 . 2 . . . . . 191 TYR HB2 . 25512 1 645 . 2 2 42 42 TYR HB3 H 1 2.113 0.002 . 2 . . . . . 191 TYR HB3 . 25512 1 646 . 2 2 42 42 TYR HD1 H 1 6.576 0.003 . 3 . . . . . 191 TYR QD . 25512 1 647 . 2 2 42 42 TYR HD2 H 1 6.576 0.003 . 3 . . . . . 191 TYR QD . 25512 1 648 . 2 2 42 42 TYR HE1 H 1 6.531 0.002 . 3 . . . . . 191 TYR QE . 25512 1 649 . 2 2 42 42 TYR HE2 H 1 6.531 0.002 . 3 . . . . . 191 TYR QE . 25512 1 650 . 2 2 42 42 TYR C C 13 174.236 0.000 . 1 . . . . . 191 TYR C . 25512 1 651 . 2 2 42 42 TYR CA C 13 56.810 0.026 . 1 . . . . . 191 TYR CA . 25512 1 652 . 2 2 42 42 TYR CB C 13 38.662 0.038 . 1 . . . . . 191 TYR CB . 25512 1 653 . 2 2 42 42 TYR CD1 C 13 134.268 0.059 . 1 . . . . . 191 TYR CD1 . 25512 1 654 . 2 2 42 42 TYR CD2 C 13 134.268 0.059 . 1 . . . . . 191 TYR CD2 . 25512 1 655 . 2 2 42 42 TYR CE1 C 13 116.682 0.033 . 1 . . . . . 191 TYR CE1 . 25512 1 656 . 2 2 42 42 TYR CE2 C 13 116.682 0.033 . 1 . . . . . 191 TYR CE2 . 25512 1 657 . 2 2 42 42 TYR N N 15 126.395 0.019 . 1 . . . . . 191 TYR N . 25512 1 658 . 2 2 43 43 ILE H H 1 8.967 0.002 . 1 . . . . . 192 ILE H . 25512 1 659 . 2 2 43 43 ILE HA H 1 4.499 0.003 . 1 . . . . . 192 ILE HA . 25512 1 660 . 2 2 43 43 ILE HB H 1 1.993 0.002 . 1 . . . . . 192 ILE HB . 25512 1 661 . 2 2 43 43 ILE HG12 H 1 0.701 0.002 . 2 . . . . . 192 ILE HG12 . 25512 1 662 . 2 2 43 43 ILE HG13 H 1 1.458 0.004 . 2 . . . . . 192 ILE HG13 . 25512 1 663 . 2 2 43 43 ILE HG21 H 1 0.771 0.002 . 1 . . . . . 192 ILE QG2 . 25512 1 664 . 2 2 43 43 ILE HG22 H 1 0.771 0.002 . 1 . . . . . 192 ILE QG2 . 25512 1 665 . 2 2 43 43 ILE HG23 H 1 0.771 0.002 . 1 . . . . . 192 ILE QG2 . 25512 1 666 . 2 2 43 43 ILE HD11 H 1 0.632 0.003 . 1 . . . . . 192 ILE QD1 . 25512 1 667 . 2 2 43 43 ILE HD12 H 1 0.632 0.003 . 1 . . . . . 192 ILE QD1 . 25512 1 668 . 2 2 43 43 ILE HD13 H 1 0.632 0.003 . 1 . . . . . 192 ILE QD1 . 25512 1 669 . 2 2 43 43 ILE C C 13 174.734 0.000 . 1 . . . . . 192 ILE C . 25512 1 670 . 2 2 43 43 ILE CA C 13 60.337 0.022 . 1 . . . . . 192 ILE CA . 25512 1 671 . 2 2 43 43 ILE CB C 13 40.211 0.025 . 1 . . . . . 192 ILE CB . 25512 1 672 . 2 2 43 43 ILE CG1 C 13 27.026 0.043 . 1 . . . . . 192 ILE CG1 . 25512 1 673 . 2 2 43 43 ILE CG2 C 13 18.105 0.035 . 1 . . . . . 192 ILE CG2 . 25512 1 674 . 2 2 43 43 ILE CD1 C 13 14.124 0.035 . 1 . . . . . 192 ILE CD1 . 25512 1 675 . 2 2 43 43 ILE N N 15 122.349 0.018 . 1 . . . . . 192 ILE N . 25512 1 676 . 2 2 44 44 ASN H H 1 8.965 0.002 . 1 . . . . . 193 ASN H . 25512 1 677 . 2 2 44 44 ASN HA H 1 5.505 0.002 . 1 . . . . . 193 ASN HA . 25512 1 678 . 2 2 44 44 ASN HB2 H 1 2.850 0.004 . 2 . . . . . 193 ASN HB2 . 25512 1 679 . 2 2 44 44 ASN HB3 H 1 2.897 0.005 . 2 . . . . . 193 ASN HB3 . 25512 1 680 . 2 2 44 44 ASN HD21 H 1 6.882 0.000 . 2 . . . . . 193 ASN HD21 . 25512 1 681 . 2 2 44 44 ASN HD22 H 1 7.101 0.000 . 2 . . . . . 193 ASN HD22 . 25512 1 682 . 2 2 44 44 ASN C C 13 173.998 0.000 . 1 . . . . . 193 ASN C . 25512 1 683 . 2 2 44 44 ASN CA C 13 53.275 0.020 . 1 . . . . . 193 ASN CA . 25512 1 684 . 2 2 44 44 ASN CB C 13 40.446 0.045 . 1 . . . . . 193 ASN CB . 25512 1 685 . 2 2 44 44 ASN CG C 13 176.337 0.010 . 1 . . . . . 193 ASN CG . 25512 1 686 . 2 2 44 44 ASN N N 15 126.647 0.012 . 1 . . . . . 193 ASN N . 25512 1 687 . 2 2 44 44 ASN ND2 N 15 109.923 0.000 . 1 . . . . . 193 ASN ND2 . 25512 1 688 . 2 2 45 45 MET H H 1 8.516 0.002 . 1 . . . . . 194 MET H . 25512 1 689 . 2 2 45 45 MET HA H 1 4.878 0.002 . 1 . . . . . 194 MET HA . 25512 1 690 . 2 2 45 45 MET HB2 H 1 1.888 0.004 . 2 . . . . . 194 MET HB2 . 25512 1 691 . 2 2 45 45 MET HB3 H 1 2.120 0.002 . 2 . . . . . 194 MET HB3 . 25512 1 692 . 2 2 45 45 MET HG2 H 1 2.283 0.002 . 1 . . . . . 194 MET HG2 . 25512 1 693 . 2 2 45 45 MET HG3 H 1 2.283 0.002 . 1 . . . . . 194 MET HG3 . 25512 1 694 . 2 2 45 45 MET C C 13 173.741 0.000 . 1 . . . . . 194 MET C . 25512 1 695 . 2 2 45 45 MET CA C 13 54.422 0.013 . 1 . . . . . 194 MET CA . 25512 1 696 . 2 2 45 45 MET CB C 13 36.859 0.036 . 1 . . . . . 194 MET CB . 25512 1 697 . 2 2 45 45 MET CG C 13 31.635 0.028 . 1 . . . . . 194 MET CG . 25512 1 698 . 2 2 45 45 MET N N 15 122.186 0.011 . 1 . . . . . 194 MET N . 25512 1 699 . 2 2 46 46 ASP H H 1 8.369 0.002 . 1 . . . . . 195 ASP H . 25512 1 700 . 2 2 46 46 ASP HA H 1 4.756 0.011 . 1 . . . . . 195 ASP HA . 25512 1 701 . 2 2 46 46 ASP HB2 H 1 2.994 0.005 . 2 . . . . . 195 ASP HB2 . 25512 1 702 . 2 2 46 46 ASP HB3 H 1 2.624 0.011 . 2 . . . . . 195 ASP HB3 . 25512 1 703 . 2 2 46 46 ASP C C 13 177.061 0.000 . 1 . . . . . 195 ASP C . 25512 1 704 . 2 2 46 46 ASP CA C 13 53.352 0.034 . 1 . . . . . 195 ASP CA . 25512 1 705 . 2 2 46 46 ASP CB C 13 39.606 0.051 . 1 . . . . . 195 ASP CB . 25512 1 706 . 2 2 46 46 ASP N N 15 118.293 0.054 . 1 . . . . . 195 ASP N . 25512 1 707 . 2 2 47 47 LEU H H 1 8.213 0.011 . 1 . . . . . 196 LEU H . 25512 1 708 . 2 2 47 47 LEU HA H 1 4.452 0.003 . 1 . . . . . 196 LEU HA . 25512 1 709 . 2 2 47 47 LEU HB2 H 1 1.956 0.004 . 2 . . . . . 196 LEU HB2 . 25512 1 710 . 2 2 47 47 LEU HB3 H 1 1.708 0.003 . 2 . . . . . 196 LEU HB3 . 25512 1 711 . 2 2 47 47 LEU HG H 1 1.713 0.002 . 1 . . . . . 196 LEU HG . 25512 1 712 . 2 2 47 47 LEU HD11 H 1 0.618 0.004 . 2 . . . . . 196 LEU QD1 . 25512 1 713 . 2 2 47 47 LEU HD12 H 1 0.618 0.004 . 2 . . . . . 196 LEU QD1 . 25512 1 714 . 2 2 47 47 LEU HD13 H 1 0.618 0.004 . 2 . . . . . 196 LEU QD1 . 25512 1 715 . 2 2 47 47 LEU HD21 H 1 0.788 0.003 . 2 . . . . . 196 LEU QD2 . 25512 1 716 . 2 2 47 47 LEU HD22 H 1 0.788 0.003 . 2 . . . . . 196 LEU QD2 . 25512 1 717 . 2 2 47 47 LEU HD23 H 1 0.788 0.003 . 2 . . . . . 196 LEU QD2 . 25512 1 718 . 2 2 47 47 LEU C C 13 178.855 0.000 . 1 . . . . . 196 LEU C . 25512 1 719 . 2 2 47 47 LEU CA C 13 55.968 0.022 . 1 . . . . . 196 LEU CA . 25512 1 720 . 2 2 47 47 LEU CB C 13 40.284 0.035 . 1 . . . . . 196 LEU CB . 25512 1 721 . 2 2 47 47 LEU CG C 13 26.849 0.032 . 1 . . . . . 196 LEU CG . 25512 1 722 . 2 2 47 47 LEU CD1 C 13 23.336 0.042 . 2 . . . . . 196 LEU CD1 . 25512 1 723 . 2 2 47 47 LEU CD2 C 13 25.611 0.066 . 2 . . . . . 196 LEU CD2 . 25512 1 724 . 2 2 47 47 LEU N N 15 124.620 0.112 . 1 . . . . . 196 LEU N . 25512 1 725 . 2 2 48 48 THR H H 1 8.264 0.002 . 1 . . . . . 197 THR H . 25512 1 726 . 2 2 48 48 THR HA H 1 4.232 0.010 . 1 . . . . . 197 THR HA . 25512 1 727 . 2 2 48 48 THR HB H 1 4.249 0.012 . 1 . . . . . 197 THR HB . 25512 1 728 . 2 2 48 48 THR HG21 H 1 1.369 0.003 . 1 . . . . . 197 THR QG2 . 25512 1 729 . 2 2 48 48 THR HG22 H 1 1.369 0.003 . 1 . . . . . 197 THR QG2 . 25512 1 730 . 2 2 48 48 THR HG23 H 1 1.369 0.003 . 1 . . . . . 197 THR QG2 . 25512 1 731 . 2 2 48 48 THR C C 13 175.789 0.000 . 1 . . . . . 197 THR C . 25512 1 732 . 2 2 48 48 THR CA C 13 64.324 0.020 . 1 . . . . . 197 THR CA . 25512 1 733 . 2 2 48 48 THR CB C 13 69.096 0.059 . 1 . . . . . 197 THR CB . 25512 1 734 . 2 2 48 48 THR CG2 C 13 21.752 0.022 . 1 . . . . . 197 THR CG2 . 25512 1 735 . 2 2 48 48 THR N N 15 111.428 0.115 . 1 . . . . . 197 THR N . 25512 1 736 . 2 2 49 49 ARG H H 1 6.913 0.002 . 1 . . . . . 198 ARG H . 25512 1 737 . 2 2 49 49 ARG HA H 1 3.874 0.003 . 1 . . . . . 198 ARG HA . 25512 1 738 . 2 2 49 49 ARG HB2 H 1 0.979 0.002 . 2 . . . . . 198 ARG HB2 . 25512 1 739 . 2 2 49 49 ARG HB3 H 1 0.981 0.004 . 2 . . . . . 198 ARG HB3 . 25512 1 740 . 2 2 49 49 ARG HG2 H 1 0.970 0.004 . 2 . . . . . 198 ARG HG2 . 25512 1 741 . 2 2 49 49 ARG HG3 H 1 1.071 0.004 . 2 . . . . . 198 ARG HG3 . 25512 1 742 . 2 2 49 49 ARG HD2 H 1 2.440 0.003 . 2 . . . . . 198 ARG HD2 . 25512 1 743 . 2 2 49 49 ARG HD3 H 1 2.253 0.003 . 2 . . . . . 198 ARG HD3 . 25512 1 744 . 2 2 49 49 ARG HE H 1 6.541 0.007 . 1 . . . . . 198 ARG HE . 25512 1 745 . 2 2 49 49 ARG C C 13 174.823 0.000 . 