data_36181 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 36181 _Entry.Title ; Solution structure of peptidyl-prolyl cis/trans isomerase domain of Trigger Factor in complex with MBP ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-04-21 _Entry.Accession_date 2018-06-13 _Entry.Last_release_date 2018-06-13 _Entry.Original_release_date 2018-06-13 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.2.0.16 _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 . _Entry.BMRB_internal_directory_name . loop_ _Entry_experimental_methods.ID _Entry_experimental_methods.Method _Entry_experimental_methods.Subtype _Entry_experimental_methods.Entry_ID 1 'SOLUTION NMR' 'SOLUTION NMR' 36181 stop_ 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 S. Kawagoe S. . . . 36181 2 H. Nakagawa H. . . . 36181 3 H. Kumeta H. . . . 36181 4 K. Ishimori K. . . . 36181 5 T. Saio T. . . . 36181 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID CHAPERONE . 36181 'Molecular Chaperone' . 36181 'Peptidyl-prolyl isomerases' . 36181 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 36181 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 391 36181 '15N chemical shifts' 119 36181 '1H chemical shifts' 765 36181 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 . . 2019-03-06 2018-04-21 update BMRB 'update entry citation' 36181 1 . . 2018-09-04 2018-04-21 original author 'original release' 36181 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5ZR0 'BMRB Entry Tracking System' 36181 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 36181 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 0.1074/jbc.RA118.003579 _Citation.PubMed_ID 30093407 _Citation.Full_citation . _Citation.Title ; Structural insight into proline cis/trans isomerization of unfolded proteins catalyzed by the Trigger Factor chaperone ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 293 _Citation.Journal_issue 39 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1083-351X _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 15095 _Citation.Page_last 15106 _Citation.Year 2018 _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 Soichiro Kawagoe S. . . . 36181 1 2 Hiroshi Nakagawa H. . . . 36181 1 3 Hiroyuki Kumeta H. . . . 36181 1 4 Koichiro Ishimori K. . . . 36181 1 5 Tomohide Saio T. . . . 36181 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 36181 _Assembly.ID 1 _Assembly.Name 'Maltose-binding periplasmic protein,Trigger factor (E.C.5.2.1.8)' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A A yes . . . . . . 36181 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 36181 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Maltose-binding periplasmic protein,Trigger factor' _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 ; GIAEAAFNKGETAMTINGPW AWSNIDTSKVGSGSGSGSGS QATWKEKDGAVEAEDRVTID FTGSVDGEEFEGGKASDFVL AMGQGRMIPGFEDGIKGHKA GEEFTIDVTFPEEYHAENLK GKAAKFAINLKKVEERELPE LT ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 142 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number 5.2.1.8 _Entity.Calc_isoelectric_point . _Entity.Formula_weight 15134.620 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID MBP na 36181 1 MMBP na 36181 1 'Maltodextrin-binding protein' na 36181 1 PPIase na 36181 1 TF na 36181 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 1 108 GLY . 36181 1 2 109 ILE . 36181 1 3 110 ALA . 36181 1 4 111 GLU . 36181 1 5 112 ALA . 36181 1 6 113 ALA . 36181 1 7 114 PHE . 36181 1 8 115 ASN . 36181 1 9 116 LYS . 36181 1 10 117 GLY . 36181 1 11 118 GLU . 36181 1 12 119 THR . 36181 1 13 120 ALA . 36181 1 14 121 MET . 36181 1 15 122 THR . 36181 1 16 123 ILE . 36181 1 17 124 ASN . 36181 1 18 125 GLY . 36181 1 19 126 PRO . 36181 1 20 127 TRP . 36181 1 21 128 ALA . 36181 1 22 129 TRP . 36181 1 23 130 SER . 36181 1 24 131 ASN . 36181 1 25 132 ILE . 36181 1 26 133 ASP . 36181 1 27 134 THR . 36181 1 28 135 SER . 36181 1 29 136 LYS . 36181 1 30 137 VAL . 36181 1 31 138 GLY . 36181 1 32 139 SER . 36181 1 33 140 GLY . 36181 1 34 141 SER . 36181 1 35 142 GLY . 36181 1 36 143 SER . 36181 1 37 144 GLY . 36181 1 38 145 SER . 36181 1 39 146 GLY . 36181 1 40 147 SER . 36181 1 41 148 GLN . 36181 1 42 149 ALA . 36181 1 43 150 THR . 36181 1 44 151 TRP . 36181 1 45 152 LYS . 36181 1 46 153 GLU . 36181 1 47 154 LYS . 36181 1 48 155 ASP . 36181 1 49 156 GLY . 36181 1 50 157 ALA . 36181 1 51 158 VAL . 36181 1 52 159 GLU . 36181 1 53 160 ALA . 36181 1 54 161 GLU . 36181 1 55 162 ASP . 36181 1 56 163 ARG . 36181 1 57 164 VAL . 36181 1 58 165 THR . 36181 1 59 166 ILE . 36181 1 60 167 ASP . 36181 1 61 168 PHE . 36181 1 62 169 THR . 36181 1 63 170 GLY . 36181 1 64 171 SER . 36181 1 65 172 VAL . 36181 1 66 173 ASP . 36181 1 67 174 GLY . 36181 1 68 175 GLU . 36181 1 69 176 GLU . 36181 1 70 177 PHE . 36181 1 71 178 GLU . 36181 1 72 179 GLY . 36181 1 73 180 GLY . 36181 1 74 181 LYS . 36181 1 75 182 ALA . 36181 1 76 183 SER . 36181 1 77 184 ASP . 36181 1 78 185 PHE . 36181 1 79 186 VAL . 36181 1 80 187 LEU . 36181 1 81 188 ALA . 36181 1 82 189 MET . 36181 1 83 190 GLY . 36181 1 84 191 GLN . 36181 1 85 192 GLY . 36181 1 86 193 ARG . 36181 1 87 194 MET . 36181 1 88 195 ILE . 36181 1 89 196 PRO . 36181 1 90 197 GLY . 36181 1 91 198 PHE . 36181 1 92 199 GLU . 36181 1 93 200 ASP . 36181 1 94 201 GLY . 36181 1 95 202 ILE . 36181 1 96 203 LYS . 36181 1 97 204 GLY . 36181 1 98 205 HIS . 36181 1 99 206 LYS . 36181 1 100 207 ALA . 36181 1 101 208 GLY . 36181 1 102 209 GLU . 36181 1 103 210 GLU . 36181 1 104 211 PHE . 36181 1 105 212 THR . 36181 1 106 213 ILE . 36181 1 107 214 ASP . 36181 1 108 215 VAL . 36181 1 109 216 THR . 36181 1 110 217 PHE . 36181 1 111 218 PRO . 36181 1 112 219 GLU . 36181 1 113 220 GLU . 36181 1 114 221 TYR . 36181 1 115 222 HIS . 36181 1 116 223 ALA . 36181 1 117 224 GLU . 36181 1 118 225 ASN . 36181 1 119 226 LEU . 36181 1 120 227 LYS . 36181 1 121 228 GLY . 36181 1 122 229 LYS . 36181 1 123 230 ALA . 36181 1 124 231 ALA . 36181 1 125 232 LYS . 36181 1 126 233 PHE . 36181 1 127 234 ALA . 36181 1 128 235 ILE . 36181 1 129 236 ASN . 36181 1 130 237 LEU . 36181 1 131 238 LYS . 36181 1 132 239 LYS . 36181 1 133 240 VAL . 36181 1 134 241 GLU . 36181 1 135 242 GLU . 36181 1 136 243 ARG . 36181 1 137 244 GLU . 36181 1 138 245 LEU . 36181 1 139 246 PRO . 36181 1 140 247 GLU . 36181 1 141 248 LEU . 36181 1 142 249 THR . 36181 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 36181 1 . ILE 2 2 36181 1 . ALA 3 3 36181 1 . GLU 4 4 36181 1 . ALA 5 5 36181 1 . ALA 6 6 36181 1 . PHE 7 7 36181 1 . ASN 8 8 36181 1 . LYS 9 9 36181 1 . GLY 10 10 36181 1 . GLU 11 11 36181 1 . THR 12 12 36181 1 . ALA 13 13 36181 1 . MET 14 14 36181 1 . THR 15 15 36181 1 . ILE 16 16 36181 1 . ASN 17 17 36181 1 . GLY 18 18 36181 1 . PRO 19 19 36181 1 . TRP 20 20 36181 1 . ALA 21 21 36181 1 . TRP 22 22 36181 1 . SER 23 23 36181 1 . ASN 24 24 36181 1 . ILE 25 25 36181 1 . ASP 26 26 36181 1 . THR 27 27 36181 1 . SER 28 28 36181 1 . LYS 29 29 36181 1 . VAL 30 30 36181 1 . GLY 31 31 36181 1 . SER 32 32 36181 1 . GLY 33 33 36181 1 . SER 34 34 36181 1 . GLY 35 35 36181 1 . SER 36 36 36181 1 . GLY 37 37 36181 1 . SER 38 38 36181 1 . GLY 39 39 36181 1 . SER 40 40 36181 1 . GLN 41 41 36181 1 . ALA 42 42 36181 1 . THR 43 43 36181 1 . TRP 44 44 36181 1 . LYS 45 45 36181 1 . GLU 46 46 36181 1 . LYS 47 47 36181 1 . ASP 48 48 36181 1 . GLY 49 49 36181 1 . ALA 50 50 36181 1 . VAL 51 51 36181 1 . GLU 52 52 36181 1 . ALA 53 53 36181 1 . GLU 54 54 36181 1 . ASP 55 55 36181 1 . ARG 56 56 36181 1 . VAL 57 57 36181 1 . THR 58 58 36181 1 . ILE 59 59 36181 1 . ASP 60 60 36181 1 . PHE 61 61 36181 1 . THR 62 62 36181 1 . GLY 63 63 36181 1 . SER 64 64 36181 1 . VAL 65 65 36181 1 . ASP 66 66 36181 1 . GLY 67 67 36181 1 . GLU 68 68 36181 1 . GLU 69 69 36181 1 . PHE 70 70 36181 1 . GLU 71 71 36181 1 . GLY 72 72 36181 1 . GLY 73 73 36181 1 . LYS 74 74 36181 1 . ALA 75 75 36181 1 . SER 76 76 36181 1 . ASP 77 77 36181 1 . PHE 78 78 36181 1 . VAL 79 79 36181 1 . LEU 80 80 36181 1 . ALA 81 81 36181 1 . MET 82 82 36181 1 . GLY 83 83 36181 1 . GLN 84 84 36181 1 . GLY 85 85 36181 1 . ARG 86 86 36181 1 . MET 87 87 36181 1 . ILE 88 88 36181 1 . PRO 89 89 36181 1 . GLY 90 90 36181 1 . PHE 91 91 36181 1 . GLU 92 92 36181 1 . ASP 93 93 36181 1 . GLY 94 94 36181 1 . ILE 95 95 36181 1 . LYS 96 96 36181 1 . GLY 97 97 36181 1 . HIS 98 98 36181 1 . LYS 99 99 36181 1 . ALA 100 100 36181 1 . GLY 101 101 36181 1 . GLU 102 102 36181 1 . GLU 103 103 36181 1 . PHE 104 104 36181 1 . THR 105 105 36181 1 . ILE 106 106 36181 1 . ASP 107 107 36181 1 . VAL 108 108 36181 1 . THR 109 109 36181 1 . PHE 110 110 36181 1 . PRO 111 111 36181 1 . GLU 112 112 36181 1 . GLU 113 113 36181 1 . TYR 114 114 36181 1 . HIS 115 115 36181 1 . ALA 116 116 36181 1 . GLU 117 117 36181 1 . ASN 118 118 36181 1 . LEU 119 119 36181 1 . LYS 120 120 36181 1 . GLY 121 121 36181 1 . LYS 122 122 36181 1 . ALA 123 123 36181 1 . ALA 124 124 36181 1 . LYS 125 125 36181 1 . PHE 126 126 36181 1 . ALA 127 127 36181 1 . ILE 128 128 36181 1 . ASN 129 129 36181 1 . LEU 130 130 36181 1 . LYS 131 131 36181 1 . LYS 132 132 36181 1 . VAL 133 133 36181 1 . GLU 134 134 36181 1 . GLU 135 135 36181 1 . ARG 136 136 36181 1 . GLU 137 137 36181 1 . LEU 138 138 36181 1 . PRO 139 139 36181 1 . GLU 140 140 36181 1 . LEU 141 141 36181 1 . THR 142 142 36181 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 36181 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 83333 organism . 'Escherichia coli K-12' 'Escherichia coli K-12' . . Bacteria . Escherichia coli K12 . . . . . . . . . . 'malE, b4034, JW3994' . 36181 1 2 1 $entity_1 . 595496 organism . 'Escherichia coli K-12' 'Escherichia coli K-12' . . Bacteria . Escherichia coli K12 . . . . . . . . . . 'tig, BWG_0318' . 36181 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 36181 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . . . . . 36181 1 2 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . . . . . 36181 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 36181 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 mM [U-99% 13C; U-99% 15N] MBP238-266-PPD fusion, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'MBP238-266-PPD fusion' '[U-99% 13C; U-99% 15N]' 1 $assembly 1 $entity_1 . protein 1 . . mM . . . . 36181 1 2 KPi 'natural abundance' . . . . . buffer 20 . . mM . . . . 36181 1 3 KCl 'natural abundance' . . . . . salt 100 . . mM . . . . 36181 1 4 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 36181 1 5 D2O [U-2H] . . . . . solvent 10 . . % . . . . 36181 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 36181 _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' 100 . mM 36181 1 pH 7.0 . pH 36181 1 pressure 1 . atm 36181 1 temperature 295 . K 36181 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 36181 _Software.ID 1 _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' . . 36181 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 36181 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 36181 _Software.ID 2 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 36181 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 36181 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 36181 _Software.ID 3 _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' . . 36181 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 36181 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 36181 _Software.ID 4 _Software.Type . _Software.Name OLIVIA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Masashi Yokochi' . . 36181 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 36181 4 'data analysis' 36181 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 36181 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model UNITY _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 36181 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model UNITY _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 36181 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Varian UNITY . 800 . . . 36181 1 2 NMR_spectrometer_2 Varian UNITY . 600 . . . 