1 . . . . . 198 ARG C . 25512 1 746 . 2 2 49 49 ARG CA C 13 55.103 0.027 . 1 . . . . . 198 ARG CA . 25512 1 747 . 2 2 49 49 ARG CB C 13 29.516 0.032 . 1 . . . . . 198 ARG CB . 25512 1 748 . 2 2 49 49 ARG CG C 13 26.279 0.032 . 1 . . . . . 198 ARG CG . 25512 1 749 . 2 2 49 49 ARG CD C 13 42.316 0.034 . 1 . . . . . 198 ARG CD . 25512 1 750 . 2 2 49 49 ARG N N 15 117.071 0.011 . 1 . . . . . 198 ARG N . 25512 1 751 . 2 2 49 49 ARG NE N 15 84.199 0.014 . 1 . . . . . 198 ARG NE . 25512 1 752 . 2 2 50 50 PHE H H 1 7.187 0.003 . 1 . . . . . 199 PHE H . 25512 1 753 . 2 2 50 50 PHE HA H 1 4.639 0.002 . 1 . . . . . 199 PHE HA . 25512 1 754 . 2 2 50 50 PHE HB2 H 1 2.822 0.003 . 2 . . . . . 199 PHE HB2 . 25512 1 755 . 2 2 50 50 PHE HB3 H 1 2.964 0.004 . 2 . . . . . 199 PHE HB3 . 25512 1 756 . 2 2 50 50 PHE HD1 H 1 7.070 0.002 . 3 . . . . . 199 PHE QD . 25512 1 757 . 2 2 50 50 PHE HD2 H 1 7.070 0.002 . 3 . . . . . 199 PHE QD . 25512 1 758 . 2 2 50 50 PHE HE1 H 1 6.885 0.010 . 3 . . . . . 199 PHE QE . 25512 1 759 . 2 2 50 50 PHE HE2 H 1 6.885 0.010 . 3 . . . . . 199 PHE QE . 25512 1 760 . 2 2 50 50 PHE HZ H 1 6.955 0.002 . 1 . . . . . 199 PHE HZ . 25512 1 761 . 2 2 50 50 PHE CA C 13 55.271 0.000 . 1 . . . . . 199 PHE CA . 25512 1 762 . 2 2 50 50 PHE CB C 13 38.965 0.008 . 1 . . . . . 199 PHE CB . 25512 1 763 . 2 2 50 50 PHE CD1 C 13 132.351 0.097 . 1 . . . . . 199 PHE CD1 . 25512 1 764 . 2 2 50 50 PHE CD2 C 13 132.351 0.097 . 1 . . . . . 199 PHE CD2 . 25512 1 765 . 2 2 50 50 PHE CE1 C 13 130.757 0.067 . 1 . . . . . 199 PHE CE1 . 25512 1 766 . 2 2 50 50 PHE CE2 C 13 130.757 0.067 . 1 . . . . . 199 PHE CE2 . 25512 1 767 . 2 2 50 50 PHE CZ C 13 129.028 0.036 . 1 . . . . . 199 PHE CZ . 25512 1 768 . 2 2 50 50 PHE N N 15 118.573 0.028 . 1 . . . . . 199 PHE N . 25512 1 769 . 2 2 51 51 PRO HA H 1 4.503 0.004 . 1 . . . . . 200 PRO HA . 25512 1 770 . 2 2 51 51 PRO HB2 H 1 2.348 0.002 . 2 . . . . . 200 PRO HB2 . 25512 1 771 . 2 2 51 51 PRO HB3 H 1 1.942 0.004 . 2 . . . . . 200 PRO HB3 . 25512 1 772 . 2 2 51 51 PRO HG2 H 1 2.040 0.005 . 1 . . . . . 200 PRO HG2 . 25512 1 773 . 2 2 51 51 PRO HG3 H 1 2.040 0.002 . 1 . . . . . 200 PRO HG3 . 25512 1 774 . 2 2 51 51 PRO HD2 H 1 3.613 0.009 . 2 . . . . . 200 PRO HD2 . 25512 1 775 . 2 2 51 51 PRO HD3 H 1 3.594 0.008 . 2 . . . . . 200 PRO HD3 . 25512 1 776 . 2 2 51 51 PRO C C 13 177.145 0.000 . 1 . . . . . 200 PRO C . 25512 1 777 . 2 2 51 51 PRO CA C 13 63.112 0.062 . 1 . . . . . 200 PRO CA . 25512 1 778 . 2 2 51 51 PRO CB C 13 31.940 0.068 . 1 . . . . . 200 PRO CB . 25512 1 779 . 2 2 51 51 PRO CG C 13 27.505 0.046 . 1 . . . . . 200 PRO CG . 25512 1 780 . 2 2 51 51 PRO CD C 13 50.525 0.041 . 1 . . . . . 200 PRO CD . 25512 1 781 . 2 2 52 52 THR H H 1 8.125 0.002 . 1 . . . . . 201 THR H . 25512 1 782 . 2 2 52 52 THR HA H 1 4.064 0.005 . 1 . . . . . 201 THR HA . 25512 1 783 . 2 2 52 52 THR HB H 1 4.182 0.001 . 1 . . . . . 201 THR HB . 25512 1 784 . 2 2 52 52 THR HG21 H 1 1.243 0.001 . 1 . . . . . 201 THR QG2 . 25512 1 785 . 2 2 52 52 THR HG22 H 1 1.243 0.001 . 1 . . . . . 201 THR QG2 . 25512 1 786 . 2 2 52 52 THR HG23 H 1 1.243 0.001 . 1 . . . . . 201 THR QG2 . 25512 1 787 . 2 2 52 52 THR C C 13 175.612 0.000 . 1 . . . . . 201 THR C . 25512 1 788 . 2 2 52 52 THR CA C 13 63.453 0.024 . 1 . . . . . 201 THR CA . 25512 1 789 . 2 2 52 52 THR CB C 13 69.134 0.060 . 1 . . . . . 201 THR CB . 25512 1 790 . 2 2 52 52 THR CG2 C 13 21.697 0.024 . 1 . . . . . 201 THR CG2 . 25512 1 791 . 2 2 52 52 THR N N 15 113.979 0.014 . 1 . . . . . 201 THR N . 25512 1 792 . 2 2 53 53 GLY H H 1 8.273 0.002 . 1 . . . . . 202 GLY H . 25512 1 793 . 2 2 53 53 GLY HA2 H 1 3.540 0.004 . 2 . . . . . 202 GLY HA2 . 25512 1 794 . 2 2 53 53 GLY HA3 H 1 4.073 0.006 . 2 . . . . . 202 GLY HA3 . 25512 1 795 . 2 2 53 53 GLY C C 13 173.707 0.000 . 1 . . . . . 202 GLY C . 25512 1 796 . 2 2 53 53 GLY CA C 13 45.410 0.018 . 1 . . . . . 202 GLY CA . 25512 1 797 . 2 2 53 53 GLY N N 15 111.769 0.025 . 1 . . . . . 202 GLY N . 25512 1 798 . 2 2 54 54 ASN H H 1 8.174 0.003 . 1 . . . . . 203 ASN H . 25512 1 799 . 2 2 54 54 ASN HA H 1 4.949 0.002 . 1 . . . . . 203 ASN HA . 25512 1 800 . 2 2 54 54 ASN HB2 H 1 2.820 0.003 . 2 . . . . . 203 ASN HB2 . 25512 1 801 . 2 2 54 54 ASN HB3 H 1 2.670 0.002 . 2 . . . . . 203 ASN HB3 . 25512 1 802 . 2 2 54 54 ASN HD21 H 1 6.965 0.001 . 2 . . . . . 203 ASN HD21 . 25512 1 803 . 2 2 54 54 ASN HD22 H 1 7.362 0.005 . 2 . . . . . 203 ASN HD22 . 25512 1 804 . 2 2 54 54 ASN C C 13 173.576 0.000 . 1 . . . . . 203 ASN C . 25512 1 805 . 2 2 54 54 ASN CA C 13 52.108 0.041 . 1 . . . . . 203 ASN CA . 25512 1 806 . 2 2 54 54 ASN CB C 13 38.862 0.031 . 1 . . . . . 203 ASN CB . 25512 1 807 . 2 2 54 54 ASN CG C 13 177.809 0.007 . 1 . . . . . 203 ASN CG . 25512 1 808 . 2 2 54 54 ASN N N 15 119.836 0.012 . 1 . . . . . 203 ASN N . 25512 1 809 . 2 2 54 54 ASN ND2 N 15 110.892 0.024 . 1 . . . . . 203 ASN ND2 . 25512 1 810 . 2 2 55 55 PHE H H 1 7.846 0.002 . 1 . . . . . 204 PHE H . 25512 1 811 . 2 2 55 55 PHE HA H 1 4.326 0.003 . 1 . . . . . 204 PHE HA . 25512 1 812 . 2 2 55 55 PHE HB2 H 1 2.870 0.004 . 2 . . . . . 204 PHE HB2 . 25512 1 813 . 2 2 55 55 PHE HB3 H 1 2.974 0.005 . 2 . . . . . 204 PHE HB3 . 25512 1 814 . 2 2 55 55 PHE HD1 H 1 7.221 0.005 . 3 . . . . . 204 PHE QD . 25512 1 815 . 2 2 55 55 PHE HD2 H 1 7.221 0.005 . 3 . . . . . 204 PHE QD . 25512 1 816 . 2 2 55 55 PHE HE1 H 1 7.482 0.007 . 3 . . . . . 204 PHE QE . 25512 1 817 . 2 2 55 55 PHE HE2 H 1 7.482 0.007 . 3 . . . . . 204 PHE QE . 25512 1 818 . 2 2 55 55 PHE CA C 13 55.720 0.036 . 1 . . . . . 204 PHE CA . 25512 1 819 . 2 2 55 55 PHE CB C 13 37.860 0.022 . 1 . . . . . 204 PHE CB . 25512 1 820 . 2 2 55 55 PHE CD1 C 13 130.515 0.003 . 1 . . . . . 204 PHE CD1 . 25512 1 821 . 2 2 55 55 PHE CD2 C 13 130.515 0.003 . 1 . . . . . 204 PHE CD2 . 25512 1 822 . 2 2 55 55 PHE CE1 C 13 131.335 0.000 . 1 . . . . . 204 PHE CE1 . 25512 1 823 . 2 2 55 55 PHE CE2 C 13 131.335 0.000 . 1 . . . . . 204 PHE CE2 . 25512 1 824 . 2 2 55 55 PHE N N 15 119.146 0.016 . 1 . . . . . 204 PHE N . 25512 1 825 . 2 2 56 56 PRO HA H 1 4.623 0.003 . 1 . . . . . 205 PRO HA . 25512 1 826 . 2 2 56 56 PRO HB2 H 1 1.546 0.004 . 2 . . . . . 205 PRO HB2 . 25512 1 827 . 2 2 56 56 PRO HB3 H 1 1.926 0.002 . 2 . . . . . 205 PRO HB3 . 25512 1 828 . 2 2 56 56 PRO HG2 H 1 1.618 0.003 . 2 . . . . . 205 PRO HG2 . 25512 1 829 . 2 2 56 56 PRO HG3 H 1 1.254 0.004 . 2 . . . . . 205 PRO HG3 . 25512 1 830 . 2 2 56 56 PRO HD2 H 1 2.919 0.005 . 2 . . . . . 205 PRO HD2 . 25512 1 831 . 2 2 56 56 PRO HD3 H 1 2.427 0.005 . 2 . . . . . 205 PRO HD3 . 25512 1 832 . 2 2 56 56 PRO CA C 13 63.405 0.038 . 1 . . . . . 205 PRO CA . 25512 1 833 . 2 2 56 56 PRO CB C 13 32.318 0.052 . 1 . . . . . 205 PRO CB . 25512 1 834 . 2 2 56 56 PRO CG C 13 27.710 0.045 . 1 . . . . . 205 PRO CG . 25512 1 835 . 2 2 56 56 PRO CD C 13 49.789 0.051 . 1 . . . . . 205 PRO CD . 25512 1 836 . 2 2 57 57 ALA H H 1 8.536 0.004 . 1 . . . . . 206 ALA H . 25512 1 837 . 2 2 57 57 ALA HA H 1 4.533 0.003 . 1 . . . . . 206 ALA HA . 25512 1 838 . 2 2 57 57 ALA HB1 H 1 1.427 0.001 . 1 . . . . . 206 ALA QB . 25512 1 839 . 2 2 57 57 ALA HB2 H 1 1.427 0.001 . 1 . . . . . 206 ALA QB . 25512 1 840 . 2 2 57 57 ALA HB3 H 1 1.427 0.001 . 1 . . . . . 206 ALA QB . 25512 1 841 . 2 2 57 57 ALA C C 13 175.801 0.000 . 1 . . . . . 206 ALA C . 25512 1 842 . 2 2 57 57 ALA CA C 13 50.825 0.019 . 1 . . . . . 206 ALA CA . 25512 1 843 . 2 2 57 57 ALA CB C 13 22.134 0.038 . 1 . . . . . 206 ALA CB . 25512 1 844 . 2 2 57 57 ALA N N 15 124.102 0.022 . 1 . . . . . 206 ALA N . 25512 1 845 . 2 2 58 58 VAL H H 1 7.791 0.002 . 1 . . . . . 207 VAL H . 25512 1 846 . 2 2 58 58 VAL HA H 1 5.102 0.003 . 1 . . . . . 207 VAL HA . 25512 1 847 . 2 2 58 58 VAL HB H 1 1.677 0.002 . 1 . . . . . 207 VAL HB . 25512 1 848 . 2 2 58 58 VAL HG21 H 1 0.738 0.002 . 1 . . . . . 207 VAL QG2 . 25512 1 849 . 2 2 58 58 VAL HG22 H 1 0.738 0.002 . 1 . . . . . 207 VAL QG2 . 25512 1 850 . 2 2 58 58 VAL HG23 H 1 0.738 0.002 . 1 . . . . . 207 VAL QG2 . 25512 1 851 . 2 2 58 58 VAL C C 13 173.651 0.000 . 1 . . . . . 207 VAL C . 25512 1 852 . 2 2 58 58 VAL CA C 13 60.944 0.052 . 1 . . . . . 207 VAL CA . 25512 1 853 . 2 2 58 58 VAL CB C 13 33.322 0.023 . 1 . . . . . 207 VAL CB . 25512 1 854 . 2 2 58 58 VAL CG1 C 13 22.406 0.038 . 1 . . . . . 207 VAL CG1 . 25512 1 855 . 2 2 58 58 VAL CG2 C 13 22.406 0.038 . 1 . . . . . 207 VAL CG2 . 25512 1 856 . 2 2 58 58 VAL N N 15 119.525 0.016 . 1 . . . . . 207 VAL N . 25512 1 857 . 2 2 59 59 PHE H H 1 9.091 0.002 . 1 . . . . . 208 PHE H . 25512 1 858 . 2 2 59 59 PHE HA H 1 4.860 0.003 . 1 . . . . . 208 PHE HA . 25512 1 859 . 2 2 59 59 PHE HB2 H 1 2.609 0.003 . 2 . . . . . 208 PHE HB2 . 25512 1 860 . 2 2 59 59 PHE HB3 H 1 2.983 0.005 . 2 . . . . . 208 PHE HB3 . 25512 1 861 . 2 2 59 59 PHE HD1 H 1 6.962 0.003 . 3 . . . . . 208 PHE QD . 25512 1 862 . 2 2 59 59 PHE HD2 H 1 6.962 0.003 . 3 . . . . . 208 PHE QD . 25512 1 863 . 2 2 59 59 PHE HE1 H 1 7.276 0.002 . 3 . . . . . 208 PHE QE . 25512 1 864 . 2 2 59 59 PHE HE2 H 1 7.276 0.002 . 3 . . . . . 208 PHE QE . 25512 1 865 . 2 2 59 59 PHE C C 13 173.235 0.000 . 1 . . . . . 208 PHE C . 25512 1 866 . 2 2 59 59 PHE CA C 13 55.266 0.051 . 1 . . . . . 208 PHE CA . 25512 1 867 . 2 2 59 59 PHE CB C 13 42.769 0.074 . 1 . . . . . 208 PHE CB . 25512 1 868 . 2 2 59 59 PHE CD1 C 13 131.630 0.039 . 1 . . . . . 208 PHE CD1 . 25512 1 869 . 2 2 59 59 PHE CD2 C 13 131.630 0.039 . 1 . . . . . 208 PHE CD2 . 25512 1 870 . 2 2 59 59 PHE N N 15 124.014 0.032 . 1 . . . . . 208 PHE N . 25512 1 871 . 2 2 60 60 ALA H H 1 8.713 0.002 . 1 . . . . . 209 ALA H . 25512 1 872 . 2 2 60 60 ALA HA H 1 5.053 0.003 . 1 . . . . . 209 ALA HA . 25512 1 873 . 2 2 60 60 ALA HB1 H 1 0.271 0.002 . 1 . . . . . 209 ALA QB . 25512 1 874 . 2 2 60 60 ALA HB2 H 1 0.271 0.002 . 1 . . . . . 209 ALA QB . 25512 1 875 . 2 2 60 60 ALA HB3 H 1 0.271 0.002 . 1 . . . . . 209 ALA QB . 25512 1 876 . 2 2 60 60 ALA C C 13 175.071 0.000 . 1 . . . . . 209 ALA C . 25512 1 877 . 2 2 60 60 ALA CA C 13 50.329 0.015 . 1 . . . . . 209 ALA CA . 25512 1 878 . 2 2 60 60 ALA CB C 13 24.302 0.027 . 1 . . . . . 209 ALA CB . 25512 1 879 . 2 2 60 60 ALA N N 15 121.817 0.026 . 1 . . . . . 209 ALA N . 25512 1 880 . 2 2 61 61 ARG H H 1 7.704 0.002 . 1 . . . . . 210 ARG H . 25512 1 881 . 2 2 61 61 ARG HA H 1 4.914 0.003 . 1 . . . . . 210 ARG HA . 25512 1 882 . 2 2 61 61 ARG HB2 H 1 2.249 0.002 . 2 . . . . . 210 ARG HB2 . 25512 1 883 . 2 2 61 61 ARG HB3 H 1 1.418 0.005 . 2 . . . . . 210 ARG HB3 . 25512 1 884 . 2 2 61 61 ARG HG2 H 1 1.426 0.005 . 2 . . . . . 210 ARG HG2 . 25512 1 885 . 2 2 61 61 ARG HG3 H 1 1.664 0.011 . 2 . . . . . 210 ARG HG3 . 25512 1 886 . 2 2 61 61 ARG HD2 H 1 3.001 0.006 . 2 . . . . . 210 ARG HD2 . 25512 1 887 . 2 2 61 61 ARG HD3 H 1 2.596 0.005 . 2 . . . . . 210 ARG HD3 . 25512 1 888 . 2 2 61 61 ARG HE H 1 7.781 0.002 . 1 . . . . . 210 ARG HE . 25512 1 889 . 2 2 61 61 ARG C C 13 176.598 0.000 . 1 . . . . . 210 ARG C . 25512 1 890 . 2 2 61 61 ARG CA C 13 55.381 0.044 . 1 . . . . . 210 ARG CA . 25512 1 891 . 2 2 61 61 ARG CB C 13 37.140 0.052 . 1 . . . . . 210 ARG CB . 25512 1 892 . 2 2 61 61 ARG CG C 13 27.299 0.050 . 1 . . . . . 210 ARG CG . 25512 1 893 . 2 2 61 61 ARG CD C 13 44.372 0.066 . 1 . . . . . 210 ARG CD . 25512 1 894 . 2 2 61 61 ARG CZ C 13 159.560 0.000 . 1 . . . . . 210 ARG CZ . 25512 1 895 . 2 2 61 61 ARG N N 15 111.357 0.012 . 1 . . . . . 210 ARG N . 25512 1 896 . 2 2 61 61 ARG NE N 15 87.290 0.015 . 1 . . . . . 210 ARG NE . 25512 1 897 . 2 2 62 62 GLU H H 1 9.462 0.002 . 1 . . . . . 211 GLU H . 25512 1 898 . 2 2 62 62 GLU HA H 1 4.598 0.004 . 1 . . . . . 211 GLU HA . 25512 1 899 . 2 2 62 62 GLU HB2 H 1 2.130 0.005 . 2 . . . . . 211 GLU HB2 . 25512 1 900 . 2 2 62 62 GLU HB3 H 1 2.331 0.006 . 2 . . . . . 211 GLU HB3 . 25512 1 901 . 2 2 62 62 GLU HG2 H 1 2.599 0.004 . 2 . . . . . 211 GLU HG2 . 25512 1 902 . 2 2 62 62 GLU HG3 H 1 2.540 0.004 . 2 . . . . . 211 GLU HG3 . 25512 1 903 . 2 2 62 62 GLU C C 13 176.271 0.000 . 1 . . . . . 211 GLU C . 25512 1 904 . 2 2 62 62 GLU CA C 13 57.675 0.031 . 1 . . . . . 211 GLU CA . 25512 1 905 . 2 2 62 62 GLU CB C 13 31.123 0.044 . 1 . . . . . 211 GLU CB . 25512 1 906 . 2 2 62 62 GLU CG C 13 36.141 0.041 . 1 . . . . . 211 GLU CG . 25512 1 907 . 2 2 62 62 GLU N N 15 117.505 0.045 . 1 . . . . . 211 GLU N . 25512 1 908 . 2 2 63 63 LYS H H 1 7.319 0.003 . 1 . . . . . 212 LYS H . 25512 1 909 . 2 2 63 63 LYS HA H 1 4.592 0.000 . 1 . . . . . 212 LYS HA . 25512 1 910 . 2 2 63 63 LYS HG2 H 1 1.578 0.011 . 2 . . . . . 212 LYS HG2 . 25512 1 911 . 2 2 63 63 LYS HG3 H 1 1.472 0.005 . 2 . . . . . 212 LYS HG3 . 25512 1 912 . 2 2 63 63 LYS HE2 H 1 3.075 0.008 . 1 . . . . . 212 LYS HE2 . 25512 1 913 . 2 2 63 63 LYS HE3 H 1 3.075 0.008 . 1 . . . . . 212 LYS HE3 . 25512 1 914 . 2 2 63 63 LYS C C 13 176.983 0.000 . 1 . . . . . 212 LYS C . 25512 1 915 . 2 2 63 63 LYS CA C 13 54.387 0.056 . 1 . . . . . 212 LYS CA . 25512 1 916 . 2 2 63 63 LYS CB C 13 32.469 0.047 . 1 . . . . . 212 LYS CB . 25512 1 917 . 2 2 63 63 LYS CG C 13 25.217 0.080 . 1 . . . . . 212 LYS CG . 25512 1 918 . 2 2 63 63 LYS CD C 13 29.206 0.000 . 1 . . . . . 212 LYS CD . 25512 1 919 . 2 2 63 63 LYS CE C 13 42.305 0.000 . 1 . . . . . 212 LYS CE . 25512 1 920 . 2 2 63 63 LYS N N 15 113.698 0.030 . 1 . . . . . 212 LYS N . 25512 1 921 . 2 2 64 64 GLU H H 1 8.176 0.002 . 1 . . . . . 213 GLU H . 25512 1 922 . 2 2 64 64 GLU HA H 1 2.044 0.006 . 1 . . . . . 213 GLU HA . 25512 1 923 . 2 2 64 64 GLU HB2 H 1 1.749 0.002 . 2 . . . . . 213 GLU HB2 . 25512 1 924 . 2 2 64 64 GLU HB3 H 1 1.536 0.002 . 2 . . . . . 213 GLU HB3 . 25512 1 925 . 2 2 64 64 GLU HG2 H 1 1.626 0.003 . 2 . . . . . 213 GLU HG2 . 25512 1 926 . 2 2 64 64 GLU HG3 H 1 1.615 0.003 . 2 . . . . . 213 GLU HG3 . 25512 1 927 . 2 2 64 64 GLU C C 13 175.561 0.000 . 1 . . . . . 213 GLU C . 25512 1 928 . 2 2 64 64 GLU CA C 13 60.372 0.013 . 1 . . . . . 213 GLU CA . 25512 1 929 . 2 2 64 64 GLU CB C 13 30.735 0.050 . 1 . . . . . 213 GLU CB . 25512 1 930 . 2 2 64 64 GLU CG C 13 36.586 0.033 . 1 . . . . . 213 GLU CG . 25512 1 931 . 2 2 64 64 GLU N N 15 121.442 0.109 . 1 . . . . . 213 GLU N . 25512 1 932 . 2 2 65 65 HIS H H 1 8.136 0.004 . 1 . . . . . 214 HIS H . 25512 1 933 . 2 2 65 65 HIS HA H 1 4.676 0.005 . 1 . . . . . 214 HIS HA . 25512 1 934 . 2 2 65 65 HIS HB2 H 1 3.375 0.003 . 2 . . . . . 214 HIS HB2 . 25512 1 935 . 2 2 65 65 HIS HB3 H 1 2.853 0.006 . 2 . . . . . 214 HIS HB3 . 25512 1 936 . 2 2 65 65 HIS HD2 H 1 7.190 0.006 . 1 . . . . . 214 HIS HD2 . 25512 1 937 . 2 2 65 65 HIS HE1 H 1 7.961 0.004 . 1 . . . . . 214 HIS HE1 . 25512 1 938 . 2 2 65 65 HIS CA C 13 54.113 0.031 . 1 . . . . . 214 HIS CA . 25512 1 939 . 2 2 65 65 HIS CB C 13 28.052 0.067 . 1 . . . . . 214 HIS CB . 25512 1 940 . 2 2 65 65 HIS CD2 C 13 120.170 0.000 . 1 . . . . . 214 HIS CD2 . 25512 1 941 . 2 2 65 65 HIS CE1 C 13 136.432 0.020 . 1 . . . . . 214 HIS CE1 . 25512 1 942 . 2 2 65 65 HIS N N 15 110.694 0.010 . 1 . . . . . 214 HIS N . 25512 1 943 . 2 2 66 66 ALA H H 1 6.944 0.001 . 1 . . . . . 215 ALA H . 25512 1 944 . 2 2 66 66 ALA HA H 1 4.497 0.003 . 1 . . . . . 215 ALA HA . 25512 1 945 . 2 2 66 66 ALA HB1 H 1 1.625 0.001 . 1 . . . . . 215 ALA QB . 25512 1 946 . 2 2 66 66 ALA HB2 H 1 1.625 0.001 . 1 . . . . . 215 ALA QB . 25512 1 947 . 2 2 66 66 ALA HB3 H 1 1.625 0.001 . 1 . . . . . 215 ALA QB . 25512 1 948 . 