36181 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 36181 _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 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36181 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36181 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36181 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 36181 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 36181 1 6 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 36181 1 7 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 36181 1 8 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 36181 1 9 '3D HNCAHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 36181 1 10 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 36181 1 11 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36181 1 12 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36181 1 13 '2D HBCBCGCDHD' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 36181 1 14 '2D HBCBCGCDCEHE' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 36181 1 15 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36181 1 16 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36181 1 17 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36181 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 36181 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.251449530 . . . . . 36181 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 36181 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.101329118 . . . . . 36181 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 36181 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' 1 $sample_1 isotropic 36181 1 2 '2D 1H-13C HSQC aliphatic' 1 $sample_1 isotropic 36181 1 3 '2D 1H-13C HSQC aromatic' 1 $sample_1 isotropic 36181 1 4 '3D HNCA' 1 $sample_1 isotropic 36181 1 5 '3D HNCACB' 1 $sample_1 isotropic 36181 1 6 '3D HNCO' 1 $sample_1 isotropic 36181 1 7 '3D HN(CO)CA' 1 $sample_1 isotropic 36181 1 8 '3D CBCA(CO)NH' 1 $sample_1 isotropic 36181 1 9 '3D HNCAHA' 1 $sample_1 isotropic 36181 1 10 '3D HBHA(CO)NH' 1 $sample_1 isotropic 36181 1 11 '3D HCCH-TOCSY' 1 $sample_1 isotropic 36181 1 12 '3D HCCH-TOCSY' 1 $sample_1 isotropic 36181 1 13 '2D HBCBCGCDHD' 1 $sample_1 isotropic 36181 1 14 '2D HBCBCGCDCEHE' 1 $sample_1 isotropic 36181 1 15 '3D 1H-15N NOESY' 1 $sample_1 isotropic 36181 1 16 '3D 1H-13C NOESY aliphatic' 1 $sample_1 isotropic 36181 1 17 '3D 1H-13C NOESY aromatic' 1 $sample_1 isotropic 36181 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 2 2 ILE HA H 1 4.188 0.000 . 1 . . . . A 109 ILE HA . 36181 1 2 . 1 1 2 2 ILE HB H 1 1.863 0.000 . 1 . . . . A 109 ILE HB . 36181 1 3 . 1 1 2 2 ILE HG12 H 1 1.466 0.000 . 1 . . . . A 109 ILE HG12 . 36181 1 4 . 1 1 2 2 ILE HG21 H 1 0.933 0.000 . 1 . . . . A 109 ILE HG21 . 36181 1 5 . 1 1 2 2 ILE HG22 H 1 0.933 0.000 . 1 . . . . A 109 ILE HG22 . 36181 1 6 . 1 1 2 2 ILE HG23 H 1 0.933 0.000 . 1 . . . . A 109 ILE HG23 . 36181 1 7 . 1 1 2 2 ILE HD11 H 1 0.870 0.000 . 1 . . . . A 109 ILE HD11 . 36181 1 8 . 1 1 2 2 ILE HD12 H 1 0.870 0.000 . 1 . . . . A 109 ILE HD12 . 36181 1 9 . 1 1 2 2 ILE HD13 H 1 0.870 0.000 . 1 . . . . A 109 ILE HD13 . 36181 1 10 . 1 1 2 2 ILE CA C 13 61.681 0.000 . 1 . . . . A 109 ILE CA . 36181 1 11 . 1 1 2 2 ILE CB C 13 38.929 0.000 . 1 . . . . A 109 ILE CB . 36181 1 12 . 1 1 2 2 ILE CG1 C 13 27.313 0.000 . 1 . . . . A 109 ILE CG1 . 36181 1 13 . 1 1 2 2 ILE CG2 C 13 17.560 0.000 . 1 . . . . A 109 ILE CG2 . 36181 1 14 . 1 1 2 2 ILE CD1 C 13 13.184 0.000 . 1 . . . . A 109 ILE CD1 . 36181 1 15 . 1 1 3 3 ALA H H 1 8.511 0.000 . 1 . . . . A 110 ALA H . 36181 1 16 . 1 1 3 3 ALA HA H 1 4.282 0.000 . 1 . . . . A 110 ALA HA . 36181 1 17 . 1 1 3 3 ALA HB1 H 1 1.386 0.000 . 1 . . . . A 110 ALA HB1 . 36181 1 18 . 1 1 3 3 ALA HB2 H 1 1.386 0.000 . 1 . . . . A 110 ALA HB2 . 36181 1 19 . 1 1 3 3 ALA HB3 H 1 1.386 0.000 . 1 . . . . A 110 ALA HB3 . 36181 1 20 . 1 1 3 3 ALA CA C 13 52.862 0.000 . 1 . . . . A 110 ALA CA . 36181 1 21 . 1 1 3 3 ALA CB C 13 19.071 0.000 . 1 . . . . A 110 ALA CB . 36181 1 22 . 1 1 3 3 ALA N N 15 127.240 0.000 . 1 . . . . A 110 ALA N . 36181 1 23 . 1 1 4 4 GLU H H 1 8.307 0.000 . 1 . . . . A 111 GLU H . 36181 1 24 . 1 1 4 4 GLU HA H 1 4.184 0.000 . 1 . . . . A 111 GLU HA . 36181 1 25 . 1 1 4 4 GLU HB2 H 1 2.030 0.028 . 1 . . . . A 111 GLU HB2 . 36181 1 26 . 1 1 4 4 GLU HB3 H 1 1.967 0.000 . 1 . . . . A 111 GLU HB3 . 36181 1 27 . 1 1 4 4 GLU HG2 H 1 2.273 0.000 . 2 . . . . A 111 GLU HG2 . 36181 1 28 . 1 1 4 4 GLU HG3 H 1 2.273 0.000 . 2 . . . . A 111 GLU HG3 . 36181 1 29 . 1 1 4 4 GLU CA C 13 57.042 0.000 . 1 . . . . A 111 GLU CA . 36181 1 30 . 1 1 4 4 GLU CB C 13 30.168 0.009 . 1 . . . . A 111 GLU CB . 36181 1 31 . 1 1 4 4 GLU CG C 13 36.450 0.000 . 1 . . . . A 111 GLU CG . 36181 1 32 . 1 1 4 4 GLU N N 15 120.077 0.000 . 1 . . . . A 111 GLU N . 36181 1 33 . 1 1 5 5 ALA H H 1 8.274 0.000 . 1 . . . . A 112 ALA H . 36181 1 34 . 1 1 5 5 ALA HA H 1 4.246 0.000 . 1 . . . . A 112 ALA HA . 36181 1 35 . 1 1 5 5 ALA HB1 H 1 1.345 0.000 . 1 . . . . A 112 ALA HB1 . 36181 1 36 . 1 1 5 5 ALA HB2 H 1 1.345 0.000 . 1 . . . . A 112 ALA HB2 . 36181 1 37 . 1 1 5 5 ALA HB3 H 1 1.345 0.000 . 1 . . . . A 112 ALA HB3 . 36181 1 38 . 1 1 5 5 ALA CA C 13 52.632 0.000 . 1 . . . . A 112 ALA CA . 36181 1 39 . 1 1 5 5 ALA CB C 13 19.160 0.000 . 1 . . . . A 112 ALA CB . 36181 1 40 . 1 1 5 5 ALA N N 15 124.176 0.000 . 1 . . . . A 112 ALA N . 36181 1 41 . 1 1 6 6 ALA H H 1 8.135 0.000 . 1 . . . . A 113 ALA H . 36181 1 42 . 1 1 6 6 ALA HA H 1 4.257 0.000 . 1 . . . . A 113 ALA HA . 36181 1 43 . 1 1 6 6 ALA HB1 H 1 1.292 0.000 . 1 . . . . A 113 ALA HB1 . 36181 1 44 . 1 1 6 6 ALA HB2 H 1 1.292 0.000 . 1 . . . . A 113 ALA HB2 . 36181 1 45 . 1 1 6 6 ALA HB3 H 1 1.292 0.000 . 1 . . . . A 113 ALA HB3 . 36181 1 46 . 1 1 6 6 ALA CA C 13 52.594 0.000 . 1 . . . . A 113 ALA CA . 36181 1 47 . 1 1 6 6 ALA CB C 13 19.246 0.000 . 1 . . . . A 113 ALA CB . 36181 1 48 . 1 1 6 6 ALA N N 15 122.397 0.000 . 1 . . . . A 113 ALA N . 36181 1 49 . 1 1 7 7 PHE H H 1 8.047 0.000 . 1 . . . . A 114 PHE H . 36181 1 50 . 1 1 7 7 PHE HA H 1 4.585 0.000 . 1 . . . . A 114 PHE HA . 36181 1 51 . 1 1 7 7 PHE HB2 H 1 3.132 0.000 . 1 . . . . A 114 PHE HB2 . 36181 1 52 . 1 1 7 7 PHE HB3 H 1 3.030 0.000 . 1 . . . . A 114 PHE HB3 . 36181 1 53 . 1 1 7 7 PHE HD1 H 1 7.229 0.003 . 3 . . . . A 114 PHE HD1 . 36181 1 54 . 1 1 7 7 PHE HD2 H 1 7.229 0.003 . 3 . . . . A 114 PHE HD2 . 36181 1 55 . 1 1 7 7 PHE HE1 H 1 7.323 0.013 . 3 . . . . A 114 PHE HE1 . 36181 1 56 . 1 1 7 7 PHE HE2 H 1 7.323 0.013 . 3 . . . . A 114 PHE HE2 . 36181 1 57 . 1 1 7 7 PHE CA C 13 57.711 0.000 . 1 . . . . A 114 PHE CA . 36181 1 58 . 1 1 7 7 PHE CB C 13 39.607 0.034 . 1 . . . . A 114 PHE CB . 36181 1 59 . 1 1 7 7 PHE CD1 C 13 132.114 0.000 . 3 . . . . A 114 PHE CD1 . 36181 1 60 . 1 1 7 7 PHE CD2 C 13 132.114 0.000 . 3 . . . . A 114 PHE CD2 . 36181 1 61 . 1 1 7 7 PHE CE1 C 13 131.352 0.000 . 3 . . . . A 114 PHE CE1 . 36181 1 62 . 1 1 7 7 PHE CE2 C 13 131.352 0.000 . 3 . . . . A 114 PHE CE2 . 36181 1 63 . 1 1 7 7 PHE N N 15 118.821 0.000 . 1 . . . . A 114 PHE N . 36181 1 64 . 1 1 8 8 ASN H H 1 8.355 0.000 . 1 . . . . A 115 ASN H . 36181 1 65 . 1 1 8 8 ASN HA H 1 4.662 0.000 . 1 . . . . A 115 ASN HA . 36181 1 66 . 1 1 8 8 ASN HB2 H 1 2.781 0.000 . 1 . . . . A 115 ASN HB2 . 36181 1 67 . 1 1 8 8 ASN HB3 H 1 2.682 0.000 . 1 . . . . A 115 ASN HB3 . 36181 1 68 . 1 1 8 8 ASN CA C 13 53.085 0.000 . 1 . . . . A 115 ASN CA . 36181 1 69 . 1 1 8 8 ASN CB C 13 38.926 0.007 . 1 . . . . A 115 ASN CB . 36181 1 70 . 1 1 8 8 ASN N N 15 120.549 0.000 . 1 . . . . A 115 ASN N . 36181 1 71 . 1 1 9 9 LYS H H 1 8.305 0.000 . 1 . . . . A 116 LYS H . 36181 1 72 . 1 1 9 9 LYS HA H 1 4.269 0.000 . 1 . . . . A 116 LYS HA . 36181 1 73 . 1 1 9 9 LYS HB2 H 1 1.891 0.000 . 1 . . . . A 116 LYS HB2 . 36181 1 74 . 1 1 9 9 LYS HB3 H 1 1.772 0.000 . 1 . . . . A 116 LYS HB3 . 36181 1 75 . 1 1 9 9 LYS HG2 H 1 1.429 0.000 . 1 . . . . A 116 LYS HG2 . 36181 1 76 . 1 1 9 9 LYS HD2 H 1 1.646 0.000 . 1 . . . . A 116 LYS HD2 . 36181 1 77 . 1 1 9 9 LYS HD3 H 1 1.629 0.000 . 2 . . . . A 116 LYS HD3 . 36181 1 78 . 1 1 9 9 LYS HE2 H 1 2.943 0.000 . 1 . . . . A 116 LYS HE2 . 36181 1 79 . 1 1 9 9 LYS CA C 13 56.789 0.000 . 1 . . . . A 116 LYS CA . 36181 1 80 . 1 1 9 9 LYS CB C 13 32.812 0.022 . 1 . . . . A 116 LYS CB . 36181 1 81 . 1 1 9 9 LYS CG C 13 24.775 0.000 . 1 . . . . A 116 LYS CG . 36181 1 82 . 1 1 9 9 LYS CD C 13 29.051 0.079 . 1 . . . . A 116 LYS CD . 36181 1 83 . 1 1 9 9 LYS CE C 13 42.044 0.000 . 1 . . . . A 116 LYS CE . 36181 1 84 . 1 1 9 9 LYS N N 15 121.827 0.000 . 1 . . . . A 116 LYS N . 36181 1 85 . 1 1 10 10 GLY H H 1 8.379 0.000 . 1 . . . . A 117 GLY H . 36181 1 86 . 1 1 10 10 GLY HA2 H 1 4.385 0.000 . 1 . . . . A 117 GLY HA2 . 36181 1 87 . 1 1 10 10 GLY CA C 13 45.789 0.000 . 1 . . . . A 117 GLY CA . 36181 1 88 . 1 1 10 10 GLY N N 15 109.560 0.000 . 1 . . . . A 117 GLY N . 36181 1 89 . 1 1 11 11 GLU H H 1 8.316 0.000 . 1 . . . . A 118 GLU H . 36181 1 90 . 1 1 11 11 GLU HA H 1 4.358 0.000 . 1 . . . . A 118 GLU HA . 36181 1 91 . 1 1 11 11 GLU HB2 H 1 2.076 0.000 . 1 . . . . A 118 GLU HB2 . 36181 1 92 . 1 1 11 11 GLU HG2 H 1 2.261 0.000 . 1 . . . . A 118 GLU HG2 . 36181 1 93 . 1 1 11 11 GLU CA C 13 56.825 0.000 . 1 . . . . A 118 GLU CA . 36181 1 94 . 1 1 11 11 GLU CB C 13 30.381 0.000 . 1 . . . . A 118 GLU CB . 36181 1 95 . 1 1 11 11 GLU CG C 13 36.344 0.000 . 1 . . . . A 118 GLU CG . 36181 1 96 . 1 1 11 11 GLU N N 15 120.477 0.000 . 1 . . . . A 118 GLU N . 36181 1 97 . 1 1 12 12 THR H H 1 8.234 0.000 . 1 . . . . A 119 THR H . 36181 1 98 . 1 1 12 12 THR HA H 1 4.345 0.000 . 1 . . . . A 119 THR HA . 36181 1 99 . 1 1 12 12 THR HB H 1 4.209 0.000 . 1 . . . . A 119 THR HB . 36181 1 100 . 1 1 12 12 THR HG21 H 1 1.075 0.000 . 1 . . . . A 119 THR HG21 . 36181 1 101 . 1 1 12 12 THR HG22 H 1 1.075 0.000 . 1 . . . . A 119 THR HG22 . 36181 1 102 . 1 1 12 12 THR HG23 H 1 1.075 0.000 . 1 . . . . A 119 THR HG23 . 36181 1 103 . 1 1 12 12 THR CA C 13 62.018 0.000 . 1 . . . . A 119 THR CA . 36181 1 104 . 1 1 12 12 THR CB C 13 69.879 0.000 . 1 . . . . A 119 THR CB . 36181 1 105 . 1 1 12 12 THR CG2 C 13 22.026 0.000 . 1 . . . . A 119 THR CG2 . 36181 1 106 . 1 1 12 12 THR N N 15 114.899 0.000 . 1 . . . . A 119 THR N . 36181 1 107 . 1 1 13 13 ALA H H 1 8.343 0.000 . 1 . . . . A 120 ALA H . 36181 1 108 . 1 1 13 13 ALA HA H 1 4.326 0.000 . 1 . . . . A 120 ALA HA . 36181 1 109 . 1 1 13 13 ALA HB1 H 1 1.371 0.000 . 1 . . . . A 120 ALA HB1 . 36181 1 110 . 1 1 13 13 ALA HB2 H 1 1.371 0.000 . 1 . . . . A 120 ALA HB2 . 36181 1 111 . 1 1 13 13 ALA HB3 H 1 1.371 0.000 . 1 . . . . A 120 ALA HB3 . 36181 1 112 . 1 1 13 13 ALA CA C 13 52.753 0.000 . 1 . . . . A 120 ALA CA . 36181 1 113 . 1 1 13 13 ALA CB C 13 19.334 0.000 . 1 . . . . A 120 ALA CB . 36181 1 114 . 1 1 13 13 ALA N N 15 125.973 0.000 . 1 . . . . A 120 ALA N . 36181 1 115 . 1 1 14 14 MET H H 1 8.282 0.000 . 1 . . . . A 121 MET H . 36181 1 116 . 1 1 14 14 MET HA H 1 4.508 0.000 . 1 . . . . A 121 MET HA . 36181 1 117 . 1 1 14 14 MET HB2 H 1 1.995 0.000 . 2 . . . . A 121 MET HB2 . 36181 1 118 . 1 1 14 14 MET HB3 H 1 1.995 0.000 . 2 . . . . A 121 MET HB3 . 36181 1 119 . 1 1 14 14 MET HG2 H 1 2.565 0.000 . 1 . . . . A 121 MET HG2 . 36181 1 120 . 1 1 14 14 MET HG3 H 1 2.474 0.000 . 1 . . . . A 121 MET HG3 . 36181 1 121 . 1 1 14 14 MET CA C 13 55.672 0.000 . 1 . . . . A 121 MET CA . 36181 1 122 . 1 1 14 14 MET CB C 13 33.074 0.000 . 1 . . . . A 121 MET CB . 36181 1 123 . 1 1 14 14 MET CG C 13 32.127 0.000 . 1 . . . . A 121 MET CG . 36181 1 124 . 1 1 14 14 MET N N 15 118.972 0.000 . 1 . . . . A 121 MET N . 36181 1 125 . 1 1 15 15 THR H H 1 8.129 0.000 . 1 . . . . A 122 THR H . 36181 1 126 . 1 1 15 15 THR HA H 1 4.420 0.000 . 1 . . . . A 122 THR HA . 36181 1 127 . 1 1 15 15 THR HB H 1 4.245 0.000 . 1 . . . . A 122 THR HB . 36181 1 128 . 1 1 15 15 THR HG21 H 1 1.151 0.000 . 1 . . . . A 122 THR HG21 . 36181 1 129 . 1 1 15 15 THR HG22 H 1 1.151 0.000 . 1 . . . . A 122 THR HG22 . 36181 1 130 . 1 1 15 15 THR HG23 H 1 1.151 0.000 . 1 . . . . A 122 THR HG23 . 36181 1 131 . 1 1 15 15 THR CA C 13 61.896 0.000 . 1 . . . . A 122 THR CA . 36181 1 132 . 1 1 15 15 THR CB C 13 69.933 0.000 . 1 . . . . A 122 THR CB . 36181 1 133 . 1 1 15 15 THR CG2 C 13 22.002 0.000 . 1 . . . . A 122 THR CG2 . 36181 1 134 . 1 1 15 15 THR N N 15 115.434 0.000 . 1 . . . . A 122 THR N . 36181 1 135 . 1 1 16 16 ILE H H 1 8.192 0.000 . 1 . . . . A 123 ILE H . 36181 1 136 . 