2 2 66 66 ALA C C 13 174.897 0.000 . 1 . . . . . 215 ALA C . 25512 1 949 . 2 2 66 66 ALA CA C 13 51.314 0.018 . 1 . . . . . 215 ALA CA . 25512 1 950 . 2 2 66 66 ALA CB C 13 21.838 0.020 . 1 . . . . . 215 ALA CB . 25512 1 951 . 2 2 66 66 ALA N N 15 122.342 0.017 . 1 . . . . . 215 ALA N . 25512 1 952 . 2 2 67 67 GLU H H 1 8.106 0.004 . 1 . . . . . 216 GLU H . 25512 1 953 . 2 2 67 67 GLU HA H 1 4.132 0.002 . 1 . . . . . 216 GLU HA . 25512 1 954 . 2 2 67 67 GLU HB2 H 1 2.034 0.002 . 2 . . . . . 216 GLU HB2 . 25512 1 955 . 2 2 67 67 GLU HB3 H 1 2.027 0.004 . 2 . . . . . 216 GLU HB3 . 25512 1 956 . 2 2 67 67 GLU HG2 H 1 2.397 0.000 . 2 . . . . . 216 GLU HG2 . 25512 1 957 . 2 2 67 67 GLU HG3 H 1 2.392 0.004 . 2 . . . . . 216 GLU HG3 . 25512 1 958 . 2 2 67 67 GLU C C 13 175.970 0.000 . 1 . . . . . 216 GLU C . 25512 1 959 . 2 2 67 67 GLU CA C 13 56.848 0.017 . 1 . . . . . 216 GLU CA . 25512 1 960 . 2 2 67 67 GLU CB C 13 30.390 0.048 . 1 . . . . . 216 GLU CB . 25512 1 961 . 2 2 67 67 GLU CG C 13 36.121 0.052 . 1 . . . . . 216 GLU CG . 25512 1 962 . 2 2 67 67 GLU N N 15 116.661 0.015 . 1 . . . . . 216 GLU N . 25512 1 963 . 2 2 68 68 ASP H H 1 8.020 0.001 . 1 . . . . . 217 ASP H . 25512 1 964 . 2 2 68 68 ASP HA H 1 4.816 0.003 . 1 . . . . . 217 ASP HA . 25512 1 965 . 2 2 68 68 ASP HB2 H 1 2.265 0.006 . 2 . . . . . 217 ASP HB2 . 25512 1 966 . 2 2 68 68 ASP HB3 H 1 2.267 0.005 . 2 . . . . . 217 ASP HB3 . 25512 1 967 . 2 2 68 68 ASP C C 13 177.754 0.000 . 1 . . . . . 217 ASP C . 25512 1 968 . 2 2 68 68 ASP CA C 13 54.907 0.020 . 1 . . . . . 217 ASP CA . 25512 1 969 . 2 2 68 68 ASP CB C 13 42.249 0.059 . 1 . . . . . 217 ASP CB . 25512 1 970 . 2 2 68 68 ASP N N 15 122.379 0.036 . 1 . . . . . 217 ASP N . 25512 1 971 . 2 2 69 69 PHE H H 1 9.369 0.005 . 1 . . . . . 218 PHE H . 25512 1 972 . 2 2 69 69 PHE HA H 1 5.204 0.002 . 1 . . . . . 218 PHE HA . 25512 1 973 . 2 2 69 69 PHE HB2 H 1 3.207 0.003 . 2 . . . . . 218 PHE HB2 . 25512 1 974 . 2 2 69 69 PHE HB3 H 1 3.145 0.007 . 2 . . . . . 218 PHE HB3 . 25512 1 975 . 2 2 69 69 PHE HD1 H 1 7.287 0.002 . 3 . . . . . 218 PHE QD . 25512 1 976 . 2 2 69 69 PHE HD2 H 1 7.287 0.002 . 3 . . . . . 218 PHE QD . 25512 1 977 . 2 2 69 69 PHE C C 13 174.255 0.000 . 1 . . . . . 218 PHE C . 25512 1 978 . 2 2 69 69 PHE CA C 13 56.025 0.023 . 1 . . . . . 218 PHE CA . 25512 1 979 . 2 2 69 69 PHE CB C 13 41.506 0.055 . 1 . . . . . 218 PHE CB . 25512 1 980 . 2 2 69 69 PHE CD1 C 13 133.595 0.083 . 1 . . . . . 218 PHE CD1 . 25512 1 981 . 2 2 69 69 PHE CD2 C 13 133.595 0.083 . 1 . . . . . 218 PHE CD2 . 25512 1 982 . 2 2 69 69 PHE N N 15 118.707 0.028 . 1 . . . . . 218 PHE N . 25512 1 983 . 2 2 70 70 LEU H H 1 8.649 0.001 . 1 . . . . . 219 LEU H . 25512 1 984 . 2 2 70 70 LEU HA H 1 4.146 0.002 . 1 . . . . . 219 LEU HA . 25512 1 985 . 2 2 70 70 LEU HB2 H 1 1.660 0.001 . 1 . . . . . 219 LEU HB2 . 25512 1 986 . 2 2 70 70 LEU HB3 H 1 1.660 0.001 . 1 . . . . . 219 LEU HB3 . 25512 1 987 . 2 2 70 70 LEU HG H 1 1.654 0.003 . 1 . . . . . 219 LEU HG . 25512 1 988 . 2 2 70 70 LEU HD11 H 1 0.794 0.000 . 2 . . . . . 219 LEU QD1 . 25512 1 989 . 2 2 70 70 LEU HD12 H 1 0.794 0.000 . 2 . . . . . 219 LEU QD1 . 25512 1 990 . 2 2 70 70 LEU HD13 H 1 0.794 0.000 . 2 . . . . . 219 LEU QD1 . 25512 1 991 . 2 2 70 70 LEU HD21 H 1 0.874 0.003 . 2 . . . . . 219 LEU QD2 . 25512 1 992 . 2 2 70 70 LEU HD22 H 1 0.874 0.003 . 2 . . . . . 219 LEU QD2 . 25512 1 993 . 2 2 70 70 LEU HD23 H 1 0.874 0.003 . 2 . . . . . 219 LEU QD2 . 25512 1 994 . 2 2 70 70 LEU C C 13 176.842 0.000 . 1 . . . . . 219 LEU C . 25512 1 995 . 2 2 70 70 LEU CA C 13 56.700 0.020 . 1 . . . . . 219 LEU CA . 25512 1 996 . 2 2 70 70 LEU CB C 13 42.949 0.022 . 1 . . . . . 219 LEU CB . 25512 1 997 . 2 2 70 70 LEU CG C 13 27.007 0.062 . 1 . . . . . 219 LEU CG . 25512 1 998 . 2 2 70 70 LEU CD1 C 13 25.035 0.000 . 2 . . . . . 219 LEU CD1 . 25512 1 999 . 2 2 70 70 LEU CD2 C 13 24.815 0.012 . 2 . . . . . 219 LEU CD2 . 25512 1 1000 . 2 2 70 70 LEU N N 15 124.262 0.010 . 1 . . . . . 219 LEU N . 25512 1 1001 . 2 2 71 71 VAL H H 1 7.412 0.002 . 1 . . . . . 220 VAL H . 25512 1 1002 . 2 2 71 71 VAL HA H 1 4.635 0.002 . 1 . . . . . 220 VAL HA . 25512 1 1003 . 2 2 71 71 VAL HB H 1 1.993 0.003 . 1 . . . . . 220 VAL HB . 25512 1 1004 . 2 2 71 71 VAL HG11 H 1 0.470 0.003 . 2 . . . . . 220 VAL QG1 . 25512 1 1005 . 2 2 71 71 VAL HG12 H 1 0.470 0.003 . 2 . . . . . 220 VAL QG1 . 25512 1 1006 . 2 2 71 71 VAL HG13 H 1 0.470 0.003 . 2 . . . . . 220 VAL QG1 . 25512 1 1007 . 2 2 71 71 VAL HG21 H 1 0.404 0.003 . 2 . . . . . 220 VAL QG2 . 25512 1 1008 . 2 2 71 71 VAL HG22 H 1 0.404 0.003 . 2 . . . . . 220 VAL QG2 . 25512 1 1009 . 2 2 71 71 VAL HG23 H 1 0.404 0.003 . 2 . . . . . 220 VAL QG2 . 25512 1 1010 . 2 2 71 71 VAL C C 13 174.874 0.000 . 1 . . . . . 220 VAL C . 25512 1 1011 . 2 2 71 71 VAL CA C 13 58.947 0.019 . 1 . . . . . 220 VAL CA . 25512 1 1012 . 2 2 71 71 VAL CB C 13 34.473 0.025 . 1 . . . . . 220 VAL CB . 25512 1 1013 . 2 2 71 71 VAL CG1 C 13 23.702 0.024 . 2 . . . . . 220 VAL CG1 . 25512 1 1014 . 2 2 71 71 VAL CG2 C 13 18.713 0.010 . 2 . . . . . 220 VAL CG2 . 25512 1 1015 . 2 2 71 71 VAL N N 15 115.137 0.013 . 1 . . . . . 220 VAL N . 25512 1 1016 . 2 2 72 72 ASN H H 1 8.762 0.005 . 1 . . . . . 221 ASN H . 25512 1 1017 . 2 2 72 72 ASN HA H 1 4.738 0.002 . 1 . . . . . 221 ASN HA . 25512 1 1018 . 2 2 72 72 ASN HB2 H 1 2.667 0.007 . 2 . . . . . 221 ASN HB2 . 25512 1 1019 . 2 2 72 72 ASN HB3 H 1 2.629 0.002 . 2 . . . . . 221 ASN HB3 . 25512 1 1020 . 2 2 72 72 ASN HD21 H 1 7.347 0.001 . 2 . . . . . 221 ASN HD21 . 25512 1 1021 . 2 2 72 72 ASN HD22 H 1 6.722 0.002 . 2 . . . . . 221 ASN HD22 . 25512 1 1022 . 2 2 72 72 ASN C C 13 174.437 0.000 . 1 . . . . . 221 ASN C . 25512 1 1023 . 2 2 72 72 ASN CA C 13 53.767 0.064 . 1 . . . . . 221 ASN CA . 25512 1 1024 . 2 2 72 72 ASN CB C 13 39.226 0.086 . 1 . . . . . 221 ASN CB . 25512 1 1025 . 2 2 72 72 ASN CG C 13 176.171 0.010 . 1 . . . . . 221 ASN CG . 25512 1 1026 . 2 2 72 72 ASN N N 15 121.468 0.013 . 1 . . . . . 221 ASN N . 25512 1 1027 . 2 2 72 72 ASN ND2 N 15 110.940 0.009 . 1 . . . . . 221 ASN ND2 . 25512 1 1028 . 2 2 73 73 THR H H 1 8.214 0.004 . 1 . . . . . 222 THR H . 25512 1 1029 . 2 2 73 73 THR HA H 1 5.404 0.005 . 1 . . . . . 222 THR HA . 25512 1 1030 . 2 2 73 73 THR HB H 1 3.820 0.003 . 1 . . . . . 222 THR HB . 25512 1 1031 . 2 2 73 73 THR HG21 H 1 0.986 0.002 . 1 . . . . . 222 THR QG2 . 25512 1 1032 . 2 2 73 73 THR HG22 H 1 0.986 0.002 . 1 . . . . . 222 THR QG2 . 25512 1 1033 . 2 2 73 73 THR HG23 H 1 0.986 0.002 . 1 . . . . . 222 THR QG2 . 25512 1 1034 . 2 2 73 73 THR C C 13 174.654 0.000 . 1 . . . . . 222 THR C . 25512 1 1035 . 2 2 73 73 THR CA C 13 60.759 0.031 . 1 . . . . . 222 THR CA . 25512 1 1036 . 2 2 73 73 THR CB C 13 71.556 0.056 . 1 . . . . . 222 THR CB . 25512 1 1037 . 2 2 73 73 THR CG2 C 13 22.732 0.066 . 1 . . . . . 222 THR CG2 . 25512 1 1038 . 2 2 73 73 THR N N 15 119.913 0.075 . 1 . . . . . 222 THR N . 25512 1 1039 . 2 2 74 74 THR H H 1 9.175 0.005 . 1 . . . . . 223 THR H . 25512 1 1040 . 2 2 74 74 THR HA H 1 4.602 0.004 . 1 . . . . . 223 THR HA . 25512 1 1041 . 2 2 74 74 THR HB H 1 4.242 0.002 . 1 . . . . . 223 THR HB . 25512 1 1042 . 2 2 74 74 THR HG21 H 1 1.194 0.002 . 1 . . . . . 223 THR QG2 . 25512 1 1043 . 2 2 74 74 THR HG22 H 1 1.194 0.002 . 1 . . . . . 223 THR QG2 . 25512 1 1044 . 2 2 74 74 THR HG23 H 1 1.194 0.002 . 1 . . . . . 223 THR QG2 . 25512 1 1045 . 2 2 74 74 THR C C 13 172.257 0.000 . 1 . . . . . 223 THR C . 25512 1 1046 . 2 2 74 74 THR CA C 13 60.494 0.026 . 1 . . . . . 223 THR CA . 25512 1 1047 . 2 2 74 74 THR CB C 13 71.615 0.033 . 1 . . . . . 223 THR CB . 25512 1 1048 . 2 2 74 74 THR CG2 C 13 22.486 0.063 . 1 . . . . . 223 THR CG2 . 25512 1 1049 . 2 2 74 74 THR N N 15 118.610 0.013 . 1 . . . . . 223 THR N . 25512 1 1050 . 2 2 75 75 VAL H H 1 8.380 0.001 . 1 . . . . . 224 VAL H . 25512 1 1051 . 2 2 75 75 VAL HA H 1 4.691 0.004 . 1 . . . . . 224 VAL HA . 25512 1 1052 . 2 2 75 75 VAL HB H 1 1.746 0.002 . 1 . . . . . 224 VAL HB . 25512 1 1053 . 2 2 75 75 VAL HG11 H 1 0.641 0.002 . 2 . . . . . 224 VAL QG1 . 25512 1 1054 . 2 2 75 75 VAL HG12 H 1 0.641 0.002 . 2 . . . . . 224 VAL QG1 . 25512 1 1055 . 2 2 75 75 VAL HG13 H 1 0.641 0.002 . 2 . . . . . 224 VAL QG1 . 25512 1 1056 . 2 2 75 75 VAL HG21 H 1 0.638 0.003 . 2 . . . . . 224 VAL QG2 . 25512 1 1057 . 2 2 75 75 VAL HG22 H 1 0.638 0.003 . 2 . . . . . 224 VAL QG2 . 25512 1 1058 . 2 2 75 75 VAL HG23 H 1 0.638 0.003 . 2 . . . . . 224 VAL QG2 . 25512 1 1059 . 2 2 75 75 VAL C C 13 175.911 0.000 . 1 . . . . . 224 VAL C . 25512 1 1060 . 2 2 75 75 VAL CA C 13 61.709 0.025 . 1 . . . . . 224 VAL CA . 25512 1 1061 . 2 2 75 75 VAL CB C 13 33.851 0.025 . 1 . . . . . 224 VAL CB . 25512 1 1062 . 2 2 75 75 VAL CG1 C 13 21.318 0.022 . 2 . . . . . 224 VAL CG1 . 25512 1 1063 . 2 2 75 75 VAL CG2 C 13 21.296 0.036 . 2 . . . . . 224 VAL CG2 . 25512 1 1064 . 2 2 75 75 VAL N N 15 122.000 0.018 . 1 . . . . . 224 VAL N . 25512 1 1065 . 2 2 76 76 GLU H H 1 8.733 0.002 . 1 . . . . . 225 GLU H . 25512 1 1066 . 2 2 76 76 GLU HA H 1 4.558 0.001 . 1 . . . . . 225 GLU HA . 25512 1 1067 . 2 2 76 76 GLU HB2 H 1 2.007 0.003 . 2 . . . . . 225 GLU HB2 . 25512 1 1068 . 2 2 76 76 GLU HB3 H 1 1.816 0.005 . 2 . . . . . 225 GLU HB3 . 25512 1 1069 . 2 2 76 76 GLU HG2 H 1 2.188 0.004 . 1 . . . . . 225 GLU HG2 . 25512 1 1070 . 2 2 76 76 GLU HG3 H 1 2.188 0.004 . 1 . . . . . 225 GLU HG3 . 25512 1 1071 . 2 2 76 76 GLU C C 13 175.970 0.000 . 1 . . . . . 225 GLU C . 25512 1 1072 . 2 2 76 76 GLU CA C 13 55.248 0.021 . 1 . . . . . 225 GLU CA . 25512 1 1073 . 2 2 76 76 GLU CB C 13 31.835 0.051 . 1 . . . . . 225 GLU CB . 25512 1 1074 . 2 2 76 76 GLU CG C 13 35.800 0.056 . 1 . . . . . 225 GLU CG . 25512 1 1075 . 2 2 76 76 GLU N N 15 128.797 0.035 . 1 . . . . . 225 GLU N . 25512 1 1076 . 2 2 77 77 GLY H H 1 8.984 0.001 . 1 . . . . . 226 GLY H . 25512 1 1077 . 2 2 77 77 GLY HA2 H 1 3.663 0.001 . 2 . . . . . 226 GLY HA2 . 25512 1 1078 . 2 2 77 77 GLY HA3 H 1 3.950 0.002 . 2 . . . . . 226 GLY HA3 . 25512 1 1079 . 2 2 77 77 GLY C C 13 174.018 0.000 . 1 . . . . . 226 GLY C . 25512 1 1080 . 2 2 77 77 GLY CA C 13 47.623 0.017 . 1 . . . . . 226 GLY CA . 25512 1 1081 . 2 2 77 77 GLY N N 15 117.100 0.012 . 1 . . . . . 226 GLY N . 25512 1 1082 . 2 2 78 78 ASN H H 1 8.518 0.003 . 1 . . . . . 227 ASN H . 25512 1 1083 . 2 2 78 78 ASN HA H 1 5.093 0.003 . 1 . . . . . 227 ASN HA . 25512 1 1084 . 2 2 78 78 ASN HB2 H 1 2.760 0.002 . 2 . . . . . 227 ASN HB2 . 25512 1 1085 . 2 2 78 78 ASN HB3 H 1 3.737 0.004 . 2 . . . . . 227 ASN HB3 . 25512 1 1086 . 2 2 78 78 ASN HD21 H 1 6.742 0.006 . 2 . . . . . 227 ASN HD21 . 25512 1 1087 . 2 2 78 78 ASN HD22 H 1 7.476 0.001 . 2 . . . . . 227 ASN HD22 . 25512 1 1088 . 2 2 78 78 ASN C C 13 173.818 0.000 . 1 . . . . . 227 ASN C . 25512 1 1089 . 2 2 78 78 ASN CA C 13 53.324 0.025 . 1 . . . . . 227 ASN CA . 25512 1 1090 . 2 2 78 78 ASN CB C 13 39.094 0.050 . 1 . . . . . 227 ASN CB . 25512 1 1091 . 2 2 78 78 ASN N N 15 125.872 0.013 . 1 . . . . . 227 ASN N . 25512 1 1092 . 2 2 78 78 ASN ND2 N 15 112.453 0.032 . 1 . . . . . 227 ASN ND2 . 25512 1 1093 . 2 2 79 79 THR H H 1 8.093 0.002 . 1 . . . . . 228 THR H . 25512 1 1094 . 2 2 79 79 THR HA H 1 4.989 0.002 . 1 . . . . . 228 THR HA . 25512 1 1095 . 2 2 79 79 THR HB H 1 4.215 0.002 . 1 . . . . . 228 THR HB . 25512 1 1096 . 2 2 79 79 THR HG21 H 1 1.226 0.003 . 1 . . . . . 228 THR QG2 . 25512 1 1097 . 2 2 79 79 THR HG22 H 1 1.226 0.003 . 1 . . . . . 228 THR QG2 . 25512 1 1098 . 2 2 79 79 THR HG23 H 1 1.226 0.003 . 1 . . . . . 228 THR QG2 . 25512 1 1099 . 2 2 79 79 THR C C 13 172.578 0.000 . 1 . . . . . 228 THR C . 25512 1 1100 . 2 2 79 79 THR CA C 13 62.322 0.026 . 1 . . . . . 228 THR CA . 25512 1 1101 . 2 2 79 79 THR CB C 13 71.208 0.061 . 1 . . . . . 228 THR CB . 25512 1 1102 . 2 2 79 79 THR CG2 C 13 22.661 0.033 . 1 . . . . . 228 THR CG2 . 25512 1 1103 . 2 2 79 79 THR N N 15 116.278 0.019 . 1 . . . . . 228 THR N . 25512 1 1104 . 2 2 80 80 LEU H H 1 9.138 0.003 . 1 . . . . . 229 LEU H . 25512 1 1105 . 2 2 80 80 LEU HA H 1 4.670 0.002 . 1 . . . . . 229 LEU HA . 25512 1 1106 . 2 2 80 80 LEU HB2 H 1 1.243 0.003 . 2 . . . . . 229 LEU HB2 . 25512 1 1107 . 2 2 80 80 LEU HB3 H 1 1.761 0.002 . 2 . . . . . 229 LEU HB3 . 25512 1 1108 . 2 2 80 80 LEU HG H 1 1.610 0.004 . 1 . . . . . 229 LEU HG . 25512 1 1109 . 2 2 80 80 LEU HD11 H 1 0.715 0.005 . 2 . . . . . 229 LEU QD1 . 25512 1 1110 . 2 2 80 80 LEU HD12 H 1 0.715 0.005 . 2 . . . . . 229 LEU QD1 . 25512 1 1111 . 2 2 80 80 LEU HD13 H 1 0.715 0.005 . 2 . . . . . 229 LEU QD1 . 25512 1 1112 . 2 2 80 80 LEU HD21 H 1 0.736 0.005 . 2 . . . . . 229 LEU QD2 . 25512 1 1113 . 2 2 80 80 LEU HD22 H 1 0.736 0.005 . 2 . . . . . 229 LEU QD2 . 25512 1 1114 . 2 2 80 80 LEU HD23 H 1 0.736 0.005 . 2 . . . . . 229 LEU QD2 . 25512 1 1115 . 2 2 80 80 LEU C C 13 174.842 0.000 . 1 . . . . . 229 LEU C . 25512 1 1116 . 2 2 80 80 LEU CA C 13 54.215 0.029 . 1 . . . . . 229 LEU CA . 25512 1 1117 . 2 2 80 80 LEU CB C 13 42.773 0.026 . 1 . . . . . 229 LEU CB . 25512 1 1118 . 2 2 80 80 LEU CD1 C 13 25.383 0.026 . 1 . . . . . 229 LEU CD1 . 25512 1 1119 . 2 2 80 80 LEU CD2 C 13 25.383 0.026 . 1 . . . . . 229 LEU CD2 . 25512 1 1120 . 2 2 80 80 LEU N N 15 126.899 0.014 . 1 . . . . . 229 LEU N . 25512 1 1121 . 2 2 81 81 ILE H H 1 9.199 0.003 . 1 . . . . . 230 ILE H . 25512 1 1122 . 2 2 81 81 ILE HA H 1 4.364 0.003 . 1 . . . . . 230 ILE HA . 25512 1 1123 . 2 2 81 81 ILE HB H 1 1.777 0.005 . 1 . . . . . 230 ILE HB . 25512 1 1124 . 2 2 81 81 ILE HG12 H 1 0.865 0.003 . 2 . . . . . 230 ILE HG12 . 25512 1 1125 . 2 2 81 81 ILE HG13 H 1 1.472 0.003 . 2 . . . . . 230 ILE HG13 . 25512 1 1126 . 2 2 81 81 ILE HG21 H 1 0.157 0.002 . 1 . . . . . 230 ILE QG2 . 25512 1 1127 . 2 2 81 81 ILE HG22 H 1 0.157 0.002 . 1 . . . . . 230 ILE QG2 . 25512 1 1128 . 2 2 81 81 ILE HG23 H 1 0.157 0.002 . 1 . . . . . 230 ILE QG2 . 25512 1 1129 . 2 2 81 81 ILE HD11 H 1 0.791 0.002 . 1 . . . . . 230 ILE QD1 . 25512 1 1130 . 2 2 81 81 ILE HD12 H 1 0.791 0.002 . 1 . . . . . 230 ILE QD1 . 25512 1 1131 . 2 2 81 81 ILE HD13 H 1 0.791 0.002 . 1 . . . . . 230 ILE QD1 . 25512 1 1132 . 2 2 81 81 ILE C C 13 175.769 0.000 . 1 . . . . . 230 ILE C . 25512 1 1133 . 2 2 81 81 ILE CA C 13 60.947 0.042 . 1 . . . . . 230 ILE CA . 25512 1 1134 . 2 2 81 81 ILE CB C 13 37.888 0.047 . 1 . . . . . 230 ILE CB . 25512 1 1135 . 2 2 81 81 ILE CG1 C 13 27.938 0.053 . 1 . . . . . 230 ILE CG1 . 25512 1 1136 . 2 2 81 81 ILE CG2 C 13 17.954 0.033 . 1 . . . . . 230 ILE CG2 . 25512 1 1137 . 2 2 81 81 ILE CD1 C 13 14.332 0.046 . 1 . . . . . 230 ILE CD1 . 25512 1 1138 . 2 2 81 81 ILE N N 15 124.563 0.025 . 1 . . . . . 230 ILE N . 25512 1 1139 . 2 2 82 82 VAL H H 1 9.551 0.002 . 1 . . . . . 231 VAL H . 25512 1 1140 . 2 2 82 82 VAL HA H 1 4.396 0.002 . 1 . . . . . 231 VAL HA . 25512 1 1141 . 2 2 82 82 VAL HB H 1 2.082 0.003 . 1 . . . . . 231 VAL HB . 25512 1 1142 . 2 2 82 82 VAL HG11 H 1 0.847 0.010 . 2 . . . . . 231 VAL QG1 . 25512 1 1143 . 2 2 82 82 VAL HG12 H 1 0.847 0.010 . 2 . . . . . 231 VAL QG1 . 25512 1 1144 . 2 2 82 82 VAL HG13 H 1 0.847 0.010 . 2 . . . . . 231 VAL QG1 . 25512 1 1145 . 2 2 82 82 VAL HG21 H 1 0.947 0.003 . 2 . . . . . 231 VAL QG2 . 25512 1 1146 . 2 2 82 82 VAL HG22 H 1 0.947 0.003 . 2 . . . . . 231 VAL QG2 . 25512 1 1147 . 2 2 82 82 VAL HG23 H 1 0.947 0.003 . 2 . . . . . 231 VAL QG2 . 25512 1 1148 . 