1 1 16 16 ILE HA H 1 4.305 0.000 . 1 . . . . A 123 ILE HA . 36181 1 137 . 1 1 16 16 ILE HB H 1 1.914 0.000 . 1 . . . . A 123 ILE HB . 36181 1 138 . 1 1 16 16 ILE HG12 H 1 1.195 0.000 . 2 . . . . A 123 ILE HG12 . 36181 1 139 . 1 1 16 16 ILE HG13 H 1 1.195 0.000 . 2 . . . . A 123 ILE HG13 . 36181 1 140 . 1 1 16 16 ILE HG21 H 1 0.830 0.000 . 1 . . . . A 123 ILE HG21 . 36181 1 141 . 1 1 16 16 ILE HG22 H 1 0.830 0.000 . 1 . . . . A 123 ILE HG22 . 36181 1 142 . 1 1 16 16 ILE HG23 H 1 0.830 0.000 . 1 . . . . A 123 ILE HG23 . 36181 1 143 . 1 1 16 16 ILE HD11 H 1 0.797 0.000 . 1 . . . . A 123 ILE HD11 . 36181 1 144 . 1 1 16 16 ILE HD12 H 1 0.797 0.000 . 1 . . . . A 123 ILE HD12 . 36181 1 145 . 1 1 16 16 ILE HD13 H 1 0.797 0.000 . 1 . . . . A 123 ILE HD13 . 36181 1 146 . 1 1 16 16 ILE CA C 13 61.411 0.000 . 1 . . . . A 123 ILE CA . 36181 1 147 . 1 1 16 16 ILE CB C 13 38.979 0.000 . 1 . . . . A 123 ILE CB . 36181 1 148 . 1 1 16 16 ILE CG1 C 13 27.320 0.000 . 1 . . . . A 123 ILE CG1 . 36181 1 149 . 1 1 16 16 ILE CG2 C 13 17.517 0.000 . 1 . . . . A 123 ILE CG2 . 36181 1 150 . 1 1 16 16 ILE CD1 C 13 13.189 0.000 . 1 . . . . A 123 ILE CD1 . 36181 1 151 . 1 1 16 16 ILE N N 15 122.215 0.000 . 1 . . . . A 123 ILE N . 36181 1 152 . 1 1 17 17 ASN H H 1 8.551 0.000 . 1 . . . . A 124 ASN H . 36181 1 153 . 1 1 17 17 ASN HA H 1 4.977 0.000 . 1 . . . . A 124 ASN HA . 36181 1 154 . 1 1 17 17 ASN HB3 H 1 2.799 0.000 . 1 . . . . A 124 ASN HB3 . 36181 1 155 . 1 1 17 17 ASN CA C 13 52.997 0.000 . 1 . . . . A 124 ASN CA . 36181 1 156 . 1 1 17 17 ASN CB C 13 39.377 0.000 . 1 . . . . A 124 ASN CB . 36181 1 157 . 1 1 17 17 ASN N N 15 122.348 0.000 . 1 . . . . A 124 ASN N . 36181 1 158 . 1 1 18 18 GLY H H 1 7.752 0.000 . 1 . . . . A 125 GLY H . 36181 1 159 . 1 1 18 18 GLY HA2 H 1 4.482 0.000 . 2 . . . . A 125 GLY HA2 . 36181 1 160 . 1 1 18 18 GLY HA3 H 1 4.482 0.000 . 2 . . . . A 125 GLY HA3 . 36181 1 161 . 1 1 18 18 GLY CA C 13 44.730 0.000 . 1 . . . . A 125 GLY CA . 36181 1 162 . 1 1 18 18 GLY N N 15 107.045 0.000 . 1 . . . . A 125 GLY N . 36181 1 163 . 1 1 19 19 PRO HA H 1 4.386 0.000 . 1 . . . . A 126 PRO HA . 36181 1 164 . 1 1 19 19 PRO HB3 H 1 1.845 0.000 . 1 . . . . A 126 PRO HB3 . 36181 1 165 . 1 1 19 19 PRO HG2 H 1 1.984 0.000 . 2 . . . . A 126 PRO HG2 . 36181 1 166 . 1 1 19 19 PRO HG3 H 1 1.984 0.000 . 2 . . . . A 126 PRO HG3 . 36181 1 167 . 1 1 19 19 PRO HD2 H 1 3.750 0.000 . 1 . . . . A 126 PRO HD2 . 36181 1 168 . 1 1 19 19 PRO CA C 13 62.915 0.000 . 1 . . . . A 126 PRO CA . 36181 1 169 . 1 1 19 19 PRO CB C 13 32.137 0.000 . 1 . . . . A 126 PRO CB . 36181 1 170 . 1 1 19 19 PRO CG C 13 27.260 0.000 . 1 . . . . A 126 PRO CG . 36181 1 171 . 1 1 19 19 PRO CD C 13 50.569 0.000 . 1 . . . . A 126 PRO CD . 36181 1 172 . 1 1 20 20 TRP H H 1 8.496 0.000 . 1 . . . . A 127 TRP H . 36181 1 173 . 1 1 20 20 TRP HA H 1 4.200 0.000 . 1 . . . . A 127 TRP HA . 36181 1 174 . 1 1 20 20 TRP HB2 H 1 2.971 0.000 . 2 . . . . A 127 TRP HB2 . 36181 1 175 . 1 1 20 20 TRP HB3 H 1 2.971 0.000 . 2 . . . . A 127 TRP HB3 . 36181 1 176 . 1 1 20 20 TRP HD1 H 1 7.088 0.000 . 1 . . . . A 127 TRP HD1 . 36181 1 177 . 1 1 20 20 TRP HE3 H 1 7.172 0.000 . 1 . . . . A 127 TRP HE3 . 36181 1 178 . 1 1 20 20 TRP CA C 13 56.992 0.000 . 1 . . . . A 127 TRP CA . 36181 1 179 . 1 1 20 20 TRP CB C 13 30.516 0.000 . 1 . . . . A 127 TRP CB . 36181 1 180 . 1 1 20 20 TRP N N 15 120.956 0.000 . 1 . . . . A 127 TRP N . 36181 1 181 . 1 1 21 21 ALA H H 1 8.255 0.000 . 1 . . . . A 128 ALA H . 36181 1 182 . 1 1 21 21 ALA HA H 1 4.295 0.000 . 1 . . . . A 128 ALA HA . 36181 1 183 . 1 1 21 21 ALA HB1 H 1 1.212 0.000 . 1 . . . . A 128 ALA HB1 . 36181 1 184 . 1 1 21 21 ALA HB2 H 1 1.212 0.000 . 1 . . . . A 128 ALA HB2 . 36181 1 185 . 1 1 21 21 ALA HB3 H 1 1.212 0.000 . 1 . . . . A 128 ALA HB3 . 36181 1 186 . 1 1 21 21 ALA CA C 13 52.822 0.000 . 1 . . . . A 128 ALA CA . 36181 1 187 . 1 1 21 21 ALA CB C 13 19.244 0.000 . 1 . . . . A 128 ALA CB . 36181 1 188 . 1 1 21 21 ALA N N 15 124.701 0.000 . 1 . . . . A 128 ALA N . 36181 1 189 . 1 1 22 22 TRP H H 1 7.903 0.000 . 1 . . . . A 129 TRP H . 36181 1 190 . 1 1 22 22 TRP HA H 1 4.687 0.000 . 1 . . . . A 129 TRP HA . 36181 1 191 . 1 1 22 22 TRP HB2 H 1 3.281 0.000 . 1 . . . . A 129 TRP HB2 . 36181 1 192 . 1 1 22 22 TRP HD1 H 1 7.079 0.013 . 1 . . . . A 129 TRP HD1 . 36181 1 193 . 1 1 22 22 TRP HE3 H 1 7.176 0.000 . 1 . . . . A 129 TRP HE3 . 36181 1 194 . 1 1 22 22 TRP CA C 13 57.073 0.000 . 1 . . . . A 129 TRP CA . 36181 1 195 . 1 1 22 22 TRP CB C 13 30.050 0.012 . 1 . . . . A 129 TRP CB . 36181 1 196 . 1 1 22 22 TRP CD1 C 13 124.558 0.000 . 1 . . . . A 129 TRP CD1 . 36181 1 197 . 1 1 22 22 TRP N N 15 118.802 0.000 . 1 . . . . A 129 TRP N . 36181 1 198 . 1 1 23 23 SER H H 1 7.960 0.000 . 1 . . . . A 130 SER H . 36181 1 199 . 1 1 23 23 SER HA H 1 4.108 0.000 . 1 . . . . A 130 SER HA . 36181 1 200 . 1 1 23 23 SER HB2 H 1 3.738 0.000 . 2 . . . . A 130 SER HB2 . 36181 1 201 . 1 1 23 23 SER HB3 H 1 3.738 0.000 . 2 . . . . A 130 SER HB3 . 36181 1 202 . 1 1 23 23 SER CA C 13 58.016 0.000 . 1 . . . . A 130 SER CA . 36181 1 203 . 1 1 23 23 SER CB C 13 64.065 0.000 . 1 . . . . A 130 SER CB . 36181 1 204 . 1 1 23 23 SER N N 15 115.855 0.000 . 1 . . . . A 130 SER N . 36181 1 205 . 1 1 24 24 ASN HA H 1 4.682 0.000 . 1 . . . . A 131 ASN HA . 36181 1 206 . 1 1 24 24 ASN HB2 H 1 2.801 0.000 . 1 . . . . A 131 ASN HB2 . 36181 1 207 . 1 1 24 24 ASN HB3 H 1 2.696 0.000 . 1 . . . . A 131 ASN HB3 . 36181 1 208 . 1 1 24 24 ASN CA C 13 53.441 0.000 . 1 . . . . A 131 ASN CA . 36181 1 209 . 1 1 24 24 ASN CB C 13 38.924 0.012 . 1 . . . . A 131 ASN CB . 36181 1 210 . 1 1 25 25 ILE H H 1 8.017 0.000 . 1 . . . . A 132 ILE H . 36181 1 211 . 1 1 25 25 ILE HA H 1 4.091 0.000 . 1 . . . . A 132 ILE HA . 36181 1 212 . 1 1 25 25 ILE HB H 1 1.792 0.000 . 1 . . . . A 132 ILE HB . 36181 1 213 . 1 1 25 25 ILE HG12 H 1 1.090 0.000 . 2 . . . . A 132 ILE HG12 . 36181 1 214 . 1 1 25 25 ILE HG13 H 1 1.090 0.000 . 2 . . . . A 132 ILE HG13 . 36181 1 215 . 1 1 25 25 ILE HG21 H 1 0.855 0.000 . 1 . . . . A 132 ILE HG21 . 36181 1 216 . 1 1 25 25 ILE HG22 H 1 0.855 0.000 . 1 . . . . A 132 ILE HG22 . 36181 1 217 . 1 1 25 25 ILE HG23 H 1 0.855 0.000 . 1 . . . . A 132 ILE HG23 . 36181 1 218 . 1 1 25 25 ILE HD11 H 1 0.215 0.000 . 1 . . . . A 132 ILE HD11 . 36181 1 219 . 1 1 25 25 ILE HD12 H 1 0.215 0.000 . 1 . . . . A 132 ILE HD12 . 36181 1 220 . 1 1 25 25 ILE HD13 H 1 0.215 0.000 . 1 . . . . A 132 ILE HD13 . 36181 1 221 . 1 1 25 25 ILE CA C 13 61.295 0.000 . 1 . . . . A 132 ILE CA . 36181 1 222 . 1 1 25 25 ILE CB C 13 39.004 0.000 . 1 . . . . A 132 ILE CB . 36181 1 223 . 1 1 25 25 ILE CG1 C 13 27.325 0.000 . 1 . . . . A 132 ILE CG1 . 36181 1 224 . 1 1 25 25 ILE CG2 C 13 17.558 0.000 . 1 . . . . A 132 ILE CG2 . 36181 1 225 . 1 1 25 25 ILE CD1 C 13 13.740 0.000 . 1 . . . . A 132 ILE CD1 . 36181 1 226 . 1 1 25 25 ILE N N 15 120.111 0.000 . 1 . . . . A 132 ILE N . 36181 1 227 . 1 1 26 26 ASP HA H 1 4.699 0.000 . 1 . . . . A 133 ASP HA . 36181 1 228 . 1 1 26 26 ASP HB2 H 1 2.774 0.000 . 1 . . . . A 133 ASP HB2 . 36181 1 229 . 1 1 26 26 ASP HB3 H 1 2.605 0.000 . 1 . . . . A 133 ASP HB3 . 36181 1 230 . 1 1 26 26 ASP CA C 13 54.012 0.000 . 1 . . . . A 133 ASP CA . 36181 1 231 . 1 1 26 26 ASP CB C 13 41.058 0.005 . 1 . . . . A 133 ASP CB . 36181 1 232 . 1 1 27 27 THR H H 1 8.283 0.000 . 1 . . . . A 134 THR H . 36181 1 233 . 1 1 27 27 THR HA H 1 4.264 0.000 . 1 . . . . A 134 THR HA . 36181 1 234 . 1 1 27 27 THR HB H 1 4.392 0.000 . 1 . . . . A 134 THR HB . 36181 1 235 . 1 1 27 27 THR HG21 H 1 1.211 0.000 . 1 . . . . A 134 THR HG21 . 36181 1 236 . 1 1 27 27 THR HG22 H 1 1.211 0.000 . 1 . . . . A 134 THR HG22 . 36181 1 237 . 1 1 27 27 THR HG23 H 1 1.211 0.000 . 1 . . . . A 134 THR HG23 . 36181 1 238 . 1 1 27 27 THR CA C 13 62.523 0.000 . 1 . . . . A 134 THR CA . 36181 1 239 . 1 1 27 27 THR CB C 13 69.076 0.000 . 1 . . . . A 134 THR CB . 36181 1 240 . 1 1 27 27 THR CG2 C 13 21.795 0.000 . 1 . . . . A 134 THR CG2 . 36181 1 241 . 1 1 27 27 THR N N 15 115.714 0.000 . 1 . . . . A 134 THR N . 36181 1 242 . 1 1 28 28 SER H H 1 8.432 0.000 . 1 . . . . A 135 SER H . 36181 1 243 . 1 1 28 28 SER HA H 1 4.376 0.000 . 1 . . . . A 135 SER HA . 36181 1 244 . 1 1 28 28 SER HB2 H 1 3.914 0.000 . 1 . . . . A 135 SER HB2 . 36181 1 245 . 1 1 28 28 SER CA C 13 59.636 0.000 . 1 . . . . A 135 SER CA . 36181 1 246 . 1 1 28 28 SER CB C 13 63.923 0.000 . 1 . . . . A 135 SER CB . 36181 1 247 . 1 1 28 28 SER N N 15 118.135 0.000 . 1 . . . . A 135 SER N . 36181 1 248 . 1 1 29 29 LYS H H 1 8.023 0.000 . 1 . . . . A 136 LYS H . 36181 1 249 . 1 1 29 29 LYS HA H 1 4.365 0.000 . 1 . . . . A 136 LYS HA . 36181 1 250 . 1 1 29 29 LYS HB2 H 1 1.895 0.000 . 1 . . . . A 136 LYS HB2 . 36181 1 251 . 1 1 29 29 LYS HB3 H 1 1.754 0.000 . 1 . . . . A 136 LYS HB3 . 36181 1 252 . 1 1 29 29 LYS HD2 H 1 1.651 0.000 . 2 . . . . A 136 LYS HD2 . 36181 1 253 . 1 1 29 29 LYS HD3 H 1 1.651 0.000 . 2 . . . . A 136 LYS HD3 . 36181 1 254 . 1 1 29 29 LYS HE2 H 1 2.993 0.000 . 2 . . . . A 136 LYS HE2 . 36181 1 255 . 1 1 29 29 LYS HE3 H 1 2.993 0.000 . 2 . . . . A 136 LYS HE3 . 36181 1 256 . 1 1 29 29 LYS CA C 13 56.209 0.000 . 1 . . . . A 136 LYS CA . 36181 1 257 . 1 1 29 29 LYS CB C 13 32.903 0.033 . 1 . . . . A 136 LYS CB . 36181 1 258 . 1 1 29 29 LYS CD C 13 28.958 0.000 . 1 . . . . A 136 LYS CD . 36181 1 259 . 1 1 29 29 LYS CE C 13 42.229 0.000 . 1 . . . . A 136 LYS CE . 36181 1 260 . 1 1 29 29 LYS N N 15 122.167 0.000 . 1 . . . . A 136 LYS N . 36181 1 261 . 1 1 30 30 VAL H H 1 7.959 0.000 . 1 . . . . A 137 VAL H . 36181 1 262 . 1 1 30 30 VAL HA H 1 4.138 0.000 . 1 . . . . A 137 VAL HA . 36181 1 263 . 1 1 30 30 VAL HB H 1 2.083 0.000 . 1 . . . . A 137 VAL HB . 36181 1 264 . 1 1 30 30 VAL HG11 H 1 0.946 0.000 . 2 . . . . A 137 VAL HG11 . 36181 1 265 . 1 1 30 30 VAL HG12 H 1 0.946 0.000 . 2 . . . . A 137 VAL HG12 . 36181 1 266 . 1 1 30 30 VAL HG13 H 1 0.946 0.000 . 2 . . . . A 137 VAL HG13 . 36181 1 267 . 1 1 30 30 VAL HG21 H 1 0.946 0.000 . 2 . . . . A 137 VAL HG21 . 36181 1 268 . 1 1 30 30 VAL HG22 H 1 0.946 0.000 . 2 . . . . A 137 VAL HG22 . 36181 1 269 . 1 1 30 30 VAL HG23 H 1 0.946 0.000 . 2 . . . . A 137 VAL HG23 . 36181 1 270 . 1 1 30 30 VAL CA C 13 62.999 0.000 . 1 . . . . A 137 VAL CA . 36181 1 271 . 1 1 30 30 VAL CB C 13 32.617 0.000 . 1 . . . . A 137 VAL CB . 36181 1 272 . 1 1 30 30 VAL CG1 C 13 21.151 0.000 . 2 . . . . A 137 VAL CG1 . 36181 1 273 . 1 1 30 30 VAL CG2 C 13 21.151 0.000 . 2 . . . . A 137 VAL CG2 . 36181 1 274 . 1 1 30 30 VAL N N 15 120.271 0.000 . 1 . . . . A 137 VAL N . 36181 1 275 . 1 1 40 40 SER HA H 1 4.485 0.000 . 1 . . . . A 147 SER HA . 36181 1 276 . 1 1 40 40 SER HB2 H 1 3.872 0.000 . 1 . . . . A 147 SER HB2 . 36181 1 277 . 1 1 40 40 SER CA C 13 58.643 0.000 . 1 . . . . A 147 SER CA . 36181 1 278 . 1 1 40 40 SER CB C 13 63.924 0.000 . 1 . . . . A 147 SER CB . 36181 1 279 . 1 1 41 41 GLN HA H 1 4.411 0.000 . 1 . . . . A 148 GLN HA . 36181 1 280 . 1 1 41 41 GLN HB2 H 1 2.169 0.000 . 1 . . . . A 148 GLN HB2 . 36181 1 281 . 1 1 41 41 GLN HB3 H 1 2.361 0.000 . 2 . . . . A 148 GLN HB3 . 36181 1 282 . 1 1 41 41 GLN HG2 H 1 2.383 0.000 . 2 . . . . A 148 GLN HG2 . 36181 1 283 . 1 1 41 41 GLN HG3 H 1 2.383 0.000 . 2 . . . . A 148 GLN HG3 . 36181 1 284 . 1 1 41 41 GLN CA C 13 55.627 0.000 . 1 . . . . A 148 GLN CA . 36181 1 285 . 1 1 41 41 GLN CB C 13 29.453 0.011 . 1 . . . . A 148 GLN CB . 36181 1 286 . 1 1 41 41 GLN CG C 13 33.860 0.000 . 1 . . . . A 148 GLN CG . 36181 1 287 . 1 1 42 42 ALA H H 1 8.097 0.000 . 1 . . . . A 149 ALA H . 36181 1 288 . 1 1 42 42 ALA HA H 1 4.291 0.000 . 1 . . . . A 149 ALA HA . 36181 1 289 . 1 1 42 42 ALA HB1 H 1 1.117 0.000 . 1 . . . . A 149 ALA HB1 . 36181 1 290 . 1 1 42 42 ALA HB2 H 1 1.117 0.000 . 1 . . . . A 149 ALA HB2 . 36181 1 291 . 1 1 42 42 ALA HB3 H 1 1.117 0.000 . 1 . . . . A 149 ALA HB3 . 36181 1 292 . 1 1 42 42 ALA CA C 13 52.225 0.000 . 1 . . . . A 149 ALA CA . 36181 1 293 . 1 1 42 42 ALA CB C 13 19.618 0.000 . 1 . . . . A 149 ALA CB . 36181 1 294 . 1 1 42 42 ALA N N 15 124.769 0.000 . 1 . . . . A 149 ALA N . 36181 1 295 . 1 1 43 43 THR H H 1 8.123 0.000 . 1 . . . . A 150 THR H . 36181 1 296 . 1 1 43 43 THR HA H 1 4.477 0.000 . 1 . . . . A 150 THR HA . 36181 1 297 . 1 1 43 43 THR HB H 1 4.151 0.000 . 