2 2 82 82 VAL C C 13 177.601 0.000 . 1 . . . . . 231 VAL C . 25512 1 1149 . 2 2 82 82 VAL CA C 13 61.152 0.034 . 1 . . . . . 231 VAL CA . 25512 1 1150 . 2 2 82 82 VAL CB C 13 33.474 0.077 . 1 . . . . . 231 VAL CB . 25512 1 1151 . 2 2 82 82 VAL CG1 C 13 21.484 0.089 . 2 . . . . . 231 VAL CG1 . 25512 1 1152 . 2 2 82 82 VAL CG2 C 13 20.552 0.040 . 2 . . . . . 231 VAL CG2 . 25512 1 1153 . 2 2 82 82 VAL N N 15 129.379 0.029 . 1 . . . . . 231 VAL N . 25512 1 1154 . 2 2 83 83 HIS H H 1 8.940 0.004 . 1 . . . . . 232 HIS H . 25512 1 1155 . 2 2 83 83 HIS HA H 1 4.376 0.003 . 1 . . . . . 232 HIS HA . 25512 1 1156 . 2 2 83 83 HIS HB2 H 1 3.326 0.004 . 2 . . . . . 232 HIS HB2 . 25512 1 1157 . 2 2 83 83 HIS HB3 H 1 3.219 0.003 . 2 . . . . . 232 HIS HB3 . 25512 1 1158 . 2 2 83 83 HIS HD2 H 1 7.058 0.006 . 1 . . . . . 232 HIS HD2 . 25512 1 1159 . 2 2 83 83 HIS CA C 13 56.106 0.023 . 1 . . . . . 232 HIS CA . 25512 1 1160 . 2 2 83 83 HIS CB C 13 26.999 0.088 . 1 . . . . . 232 HIS CB . 25512 1 1161 . 2 2 83 83 HIS CD2 C 13 118.996 0.118 . 1 . . . . . 232 HIS CD2 . 25512 1 1162 . 2 2 83 83 HIS N N 15 127.758 0.031 . 1 . . . . . 232 HIS N . 25512 1 1163 . 2 2 84 84 GLY H H 1 8.316 0.003 . 1 . . . . . 233 GLY H . 25512 1 1164 . 2 2 84 84 GLY HA2 H 1 4.186 0.002 . 2 . . . . . 233 GLY HA2 . 25512 1 1165 . 2 2 84 84 GLY HA3 H 1 3.918 0.006 . 2 . . . . . 233 GLY HA3 . 25512 1 1166 . 2 2 84 84 GLY C C 13 171.592 0.000 . 1 . . . . . 233 GLY C . 25512 1 1167 . 2 2 84 84 GLY CA C 13 45.390 0.024 . 1 . . . . . 233 GLY CA . 25512 1 1168 . 2 2 84 84 GLY N N 15 114.950 0.026 . 1 . . . . . 233 GLY N . 25512 1 1169 . 2 2 85 85 THR H H 1 6.976 0.003 . 1 . . . . . 234 THR H . 25512 1 1170 . 2 2 85 85 THR HA H 1 4.283 0.003 . 1 . . . . . 234 THR HA . 25512 1 1171 . 2 2 85 85 THR HB H 1 3.625 0.002 . 1 . . . . . 234 THR HB . 25512 1 1172 . 2 2 85 85 THR HG21 H 1 0.699 0.001 . 1 . . . . . 234 THR QG2 . 25512 1 1173 . 2 2 85 85 THR HG22 H 1 0.699 0.001 . 1 . . . . . 234 THR QG2 . 25512 1 1174 . 2 2 85 85 THR HG23 H 1 0.699 0.001 . 1 . . . . . 234 THR QG2 . 25512 1 1175 . 2 2 85 85 THR C C 13 172.557 0.000 . 1 . . . . . 234 THR C . 25512 1 1176 . 2 2 85 85 THR CA C 13 59.311 0.029 . 1 . . . . . 234 THR CA . 25512 1 1177 . 2 2 85 85 THR CB C 13 71.311 0.039 . 1 . . . . . 234 THR CB . 25512 1 1178 . 2 2 85 85 THR CG2 C 13 20.932 0.012 . 1 . . . . . 234 THR CG2 . 25512 1 1179 . 2 2 85 85 THR N N 15 106.855 0.023 . 1 . . . . . 234 THR N . 25512 1 1180 . 2 2 86 86 TYR H H 1 9.203 0.002 . 1 . . . . . 235 TYR H . 25512 1 1181 . 2 2 86 86 TYR HA H 1 4.903 0.002 . 1 . . . . . 235 TYR HA . 25512 1 1182 . 2 2 86 86 TYR HB2 H 1 3.183 0.002 . 2 . . . . . 235 TYR HB2 . 25512 1 1183 . 2 2 86 86 TYR HB3 H 1 2.299 0.002 . 2 . . . . . 235 TYR HB3 . 25512 1 1184 . 2 2 86 86 TYR HD1 H 1 6.964 0.003 . 3 . . . . . 235 TYR QD . 25512 1 1185 . 2 2 86 86 TYR HD2 H 1 6.964 0.003 . 3 . . . . . 235 TYR QD . 25512 1 1186 . 2 2 86 86 TYR HE1 H 1 6.658 0.003 . 3 . . . . . 235 TYR QE . 25512 1 1187 . 2 2 86 86 TYR HE2 H 1 6.658 0.003 . 3 . . . . . 235 TYR QE . 25512 1 1188 . 2 2 86 86 TYR CA C 13 56.151 0.029 . 1 . . . . . 235 TYR CA . 25512 1 1189 . 2 2 86 86 TYR CB C 13 42.851 0.043 . 1 . . . . . 235 TYR CB . 25512 1 1190 . 2 2 86 86 TYR CD1 C 13 133.745 0.071 . 1 . . . . . 235 TYR CD1 . 25512 1 1191 . 2 2 86 86 TYR CD2 C 13 133.745 0.071 . 1 . . . . . 235 TYR CD2 . 25512 1 1192 . 2 2 86 86 TYR CE1 C 13 117.719 0.049 . 1 . . . . . 235 TYR CE1 . 25512 1 1193 . 2 2 86 86 TYR CE2 C 13 117.719 0.049 . 1 . . . . . 235 TYR CE2 . 25512 1 1194 . 2 2 86 86 TYR N N 15 121.084 0.012 . 1 . . . . . 235 TYR N . 25512 1 1195 . 2 2 87 87 PRO HA H 1 4.154 0.002 . 1 . . . . . 236 PRO HA . 25512 1 1196 . 2 2 87 87 PRO HB2 H 1 2.052 0.003 . 2 . . . . . 236 PRO HB2 . 25512 1 1197 . 2 2 87 87 PRO HB3 H 1 2.288 0.004 . 2 . . . . . 236 PRO HB3 . 25512 1 1198 . 2 2 87 87 PRO HG2 H 1 2.681 0.002 . 2 . . . . . 236 PRO HG2 . 25512 1 1199 . 2 2 87 87 PRO HG3 H 1 2.215 0.004 . 2 . . . . . 236 PRO HG3 . 25512 1 1200 . 2 2 87 87 PRO HD2 H 1 4.151 0.003 . 2 . . . . . 236 PRO HD2 . 25512 1 1201 . 2 2 87 87 PRO HD3 H 1 4.010 0.004 . 2 . . . . . 236 PRO HD3 . 25512 1 1202 . 2 2 87 87 PRO C C 13 176.853 0.000 . 1 . . . . . 236 PRO C . 25512 1 1203 . 2 2 87 87 PRO CA C 13 64.915 0.034 . 1 . . . . . 236 PRO CA . 25512 1 1204 . 2 2 87 87 PRO CB C 13 32.394 0.047 . 1 . . . . . 236 PRO CB . 25512 1 1205 . 2 2 87 87 PRO CG C 13 28.138 0.034 . 1 . . . . . 236 PRO CG . 25512 1 1206 . 2 2 87 87 PRO CD C 13 50.506 0.039 . 1 . . . . . 236 PRO CD . 25512 1 1207 . 2 2 88 88 PHE H H 1 7.244 0.002 . 1 . . . . . 237 PHE H . 25512 1 1208 . 2 2 88 88 PHE HA H 1 5.516 0.002 . 1 . . . . . 237 PHE HA . 25512 1 1209 . 2 2 88 88 PHE HB2 H 1 2.942 0.002 . 2 . . . . . 237 PHE HB2 . 25512 1 1210 . 2 2 88 88 PHE HB3 H 1 2.943 0.002 . 2 . . . . . 237 PHE HB3 . 25512 1 1211 . 2 2 88 88 PHE HD1 H 1 7.076 0.004 . 3 . . . . . 237 PHE QD . 25512 1 1212 . 2 2 88 88 PHE HD2 H 1 7.076 0.004 . 3 . . . . . 237 PHE QD . 25512 1 1213 . 2 2 88 88 PHE C C 13 174.539 0.000 . 1 . . . . . 237 PHE C . 25512 1 1214 . 2 2 88 88 PHE CA C 13 56.477 0.020 . 1 . . . . . 237 PHE CA . 25512 1 1215 . 2 2 88 88 PHE CB C 13 43.486 0.044 . 1 . . . . . 237 PHE CB . 25512 1 1216 . 2 2 88 88 PHE N N 15 111.647 0.014 . 1 . . . . . 237 PHE N . 25512 1 1217 . 2 2 89 89 LEU H H 1 9.103 0.002 . 1 . . . . . 238 LEU H . 25512 1 1218 . 2 2 89 89 LEU HA H 1 5.382 0.001 . 1 . . . . . 238 LEU HA . 25512 1 1219 . 2 2 89 89 LEU HB2 H 1 1.390 0.010 . 2 . . . . . 238 LEU HB2 . 25512 1 1220 . 2 2 89 89 LEU HB3 H 1 1.668 0.003 . 2 . . . . . 238 LEU HB3 . 25512 1 1221 . 2 2 89 89 LEU HG H 1 1.868 0.002 . 1 . . . . . 238 LEU HG . 25512 1 1222 . 2 2 89 89 LEU HD11 H 1 0.966 0.003 . 2 . . . . . 238 LEU QD1 . 25512 1 1223 . 2 2 89 89 LEU HD12 H 1 0.966 0.003 . 2 . . . . . 238 LEU QD1 . 25512 1 1224 . 2 2 89 89 LEU HD13 H 1 0.966 0.003 . 2 . . . . . 238 LEU QD1 . 25512 1 1225 . 2 2 89 89 LEU HD21 H 1 0.886 0.006 . 2 . . . . . 238 LEU QD2 . 25512 1 1226 . 2 2 89 89 LEU HD22 H 1 0.886 0.006 . 2 . . . . . 238 LEU QD2 . 25512 1 1227 . 2 2 89 89 LEU HD23 H 1 0.886 0.006 . 2 . . . . . 238 LEU QD2 . 25512 1 1228 . 2 2 89 89 LEU C C 13 175.038 0.000 . 1 . . . . . 238 LEU C . 25512 1 1229 . 2 2 89 89 LEU CA C 13 53.466 0.020 . 1 . . . . . 238 LEU CA . 25512 1 1230 . 2 2 89 89 LEU CB C 13 47.542 0.055 . 1 . . . . . 238 LEU CB . 25512 1 1231 . 2 2 89 89 LEU CG C 13 27.127 0.076 . 1 . . . . . 238 LEU CG . 25512 1 1232 . 2 2 89 89 LEU CD1 C 13 25.138 0.014 . 1 . . . . . 238 LEU CD1 . 25512 1 1233 . 2 2 89 89 LEU CD2 C 13 25.138 0.014 . 1 . . . . . 238 LEU CD2 . 25512 1 1234 . 2 2 89 89 LEU N N 15 119.268 0.015 . 1 . . . . . 238 LEU N . 25512 1 1235 . 2 2 90 90 VAL H H 1 9.366 0.002 . 1 . . . . . 239 VAL H . 25512 1 1236 . 2 2 90 90 VAL HA H 1 4.849 0.003 . 1 . . . . . 239 VAL HA . 25512 1 1237 . 2 2 90 90 VAL HB H 1 1.951 0.004 . 1 . . . . . 239 VAL HB . 25512 1 1238 . 2 2 90 90 VAL HG11 H 1 0.969 0.000 . 2 . . . . . 239 VAL QG1 . 25512 1 1239 . 2 2 90 90 VAL HG12 H 1 0.969 0.000 . 2 . . . . . 239 VAL QG1 . 25512 1 1240 . 2 2 90 90 VAL HG13 H 1 0.969 0.000 . 2 . . . . . 239 VAL QG1 . 25512 1 1241 . 2 2 90 90 VAL HG21 H 1 0.974 0.005 . 2 . . . . . 239 VAL QG2 . 25512 1 1242 . 2 2 90 90 VAL HG22 H 1 0.974 0.005 . 2 . . . . . 239 VAL QG2 . 25512 1 1243 . 2 2 90 90 VAL HG23 H 1 0.974 0.005 . 2 . . . . . 239 VAL QG2 . 25512 1 1244 . 2 2 90 90 VAL C C 13 174.509 0.000 . 1 . . . . . 239 VAL C . 25512 1 1245 . 2 2 90 90 VAL CA C 13 61.171 0.051 . 1 . . . . . 239 VAL CA . 25512 1 1246 . 2 2 90 90 VAL CB C 13 35.389 0.034 . 1 . . . . . 239 VAL CB . 25512 1 1247 . 2 2 90 90 VAL CG1 C 13 22.387 0.034 . 2 . . . . . 239 VAL CG1 . 25512 1 1248 . 2 2 90 90 VAL CG2 C 13 20.599 0.011 . 2 . . . . . 239 VAL CG2 . 25512 1 1249 . 2 2 90 90 VAL N N 15 119.601 0.020 . 1 . . . . . 239 VAL N . 25512 1 1250 . 2 2 91 91 VAL H H 1 9.188 0.002 . 1 . . . . . 240 VAL H . 25512 1 1251 . 2 2 91 91 VAL HA H 1 4.855 0.002 . 1 . . . . . 240 VAL HA . 25512 1 1252 . 2 2 91 91 VAL HB H 1 2.085 0.004 . 1 . . . . . 240 VAL HB . 25512 1 1253 . 2 2 91 91 VAL HG11 H 1 0.868 0.003 . 2 . . . . . 240 VAL QG1 . 25512 1 1254 . 2 2 91 91 VAL HG12 H 1 0.868 0.003 . 2 . . . . . 240 VAL QG1 . 25512 1 1255 . 2 2 91 91 VAL HG13 H 1 0.868 0.003 . 2 . . . . . 240 VAL QG1 . 25512 1 1256 . 2 2 91 91 VAL HG21 H 1 0.861 0.006 . 2 . . . . . 240 VAL QG2 . 25512 1 1257 . 2 2 91 91 VAL HG22 H 1 0.861 0.006 . 2 . . . . . 240 VAL QG2 . 25512 1 1258 . 2 2 91 91 VAL HG23 H 1 0.861 0.006 . 2 . . . . . 240 VAL QG2 . 25512 1 1259 . 2 2 91 91 VAL C C 13 175.477 0.000 . 1 . . . . . 240 VAL C . 25512 1 1260 . 2 2 91 91 VAL CA C 13 61.261 0.036 . 1 . . . . . 240 VAL CA . 25512 1 1261 . 2 2 91 91 VAL CB C 13 33.233 0.058 . 1 . . . . . 240 VAL CB . 25512 1 1262 . 2 2 91 91 VAL CG1 C 13 22.097 0.000 . 2 . . . . . 240 VAL CG1 . 25512 1 1263 . 2 2 91 91 VAL CG2 C 13 20.554 0.000 . 2 . . . . . 240 VAL CG2 . 25512 1 1264 . 2 2 91 91 VAL N N 15 126.413 0.034 . 1 . . . . . 240 VAL N . 25512 1 1265 . 2 2 92 92 ARG H H 1 9.429 0.003 . 1 . . . . . 241 ARG H . 25512 1 1266 . 2 2 92 92 ARG HA H 1 5.355 0.002 . 1 . . . . . 241 ARG HA . 25512 1 1267 . 2 2 92 92 ARG HB2 H 1 1.975 0.003 . 2 . . . . . 241 ARG HB2 . 25512 1 1268 . 2 2 92 92 ARG HB3 H 1 1.830 0.001 . 2 . . . . . 241 ARG HB3 . 25512 1 1269 . 2 2 92 92 ARG HG2 H 1 1.671 0.009 . 2 . . . . . 241 ARG HG2 . 25512 1 1270 . 2 2 92 92 ARG HG3 H 1 1.574 0.000 . 2 . . . . . 241 ARG HG3 . 25512 1 1271 . 2 2 92 92 ARG HD2 H 1 2.999 0.012 . 1 . . . . . 241 ARG HD2 . 25512 1 1272 . 2 2 92 92 ARG HD3 H 1 2.999 0.012 . 1 . . . . . 241 ARG HD3 . 25512 1 1273 . 2 2 92 92 ARG C C 13 175.893 0.000 . 1 . . . . . 241 ARG C . 25512 1 1274 . 2 2 92 92 ARG CA C 13 55.348 0.032 . 1 . . . . . 241 ARG CA . 25512 1 1275 . 2 2 92 92 ARG CB C 13 34.709 0.025 . 1 . . . . . 241 ARG CB . 25512 1 1276 . 2 2 92 92 ARG CG C 13 29.137 0.060 . 1 . . . . . 241 ARG CG . 25512 1 1277 . 2 2 92 92 ARG CD C 13 43.393 0.018 . 1 . . . . . 241 ARG CD . 25512 1 1278 . 2 2 92 92 ARG N N 15 124.884 0.025 . 1 . . . . . 241 ARG N . 25512 1 1279 . 2 2 93 93 HIS H H 1 8.244 0.002 . 1 . . . . . 242 HIS H . 25512 1 1280 . 2 2 93 93 HIS HA H 1 4.698 0.007 . 1 . . . . . 242 HIS HA . 25512 1 1281 . 2 2 93 93 HIS HB2 H 1 2.861 0.004 . 2 . . . . . 242 HIS HB2 . 25512 1 1282 . 2 2 93 93 HIS HB3 H 1 3.161 0.005 . 2 . . . . . 242 HIS HB3 . 25512 1 1283 . 2 2 93 93 HIS HD2 H 1 6.755 0.020 . 1 . . . . . 242 HIS HD2 . 25512 1 1284 . 2 2 93 93 HIS HE1 H 1 8.040 0.016 . 1 . . . . . 242 HIS HE1 . 25512 1 1285 . 2 2 93 93 HIS CA C 13 58.223 0.053 . 1 . . . . . 242 HIS CA . 25512 1 1286 . 2 2 93 93 HIS CB C 13 33.970 0.089 . 1 . . . . . 242 HIS CB . 25512 1 1287 . 2 2 93 93 HIS CD2 C 13 118.087 0.000 . 1 . . . . . 242 HIS CD2 . 25512 1 1288 . 2 2 93 93 HIS CE1 C 13 138.614 0.034 . 1 . . . . . 242 HIS CE1 . 25512 1 1289 . 2 2 93 93 HIS N N 15 121.596 0.096 . 1 . . . . . 242 HIS N . 25512 1 1290 . 2 2 94 94 GLY H H 1 9.018 0.005 . 1 . . . . . 243 GLY H . 25512 1 1291 . 2 2 94 94 GLY HA2 H 1 3.960 0.006 . 2 . . . . . 243 GLY HA2 . 25512 1 1292 . 2 2 94 94 GLY HA3 H 1 3.652 0.003 . 2 . . . . . 243 GLY HA3 . 25512 1 1293 . 2 2 94 94 GLY C C 13 174.654 0.000 . 1 . . . . . 243 GLY C . 25512 1 1294 . 2 2 94 94 GLY CA C 13 47.348 0.090 . 1 . . . . . 243 GLY CA . 25512 1 1295 . 2 2 94 94 GLY N N 15 119.646 0.030 . 1 . . . . . 243 GLY N . 25512 1 1296 . 2 2 95 95 ASP H H 1 8.852 0.001 . 1 . . . . . 244 ASP H . 25512 1 1297 . 2 2 95 95 ASP HA H 1 4.636 0.001 . 1 . . . . . 244 ASP HA . 25512 1 1298 . 2 2 95 95 ASP HB2 H 1 2.694 0.000 . 2 . . . . . 244 ASP HB2 . 25512 1 1299 . 2 2 95 95 ASP HB3 H 1 2.751 0.003 . 2 . . . . . 244 ASP HB3 . 25512 1 1300 . 2 2 95 95 ASP C C 13 175.086 0.000 . 1 . . . . . 244 ASP C . 25512 1 1301 . 2 2 95 95 ASP CA C 13 54.138 0.023 . 1 . . . . . 244 ASP CA . 25512 1 1302 . 2 2 95 95 ASP CB C 13 40.281 0.033 . 1 . . . . . 244 ASP CB . 25512 1 1303 . 2 2 95 95 ASP N N 15 126.537 0.084 . 1 . . . . . 244 ASP N . 25512 1 1304 . 2 2 96 96 ASN H H 1 8.268 0.007 . 1 . . . . . 245 ASN H . 25512 1 1305 . 2 2 96 96 ASN HA H 1 5.014 0.002 . 1 . . . . . 245 ASN HA . 25512 1 1306 . 2 2 96 96 ASN HB2 H 1 3.145 0.003 . 2 . . . . . 245 ASN HB2 . 25512 1 1307 . 2 2 96 96 ASN HB3 H 1 2.388 0.005 . 2 . . . . . 245 ASN HB3 . 25512 1 1308 . 2 2 96 96 ASN HD21 H 1 7.318 0.005 . 2 . . . . . 245 ASN HD21 . 25512 1 1309 . 2 2 96 96 ASN HD22 H 1 7.622 0.004 . 2 . . . . . 245 ASN HD22 . 25512 1 1310 . 2 2 96 96 ASN C C 13 174.557 0.000 . 1 . . . . . 245 ASN C . 25512 1 1311 . 2 2 96 96 ASN CA C 13 53.189 0.021 . 1 . . . . . 245 ASN CA . 25512 1 1312 . 2 2 96 96 ASN CB C 13 41.954 0.034 . 1 . . . . . 245 ASN CB . 25512 1 1313 . 2 2 96 96 ASN N N 15 117.350 0.012 . 1 . . . . . 245 ASN N . 25512 1 1314 . 2 2 96 96 ASN ND2 N 15 116.025 0.043 . 1 . . . . . 245 ASN ND2 . 25512 1 1315 . 2 2 97 97 VAL H H 1 8.699 0.002 . 1 . . . . . 246 VAL H . 25512 1 1316 . 2 2 97 97 VAL HA H 1 5.338 0.004 . 1 . . . . . 246 VAL HA . 25512 1 1317 . 2 2 97 97 VAL HB H 1 1.945 0.002 . 1 . . . . . 246 VAL HB . 25512 1 1318 . 2 2 97 97 VAL HG11 H 1 0.914 0.001 . 2 . . . . . 246 VAL QG1 . 25512 1 1319 . 2 2 97 97 VAL HG12 H 1 0.914 0.001 . 2 . . . . . 246 VAL QG1 . 25512 1 1320 . 2 2 97 97 VAL HG13 H 1 0.914 0.001 . 2 . . . . . 246 VAL QG1 . 25512 1 1321 . 2 2 97 97 VAL HG21 H 1 0.911 0.003 . 2 . . . . . 246 VAL QG2 . 25512 1 1322 . 2 2 97 97 VAL HG22 H 1 0.911 0.003 . 2 . . . . . 246 VAL QG2 . 25512 1 1323 . 2 2 97 97 VAL HG23 H 1 0.911 0.003 . 2 . . . . . 246 VAL QG2 . 25512 1 1324 . 2 2 97 97 VAL C C 13 174.155 0.000 . 1 . . . . . 246 VAL C . 25512 1 1325 . 2 2 97 97 VAL CA C 13 60.295 0.022 . 1 . . . . . 246 VAL CA . 25512 1 1326 . 2 2 97 97 VAL CB C 13 35.258 0.029 . 1 . . . . . 246 VAL CB . 25512 1 1327 . 2 2 97 97 VAL CG1 C 13 22.197 0.027 . 2 . . . . . 246 VAL CG1 . 25512 1 1328 . 2 2 97 97 VAL CG2 C 13 20.857 0.052 . 2 . . . . . 246 VAL CG2 . 25512 1 1329 . 2 2 97 97 VAL N N 15 121.022 0.029 . 1 . . . . . 246 VAL N . 25512 1 1330 . 2 2 98 98 VAL H H 1 9.309 0.005 . 1 . . . . . 247 VAL H . 25512 1 1331 . 2 2 98 98 VAL HA H 1 4.461 0.003 . 1 . . . . . 247 VAL HA . 25512 1 1332 . 2 2 98 98 VAL HB H 1 1.956 0.005 . 1 . . . . . 247 VAL HB . 25512 1 1333 . 2 2 98 98 VAL HG11 H 1 0.973 0.002 . 2 . . . . . 247 VAL QG1 . 25512 1 1334 . 2 2 98 98 VAL HG12 H 1 0.973 0.002 . 2 . . . . . 247 VAL QG1 . 25512 1 1335 . 2 2 98 98 VAL HG13 H 1 0.973 0.002 . 2 . . . . . 247 VAL QG1 . 25512 1 1336 . 2 2 98 98 VAL HG21 H 1 0.850 0.003 . 2 . . . . . 247 VAL QG2 . 25512 1 1337 . 2 2 98 98 VAL HG22 H 1 0.850 0.003 . 2 . . . . . 247 VAL QG2 . 25512 1 1338 . 2 2 98 98 VAL HG23 H 1 0.850 0.003 . 2 . . . . . 247 VAL QG2 . 25512 1 1339 . 2 2 98 98 VAL C C 13 174.153 0.000 . 1 . . . . . 247 VAL C . 25512 1 1340 . 2 2 98 98 VAL CA C 13 61.138 0.029 . 1 . . . . . 247 VAL CA . 25512 1 1341 . 2 2 98 98 VAL CB C 13 35.453 0.066 . 1 . . . . . 247 VAL CB . 25512 1 1342 . 2 2 98 98 VAL CG1 C 13 21.035 0.047 . 2 . . . . . 247 VAL CG1 . 25512 1 1343 . 2 2 98 98 VAL CG2 C 13 20.897 0.007 . 2 . . . . . 247 VAL CG2 . 25512 1 1344 . 2 2 98 98 VAL N N 15 130.273 0.029 . 1 . . . . . 247 VAL N . 25512 1 1345 . 2 2 99 99 GLY H H 1 9.040 0.002 . 1 . . . . . 248 GLY H . 25512 1 1346 . 2 2 99 99 GLY HA2 H 1 1.934 0.004 . 2 . . . . . 248 GLY HA2 . 25512 1 1347 . 2 2 99 99 GLY HA3 H 1 4.525 0.003 . 2 . . . . . 