1 . . . . A 150 THR HB . 36181 1 298 . 1 1 43 43 THR HG21 H 1 1.183 0.000 . 1 . . . . A 150 THR HG21 . 36181 1 299 . 1 1 43 43 THR HG22 H 1 1.183 0.000 . 1 . . . . A 150 THR HG22 . 36181 1 300 . 1 1 43 43 THR HG23 H 1 1.183 0.000 . 1 . . . . A 150 THR HG23 . 36181 1 301 . 1 1 43 43 THR CA C 13 61.516 0.000 . 1 . . . . A 150 THR CA . 36181 1 302 . 1 1 43 43 THR CB C 13 70.256 0.000 . 1 . . . . A 150 THR CB . 36181 1 303 . 1 1 43 43 THR CG2 C 13 22.123 0.000 . 1 . . . . A 150 THR CG2 . 36181 1 304 . 1 1 43 43 THR N N 15 114.856 0.000 . 1 . . . . A 150 THR N . 36181 1 305 . 1 1 44 44 TRP H H 1 8.475 0.000 . 1 . . . . A 151 TRP H . 36181 1 306 . 1 1 44 44 TRP HA H 1 5.092 0.000 . 1 . . . . A 151 TRP HA . 36181 1 307 . 1 1 44 44 TRP HB2 H 1 2.900 0.000 . 1 . . . . A 151 TRP HB2 . 36181 1 308 . 1 1 44 44 TRP HB3 H 1 2.751 0.000 . 1 . . . . A 151 TRP HB3 . 36181 1 309 . 1 1 44 44 TRP HD1 H 1 7.017 0.005 . 1 . . . . A 151 TRP HD1 . 36181 1 310 . 1 1 44 44 TRP HZ2 H 1 7.338 0.000 . 1 . . . . A 151 TRP HZ2 . 36181 1 311 . 1 1 44 44 TRP HZ3 H 1 6.959 0.000 . 1 . . . . A 151 TRP HZ3 . 36181 1 312 . 1 1 44 44 TRP CA C 13 56.346 0.000 . 1 . . . . A 151 TRP CA . 36181 1 313 . 1 1 44 44 TRP CB C 13 33.006 0.011 . 1 . . . . A 151 TRP CB . 36181 1 314 . 1 1 44 44 TRP CD1 C 13 127.422 0.000 . 1 . . . . A 151 TRP CD1 . 36181 1 315 . 1 1 44 44 TRP CZ2 C 13 113.825 0.000 . 1 . . . . A 151 TRP CZ2 . 36181 1 316 . 1 1 44 44 TRP CZ3 C 13 119.535 0.000 . 1 . . . . A 151 TRP CZ3 . 36181 1 317 . 1 1 44 44 TRP N N 15 123.686 0.000 . 1 . . . . A 151 TRP N . 36181 1 318 . 1 1 45 45 LYS H H 1 9.572 0.000 . 1 . . . . A 152 LYS H . 36181 1 319 . 1 1 45 45 LYS HA H 1 4.965 0.000 . 1 . . . . A 152 LYS HA . 36181 1 320 . 1 1 45 45 LYS HB2 H 1 1.857 0.000 . 1 . . . . A 152 LYS HB2 . 36181 1 321 . 1 1 45 45 LYS HG2 H 1 1.410 0.000 . 1 . . . . A 152 LYS HG2 . 36181 1 322 . 1 1 45 45 LYS HD2 H 1 1.697 0.000 . 1 . . . . A 152 LYS HD2 . 36181 1 323 . 1 1 45 45 LYS HE2 H 1 3.017 0.000 . 1 . . . . A 152 LYS HE2 . 36181 1 324 . 1 1 45 45 LYS HE3 H 1 2.945 0.000 . 1 . . . . A 152 LYS HE3 . 36181 1 325 . 1 1 45 45 LYS CA C 13 54.236 0.000 . 1 . . . . A 152 LYS CA . 36181 1 326 . 1 1 45 45 LYS CB C 13 35.905 0.000 . 1 . . . . A 152 LYS CB . 36181 1 327 . 1 1 45 45 LYS CG C 13 23.971 0.000 . 1 . . . . A 152 LYS CG . 36181 1 328 . 1 1 45 45 LYS CD C 13 29.446 0.000 . 1 . . . . A 152 LYS CD . 36181 1 329 . 1 1 45 45 LYS CE C 13 42.312 0.023 . 1 . . . . A 152 LYS CE . 36181 1 330 . 1 1 45 45 LYS N N 15 121.534 0.000 . 1 . . . . A 152 LYS N . 36181 1 331 . 1 1 46 46 GLU H H 1 8.910 0.000 . 1 . . . . A 153 GLU H . 36181 1 332 . 1 1 46 46 GLU HA H 1 4.471 0.000 . 1 . . . . A 153 GLU HA . 36181 1 333 . 1 1 46 46 GLU HB2 H 1 2.038 0.000 . 1 . . . . A 153 GLU HB2 . 36181 1 334 . 1 1 46 46 GLU HG2 H 1 2.451 0.000 . 1 . . . . A 153 GLU HG2 . 36181 1 335 . 1 1 46 46 GLU CA C 13 58.628 0.000 . 1 . . . . A 153 GLU CA . 36181 1 336 . 1 1 46 46 GLU CB C 13 30.221 0.000 . 1 . . . . A 153 GLU CB . 36181 1 337 . 1 1 46 46 GLU CG C 13 37.269 0.000 . 1 . . . . A 153 GLU CG . 36181 1 338 . 1 1 46 46 GLU N N 15 124.080 0.000 . 1 . . . . A 153 GLU N . 36181 1 339 . 1 1 47 47 LYS H H 1 8.850 0.000 . 1 . . . . A 154 LYS H . 36181 1 340 . 1 1 47 47 LYS HA H 1 4.720 0.000 . 1 . . . . A 154 LYS HA . 36181 1 341 . 1 1 47 47 LYS HB2 H 1 1.707 0.000 . 1 . . . . A 154 LYS HB2 . 36181 1 342 . 1 1 47 47 LYS HB3 H 1 1.745 0.000 . 2 . . . . A 154 LYS HB3 . 36181 1 343 . 1 1 47 47 LYS HG2 H 1 1.335 0.016 . 2 . . . . A 154 LYS HG2 . 36181 1 344 . 1 1 47 47 LYS HG3 H 1 1.335 0.016 . 2 . . . . A 154 LYS HG3 . 36181 1 345 . 1 1 47 47 LYS HD2 H 1 1.464 0.000 . 1 . . . . A 154 LYS HD2 . 36181 1 346 . 1 1 47 47 LYS HD3 H 1 1.603 0.000 . 1 . . . . A 154 LYS HD3 . 36181 1 347 . 1 1 47 47 LYS HE2 H 1 2.977 0.000 . 1 . . . . A 154 LYS HE2 . 36181 1 348 . 1 1 47 47 LYS CA C 13 54.627 0.000 . 1 . . . . A 154 LYS CA . 36181 1 349 . 1 1 47 47 LYS CB C 13 36.206 0.064 . 1 . . . . A 154 LYS CB . 36181 1 350 . 1 1 47 47 LYS CG C 13 24.849 0.000 . 1 . . . . A 154 LYS CG . 36181 1 351 . 1 1 47 47 LYS CD C 13 29.714 0.198 . 1 . . . . A 154 LYS CD . 36181 1 352 . 1 1 47 47 LYS CE C 13 42.160 0.000 . 1 . . . . A 154 LYS CE . 36181 1 353 . 1 1 47 47 LYS N N 15 123.900 0.000 . 1 . . . . A 154 LYS N . 36181 1 354 . 1 1 48 48 ASP H H 1 8.737 0.000 . 1 . . . . A 155 ASP H . 36181 1 355 . 1 1 48 48 ASP HA H 1 4.892 0.000 . 1 . . . . A 155 ASP HA . 36181 1 356 . 1 1 48 48 ASP HB2 H 1 2.748 0.000 . 1 . . . . A 155 ASP HB2 . 36181 1 357 . 1 1 48 48 ASP HB3 H 1 2.698 0.000 . 2 . . . . A 155 ASP HB3 . 36181 1 358 . 1 1 48 48 ASP CA C 13 53.302 0.000 . 1 . . . . A 155 ASP CA . 36181 1 359 . 1 1 48 48 ASP CB C 13 40.632 0.006 . 1 . . . . A 155 ASP CB . 36181 1 360 . 1 1 48 48 ASP N N 15 123.705 0.000 . 1 . . . . A 155 ASP N . 36181 1 361 . 1 1 49 49 GLY H H 1 7.296 0.000 . 1 . . . . A 156 GLY H . 36181 1 362 . 1 1 49 49 GLY HA2 H 1 4.189 0.000 . 2 . . . . A 156 GLY HA2 . 36181 1 363 . 1 1 49 49 GLY HA3 H 1 4.189 0.000 . 2 . . . . A 156 GLY HA3 . 36181 1 364 . 1 1 49 49 GLY CA C 13 44.060 0.000 . 1 . . . . A 156 GLY CA . 36181 1 365 . 1 1 49 49 GLY N N 15 106.421 0.000 . 1 . . . . A 156 GLY N . 36181 1 366 . 1 1 50 50 ALA H H 1 8.268 0.000 . 1 . . . . A 157 ALA H . 36181 1 367 . 1 1 50 50 ALA HA H 1 4.202 0.000 . 1 . . . . A 157 ALA HA . 36181 1 368 . 1 1 50 50 ALA HB1 H 1 1.097 0.000 . 1 . . . . A 157 ALA HB1 . 36181 1 369 . 1 1 50 50 ALA HB2 H 1 1.097 0.000 . 1 . . . . A 157 ALA HB2 . 36181 1 370 . 1 1 50 50 ALA HB3 H 1 1.097 0.000 . 1 . . . . A 157 ALA HB3 . 36181 1 371 . 1 1 50 50 ALA CA C 13 51.239 0.000 . 1 . . . . A 157 ALA CA . 36181 1 372 . 1 1 50 50 ALA CB C 13 20.220 0.000 . 1 . . . . A 157 ALA CB . 36181 1 373 . 1 1 50 50 ALA N N 15 119.993 0.000 . 1 . . . . A 157 ALA N . 36181 1 374 . 1 1 51 51 VAL H H 1 8.774 0.000 . 1 . . . . A 158 VAL H . 36181 1 375 . 1 1 51 51 VAL HA H 1 3.899 0.000 . 1 . . . . A 158 VAL HA . 36181 1 376 . 1 1 51 51 VAL HB H 1 2.133 0.000 . 1 . . . . A 158 VAL HB . 36181 1 377 . 1 1 51 51 VAL HG11 H 1 1.016 0.000 . 1 . . . . A 158 VAL HG11 . 36181 1 378 . 1 1 51 51 VAL HG12 H 1 1.016 0.000 . 1 . . . . A 158 VAL HG12 . 36181 1 379 . 1 1 51 51 VAL HG13 H 1 1.016 0.000 . 1 . . . . A 158 VAL HG13 . 36181 1 380 . 1 1 51 51 VAL HG21 H 1 1.195 0.000 . 1 . . . . A 158 VAL HG21 . 36181 1 381 . 1 1 51 51 VAL HG22 H 1 1.195 0.000 . 1 . . . . A 158 VAL HG22 . 36181 1 382 . 1 1 51 51 VAL HG23 H 1 1.195 0.000 . 1 . . . . A 158 VAL HG23 . 36181 1 383 . 1 1 51 51 VAL CA C 13 64.368 0.000 . 1 . . . . A 158 VAL CA . 36181 1 384 . 1 1 51 51 VAL CB C 13 32.908 0.000 . 1 . . . . A 158 VAL CB . 36181 1 385 . 1 1 51 51 VAL CG1 C 13 23.933 0.000 . 1 . . . . A 158 VAL CG1 . 36181 1 386 . 1 1 51 51 VAL CG2 C 13 25.879 0.000 . 1 . . . . A 158 VAL CG2 . 36181 1 387 . 1 1 51 51 VAL N N 15 119.261 0.000 . 1 . . . . A 158 VAL N . 36181 1 388 . 1 1 52 52 GLU H H 1 9.664 0.012 . 1 . . . . A 159 GLU H . 36181 1 389 . 1 1 52 52 GLU HA H 1 4.510 0.025 . 1 . . . . A 159 GLU HA . 36181 1 390 . 1 1 52 52 GLU HB2 H 1 2.370 0.006 . 1 . . . . A 159 GLU HB2 . 36181 1 391 . 1 1 52 52 GLU HB3 H 1 1.910 0.009 . 1 . . . . A 159 GLU HB3 . 36181 1 392 . 1 1 52 52 GLU HG2 H 1 2.335 0.003 . 1 . . . . A 159 GLU HG2 . 36181 1 393 . 1 1 52 52 GLU HG3 H 1 2.265 0.000 . 1 . . . . A 159 GLU HG3 . 36181 1 394 . 1 1 52 52 GLU CA C 13 54.954 0.000 . 1 . . . . A 159 GLU CA . 36181 1 395 . 1 1 52 52 GLU CB C 13 32.327 0.047 . 1 . . . . A 159 GLU CB . 36181 1 396 . 1 1 52 52 GLU CG C 13 36.492 0.058 . 1 . . . . A 159 GLU CG . 36181 1 397 . 1 1 52 52 GLU N N 15 132.178 0.000 . 1 . . . . A 159 GLU N . 36181 1 398 . 1 1 53 53 ALA H H 1 8.322 0.007 . 1 . . . . A 160 ALA H . 36181 1 399 . 1 1 53 53 ALA HA H 1 3.878 0.021 . 1 . . . . A 160 ALA HA . 36181 1 400 . 1 1 53 53 ALA HB1 H 1 1.485 0.009 . 1 . . . . A 160 ALA HB1 . 36181 1 401 . 1 1 53 53 ALA HB2 H 1 1.485 0.009 . 1 . . . . A 160 ALA HB2 . 36181 1 402 . 1 1 53 53 ALA HB3 H 1 1.485 0.009 . 1 . . . . A 160 ALA HB3 . 36181 1 403 . 1 1 53 53 ALA CA C 13 55.457 0.020 . 1 . . . . A 160 ALA CA . 36181 1 404 . 1 1 53 53 ALA CB C 13 20.030 0.000 . 1 . . . . A 160 ALA CB . 36181 1 405 . 1 1 53 53 ALA N N 15 117.261 0.000 . 1 . . . . A 160 ALA N . 36181 1 406 . 1 1 54 54 GLU H H 1 8.114 0.008 . 1 . . . . A 161 GLU H . 36181 1 407 . 1 1 54 54 GLU HA H 1 4.696 0.000 . 1 . . . . A 161 GLU HA . 36181 1 408 . 1 1 54 54 GLU HB2 H 1 1.981 0.024 . 1 . . . . A 161 GLU HB2 . 36181 1 409 . 1 1 54 54 GLU HG3 H 1 2.240 0.000 . 1 . . . . A 161 GLU HG3 . 36181 1 410 . 1 1 54 54 GLU CA C 13 55.052 0.000 . 1 . . . . A 161 GLU CA . 36181 1 411 . 1 1 54 54 GLU CB C 13 29.454 0.000 . 1 . . . . A 161 GLU CB . 36181 1 412 . 1 1 54 54 GLU CG C 13 37.270 0.000 . 1 . . . . A 161 GLU CG . 36181 1 413 . 1 1 54 54 GLU N N 15 111.831 0.000 . 1 . . . . A 161 GLU N . 36181 1 414 . 1 1 55 55 ASP H H 1 7.276 0.013 . 1 . . . . A 162 ASP H . 36181 1 415 . 1 1 55 55 ASP HA H 1 5.239 0.024 . 1 . . . . A 162 ASP HA . 36181 1 416 . 1 1 55 55 ASP HB2 H 1 2.748 0.014 . 1 . . . . A 162 ASP HB2 . 36181 1 417 . 1 1 55 55 ASP CA C 13 55.252 0.034 . 1 . . . . A 162 ASP CA . 36181 1 418 . 1 1 55 55 ASP CB C 13 42.158 0.000 . 1 . . . . A 162 ASP CB . 36181 1 419 . 1 1 55 55 ASP N N 15 122.941 0.000 . 1 . . . . A 162 ASP N . 36181 1 420 . 1 1 56 56 ARG H H 1 8.896 0.007 . 1 . . . . A 163 ARG H . 36181 1 421 . 1 1 56 56 ARG HA H 1 5.240 0.000 . 1 . . . . A 163 ARG HA . 36181 1 422 . 1 1 56 56 ARG HB2 H 1 1.684 0.000 . 2 . . . . A 163 ARG HB2 . 36181 1 423 . 1 1 56 56 ARG HB3 H 1 1.684 0.000 . 2 . . . . A 163 ARG HB3 . 36181 1 424 . 1 1 56 56 ARG HG2 H 1 1.603 0.000 . 2 . . . . A 163 ARG HG2 . 36181 1 425 . 1 1 56 56 ARG HG3 H 1 1.603 0.000 . 2 . . . . A 163 ARG HG3 . 36181 1 426 . 1 1 56 56 ARG HD2 H 1 2.968 0.000 . 2 . . . . A 163 ARG HD2 . 36181 1 427 . 1 1 56 56 ARG HD3 H 1 2.968 0.000 . 2 . . . . A 163 ARG HD3 . 36181 1 428 . 1 1 56 56 ARG CA C 13 54.700 0.000 . 1 . . . . A 163 ARG CA . 36181 1 429 . 1 1 56 56 ARG CB C 13 33.818 0.000 . 1 . . . . A 163 ARG CB . 36181 1 430 . 1 1 56 56 ARG CG C 13 25.974 0.000 . 1 . . . . A 163 ARG CG . 36181 1 431 . 1 1 56 56 ARG CD C 13 43.534 0.000 . 1 . . . . A 163 ARG CD . 36181 1 432 . 1 1 56 56 ARG N N 15 118.465 0.000 . 1 . . . . A 163 ARG N . 36181 1 433 . 1 1 57 57 VAL H H 1 9.019 0.009 . 1 . . . . A 164 VAL H . 36181 1 434 . 1 1 57 57 VAL HA H 1 5.369 0.021 . 1 . . . . A 164 VAL HA . 36181 1 435 . 1 1 57 57 VAL HB H 1 2.153 0.014 . 1 . . . . A 164 VAL HB . 36181 1 436 . 1 1 57 57 VAL HG11 H 1 1.120 0.019 . 1 . . . . A 164 VAL HG11 . 36181 1 437 . 1 1 57 57 VAL HG12 H 1 1.120 0.019 . 1 . . . . A 164 VAL HG12 . 36181 1 438 . 1 1 57 57 VAL HG13 H 1 1.120 0.019 . 1 . . . . A 164 VAL HG13 . 36181 1 439 . 1 1 57 57 VAL CA C 13 58.180 0.034 . 1 . . . . A 164 VAL CA . 36181 1 440 . 1 1 57 57 VAL CB C 13 34.396 0.000 . 1 . . . . A 164 VAL CB . 36181 1 441 . 1 1 57 57 VAL CG1 C 13 24.240 0.000 . 1 . . . . A 164 VAL CG1 . 36181 1 442 . 1 1 57 57 VAL N N 15 119.500 0.000 . 1 . . . . A 164 VAL N . 36181 1 443 . 1 1 58 58 THR H H 1 8.442 0.010 . 1 . . . . A 165 THR H . 36181 1 444 . 1 1 58 58 THR HA H 1 5.223 0.010 . 1 . . . . A 165 THR HA . 36181 1 445 . 1 1 58 58 THR HB H 1 3.885 0.001 . 1 . . . . A 165 THR HB . 36181 1 446 . 1 1 58 58 THR HG21 H 1 0.910 0.002 . 1 . . . . A 165 THR HG21 . 36181 1 447 . 1 1 58 58 THR HG22 H 1 0.910 0.002 . 1 . . . . A 165 THR HG22 . 36181 1 448 . 1 1 58 58 THR HG23 H 1 0.910 0.002 . 1 . . . . A 165 THR HG23 . 36181 1 449 . 1 1 58 58 THR CA C 13 61.948 0.042 . 1 . . . . A 165 THR CA . 36181 1 450 . 1 1 58 58 THR CB C 13 69.276 0.021 . 1 . . . . A 165 THR CB . 36181 1 451 . 1 1 58 58 THR CG2 C 13 19.785 0.000 . 1 . . . . A 165 THR CG2 . 36181 1 452 . 1 1 58 58 THR N N 15 119.095 0.000 . 1 . . . . A 165 THR N . 36181 1 453 . 1 1 59 59 ILE H H 1 9.620 0.008 . 1 . . . . A 166 ILE H . 36181 1 454 . 1 1 59 59 ILE HA H 1 5.742 0.014 . 1 . . . . A 166 ILE HA . 36181 1 455 . 1 1 59 59 ILE HB H 1 2.077 0.006 . 1 . . . . A 166 ILE HB . 36181 1 456 . 1 1 59 59 ILE HG12 H 1 1.547 0.014 . 2 . . . . A 166 ILE HG12 . 36181 1 457 . 1 1 59 59 ILE HG13 H 1 1.547 0.014 . 2 . . . . A 166 ILE HG13 . 36181 1 458 . 1 1 59 59 ILE HG21 H 1 0.998 0.006 . 1 . . . . A 166 ILE HG21 . 36181 1 459 . 1 1 59 59 ILE HG22 H 1 0.998 0.006 . 1 . . . . A 166 ILE HG22 . 36181 1 460 . 1 1 59 59 ILE HG23 H 1 0.998 0.006 . 1 . . . . A 166 ILE HG23 . 36181 1 461 . 1 1 59 59 ILE HD11 H 1 1.026 0.000 . 1 . . . . A 166 ILE HD11 . 36181 1 462 . 1 1 59 59 ILE HD12 H 1 1.026 0.000 . 1 . . . . A 166 ILE HD12 . 36181 1 463 . 1 1 59 59 ILE HD13 H 1 1.026 0.000 . 1 . . . . A 166 ILE HD13 . 36181 1 464 . 1 1 59 59 ILE CA C 13 58.490 0.017 . 1 . . . . A 166 ILE CA . 36181 1 465 . 1 1 59 59 ILE CB C 13 42.746 0.033 . 1 . . . . A 166 ILE CB . 36181 1 466 . 1 1 59 59 ILE CG1 C 13 24.679 0.090 . 1 . . . . A 166 ILE CG1 . 36181 1 467 . 1 1 59 59 ILE CG2 C 13 19.187 0.000 . 1 . . . . A 166 ILE CG2 . 36181 1 468 . 1 1 59 59 ILE CD1 C 13 14.446 0.000 . 1 . . . . A 166 ILE CD1 . 36181 1 469 . 1 1 59 59 ILE N N 15 119.725 0.000 . 1 . . . . A 166 ILE N . 36181 1 470 . 1 1 60 60 ASP H H 1 8.538 0.009 . 1 . . . . A 167 ASP H . 36181 1 471 . 1 1 60 60 ASP HA H 1 5.353 0.014 . 1 . . . . A 167 ASP HA . 36181 1 472 . 1 1 60 60 ASP HB2 H 1 3.060 0.000 . 1 . . . . A 167 ASP HB2 . 36181 1 473 . 1 1 60 60 ASP HB3 H 1 2.605 0.007 . 1 . . . . A 167 ASP HB3 . 36181 1 474 . 1 1 60 60 ASP CA C 13 52.586 0.069 . 1 . . . . A 167 ASP CA . 36181 1 475 . 1 1 60 60 ASP CB C 13 42.404 0.077 . 1 . . . . A 167 ASP CB . 36181 1 476 . 1 1 60 60 ASP N N 15 119.148 0.000 . 1 . . . . A 167 ASP N . 36181 1 477 . 1 1 61 61 PHE H H 1 8.566 0.007 . 1 . . . . A 168 PHE H . 36181 1 478 . 1 1 61 61 PHE HA H 1 6.121 0.033 . 1 . . . . A 168 PHE HA . 36181 1 479 . 1 1 61 61 PHE HB2 H 1 2.975 0.007 . 2 . . . . A 168 PHE HB2 . 36181 1 480 . 1 1 61 61 PHE HB3 H 1 2.975 0.007 . 2 . . . . A 168 PHE HB3 . 36181 1 481 . 1 1 61 61 PHE HD1 H 1 6.949 0.019 . 1 . . . . A 168 PHE HD1 . 36181 1 482 . 1 1 61 61 PHE HD2 H 1 6.942 0.000 . 1 . . . . A 168 PHE HD2 . 36181 1 483 . 1 1 61 61 PHE HE1 H 1 6.322 0.000 . 3 . . . . A 168 PHE HE1 . 36181 1 484 . 1 1 61 61 PHE HE2 H 1 6.322 0.000 . 3 . . . . A 168 PHE HE2 . 36181 1 485 . 1 1 61 61 PHE HZ H 1 6.386 0.029 . 1 . . . . A 168 PHE HZ . 36181 1 486 . 1 1 61 61 PHE CA C 13 55.756 0.000 . 1 . . . . A 168 PHE CA . 36181 1 487 . 1 1 61 61 PHE CB C 13 43.818 0.060 . 1 . . . . A 168 PHE CB . 36181 1 488 . 1 1 61 61 PHE CD1 C 13 132.370 0.009 . 1 . . . . A 168 PHE CD1 . 36181 1 489 . 1 1 61 61 PHE CZ C 13 130.399 0.000 . 1 . . . . A 168 PHE CZ . 36181 1 490 . 1 1 61 61 PHE N N 15 114.527 0.000 . 1 . . . . A 168 PHE N . 36181 1 491 . 1 1 62 62 THR H H 1 8.488 0.005 . 1 . . . . A 169 THR H . 36181 1 492 . 1 1 62 62 THR HA H 1 4.862 0.000 . 1 . . . . A 169 THR HA . 36181 1 493 . 1 1 62 62 THR HB H 1 4.028 0.022 . 1 . . . . A 169 THR HB . 36181 1 494 . 1 1 62 62 THR HG21 H 1 1.054 0.020 . 1 . . . . A 169 THR HG21 . 36181 1 495 . 1 1 62 62 THR HG22 H 1 1.054 0.020 . 1 . . . . A 169 THR HG22 . 36181 1 496 . 1 1 62 62 THR HG23 H 1 1.054 0.020 . 1 . . . . A 169 THR HG23 . 36181 1 497 . 1 1 62 62 THR CA C 13 62.902 0.000 . 1 . . . . A 169 THR CA . 36181 1 498 . 1 1 62 62 THR CB C 13 71.654 0.044 . 1 . . . . A 169 THR CB . 36181 1 499 . 1 1 62 62 THR CG2 C 13 21.518 0.000 . 1 . . . . A 169 THR CG2 . 36181 1 500 . 1 1 62 62 THR N N 15 114.728 0.000 . 1 . . . . A 169 THR N . 36181 1 501 . 1 1 63 63 GLY H H 1 9.307 0.000 . 1 . . . . A 170 GLY H . 36181 1 502 . 1 1 63 63 GLY HA2 H 1 4.557 0.011 . 1 . . . . A 170 GLY HA2 . 36181 1 503 . 1 1 63 63 GLY CA C 13 45.108 0.018 . 1 . . . . A 170 GLY CA . 36181 1 504 . 1 1 63 63 GLY N N 15 119.199 0.000 . 1 . . . . A 170 GLY N . 36181 1 505 . 1 1 64 64 SER H H 1 9.009 0.010 . 1 . . . . A 171 SER H . 36181 1 506 . 1 1 64 64 SER HA H 1 5.020 0.012 . 1 . . . . A 171 SER HA . 36181 1 507 . 1 1 64 64 SER HB2 H 1 3.526 0.008 . 1 . . . . A 171 SER HB2 . 36181 1 508 . 1 1 64 64 SER HB3 H 1 3.283 0.005 . 1 . . . . A 171 SER HB3 . 36181 1 509 . 1 1 64 64 SER CA C 13 57.469 0.031 . 1 . . . . A 171 SER CA . 36181 1 510 . 1 1 64 64 SER CB C 13 66.227 0.000 . 1 . . . . A 171 SER CB . 36181 1 511 . 1 1 64 64 SER N N 15 115.839 0.000 . 1 . . . . A 171 SER N . 36181 1 512 . 1 1 65 65 VAL H H 1 8.828 0.007 . 1 . . . . A 172 VAL H . 36181 1 513 . 1 1 65 65 VAL HA H 1 4.486 0.012 . 1 . . . . A 172 VAL HA . 36181 1 514 . 1 1 65 65 VAL HB H 1 1.894 0.000 . 1 . . . . A 172 VAL HB . 36181 1 515 . 1 1 65 65 VAL HG11 H 1 0.916 0.004 . 1 . . . . A 172 VAL HG11 . 36181 1 516 . 1 1 65 65 VAL HG12 H 1 0.916 0.004 . 1 . . . . A 172 VAL HG12 . 36181 1 517 . 1 1 65 65 VAL HG13 H 1 0.916 0.004 . 1 . . . . A 172 VAL HG13 . 36181 1 518 . 1 1 65 65 VAL HG21 H 1 0.791 0.022 . 1 . . . . A 172 VAL HG21 . 36181 1 519 . 1 1 65 65 VAL HG22 H 1 0.791 0.022 . 1 . . . . A 172 VAL HG22 . 36181 1 520 . 1 1 65 65 VAL HG23 H 1 0.791 0.022 . 1 . . . . A 172 VAL HG23 . 36181 1 521 . 1 1 65 65 VAL CA C 13 61.527 0.008 . 1 . . . . A 172 VAL CA . 36181 1 522 . 1 1 65 65 VAL CB C 13 34.880 0.000 . 1 . . . . A 172 VAL CB . 36181 1 523 . 1 1 65 65 VAL CG1 C 13 21.555 0.124 . 1 . . . . A 172 VAL CG1 . 36181 1 524 . 1 1 65 65 VAL CG2 C 13 21.429 0.000 . 1 . . . . A 172 VAL CG2 . 36181 1 525 . 1 1 65 65 VAL N N 15 120.266 0.000 . 1 . . . . A 172 VAL N . 36181 1 526 . 1 1 66 66 ASP H H 1 9.611 0.001 . 1 . . . . A 173 ASP H . 36181 1 527 . 1 1 66 66 ASP HA H 1 4.320 0.000 . 1 . . . . A 173 ASP HA . 36181 1 528 . 1 1 66 66 ASP HB2 H 1 3.035 0.000 . 1 . . . . A 173 ASP HB2 . 36181 1 529 . 1 1 66 66 ASP HB3 H 1 2.719 0.000 . 1 . . . . A 173 ASP HB3 . 36181 1 530 . 1 1 66 66 ASP CA C 13 55.553 0.000 . 1 . . . . A 173 ASP CA . 36181 1 531 . 1 1 66 66 ASP CB C 13 39.598 0.014 . 1 . . . . A 173 ASP CB . 36181 1 532 . 1 1 66 66 ASP N N 15 128.928 0.000 . 1 . . . . A 173 ASP N . 36181 1 533 . 1 1 67 67 GLY H H 1 8.682 0.000 . 1 . . . . A 174 GLY H . 36181 1 534 . 1 1 67 67 GLY HA2 H 1 4.217 0.000 . 1 . . . . A 174 GLY HA2 . 36181 1 535 . 1 1 67 67 GLY CA C 13 45.322 0.000 . 1 . . . . A 174 GLY CA . 36181 1 536 . 1 1 67 67 GLY N N 15 102.530 0.000 . 1 . . . . A 174 GLY N . 36181 1 537 . 1 1 68 68 GLU H H 1 7.901 0.000 . 1 . . . . A 175 GLU H . 36181 1 538 . 1 1 68 68 GLU HA H 1 4.708 0.000 . 1 . . . . A 175 GLU HA . 36181 1 539 . 1 1 68 68 GLU HB2 H 1 2.128 0.000 . 1 . . . . A 175 GLU HB2 . 36181 1 540 . 1 1 68 68 GLU HB3 H 1 1.974 0.000 . 1 . . . . A 175 GLU HB3 . 36181 1 541 . 1 1 68 68 GLU HG2 H 1 2.315 0.000 . 1 . . . . A 175 GLU HG2 . 36181 1 542 . 1 1 68 68 GLU HG3 H 1 2.201 0.000 . 1 . . . . A 175 GLU HG3 . 36181 1 543 . 1 1 68 68 GLU CA C 13 54.631 0.000 . 1 . . . . A 175 GLU CA . 36181 1 544 . 1 1 68 68 GLU CB C 13 32.049 0.003 . 1 . . . . A 175 GLU CB . 36181 1 545 . 1 1 68 68 GLU CG C 13 35.848 0.025 . 1 . . . . A 175 GLU CG . 36181 1 546 . 1 1 68 68 GLU N N 15 120.423 0.000 . 1 . . . . A 175 GLU N . 36181 1 547 . 1 1 69 69 GLU H H 1 8.868 0.000 . 1 . . . . A 176 GLU H . 36181 1 548 . 1 1 69 69 GLU HA H 1 4.430 0.000 . 1 . . . . A 176 GLU HA . 36181 1 549 . 1 1 69 69 GLU HB2 H 1 1.760 0.000 . 2 . . . . A 176 GLU HB2 . 36181 1 550 . 1 1 69 69 GLU HB3 H 1 1.760 0.000 . 2 . . . . A 176 GLU HB3 . 36181 1 551 . 1 1 69 69 GLU HG2 H 1 2.038 0.000 . 2 . . . . A 176 GLU HG2 . 36181 1 552 . 1 1 69 69 GLU HG3 H 1 2.038 0.000 . 2 . . . . A 176 GLU HG3 . 36181 1 553 . 1 1 69 69 GLU CA C 13 56.942 0.000 . 1 . . . . A 176 GLU CA . 36181 1 554 . 1 1 69 69 GLU CB C 13 30.031 0.000 . 1 . . . . A 176 GLU CB . 36181 1 555 . 1 1 69 69 GLU CG C 13 36.509 0.000 . 1 . . . . A 176 GLU CG . 36181 1 556 . 1 1 69 69 GLU N N 15 125.863 0.000 . 1 . . . . A 176 GLU N . 36181 1 557 . 1 1 70 70 PHE H H 1 7.036 0.008 . 1 . . . . A 177 PHE H . 36181 1 558 . 1 1 70 70 PHE HA H 1 5.078 0.000 . 1 . . . . A 177 PHE HA . 36181 1 559 . 1 1 70 70 PHE HB2 H 1 3.125 0.000 . 1 . . . . A 177 PHE HB2 . 36181 1 560 . 1 1 70 70 PHE HB3 H 1 2.976 0.000 . 1 . . . . A 177 PHE HB3 . 36181 1 561 . 1 1 70 70 PHE HD1 H 1 7.075 0.028 . 3 . . . . A 177 PHE HD1 . 36181 1 562 . 1 1 70 70 PHE HD2 H 1 7.075 0.028 . 3 . . . . A 177 PHE HD2 . 36181 1 563 . 1 1 70 70 PHE HE1 H 1 6.968 0.000 . 3 . . . . A 177 PHE HE1 . 36181 1 564 . 1 1 70 70 PHE HE2 H 1 6.968 0.000 . 3 . . . . A 177 PHE HE2 . 36181 1 565 . 1 1 70 70 PHE HZ H 1 6.788 0.000 . 1 . . . . A 177 PHE HZ . 36181 1 566 . 1 1 70 70 PHE CA C 13 54.172 0.000 . 1 . . . . A 177 PHE CA . 36181 1 567 . 1 1 70 70 PHE CB C 13 41.294 0.085 . 1 . . . . A 177 PHE CB . 36181 1 568 . 1 1 70 70 PHE CD1 C 13 132.113 0.000 . 3 . . . . A 177 PHE CD1 . 36181 1 569 . 1 1 70 70 PHE CD2 C 13 132.113 0.000 . 3 . . . . A 177 PHE CD2 . 36181 1 570 . 1 1 70 70 PHE CZ C 13 130.098 0.000 . 1 . . . . A 177 PHE CZ . 36181 1 571 . 1 1 70 70 PHE N N 15 117.202 0.000 . 1 . . . . A 177 PHE N . 36181 1 572 . 1 1 71 71 GLU H H 1 9.040 0.000 . 1 . . . . A 178 GLU H . 36181 1 573 . 1 1 71 71 GLU HA H 1 4.170 0.000 . 1 . . . . A 178 GLU HA . 36181 1 574 . 1 1 71 71 GLU HB2 H 1 2.068 0.000 . 2 . . . . A 178 GLU HB2 . 36181 1 575 . 1 1 71 71 GLU HB3 H 1 2.073 0.000 . 1 . . . . A 178 GLU HB3 . 36181 1 576 . 1 1 71 71 GLU HG2 H 1 2.356 0.000 . 1 . . . . A 178 GLU HG2 . 36181 1 577 . 1 1 71 71 GLU HG3 H 1 2.273 0.000 . 2 . . . . A 178 GLU HG3 . 36181 1 578 . 1 1 71 71 GLU CA C 13 57.995 0.000 . 1 . . . . A 178 GLU CA . 36181 1 579 . 1 1 71 71 GLU CB C 13 29.575 0.000 . 1 . . . . A 178 GLU CB . 36181 1 580 . 1 1 71 71 GLU CG C 13 36.182 0.042 . 1 . . . . A 178 GLU CG . 36181 1 581 . 1 1 71 71 GLU N N 15 124.689 0.000 . 1 . . . . A 178 GLU N . 36181 1 582 . 1 1 72 72 GLY H H 1 8.997 0.000 . 1 . . . . A 179 GLY H . 36181 1 583 . 1 1 72 72 GLY HA2 H 1 4.026 0.000 . 2 . . . . A 179 GLY HA2 . 36181 1 584 . 1 1 72 72 GLY HA3 H 1 4.026 0.000 . 2 . . . . A 179 GLY HA3 . 36181 1 585 . 1 1 72 72 GLY CA C 13 45.467 0.000 . 1 . . . . A 179 GLY CA . 36181 1 586 . 1 1 72 72 GLY N N 15 113.848 0.000 . 1 . . . . A 179 GLY N . 36181 1 587 . 1 1 73 73 GLY H H 1 7.790 0.000 . 1 . . . . A 180 GLY H . 36181 1 588 . 1 1 73 73 GLY HA2 H 1 4.195 0.000 . 1 . . . . A 180 GLY HA2 . 36181 1 589 . 1 1 73 73 GLY CA C 13 46.540 0.000 . 1 . . . . A 180 GLY CA . 36181 1 590 . 1 1 73 73 GLY N N 15 106.097 0.000 . 1 . . . . A 180 GLY N . 36181 1 591 . 1 1 74 74 LYS H H 1 7.589 0.007 . 1 . . . . A 181 LYS H . 36181 1 592 . 1 1 74 74 LYS HA H 1 5.327 0.008 . 1 . . . . A 181 LYS HA . 36181 1 593 . 1 1 74 74 LYS HB2 H 1 1.723 0.008 . 1 . . . . A 181 LYS HB2 . 36181 1 594 . 1 1 74 74 LYS HG2 H 1 1.387 0.000 . 2 . . . . A 181 LYS HG2 . 36181 1 595 . 1 1 74 74 LYS HG3 H 1 1.387 0.000 . 2 . . . . A 181 LYS HG3 . 36181 1 596 . 1 1 74 74 LYS HD2 H 1 1.617 0.000 . 2 . . . . A 181 LYS HD2 . 36181 1 597 . 1 1 74 74 LYS HD3 H 1 1.617 0.000 . 2 . . . . A 181 LYS HD3 . 36181 1 598 . 1 1 74 74 LYS HE2 H 1 2.890 0.025 . 2 . . . . A 181 LYS HE2 . 36181 1 599 . 1 1 74 74 LYS HE3 H 1 2.890 0.025 . 2 . . . . A 181 LYS HE3 . 36181 1 600 . 1 1 74 74 LYS CA C 13 54.422 0.076 . 1 . . . . A 181 LYS CA . 36181 1 601 . 1 1 74 74 LYS CB C 13 36.065 0.004 . 1 . . . . A 181 LYS CB . 36181 1 602 . 1 1 74 74 LYS CG C 13 24.794 0.000 . 1 . . . . A 181 LYS CG . 36181 1 603 . 1 1 74 74 LYS CD C 13 29.612 0.000 . 1 . . . . A 181 LYS CD . 36181 1 604 . 1 1 74 74 LYS CE C 13 42.105 0.000 . 1 . . . . A 181 LYS CE . 36181 1 605 . 1 1 74 74 LYS N N 15 119.234 0.000 . 1 . . . . A 181 LYS N . 36181 1 606 . 1 1 75 75 ALA H H 1 8.113 0.016 . 1 . . . . A 182 ALA H . 36181 1 607 . 1 1 75 75 ALA HA H 1 4.372 0.000 . 1 . . . . A 182 ALA HA . 36181 1 608 . 1 1 75 75 ALA HB1 H 1 0.592 0.041 . 1 . . . . A 182 ALA HB1 . 36181 1 609 . 1 1 75 75 ALA HB2 H 1 0.592 0.041 . 1 . . . . A 182 ALA HB2 . 36181 1 610 . 1 1 75 75 ALA HB3 H 1 0.592 0.041 . 1 . . . . A 182 ALA HB3 . 36181 1 611 . 1 1 75 75 ALA CA C 13 51.586 0.000 . 1 . . . . A 182 ALA CA . 36181 1 612 . 1 1 75 75 ALA CB C 13 23.009 0.000 . 1 . . . . A 182 ALA CB . 36181 1 613 . 1 1 75 75 ALA N N 15 125.460 0.000 . 1 . . . . A 182 ALA N . 36181 1 614 . 1 1 76 76 SER H H 1 8.434 0.000 . 1 . . . . A 183 SER H . 36181 1 615 . 1 1 76 76 SER HA H 1 5.124 0.011 . 1 . . . . A 183 SER HA . 36181 1 616 . 1 1 76 76 SER HB2 H 1 3.664 0.000 . 1 . . . . A 183 SER HB2 . 36181 1 617 . 1 1 76 76 SER HB3 H 1 3.541 0.000 . 1 . . . . A 183 SER HB3 . 36181 1 618 . 1 1 76 76 SER CA C 13 56.442 0.088 . 1 . . . . A 183 SER CA . 36181 1 619 . 1 1 76 76 SER CB C 13 65.413 0.028 . 1 . . . . A 183 SER CB . 36181 1 620 . 1 1 76 76 SER N N 15 115.632 0.000 . 1 . . . . A 183 SER N . 