248 GLY HA3 . 25512 1 1348 . 2 2 99 99 GLY C C 13 172.203 0.000 . 1 . . . . . 248 GLY C . 25512 1 1349 . 2 2 99 99 GLY CA C 13 43.921 0.030 . 1 . . . . . 248 GLY CA . 25512 1 1350 . 2 2 99 99 GLY N N 15 115.143 0.019 . 1 . . . . . 248 GLY N . 25512 1 1351 . 2 2 100 100 LEU H H 1 9.614 0.002 . 1 . . . . . 249 LEU H . 25512 1 1352 . 2 2 100 100 LEU HA H 1 5.940 0.002 . 1 . . . . . 249 LEU HA . 25512 1 1353 . 2 2 100 100 LEU HB2 H 1 2.079 0.002 . 2 . . . . . 249 LEU HB2 . 25512 1 1354 . 2 2 100 100 LEU HB3 H 1 1.370 0.003 . 2 . . . . . 249 LEU HB3 . 25512 1 1355 . 2 2 100 100 LEU HG H 1 1.676 0.003 . 1 . . . . . 249 LEU HG . 25512 1 1356 . 2 2 100 100 LEU HD11 H 1 1.023 0.001 . 2 . . . . . 249 LEU QD1 . 25512 1 1357 . 2 2 100 100 LEU HD12 H 1 1.023 0.001 . 2 . . . . . 249 LEU QD1 . 25512 1 1358 . 2 2 100 100 LEU HD13 H 1 1.023 0.001 . 2 . . . . . 249 LEU QD1 . 25512 1 1359 . 2 2 100 100 LEU HD21 H 1 0.828 0.005 . 2 . . . . . 249 LEU QD2 . 25512 1 1360 . 2 2 100 100 LEU HD22 H 1 0.828 0.005 . 2 . . . . . 249 LEU QD2 . 25512 1 1361 . 2 2 100 100 LEU HD23 H 1 0.828 0.005 . 2 . . . . . 249 LEU QD2 . 25512 1 1362 . 2 2 100 100 LEU C C 13 175.093 0.000 . 1 . . . . . 249 LEU C . 25512 1 1363 . 2 2 100 100 LEU CA C 13 53.405 0.026 . 1 . . . . . 249 LEU CA . 25512 1 1364 . 2 2 100 100 LEU CB C 13 46.170 0.034 . 1 . . . . . 249 LEU CB . 25512 1 1365 . 2 2 100 100 LEU CD1 C 13 25.144 0.018 . 2 . . . . . 249 LEU CD1 . 25512 1 1366 . 2 2 100 100 LEU CD2 C 13 26.235 0.025 . 2 . . . . . 249 LEU CD2 . 25512 1 1367 . 2 2 100 100 LEU N N 15 121.935 0.020 . 1 . . . . . 249 LEU N . 25512 1 1368 . 2 2 101 101 ARG H H 1 9.253 0.002 . 1 . . . . . 250 ARG H . 25512 1 1369 . 2 2 101 101 ARG HA H 1 4.567 0.002 . 1 . . . . . 250 ARG HA . 25512 1 1370 . 2 2 101 101 ARG HB2 H 1 0.585 0.006 . 2 . . . . . 250 ARG HB2 . 25512 1 1371 . 2 2 101 101 ARG HB3 H 1 1.065 0.005 . 2 . . . . . 250 ARG HB3 . 25512 1 1372 . 2 2 101 101 ARG HG2 H 1 0.605 0.006 . 2 . . . . . 250 ARG HG2 . 25512 1 1373 . 2 2 101 101 ARG HG3 H 1 0.750 0.004 . 2 . . . . . 250 ARG HG3 . 25512 1 1374 . 2 2 101 101 ARG HD2 H 1 1.688 0.002 . 2 . . . . . 250 ARG HD2 . 25512 1 1375 . 2 2 101 101 ARG HD3 H 1 2.731 0.002 . 2 . . . . . 250 ARG HD3 . 25512 1 1376 . 2 2 101 101 ARG HE H 1 6.367 0.001 . 1 . . . . . 250 ARG HE . 25512 1 1377 . 2 2 101 101 ARG C C 13 173.578 0.000 . 1 . . . . . 250 ARG C . 25512 1 1378 . 2 2 101 101 ARG CA C 13 53.975 0.025 . 1 . . . . . 250 ARG CA . 25512 1 1379 . 2 2 101 101 ARG CB C 13 35.185 0.038 . 1 . . . . . 250 ARG CB . 25512 1 1380 . 2 2 101 101 ARG CG C 13 25.445 0.030 . 1 . . . . . 250 ARG CG . 25512 1 1381 . 2 2 101 101 ARG CD C 13 43.975 0.045 . 1 . . . . . 250 ARG CD . 25512 1 1382 . 2 2 101 101 ARG CZ C 13 159.242 0.000 . 1 . . . . . 250 ARG CZ . 25512 1 1383 . 2 2 101 101 ARG N N 15 122.035 0.018 . 1 . . . . . 250 ARG N . 25512 1 1384 . 2 2 101 101 ARG NE N 15 82.240 0.013 . 1 . . . . . 250 ARG NE . 25512 1 1385 . 2 2 102 102 ARG H H 1 7.610 0.002 . 1 . . . . . 251 ARG H . 25512 1 1386 . 2 2 102 102 ARG HA H 1 3.341 0.003 . 1 . . . . . 251 ARG HA . 25512 1 1387 . 2 2 102 102 ARG HB2 H 1 1.440 0.006 . 2 . . . . . 251 ARG HB2 . 25512 1 1388 . 2 2 102 102 ARG HB3 H 1 1.685 0.002 . 2 . . . . . 251 ARG HB3 . 25512 1 1389 . 2 2 102 102 ARG HG2 H 1 0.786 0.003 . 2 . . . . . 251 ARG HG2 . 25512 1 1390 . 2 2 102 102 ARG HG3 H 1 1.142 0.004 . 2 . . . . . 251 ARG HG3 . 25512 1 1391 . 2 2 102 102 ARG HD2 H 1 2.936 0.009 . 2 . . . . . 251 ARG HD2 . 25512 1 1392 . 2 2 102 102 ARG HD3 H 1 2.875 0.006 . 2 . . . . . 251 ARG HD3 . 25512 1 1393 . 2 2 102 102 ARG HE H 1 7.764 0.001 . 1 . . . . . 251 ARG HE . 25512 1 1394 . 2 2 102 102 ARG C C 13 175.935 0.000 . 1 . . . . . 251 ARG C . 25512 1 1395 . 2 2 102 102 ARG CA C 13 54.847 0.043 . 1 . . . . . 251 ARG CA . 25512 1 1396 . 2 2 102 102 ARG CB C 13 30.648 0.065 . 1 . . . . . 251 ARG CB . 25512 1 1397 . 2 2 102 102 ARG CG C 13 28.987 0.048 . 1 . . . . . 251 ARG CG . 25512 1 1398 . 2 2 102 102 ARG CD C 13 43.480 0.044 . 1 . . . . . 251 ARG CD . 25512 1 1399 . 2 2 102 102 ARG CZ C 13 159.090 0.000 . 1 . . . . . 251 ARG CZ . 25512 1 1400 . 2 2 102 102 ARG N N 15 127.215 0.033 . 1 . . . . . 251 ARG N . 25512 1 1401 . 2 2 102 102 ARG NE N 15 87.121 0.011 . 1 . . . . . 251 ARG NE . 25512 1 1402 . 2 2 103 103 ASN H H 1 8.412 0.003 . 1 . . . . . 252 ASN H . 25512 1 1403 . 2 2 103 103 ASN HA H 1 4.346 0.002 . 1 . . . . . 252 ASN HA . 25512 1 1404 . 2 2 103 103 ASN HB2 H 1 2.526 0.003 . 2 . . . . . 252 ASN HB2 . 25512 1 1405 . 2 2 103 103 ASN HB3 H 1 2.432 0.004 . 2 . . . . . 252 ASN HB3 . 25512 1 1406 . 2 2 103 103 ASN HD21 H 1 7.476 0.005 . 2 . . . . . 252 ASN HD21 . 25512 1 1407 . 2 2 103 103 ASN HD22 H 1 6.924 0.004 . 2 . . . . . 252 ASN HD22 . 25512 1 1408 . 2 2 103 103 ASN C C 13 175.816 0.000 . 1 . . . . . 252 ASN C . 25512 1 1409 . 2 2 103 103 ASN CA C 13 54.534 0.027 . 1 . . . . . 252 ASN CA . 25512 1 1410 . 2 2 103 103 ASN CB C 13 38.115 0.050 . 1 . . . . . 252 ASN CB . 25512 1 1411 . 2 2 103 103 ASN CG C 13 175.154 0.011 . 1 . . . . . 252 ASN CG . 25512 1 1412 . 2 2 103 103 ASN N N 15 128.475 0.023 . 1 . . . . . 252 ASN N . 25512 1 1413 . 2 2 103 103 ASN ND2 N 15 114.812 0.031 . 1 . . . . . 252 ASN ND2 . 25512 1 1414 . 2 2 104 104 LYS H H 1 8.277 0.002 . 1 . . . . . 253 LYS H . 25512 1 1415 . 2 2 104 104 LYS HA H 1 4.195 0.003 . 1 . . . . . 253 LYS HA . 25512 1 1416 . 2 2 104 104 LYS HB2 H 1 1.701 0.004 . 2 . . . . . 253 LYS HB2 . 25512 1 1417 . 2 2 104 104 LYS HB3 H 1 1.668 0.002 . 2 . . . . . 253 LYS HB3 . 25512 1 1418 . 2 2 104 104 LYS HG2 H 1 1.342 0.002 . 2 . . . . . 253 LYS HG2 . 25512 1 1419 . 2 2 104 104 LYS HG3 H 1 1.344 0.003 . 2 . . . . . 253 LYS HG3 . 25512 1 1420 . 2 2 104 104 LYS HD2 H 1 1.591 0.004 . 1 . . . . . 253 LYS HD2 . 25512 1 1421 . 2 2 104 104 LYS HD3 H 1 1.591 0.004 . 1 . . . . . 253 LYS HD3 . 25512 1 1422 . 2 2 104 104 LYS HE2 H 1 2.885 0.001 . 2 . . . . . 253 LYS HE2 . 25512 1 1423 . 2 2 104 104 LYS HE3 H 1 2.919 0.005 . 2 . . . . . 253 LYS HE3 . 25512 1 1424 . 2 2 104 104 LYS C C 13 175.879 0.000 . 1 . . . . . 253 LYS C . 25512 1 1425 . 2 2 104 104 LYS CA C 13 56.499 0.027 . 1 . . . . . 253 LYS CA . 25512 1 1426 . 2 2 104 104 LYS CB C 13 33.390 0.026 . 1 . . . . . 253 LYS CB . 25512 1 1427 . 2 2 104 104 LYS CG C 13 24.689 0.032 . 1 . . . . . 253 LYS CG . 25512 1 1428 . 2 2 104 104 LYS CD C 13 29.250 0.043 . 1 . . . . . 253 LYS CD . 25512 1 1429 . 2 2 104 104 LYS CE C 13 42.175 0.030 . 1 . . . . . 253 LYS CE . 25512 1 1430 . 2 2 104 104 LYS N N 15 122.549 0.014 . 1 . . . . . 253 LYS N . 25512 1 1431 . 2 2 105 105 GLN H H 1 8.396 0.007 . 1 . . . . . 254 GLN H . 25512 1 1432 . 2 2 105 105 GLN HA H 1 4.319 0.002 . 1 . . . . . 254 GLN HA . 25512 1 1433 . 2 2 105 105 GLN HB2 H 1 2.103 0.004 . 2 . . . . . 254 GLN HB2 . 25512 1 1434 . 2 2 105 105 GLN HB3 H 1 1.984 0.005 . 2 . . . . . 254 GLN HB3 . 25512 1 1435 . 2 2 105 105 GLN HG2 H 1 2.401 0.002 . 1 . . . . . 254 GLN HG2 . 25512 1 1436 . 2 2 105 105 GLN HG3 H 1 2.401 0.002 . 1 . . . . . 254 GLN HG3 . 25512 1 1437 . 2 2 105 105 GLN C C 13 175.160 0.000 . 1 . . . . . 254 GLN C . 25512 1 1438 . 2 2 105 105 GLN CA C 13 56.318 0.026 . 1 . . . . . 254 GLN CA . 25512 1 1439 . 2 2 105 105 GLN CB C 13 29.654 0.044 . 1 . . . . . 254 GLN CB . 25512 1 1440 . 2 2 105 105 GLN CG C 13 34.086 0.068 . 1 . . . . . 254 GLN CG . 25512 1 1441 . 2 2 105 105 GLN N N 15 123.791 0.191 . 1 . . . . . 254 GLN N . 25512 1 1442 . 2 2 106 106 LYS H H 1 8.023 0.001 . 1 . . . . . 255 LYS H . 25512 1 1443 . 2 2 106 106 LYS CA C 13 57.983 0.000 . 1 . . . . . 255 LYS CA . 25512 1 1444 . 2 2 106 106 LYS N N 15 128.254 0.013 . 1 . . . . . 255 LYS N . 25512 1 stop_ save_