36181 1 621 . 1 1 77 77 ASP H H 1 9.608 0.018 . 1 . . . . A 184 ASP H . 36181 1 622 . 1 1 77 77 ASP HA H 1 3.756 0.007 . 1 . . . . A 184 ASP HA . 36181 1 623 . 1 1 77 77 ASP HB2 H 1 2.576 0.004 . 2 . . . . A 184 ASP HB2 . 36181 1 624 . 1 1 77 77 ASP HB3 H 1 2.576 0.004 . 2 . . . . A 184 ASP HB3 . 36181 1 625 . 1 1 77 77 ASP CA C 13 56.028 0.039 . 1 . . . . A 184 ASP CA . 36181 1 626 . 1 1 77 77 ASP CB C 13 39.569 0.000 . 1 . . . . A 184 ASP CB . 36181 1 627 . 1 1 77 77 ASP N N 15 123.166 0.000 . 1 . . . . A 184 ASP N . 36181 1 628 . 1 1 78 78 PHE H H 1 9.167 0.008 . 1 . . . . A 185 PHE H . 36181 1 629 . 1 1 78 78 PHE HA H 1 4.426 0.000 . 1 . . . . A 185 PHE HA . 36181 1 630 . 1 1 78 78 PHE HB2 H 1 3.249 0.014 . 1 . . . . A 185 PHE HB2 . 36181 1 631 . 1 1 78 78 PHE HB3 H 1 2.698 0.008 . 1 . . . . A 185 PHE HB3 . 36181 1 632 . 1 1 78 78 PHE HD1 H 1 7.235 0.006 . 3 . . . . A 185 PHE HD1 . 36181 1 633 . 1 1 78 78 PHE HD2 H 1 7.235 0.006 . 3 . . . . A 185 PHE HD2 . 36181 1 634 . 1 1 78 78 PHE HE1 H 1 7.343 0.016 . 3 . . . . A 185 PHE HE1 . 36181 1 635 . 1 1 78 78 PHE HE2 H 1 7.343 0.016 . 3 . . . . A 185 PHE HE2 . 36181 1 636 . 1 1 78 78 PHE HZ H 1 7.073 0.000 . 1 . . . . A 185 PHE HZ . 36181 1 637 . 1 1 78 78 PHE CA C 13 58.299 0.000 . 1 . . . . A 185 PHE CA . 36181 1 638 . 1 1 78 78 PHE CB C 13 40.177 0.042 . 1 . . . . A 185 PHE CB . 36181 1 639 . 1 1 78 78 PHE CD1 C 13 131.955 0.018 . 3 . . . . A 185 PHE CD1 . 36181 1 640 . 1 1 78 78 PHE CD2 C 13 131.955 0.018 . 3 . . . . A 185 PHE CD2 . 36181 1 641 . 1 1 78 78 PHE CE1 C 13 131.365 0.000 . 3 . . . . A 185 PHE CE1 . 36181 1 642 . 1 1 78 78 PHE CE2 C 13 131.365 0.000 . 3 . . . . A 185 PHE CE2 . 36181 1 643 . 1 1 78 78 PHE CZ C 13 129.694 0.000 . 1 . . . . A 185 PHE CZ . 36181 1 644 . 1 1 78 78 PHE N N 15 121.370 0.000 . 1 . . . . A 185 PHE N . 36181 1 645 . 1 1 79 79 VAL H H 1 7.886 0.010 . 1 . . . . A 186 VAL H . 36181 1 646 . 1 1 79 79 VAL HA H 1 4.515 0.008 . 1 . . . . A 186 VAL HA . 36181 1 647 . 1 1 79 79 VAL HB H 1 1.632 0.014 . 1 . . . . A 186 VAL HB . 36181 1 648 . 1 1 79 79 VAL HG11 H 1 0.779 0.012 . 1 . . . . A 186 VAL HG11 . 36181 1 649 . 1 1 79 79 VAL HG12 H 1 0.779 0.012 . 1 . . . . A 186 VAL HG12 . 36181 1 650 . 1 1 79 79 VAL HG13 H 1 0.779 0.012 . 1 . . . . A 186 VAL HG13 . 36181 1 651 . 1 1 79 79 VAL HG21 H 1 0.391 0.016 . 1 . . . . A 186 VAL HG21 . 36181 1 652 . 1 1 79 79 VAL HG22 H 1 0.391 0.016 . 1 . . . . A 186 VAL HG22 . 36181 1 653 . 1 1 79 79 VAL HG23 H 1 0.391 0.016 . 1 . . . . A 186 VAL HG23 . 36181 1 654 . 1 1 79 79 VAL CA C 13 61.947 0.024 . 1 . . . . A 186 VAL CA . 36181 1 655 . 1 1 79 79 VAL CB C 13 31.478 0.047 . 1 . . . . A 186 VAL CB . 36181 1 656 . 1 1 79 79 VAL CG1 C 13 20.838 0.176 . 2 . . . . A 186 VAL CG1 . 36181 1 657 . 1 1 79 79 VAL CG2 C 13 20.838 0.176 . 2 . . . . A 186 VAL CG2 . 36181 1 658 . 1 1 79 79 VAL N N 15 129.469 0.000 . 1 . . . . A 186 VAL N . 36181 1 659 . 1 1 80 80 LEU H H 1 9.270 0.010 . 1 . . . . A 187 LEU H . 36181 1 660 . 1 1 80 80 LEU HA H 1 4.388 0.011 . 1 . . . . A 187 LEU HA . 36181 1 661 . 1 1 80 80 LEU HB2 H 1 1.903 0.006 . 1 . . . . A 187 LEU HB2 . 36181 1 662 . 1 1 80 80 LEU HB3 H 1 1.192 0.030 . 1 . . . . A 187 LEU HB3 . 36181 1 663 . 1 1 80 80 LEU HG H 1 1.298 0.000 . 1 . . . . A 187 LEU HG . 36181 1 664 . 1 1 80 80 LEU HD11 H 1 0.935 0.009 . 1 . . . . A 187 LEU HD11 . 36181 1 665 . 1 1 80 80 LEU HD12 H 1 0.935 0.009 . 1 . . . . A 187 LEU HD12 . 36181 1 666 . 1 1 80 80 LEU HD13 H 1 0.935 0.009 . 1 . . . . A 187 LEU HD13 . 36181 1 667 . 1 1 80 80 LEU HD21 H 1 0.986 0.018 . 2 . . . . A 187 LEU HD21 . 36181 1 668 . 1 1 80 80 LEU HD22 H 1 0.986 0.018 . 2 . . . . A 187 LEU HD22 . 36181 1 669 . 1 1 80 80 LEU HD23 H 1 0.986 0.018 . 2 . . . . A 187 LEU HD23 . 36181 1 670 . 1 1 80 80 LEU CA C 13 52.898 0.021 . 1 . . . . A 187 LEU CA . 36181 1 671 . 1 1 80 80 LEU CB C 13 44.724 0.004 . 1 . . . . A 187 LEU CB . 36181 1 672 . 1 1 80 80 LEU CG C 13 27.685 0.000 . 1 . . . . A 187 LEU CG . 36181 1 673 . 1 1 80 80 LEU CD1 C 13 25.946 0.000 . 1 . . . . A 187 LEU CD1 . 36181 1 674 . 1 1 80 80 LEU CD2 C 13 22.928 0.000 . 2 . . . . A 187 LEU CD2 . 36181 1 675 . 1 1 80 80 LEU N N 15 130.755 0.000 . 1 . . . . A 187 LEU N . 36181 1 676 . 1 1 81 81 ALA H H 1 8.612 0.016 . 1 . . . . A 188 ALA H . 36181 1 677 . 1 1 81 81 ALA HA H 1 4.266 0.000 . 1 . . . . A 188 ALA HA . 36181 1 678 . 1 1 81 81 ALA HB1 H 1 1.251 0.000 . 1 . . . . A 188 ALA HB1 . 36181 1 679 . 1 1 81 81 ALA HB2 H 1 1.251 0.000 . 1 . . . . A 188 ALA HB2 . 36181 1 680 . 1 1 81 81 ALA HB3 H 1 1.251 0.000 . 1 . . . . A 188 ALA HB3 . 36181 1 681 . 1 1 81 81 ALA CA C 13 51.853 0.000 . 1 . . . . A 188 ALA CA . 36181 1 682 . 1 1 81 81 ALA CB C 13 16.843 0.000 . 1 . . . . A 188 ALA CB . 36181 1 683 . 1 1 81 81 ALA N N 15 132.359 0.000 . 1 . . . . A 188 ALA N . 36181 1 684 . 1 1 82 82 MET H H 1 8.636 0.000 . 1 . . . . A 189 MET H . 36181 1 685 . 1 1 82 82 MET HA H 1 4.207 0.000 . 1 . . . . A 189 MET HA . 36181 1 686 . 1 1 82 82 MET HB2 H 1 2.382 0.000 . 1 . . . . A 189 MET HB2 . 36181 1 687 . 1 1 82 82 MET HB3 H 1 2.127 0.000 . 1 . . . . A 189 MET HB3 . 36181 1 688 . 1 1 82 82 MET HG2 H 1 2.631 0.000 . 2 . . . . A 189 MET HG2 . 36181 1 689 . 1 1 82 82 MET HG3 H 1 2.631 0.000 . 2 . . . . A 189 MET HG3 . 36181 1 690 . 1 1 82 82 MET CA C 13 56.525 0.000 . 1 . . . . A 189 MET CA . 36181 1 691 . 1 1 82 82 MET CB C 13 33.722 0.186 . 1 . . . . A 189 MET CB . 36181 1 692 . 1 1 82 82 MET CG C 13 32.355 0.000 . 1 . . . . A 189 MET CG . 36181 1 693 . 1 1 82 82 MET N N 15 125.280 0.000 . 1 . . . . A 189 MET N . 36181 1 694 . 1 1 83 83 GLY H H 1 10.223 0.000 . 1 . . . . A 190 GLY H . 36181 1 695 . 1 1 83 83 GLY HA2 H 1 3.943 0.000 . 1 . . . . A 190 GLY HA2 . 36181 1 696 . 1 1 83 83 GLY CA C 13 46.455 0.000 . 1 . . . . A 190 GLY CA . 36181 1 697 . 1 1 83 83 GLY N N 15 109.559 0.000 . 1 . . . . A 190 GLY N . 36181 1 698 . 1 1 84 84 GLN H H 1 9.089 0.000 . 1 . . . . A 191 GLN H . 36181 1 699 . 1 1 84 84 GLN HA H 1 4.622 0.000 . 1 . . . . A 191 GLN HA . 36181 1 700 . 1 1 84 84 GLN HB2 H 1 2.486 0.000 . 1 . . . . A 191 GLN HB2 . 36181 1 701 . 1 1 84 84 GLN HB3 H 1 1.868 0.000 . 1 . . . . A 191 GLN HB3 . 36181 1 702 . 1 1 84 84 GLN HG2 H 1 2.268 0.000 . 1 . . . . A 191 GLN HG2 . 36181 1 703 . 1 1 84 84 GLN HG3 H 1 2.219 0.000 . 1 . . . . A 191 GLN HG3 . 36181 1 704 . 1 1 84 84 GLN CA C 13 54.223 0.000 . 1 . . . . A 191 GLN CA . 36181 1 705 . 1 1 84 84 GLN CB C 13 29.333 0.242 . 1 . . . . A 191 GLN CB . 36181 1 706 . 1 1 84 84 GLN CG C 13 33.412 0.007 . 1 . . . . A 191 GLN CG . 36181 1 707 . 1 1 84 84 GLN N N 15 118.580 0.000 . 1 . . . . A 191 GLN N . 36181 1 708 . 1 1 85 85 GLY H H 1 9.154 0.000 . 1 . . . . A 192 GLY H . 36181 1 709 . 1 1 85 85 GLY N N 15 110.769 0.000 . 1 . . . . A 192 GLY N . 36181 1 710 . 1 1 86 86 ARG HA H 1 4.135 0.000 . 1 . . . . A 193 ARG HA . 36181 1 711 . 1 1 86 86 ARG HB2 H 1 1.898 0.000 . 2 . . . . A 193 ARG HB2 . 36181 1 712 . 1 1 86 86 ARG HB3 H 1 1.898 0.000 . 2 . . . . A 193 ARG HB3 . 36181 1 713 . 1 1 86 86 ARG HG2 H 1 1.650 0.000 . 2 . . . . A 193 ARG HG2 . 36181 1 714 . 1 1 86 86 ARG HG3 H 1 1.650 0.000 . 2 . . . . A 193 ARG HG3 . 36181 1 715 . 1 1 86 86 ARG HD2 H 1 2.975 0.000 . 2 . . . . A 193 ARG HD2 . 36181 1 716 . 1 1 86 86 ARG HD3 H 1 2.975 0.000 . 2 . . . . A 193 ARG HD3 . 36181 1 717 . 1 1 86 86 ARG CA C 13 58.252 0.000 . 1 . . . . A 193 ARG CA . 36181 1 718 . 1 1 86 86 ARG CB C 13 30.333 0.000 . 1 . . . . A 193 ARG CB . 36181 1 719 . 1 1 86 86 ARG CG C 13 27.964 0.000 . 1 . . . . A 193 ARG CG . 36181 1 720 . 1 1 86 86 ARG CD C 13 43.073 0.000 . 1 . . . . A 193 ARG CD . 36181 1 721 . 1 1 87 87 MET H H 1 8.035 0.000 . 1 . . . . A 194 MET H . 36181 1 722 . 1 1 87 87 MET HA H 1 5.120 0.000 . 1 . . . . A 194 MET HA . 36181 1 723 . 1 1 87 87 MET HB2 H 1 2.061 0.000 . 2 . . . . A 194 MET HB2 . 36181 1 724 . 1 1 87 87 MET HB3 H 1 2.061 0.000 . 2 . . . . A 194 MET HB3 . 36181 1 725 . 1 1 87 87 MET HG2 H 1 2.570 0.000 . 1 . . . . A 194 MET HG2 . 36181 1 726 . 1 1 87 87 MET HG3 H 1 2.479 0.000 . 1 . . . . A 194 MET HG3 . 36181 1 727 . 1 1 87 87 MET HE1 H 1 0.615 0.000 . 1 . . . . A 194 MET HE1 . 36181 1 728 . 1 1 87 87 MET HE2 H 1 0.615 0.000 . 1 . . . . A 194 MET HE2 . 36181 1 729 . 1 1 87 87 MET HE3 H 1 0.615 0.000 . 1 . . . . A 194 MET HE3 . 36181 1 730 . 1 1 87 87 MET CA C 13 51.972 0.000 . 1 . . . . A 194 MET CA . 36181 1 731 . 1 1 87 87 MET CB C 13 33.086 0.000 . 1 . . . . A 194 MET CB . 36181 1 732 . 1 1 87 87 MET CG C 13 32.122 0.000 . 1 . . . . A 194 MET CG . 36181 1 733 . 1 1 87 87 MET N N 15 113.811 0.000 . 1 . . . . A 194 MET N . 36181 1 734 . 1 1 88 88 ILE H H 1 7.514 0.000 . 1 . . . . A 195 ILE H . 36181 1 735 . 1 1 88 88 ILE HB H 1 1.807 0.000 . 1 . . . . A 195 ILE HB . 36181 1 736 . 1 1 88 88 ILE HG12 H 1 1.105 0.000 . 1 . . . . A 195 ILE HG12 . 36181 1 737 . 1 1 88 88 ILE HG21 H 1 0.873 0.000 . 1 . . . . A 195 ILE HG21 . 36181 1 738 . 1 1 88 88 ILE HG22 H 1 0.873 0.000 . 1 . . . . A 195 ILE HG22 . 36181 1 739 . 1 1 88 88 ILE HG23 H 1 0.873 0.000 . 1 . . . . A 195 ILE HG23 . 36181 1 740 . 1 1 88 88 ILE HD11 H 1 0.321 0.000 . 1 . . . . A 195 ILE HD11 . 36181 1 741 . 1 1 88 88 ILE HD12 H 1 0.321 0.000 . 1 . . . . A 195 ILE HD12 . 36181 1 742 . 1 1 88 88 ILE HD13 H 1 0.321 0.000 . 1 . . . . A 195 ILE HD13 . 36181 1 743 . 1 1 88 88 ILE CB C 13 39.003 0.000 . 1 . . . . A 195 ILE CB . 36181 1 744 . 1 1 88 88 ILE CG1 C 13 27.322 0.000 . 1 . . . . A 195 ILE CG1 . 36181 1 745 . 1 1 88 88 ILE CG2 C 13 18.617 0.000 . 1 . . . . A 195 ILE CG2 . 36181 1 746 . 1 1 88 88 ILE CD1 C 13 12.186 0.000 . 1 . . . . A 195 ILE CD1 . 36181 1 747 . 1 1 88 88 ILE N N 15 114.843 0.000 . 1 . . . . A 195 ILE N . 36181 1 748 . 1 1 89 89 PRO HA H 1 4.092 0.000 . 1 . . . . A 196 PRO HA . 36181 1 749 . 1 1 89 89 PRO HB2 H 1 2.095 0.000 . 1 . . . . A 196 PRO HB2 . 36181 1 750 . 1 1 89 89 PRO HD2 H 1 3.330 0.000 . 2 . . . . A 196 PRO HD2 . 36181 1 751 . 1 1 89 89 PRO HD3 H 1 3.330 0.000 . 2 . . . . A 196 PRO HD3 . 36181 1 752 . 1 1 89 89 PRO CA C 13 62.777 0.000 . 1 . . . . A 196 PRO CA . 36181 1 753 . 1 1 89 89 PRO CB C 13 32.375 0.000 . 1 . . . . A 196 PRO CB . 36181 1 754 . 1 1 89 89 PRO CD C 13 50.635 0.000 . 1 . . . . A 196 PRO CD . 36181 1 755 . 1 1 90 90 GLY H H 1 8.479 0.000 . 1 . . . . A 197 GLY H . 36181 1 756 . 1 1 90 90 GLY HA2 H 1 3.749 0.000 . 2 . . . . A 197 GLY HA2 . 36181 1 757 . 1 1 90 90 GLY HA3 H 1 3.749 0.000 . 2 . . . . A 197 GLY HA3 . 36181 1 758 . 1 1 90 90 GLY CA C 13 45.737 0.000 . 1 . . . . A 197 GLY CA . 36181 1 759 . 1 1 90 90 GLY N N 15 112.453 0.000 . 1 . . . . A 197 GLY N . 36181 1 760 . 1 1 91 91 PHE H H 1 7.736 0.000 . 1 . . . . A 198 PHE H . 36181 1 761 . 1 1 91 91 PHE HA H 1 4.129 0.000 . 1 . . . . A 198 PHE HA . 36181 1 762 . 1 1 91 91 PHE HB2 H 1 1.984 0.000 . 2 . . . . A 198 PHE HB2 . 36181 1 763 . 1 1 91 91 PHE HB3 H 1 1.984 0.000 . 2 . . . . A 198 PHE HB3 . 36181 1 764 . 1 1 91 91 PHE CA C 13 61.304 0.000 . 1 . . . . A 198 PHE CA . 36181 1 765 . 1 1 91 91 PHE CB C 13 39.438 0.000 . 1 . . . . A 198 PHE CB . 36181 1 766 . 1 1 91 91 PHE N N 15 122.627 0.000 . 1 . . . . A 198 PHE N . 36181 1 767 . 1 1 92 92 GLU H H 1 8.475 0.000 . 1 . . . . A 199 GLU H . 36181 1 768 . 1 1 92 92 GLU HA H 1 4.688 0.000 . 1 . . . . A 199 GLU HA . 36181 1 769 . 1 1 92 92 GLU HB2 H 1 1.909 0.000 . 1 . . . . A 199 GLU HB2 . 36181 1 770 . 1 1 92 92 GLU HB3 H 1 1.758 0.000 . 1 . . . . A 199 GLU HB3 . 36181 1 771 . 1 1 92 92 GLU CA C 13 56.401 0.000 . 1 . . . . A 199 GLU CA . 36181 1 772 . 1 1 92 92 GLU CB C 13 32.975 0.000 . 1 . . . . A 199 GLU CB . 36181 1 773 . 1 1 92 92 GLU N N 15 123.452 0.000 . 1 . . . . A 199 GLU N . 36181 1 774 . 1 1 93 93 ASP H H 1 7.941 0.000 . 1 . . . . A 200 ASP H . 36181 1 775 . 1 1 93 93 ASP HA H 1 4.227 0.000 . 1 . . . . A 200 ASP HA . 36181 1 776 . 1 1 93 93 ASP HB3 H 1 2.515 0.000 . 1 . . . . A 200 ASP HB3 . 36181 1 777 . 1 1 93 93 ASP CA C 13 57.121 0.000 . 1 . . . . A 200 ASP CA . 36181 1 778 . 1 1 93 93 ASP CB C 13 40.303 0.000 . 1 . . . . A 200 ASP CB . 36181 1 779 . 1 1 93 93 ASP N N 15 119.785 0.000 . 1 . . . . A 200 ASP N . 36181 1 780 . 1 1 94 94 GLY H H 1 7.408 0.000 . 1 . . . . A 201 GLY H . 36181 1 781 . 1 1 94 94 GLY HA2 H 1 4.125 0.000 . 1 . . . . A 201 GLY HA2 . 36181 1 782 . 1 1 94 94 GLY HA3 H 1 3.606 0.000 . 2 . . . . A 201 GLY HA3 . 36181 1 783 . 1 1 94 94 GLY CA C 13 46.110 0.005 . 1 . . . . A 201 GLY CA . 36181 1 784 . 1 1 94 94 GLY N N 15 103.104 0.000 . 1 . . . . A 201 GLY N . 36181 1 785 . 1 1 95 95 ILE H H 1 7.349 0.000 . 1 . . . . A 202 ILE H . 36181 1 786 . 1 1 95 95 ILE HA H 1 3.874 0.000 . 1 . . . . A 202 ILE HA . 36181 1 787 . 1 1 95 95 ILE HB H 1 1.943 0.000 . 1 . . . . A 202 ILE HB . 36181 1 788 . 1 1 95 95 ILE HG12 H 1 1.163 0.001 . 2 . . . . A 202 ILE HG12 . 36181 1 789 . 1 1 95 95 ILE HG13 H 1 1.163 0.001 . 2 . . . . A 202 ILE HG13 . 36181 1 790 . 1 1 95 95 ILE HD11 H 1 0.757 0.000 . 1 . . . . A 202 ILE HD11 . 36181 1 791 . 1 1 95 95 ILE HD12 H 1 0.757 0.000 . 1 . . . . A 202 ILE HD12 . 36181 1 792 . 1 1 95 95 ILE HD13 H 1 0.757 0.000 . 1 . . . . A 202 ILE HD13 . 36181 1 793 . 1 1 95 95 ILE CA C 13 63.208 0.000 . 1 . . . . A 202 ILE CA . 36181 1 794 . 1 1 95 95 ILE CB C 13 38.789 0.000 . 1 . . . . A 202 ILE CB . 36181 1 795 . 1 1 95 95 ILE CG1 C 13 29.074 0.000 . 1 . . . . A 202 ILE CG1 . 36181 1 796 . 1 1 95 95 ILE CD1 C 13 14.006 0.000 . 1 . . . . A 202 ILE CD1 . 36181 1 797 . 1 1 95 95 ILE N N 15 119.129 0.000 . 1 . . . . A 202 ILE N . 36181 1 798 . 1 1 96 96 LYS H H 1 7.032 0.000 . 1 . . . . A 203 LYS H . 36181 1 799 . 1 1 96 96 LYS HA H 1 3.564 0.000 . 1 . . . . A 203 LYS HA . 36181 1 800 . 1 1 96 96 LYS HB2 H 1 1.627 0.000 . 2 . . . . A 203 LYS HB2 . 36181 1 801 . 1 1 96 96 LYS HB3 H 1 1.627 0.000 . 2 . . . . A 203 LYS HB3 . 36181 1 802 . 1 1 96 96 LYS HG3 H 1 1.102 0.000 . 1 . . . . A 203 LYS HG3 . 36181 1 803 . 1 1 96 96 LYS HD2 H 1 1.590 0.000 . 2 . . . . A 203 LYS HD2 . 36181 1 804 . 1 1 96 96 LYS HD3 H 1 1.590 0.000 . 2 . . . . A 203 LYS HD3 . 36181 1 805 . 1 1 96 96 LYS HE2 H 1 2.918 0.000 . 2 . . . . A 203 LYS HE2 . 36181 1 806 . 1 1 96 96 LYS HE3 H 1 2.918 0.000 . 2 . . . . A 203 LYS HE3 . 36181 1 807 . 1 1 96 96 LYS CA C 13 58.539 0.000 . 1 . . . . A 203 LYS CA . 36181 1 808 . 1 1 96 96 LYS CB C 13 33.196 0.000 . 1 . . . . A 203 LYS CB . 36181 1 809 . 1 1 96 96 LYS CG C 13 25.970 0.000 . 1 . . . . A 203 LYS CG . 36181 1 810 . 1 1 96 96 LYS CD C 13 29.526 0.000 . 1 . . . . A 203 LYS CD . 36181 1 811 . 1 1 96 96 LYS CE C 13 42.080 0.000 . 1 . . . . A 203 LYS CE . 36181 1 812 . 1 1 96 96 LYS N N 15 117.394 0.000 . 1 . . . . A 203 LYS N . 36181 1 813 . 1 1 97 97 GLY H H 1 8.928 0.000 . 1 . . . . A 204 GLY H . 36181 1 814 . 1 1 97 97 GLY HA2 H 1 4.241 0.000 . 1 . . . . A 204 GLY HA2 . 36181 1 815 . 1 1 97 97 GLY CA C 13 45.436 0.000 . 1 . . . . A 204 GLY CA . 36181 1 816 . 1 1 97 97 GLY N N 15 109.305 0.000 . 1 . . . . A 204 GLY N . 36181 1 817 . 1 1 98 98 HIS H H 1 7.500 0.000 . 1 . . . . A 205 HIS H . 36181 1 818 . 1 1 98 98 HIS HA H 1 4.654 0.000 . 1 . . . . A 205 HIS HA . 36181 1 819 . 1 1 98 98 HIS HB2 H 1 2.863 0.000 . 1 . . . . A 205 HIS HB2 . 36181 1 820 . 1 1 98 98 HIS HD2 H 1 6.571 0.002 . 1 . . . . A 205 HIS HD2 . 36181 1 821 . 1 1 98 98 HIS CA C 13 55.714 0.000 . 1 . . . . A 205 HIS CA . 36181 1 822 . 1 1 98 98 HIS CB C 13 30.511 0.060 . 1 . . . . A 205 HIS CB . 36181 1 823 . 1 1 98 98 HIS CD2 C 13 120.959 0.000 . 1 . . . . A 205 HIS CD2 . 36181 1 824 . 1 1 98 98 HIS N N 15 117.802 0.000 . 1 . . . . A 205 HIS N . 36181 1 825 . 1 1 99 99 LYS H H 1 8.620 0.000 . 1 . . . . A 206 LYS H . 36181 1 826 . 1 1 99 99 LYS HA H 1 4.696 0.000 . 1 . . . . A 206 LYS HA . 36181 1 827 . 1 1 99 99 LYS HB2 H 1 1.776 0.000 . 1 . . . . A 206 LYS HB2 . 36181 1 828 . 1 1 99 99 LYS HB3 H 1 1.637 0.000 . 1 . . . . A 206 LYS HB3 . 36181 1 829 . 1 1 99 99 LYS HG2 H 1 1.449 0.000 . 1 . . . . A 206 LYS HG2 . 36181 1 830 . 1 1 99 99 LYS HG3 H 1 1.235 0.000 . 1 . . . . A 206 LYS HG3 . 36181 1 831 . 1 1 99 99 LYS HE2 H 1 2.968 0.000 . 1 . . . . A 206 LYS HE2 . 36181 1 832 . 1 1 99 99 LYS CA C 13 54.745 0.000 . 1 . . . . A 206 LYS CA . 36181 1 833 . 1 1 99 99 LYS CB C 13 36.278 0.013 . 1 . . . . A 206 LYS CB . 36181 1 834 . 1 1 99 99 LYS CG C 13 24.927 0.350 . 1 . . . . A 206 LYS CG . 36181 1 835 . 1 1 99 99 LYS CE C 13 42.174 0.000 . 1 . . . . A 206 LYS CE . 36181 1 836 . 1 1 99 99 LYS N N 15 117.920 0.000 . 1 . . . . A 206 LYS N . 36181 1 837 . 1 1 100 100 ALA H H 1 8.778 0.000 . 1 . . . . A 207 ALA H . 36181 1 838 . 1 1 100 100 ALA HA H 1 3.875 0.000 . 1 . . . . A 207 ALA HA . 36181 1 839 . 1 1 100 100 ALA HB1 H 1 1.389 0.000 . 1 . . . . A 207 ALA HB1 . 36181 1 840 . 1 1 100 100 ALA HB2 H 1 1.389 0.000 . 1 . . . . A 207 ALA HB2 . 36181 1 841 . 1 1 100 100 ALA HB3 H 1 1.389 0.000 . 1 . . . . A 207 ALA HB3 . 36181 1 842 . 1 1 100 100 ALA CA C 13 53.744 0.000 . 1 . . . . A 207 ALA CA . 36181 1 843 . 1 1 100 100 ALA CB C 13 18.010 0.000 . 1 . . . . A 207 ALA CB . 36181 1 844 . 1 1 100 100 ALA N N 15 121.121 0.000 . 1 . . . . A 207 ALA N . 36181 1 845 . 1 1 101 101 GLY H H 1 9.211 0.000 . 1 . . . . A 208 GLY H . 36181 1 846 . 1 1 101 101 GLY HA2 H 1 3.845 0.000 . 1 . . . . A 208 GLY HA2 . 36181 1 847 . 1 1 101 101 GLY CA C 13 44.748 0.000 . 1 . . . . A 208 GLY CA . 36181 1 848 . 1 1 101 101 GLY N N 15 110.731 0.000 . 1 . . . . A 208 GLY N . 36181 1 849 . 1 1 102 102 GLU H H 1 7.930 0.000 . 1 . . . . A 209 GLU H . 36181 1 850 . 1 1 102 102 GLU HA H 1 4.618 0.000 . 1 . . . . A 209 GLU HA . 36181 1 851 . 1 1 102 102 GLU HB2 H 1 2.314 0.003 . 1 . . . . A 209 GLU HB2 . 36181 1 852 . 1 1 102 102 GLU HG2 H 1 2.605 0.000 . 1 . . . . A 209 GLU HG2 . 36181 1 853 . 1 1 102 102 GLU HG3 H 1 2.370 0.000 . 1 . . . . A 209 GLU HG3 . 36181 1 854 . 1 1 102 102 GLU CA C 13 57.225 0.000 . 1 . . . . A 209 GLU CA . 36181 1 855 . 1 1 102 102 GLU CB C 13 32.652 0.000 . 1 . . . . A 209 GLU CB . 36181 1 856 . 1 1 102 102 GLU CG C 13 38.268 0.010 . 1 . . . . A 209 GLU CG . 36181 1 857 . 1 1 102 102 GLU N N 15 120.038 0.000 . 1 . . . . A 209 GLU N . 36181 1 858 . 1 1 103 103 GLU H H 1 8.303 0.006 . 1 . . . . A 210 GLU H . 36181 1 859 . 1 1 103 103 GLU HA H 1 5.385 0.016 . 1 . . . . A 210 GLU HA . 36181 1 860 . 1 1 103 103 GLU HB2 H 1 2.046 0.020 . 1 . . . . A 210 GLU HB2 . 36181 1 861 . 1 1 103 103 GLU HG2 H 1 2.193 0.000 . 1 . . . . A 210 GLU HG2 . 36181 1 862 . 1 1 103 103 GLU HG3 H 1 2.092 0.000 . 1 . . . . A 210 GLU HG3 . 36181 1 863 . 1 1 103 103 GLU CA C 13 54.682 0.000 . 1 . . . . A 210 GLU CA . 36181 1 864 . 1 1 103 103 GLU CB C 13 32.366 0.000 . 1 . . . . A 210 GLU CB . 36181 1 865 . 1 1 103 103 GLU CG C 13 36.771 0.005 . 1 . . . . A 210 GLU CG . 36181 1 866 . 1 1 103 103 GLU N N 15 119.625 0.000 . 1 . . . . A 210 GLU N . 36181 1 867 . 1 1 104 104 PHE H H 1 8.264 0.000 . 1 . . . . A 211 PHE H . 36181 1 868 . 1 1 104 104 PHE HA H 1 4.968 0.000 . 1 . . . . A 211 PHE HA . 36181 1 869 . 1 1 104 104 PHE HB2 H 1 3.169 0.000 . 1 . . . . A 211 PHE HB2 . 36181 1 870 . 1 1 104 104 PHE HB3 H 1 2.951 0.000 . 1 . . . . A 211 PHE HB3 . 36181 1 871 . 1 1 104 104 PHE HD1 H 1 7.271 0.551 . 3 . . . . A 211 PHE HD1 . 36181 1 872 . 1 1 104 104 PHE HD2 H 1 7.271 0.551 . 3 . . . . A 211 PHE HD2 . 36181 1 873 . 1 1 104 104 PHE HE1 H 1 7.309 0.048 . 3 . . . . A 211 PHE HE1 . 36181 1 874 . 1 1 104 104 PHE HE2 H 1 7.309 0.048 . 3 . . . . A 211 PHE HE2 . 36181 1 875 . 1 1 104 104 PHE CA C 13 55.739 0.000 . 1 . . . . A 211 PHE CA . 36181 1 876 . 1 1 104 104 PHE CB C 13 38.928 0.004 . 1 . . . . A 211 PHE CB . 36181 1 877 . 1 1 104 104 PHE CD1 C 13 129.858 0.000 . 3 . . . . A 211 PHE CD1 . 36181 1 878 . 1 1 104 104 PHE CD2 C 13 129.858 0.000 . 3 . . . . A 211 PHE CD2 . 36181 1 879 . 1 1 104 104 PHE CE1 C 13 129.494 0.000 . 3 . . . . A 211 PHE CE1 . 36181 1 880 . 1 1 104 104 PHE CE2 C 13 129.494 0.000 . 3 . . . . A 211 PHE CE2 . 36181 1 881 . 1 1 104 104 PHE N N 15 120.300 0.000 . 1 . . . . A 211 PHE N . 36181 1 882 . 1 1 105 105 THR H H 1 8.771 0.000 . 1 . . . . A 212 THR H . 36181 1 883 . 1 1 105 105 THR HA H 1 5.517 0.020 . 1 . . . . A 212 THR HA . 36181 1 884 . 1 1 105 105 THR HB H 1 3.938 0.000 . 1 . . . . A 212 THR HB . 36181 1 885 . 1 1 105 105 THR HG21 H 1 1.088 0.000 . 1 . . . . A 212 THR HG21 . 36181 1 886 . 1 1 105 105 THR HG22 H 1 1.088 0.000 . 1 . . . . A 212 THR HG22 . 36181 1 887 . 1 1 105 105 THR HG23 H 1 1.088 0.000 . 1 . . . . A 212 THR HG23 . 36181 1 888 . 1 1 105 105 THR CA C 13 60.837 0.000 . 1 . . . . A 212 THR CA . 36181 1 889 . 1 1 105 105 THR CB C 13 71.038 0.000 . 1 . . . . A 212 THR CB . 36181 1 890 . 1 1 105 105 THR CG2 C 13 22.026 0.000 . 1 . . . . A 212 THR CG2 . 36181 1 891 . 1 1 105 105 THR N N 15 115.388 0.000 . 1 . . . . A 212 THR N . 36181 1 892 . 1 1 106 106 ILE H H 1 8.962 0.000 . 1 . . . . A 213 ILE H . 36181 1 893 . 1 1 106 106 ILE HA H 1 4.792 0.000 . 1 . . . . A 213 ILE HA . 36181 1 894 . 1 1 106 106 ILE HB H 1 1.873 0.000 . 1 . . . . A 213 ILE HB . 36181 1 895 . 1 1 106 106 ILE HG21 H 1 0.872 0.000 . 1 . . . . A 213 ILE HG21 . 36181 1 896 . 1 1 106 106 ILE HG22 H 1 0.872 0.000 . 1 . . . . A 213 ILE HG22 . 36181 1 897 . 1 1 106 106 ILE HG23 H 1 0.872 0.000 . 1 . . . . A 213 ILE HG23 . 36181 1 898 . 1 1 106 106 ILE HD11 H 1 0.217 0.000 . 1 . . . . A 213 ILE HD11 . 36181 1 899 . 1 1 106 106 ILE HD12 H 1 0.217 0.000 . 1 . . . . A 213 ILE HD12 . 36181 1 900 . 1 1 106 106 ILE HD13 H 1 0.217 0.000 . 1 . . . . A 213 ILE HD13 . 36181 1 901 . 1 1 106 106 ILE CA C 13 59.713 0.000 . 1 . . . . A 213 ILE CA . 36181 1 902 . 1 1 106 106 ILE CB C 13 41.287 0.000 . 1 . . . . A 213 ILE CB . 36181 1 903 . 1 1 106 106 ILE CG2 C 13 18.311 0.000 . 1 . . . . A 213 ILE CG2 . 36181 1 904 . 1 1 106 106 ILE CD1 C 13 14.505 0.000 . 1 . . . . A 213 ILE CD1 . 36181 1 905 . 1 1 106 106 ILE N N 15 120.066 0.000 . 1 . . . . A 213 ILE N . 36181 1 906 . 1 1 107 107 ASP H H 1 8.515 0.000 . 1 . . . . A 214 ASP H . 36181 1 907 . 1 1 107 107 ASP HA H 1 5.431 0.000 . 1 . . . . A 214 ASP HA . 36181 1 908 . 1 1 107 107 ASP HB2 H 1 2.657 0.000 . 1 . . . . A 214 ASP HB2 . 36181 1 909 . 1 1 107 107 ASP HB3 H 1 2.500 0.000 . 1 . . . . A 214 ASP HB3 . 36181 1 910 . 1 1 107 107 ASP CA C 13 53.871 0.000 . 1 . . . . A 214 ASP CA . 36181 1 911 . 1 1 107 107 ASP CB C 13 42.947 0.007 . 1 . . . . A 214 ASP CB . 36181 1 912 . 1 1 107 107 ASP N N 15 123.425 0.000 . 1 . . . . A 214 ASP N . 36181 1 913 . 1 1 108 108 VAL H H 1 8.614 0.002 . 1 . . . . A 215 VAL H . 36181 1 914 . 1 1 108 108 VAL HA H 1 4.550 0.000 . 1 . . . . A 215 VAL HA . 36181 1 915 . 1 1 108 108 VAL HB H 1 1.877 0.000 . 1 . . . . A 215 VAL HB . 36181 1 916 . 1 1 108 108 VAL HG11 H 1 0.595 0.000 . 1 . . . . A 215 VAL HG11 . 36181 1 917 . 1 1 108 108 VAL HG12 H 1 0.595 0.000 . 1 . . . . A 215 VAL HG12 . 36181 1 918 . 1 1 108 108 VAL HG13 H 1 0.595 0.000 . 1 . . . . A 215 VAL HG13 . 36181 1 919 . 1 1 108 108 VAL HG21 H 1 0.657 0.004 . 1 . . . . A 215 VAL HG21 . 36181 1 920 . 1 1 108 108 VAL HG22 H 1 0.657 0.004 . 1 . . . . A 215 VAL HG22 . 36181 1 921 . 1 1 108 108 VAL HG23 H 1 0.657 0.004 . 1 . . . . A 215 VAL HG23 . 36181 1 922 . 1 1 108 108 VAL CA C 13 59.795 0.000 . 1 . . . . A 215 VAL CA . 36181 1 923 . 1 1 108 108 VAL CB C 13 36.357 0.000 . 1 . . . . A 215 VAL CB . 36181 1 924 . 1 1 108 108 VAL CG1 C 13 21.766 0.000 . 1 . . . . A 215 VAL CG1 . 36181 1 925 . 1 1 108 108 VAL CG2 C 13 20.828 0.024 . 1 . . . . A 215 VAL CG2 . 36181 1 926 . 1 1 108 108 VAL N N 15 118.434 0.000 . 1 . . . . A 215 VAL N . 36181 1 927 . 1 1 109 109 THR H H 1 8.624 0.000 . 1 . . . . A 216 THR H . 36181 1 928 . 1 1 109 109 THR HA H 1 4.960 0.000 . 1 . . . . A 216 THR HA . 36181 1 929 . 1 1 109 109 THR HB H 1 3.801 0.046 . 1 . . . . A 216 THR HB . 36181 1 930 . 1 1 109 109 THR HG21 H 1 1.023 0.000 . 1 . . . . A 216 THR HG21 . 36181 1 931 . 1 1 109 109 THR HG22 H 1 1.023 0.000 . 1 . . . . A 216 THR HG22 . 36181 1 932 . 1 1 109 109 THR HG23 H 1 1.023 0.000 . 1 . . . . A 216 THR HG23 . 36181 1 933 . 1 1 109 109 THR CA C 13 61.229 0.000 . 1 . . . . A 216 THR CA . 36181 1 934 . 1 1 109 109 THR CB C 13 70.126 0.000 . 1 . . . . A 216 THR CB . 36181 1 935 . 1 1 109 109 THR CG2 C 13 21.576 0.000 . 1 . . . . A 216 THR CG2 . 36181 1 936 . 1 1 109 109 THR N N 15 120.295 0.000 . 1 . . . . A 216 THR N . 36181 1 937 . 1 1 110 110 PHE H H 1 8.925 0.007 . 1 . . . . A 217 PHE H . 36181 1 938 . 1 1 110 110 PHE HA H 1 4.089 0.000 . 1 . . . . A 217 PHE HA . 36181 1 939 . 1 1 110 110 PHE HB2 H 1 3.212 0.000 . 2 . . . . A 217 PHE HB2 . 36181 1 940 . 1 1 110 110 PHE HB3 H 1 3.212 0.000 . 2 . . . . A 217 PHE HB3 . 36181 1 941 . 1 1 110 110 PHE HD1 H 1 7.232 0.774 . 3 . . . . A 217 PHE HD1 . 36181 1 942 . 1 1 110 110 PHE HD2 H 1 7.232 0.774 . 3 . . . . A 217 PHE HD2 . 36181 1 943 . 1 1 110 110 PHE HE1 H 1 7.343 0.000 . 3 . . . . A 217 PHE HE1 . 36181 1 944 . 1 1 110 110 PHE HE2 H 1 7.343 0.000 . 3 . . . . A 217 PHE HE2 . 36181 1 945 . 1 1 110 110 PHE CA C 13 58.021 0.000 . 1 . . . . A 217 PHE CA . 36181 1 946 . 1 1 110 110 PHE CB C 13 39.563 0.054 . 1 . . . . A 217 PHE CB . 36181 1 947 . 1 1 110 110 PHE N N 15 127.488 0.000 . 1 . . . . A 217 PHE N . 36181 1 948 . 1 1 111 111 PRO HA H 1 4.510 0.000 . 1 . . . . A 218 PRO HA . 36181 1 949 . 1 1 111 111 PRO HB2 H 1 2.622 0.000 . 1 . . . . A 218 PRO HB2 . 36181 1 950 . 1 1 111 111 PRO HB3 H 1 2.151 0.000 . 1 . . . . A 218 PRO HB3 . 36181 1 951 . 1 1 111 111 PRO HG2 H 1 2.178 0.000 . 1 . . . . A 218 PRO HG2 . 36181 1 952 . 1 1 111 111 PRO HG3 H 1 2.224 0.000 . 1 . . . . A 218 PRO HG3 . 36181 1 953 . 1 1 111 111 PRO HD2 H 1 3.894 0.000 . 1 . . . . A 218 PRO HD2 . 36181 1 954 . 1 1 111 111 PRO CA C 13 62.611 0.000 . 1 . . . . A 218 PRO CA . 36181 1 955 . 1 1 111 111 PRO CB C 13 32.665 0.019 . 1 . . . . A 218 PRO CB . 36181 1 956 . 1 1 111 111 PRO CG C 13 27.750 0.018 . 1 . . . . A 218 PRO CG . 36181 1 957 . 1 1 111 111 PRO CD C 13 50.592 0.000 . 1 . . . . A 218 PRO CD . 36181 1 958 . 1 1 112 112 GLU H H 1 8.944 0.000 . 1 . . . . A 219 GLU H . 36181 1 959 . 1 1 112 112 GLU HA H 1 3.887 0.000 . 1 . . . . A 219 GLU HA . 36181 1 960 . 1 1 112 112 GLU HB2 H 1 2.040 0.000 . 1 . . . . A 219 GLU HB2 . 36181 1 961 . 1 1 112 112 GLU HG2 H 1 2.410 0.000 . 2 . . . . A 219 GLU HG2 . 36181 1 962 . 1 1 112 112 GLU HG3 H 1 2.410 0.000 . 2 . . . . A 219 GLU HG3 . 36181 1 963 . 1 1 112 112 GLU CA C 13 59.379 0.000 . 1 . . . . A 219 GLU CA . 36181 1 964 . 1 1 112 112 GLU CB C 13 29.776 0.000 . 1 . . . . A 219 GLU CB . 36181 1 965 . 1 1 112 112 GLU CG C 13 36.519 0.000 . 1 . . . . A 219 GLU CG . 36181 1 966 . 1 1 112 112 GLU N N 15 123.171 0.000 . 1 . . . . A 219 GLU N . 36181 1 967 . 1 1 113 113 GLU HA H 1 4.522 0.000 . 1 . . . . A 220 GLU HA . 36181 1 968 . 1 1 113 113 GLU HB2 H 1 2.165 0.000 . 1 . . . . A 220 GLU HB2 . 36181 1 969 . 1 1 113 113 GLU HB3 H 1 1.947 0.000 . 1 . . . . A 220 GLU HB3 . 36181 1 970 . 1 1 113 113 GLU HG2 H 1 2.256 0.000 . 2 . . . . A 220 GLU HG2 . 36181 1 971 . 1 1 113 113 GLU HG3 H 1 2.256 0.000 . 2 . . . . A 220 GLU HG3 . 36181 1 972 . 1 1 113 113 GLU CA C 13 55.484 0.000 . 1 . . . . A 220 GLU CA . 36181 1 973 . 1 1 113 113 GLU CB C 13 28.632 0.001 . 1 . . . . A 220 GLU CB . 36181 1 974 . 1 1 113 113 GLU CG C 13 36.142 0.000 . 1 . . . . A 220 GLU CG . 36181 1 975 . 1 1 114 114 TYR H H 1 7.478 0.000 . 1 . . . . A 221 TYR H . 36181 1 976 . 1 1 114 114 TYR HA H 1 4.465 0.000 . 1 . . . . A 221 TYR HA . 36181 1 977 . 1 1 114 114 TYR HB3 H 1 2.604 0.000 . 1 . . . . A 221 TYR HB3 . 36181 1 978 . 1 1 114 114 TYR HD2 H 1 7.054 0.000 . 1 . . . . A 221 TYR HD2 . 36181 1 979 . 1 1 114 114 TYR HE2 H 1 6.750 0.000 . 1 . . . . A 221 TYR HE2 . 36181 1 980 . 1 1 114 114 TYR CA C 13 59.304 0.000 . 1 . . . . A 221 TYR CA . 36181 1 981 . 1 1 114 114 TYR CB C 13 40.771 0.000 . 1 . . . . A 221 TYR CB . 36181 1 982 . 1 1 114 114 TYR CD2 C 13 133.509 0.000 . 1 . . . . A 221 TYR CD2 . 36181 1 983 . 1 1 114 114 TYR CE2 C 13 119.871 0.000 . 1 . . . . A 221 TYR CE2 . 36181 1 984 . 1 1 114 114 TYR N N 15 121.891 0.000 . 1 . . . . A 221 TYR N . 36181 1 985 . 1 1 115 115 HIS H H 1 6.798 0.000 . 1 . . . . A 222 HIS H . 36181 1 986 . 1 1 115 115 HIS HA H 1 4.322 0.000 . 1 . . . . A 222 HIS HA . 36181 1 987 . 1 1 115 115 HIS CA C 13 58.237 0.000 . 1 . . . . A 222 HIS CA . 36181 1 988 . 1 1 115 115 HIS N N 15 120.575 0.000 . 1 . . . . A 222 HIS N . 36181 1 989 . 1 1 116 116 ALA HA H 1 4.518 0.000 . 1 . . . . A 223 ALA HA . 36181 1 990 . 1 1 116 116 ALA HB1 H 1 1.137 0.000 . 1 . . . . A 223 ALA HB1 . 36181 1 991 . 1 1 116 116 ALA HB2 H 1 1.137 0.000 . 1 . . . . A 223 ALA HB2 . 36181 1 992 . 1 1 116 116 ALA HB3 H 1 1.137 0.000 . 1 . . . . A 223 ALA HB3 . 36181 1 993 . 1 1 116 116 ALA CA C 13 50.901 0.000 . 1 . . . . A 223 ALA CA . 36181 1 994 . 1 1 116 116 ALA CB C 13 18.536 0.000 . 1 . . . . A 223 ALA CB . 36181 1 995 . 1 1 117 117 GLU H H 1 8.975 0.000 . 1 . . . . A 224 GLU H . 36181 1 996 . 1 1 117 117 GLU HA H 1 3.784 0.000 . 1 . . . . A 224 GLU HA . 36181 1 997 . 1 1 117 117 GLU HB2 H 1 2.074 0.000 . 1 . . . . A 224 GLU HB2 . 36181 1 998 . 1 1 117 117 GLU HB3 H 1 1.982 0.000 . 1 . . . . A 224 GLU HB3 . 36181 1 999 . 1 1 117 117 GLU HG2 H 1 2.293 0.000 . 2 . . . . A 224 GLU HG2 . 36181 1 1000 . 1 1 117 117 GLU HG3 H 1 2.293 0.000 . 2 . . . . A 224 GLU HG3 . 36181 1 1001 . 1 1 117 117 GLU CA C 13 59.711 0.000 . 1 . . . . A 224 GLU CA . 36181 1 1002 . 1 1 117 117 GLU CB C 13 29.677 0.157 . 1 . . . . A 224 GLU CB . 36181 1 1003 . 1 1 117 117 GLU CG C 13 35.821 0.000 . 1 . . . . A 224 GLU CG . 36181 1 1004 . 1 1 117 117 GLU N N 15 126.873 0.000 . 1 . . . . A 224 GLU N . 36181 1 1005 . 1 1 118 118 ASN H H 1 8.759 0.000 . 1 . . . . A 225 ASN H . 36181 1 1006 . 1 1 118 118 ASN HA H 1 4.436 0.000 . 1 . . . . A 225 ASN HA . 36181 1 1007 . 1 1 118 118 ASN HB2 H 1 2.720 0.000 . 1 . . . . A 225 ASN HB2 . 36181 1 1008 . 1 1 118 118 ASN CA C 13 54.433 0.000 . 1 . . . . A 225 ASN CA . 36181 1 1009 . 1 1 118 118 ASN CB C 13 36.855 0.000 . 1 . . . . A 225 ASN CB . 36181 1 1010 . 1 1 118 118 ASN N N 15 112.761 0.000 . 1 . . . . A 225 ASN N . 36181 1 1011 . 1 1 119 119 LEU H H 1 7.055 0.000 . 1 . . . . A 226 LEU H . 36181 1 1012 . 1 1 119 119 LEU HA H 1 4.041 0.000 . 1 . . . . A 226 LEU HA . 36181 1 1013 . 1 1 119 119 LEU HB2 H 1 0.934 0.000 . 2 . . . . A 226 LEU HB2 . 36181 1 1014 . 1 1 119 119 LEU HB3 H 1 0.934 0.000 . 2 . . . . A 226 LEU HB3 . 36181 1 1015 . 1 1 119 119 LEU HG H 1 0.906 0.000 . 1 . . . . A 226 LEU HG . 36181 1 1016 . 1 1 119 119 LEU HD11 H 1 0.037 0.000 . 1 . . . . A 226 LEU HD11 . 36181 1 1017 . 1 1 119 119 LEU HD12 H 1 0.037 0.000 . 1 . . . . A 226 LEU HD12 . 36181 1 1018 . 1 1 119 119 LEU HD13 H 1 0.037 0.000 . 1 . . . . A 226 LEU HD13 . 36181 1 1019 . 1 1 119 119 LEU HD21 H 1 -0.301 0.000 . 1 . . . . A 226 LEU HD21 . 36181 1 1020 . 1 1 119 119 LEU HD22 H 1 -0.301 0.000 . 1 . . . . A 226 LEU HD22 . 36181 1 1021 . 1 1 119 119 LEU HD23 H 1 -0.301 0.000 . 1 . . . . A 226 LEU HD23 . 36181 1 1022 . 1 1 119 119 LEU CA C 13 54.094 0.000 . 1 . . . . A 226 LEU CA . 36181 1 1023 . 1 1 119 119 LEU CB C 13 43.473 0.000 . 1 . . . . A 226 LEU CB . 36181 1 1024 . 1 1 119 119 LEU CG C 13 25.198 0.000 . 1 . . . . A 226 LEU CG . 36181 1 1025 . 1 1 119 119 LEU CD1 C 13 25.031 0.000 . 1 . . . . A 226 LEU CD1 . 36181 1 1026 . 1 1 119 119 LEU CD2 C 13 21.205 0.000 . 1 . . . . A 226 LEU CD2 . 36181 1 1027 . 1 1 119 119 LEU N N 15 117.341 0.000 . 1 . . . . A 226 LEU N . 36181 1 1028 . 1 1 120 120 LYS H H 1 7.047 0.000 . 1 . . . . A 227 LYS H . 36181 1 1029 . 1 1 120 120 LYS HA H 1 3.811 0.000 . 1 . . . . A 227 LYS HA . 36181 1 1030 . 1 1 120 120 LYS HB2 H 1 1.873 0.000 . 1 . . . . A 227 LYS HB2 . 36181 1 1031 . 1 1 120 120 LYS HG2 H 1 1.404 0.000 . 2 . . . . A 227 LYS HG2 . 36181 1 1032 . 1 1 120 120 LYS HG3 H 1 1.404 0.000 . 2 . . . . A 227 LYS HG3 . 36181 1 1033 . 1 1 120 120 LYS HD2 H 1 1.817 0.000 . 2 . . . . A 227 LYS HD2 . 36181 1 1034 . 1 1 120 120 LYS HD3 H 1 1.817 0.000 . 2 . . . . A 227 LYS HD3 . 36181 1 1035 . 1 1 120 120 LYS HE2 H 1 2.976 0.000 . 2 . . . . A 227 LYS HE2 . 36181 1 1036 . 1 1 120 120 LYS HE3 H 1 2.976 0.000 . 2 . . . . A 227 LYS HE3 . 36181 1 1037 . 1 1 120 120 LYS CA C 13 58.158 0.000 . 1 . . . . A 227 LYS CA . 36181 1 1038 . 1 1 120 120 LYS CB C 13 32.698 0.000 . 1 . . . . A 227 LYS CB . 36181 1 1039 . 1 1 120 120 LYS CG C 13 23.846 0.000 . 1 . . . . A 227 LYS CG . 36181 1 1040 . 1 1 120 120 LYS CD C 13 30.004 0.000 . 1 . . . . A 227 LYS CD . 36181 1 1041 . 1 1 120 120 LYS CE C 13 42.318 0.000 . 1 . . . . A 227 LYS CE . 36181 1 1042 . 1 1 120 120 LYS N N 15 117.379 0.000 . 1 . . . . A 227 LYS N . 36181 1 1043 . 1 1 121 121 GLY H H 1 7.187 0.018 . 1 . . . . A 228 GLY H . 36181 1 1044 . 1 1 121 121 GLY HA2 H 1 3.691 0.000 . 1 . . . . A 228 GLY HA2 . 36181 1 1045 . 1 1 121 121 GLY HA3 H 1 4.018 0.016 . 2 . . . . A 228 GLY HA3 . 36181 1 1046 . 1 1 121 121 GLY CA C 13 46.096 0.039 . 1 . . . . A 228 GLY CA . 36181 1 1047 . 1 1 121 121 GLY N N 15 111.332 0.000 . 1 . . . . A 228 GLY N . 36181 1 1048 . 1 1 122 122 LYS H H 1 7.873 0.010 . 1 . . . . A 229 LYS H . 36181 1 1049 . 1 1 122 122 LYS HB2 H 1 1.878 0.003 . 2 . . . . A 229 LYS HB2 . 36181 1 1050 . 1 1 122 122 LYS HB3 H 1 1.878 0.003 . 2 . . . . A 229 LYS HB3 . 36181 1 1051 . 1 1 122 122 LYS HG2 H 1 1.337 0.025 . 1 . . . . A 229 LYS HG2 . 36181 1 1052 . 1 1 122 122 LYS HG3 H 1 1.147 0.000 . 1 . . . . A 229 LYS HG3 . 36181 1 1053 . 1 1 122 122 LYS HD2 H 1 1.549 0.000 . 1 . . . . A 229 LYS HD2 . 36181 1 1054 . 1 1 122 122 LYS HD3 H 1 1.619 0.000 . 1 . . . . A 229 LYS HD3 . 36181 1 1055 . 1 1 122 122 LYS CB C 13 33.654 0.000 . 1 . . . . A 229 LYS CB . 36181 1 1056 . 1 1 122 122 LYS CG C 13 25.129 0.055 . 1 . . . . A 229 LYS CG . 36181 1 1057 . 1 1 122 122 LYS CD C 13 28.619 0.006 . 1 . . . . A 229 LYS CD . 36181 1 1058 . 1 1 122 122 LYS N N 15 119.212 0.000 . 1 . . . . A 229 LYS N . 36181 1 1059 . 1 1 123 123 ALA H H 1 8.364 0.024 . 1 . . . . A 230 ALA H . 36181 1 1060 . 1 1 123 123 ALA HA H 1 4.831 0.000 . 1 . . . . A 230 ALA HA . 36181 1 1061 . 1 1 123 123 ALA HB1 H 1 1.415 0.000 . 1 . . . . A 230 ALA HB1 . 36181 1 1062 . 1 1 123 123 ALA HB2 H 1 1.415 0.000 . 1 . . . . A 230 ALA HB2 . 36181 1 1063 . 1 1 123 123 ALA HB3 H 1 1.415 0.000 . 1 . . . . A 230 ALA HB3 . 36181 1 1064 . 1 1 123 123 ALA CA C 13 52.069 0.000 . 1 . . . . A 230 ALA CA . 36181 1 1065 . 1 1 123 123 ALA CB C 13 18.778 0.000 . 1 . . . . A 230 ALA CB . 36181 1 1066 . 1 1 123 123 ALA N N 15 123.985 0.000 . 1 . . . . A 230 ALA N . 36181 1 1067 . 1 1 124 124 ALA H H 1 9.302 0.000 . 1 . . . . A 231 ALA H . 36181 1 1068 . 1 1 124 124 ALA HA H 1 5.220 0.009 . 1 . . . . A 231 ALA HA . 36181 1 1069 . 1 1 124 124 ALA HB1 H 1 1.273 0.014 . 1 . . . . A 231 ALA HB1 . 36181 1 1070 . 1 1 124 124 ALA HB2 H 1 1.273 0.014 . 1 . . . . A 231 ALA HB2 . 36181 1 1071 . 1 1 124 124 ALA HB3 H 1 1.273 0.014 . 1 . . . . A 231 ALA HB3 . 36181 1 1072 . 1 1 124 124 ALA CA C 13 50.367 0.012 . 1 . . . . A 231 ALA CA . 36181 1 1073 . 1 1 124 124 ALA CB C 13 24.252 0.000 . 1 . . . . A 231 ALA CB . 36181 1 1074 . 1 1 124 124 ALA N N 15 126.826 0.000 . 1 . . . . A 231 ALA N . 36181 1 1075 . 1 1 125 125 LYS H H 1 8.687 0.009 . 1 . . . . A 232 LYS H . 36181 1 1076 . 1 1 125 125 LYS HA H 1 5.440 0.000 . 1 . . . . A 232 LYS HA . 36181 1 1077 . 1 1 125 125 LYS HB2 H 1 1.549 0.000 . 2 . . . . A 232 LYS HB2 . 36181 1 1078 . 1 1 125 125 LYS HB3 H 1 1.549 0.000 . 2 . . . . A 232 LYS HB3 . 36181 1 1079 . 1 1 125 125 LYS HG2 H 1 1.393 0.000 . 2 . . . . A 232 LYS HG2 . 36181 1 1080 . 1 1 125 125 LYS HG3 H 1 1.393 0.000 . 2 . . . . A 232 LYS HG3 . 36181 1 1081 . 1 1 125 125 LYS HD2 H 1 1.657 0.000 . 2 . . . . A 232 LYS HD2 . 36181 1 1082 . 1 1 125 125 LYS HD3 H 1 1.657 0.000 . 2 . . . . A 232 LYS HD3 . 36181 1 1083 . 1 1 125 125 LYS HE2 H 1 3.002 0.000 . 2 . . . . A 232 LYS HE2 . 36181 1 1084 . 1 1 125 125 LYS HE3 H 1 3.002 0.000 . 2 . . . . A 232 LYS HE3 . 36181 1 1085 . 1 1 125 125 LYS CA C 13 54.429 0.000 . 1 . . . . A 232 LYS CA . 36181 1 1086 . 1 1 125 125 LYS CB C 13 36.137 0.000 . 1 . . . . A 232 LYS CB . 36181 1 1087 . 1 1 125 125 LYS CG C 13 24.997 0.000 . 1 . . . . A 232 LYS CG . 36181 1 1088 . 1 1 125 125 LYS CD C 13 29.218 0.000 . 1 . . . . A 232 LYS CD . 36181 1 1089 . 1 1 125 125 LYS CE C 13 42.028 0.000 . 1 . . . . A 232 LYS CE . 36181 1 1090 . 1 1 125 125 LYS N N 15 120.489 0.000 . 1 . . . . A 232 LYS N . 36181 1 1091 . 1 1 126 126 PHE H H 1 9.118 0.032 . 1 . . . . A 233 PHE H . 36181 1 1092 . 1 1 126 126 PHE HA H 1 5.224 0.033 . 1 . . . . A 233 PHE HA . 36181 1 1093 . 1 1 126 126 PHE HB2 H 1 2.630 0.000 . 1 . . . . A 233 PHE HB2 . 36181 1 1094 . 1 1 126 126 PHE HB3 H 1 2.434 0.000 . 1 . . . . A 233 PHE HB3 . 36181 1 1095 . 1 1 126 126 PHE HD1 H 1 6.965 0.000 . 3 . . . . A 233 PHE HD1 . 36181 1 1096 . 1 1 126 126 PHE HD2 H 1 6.961 0.024 . 1 . . . . A 233 PHE HD2 . 36181 1 1097 . 1 1 126 126 PHE HE2 H 1 7.139 0.020 . 1 . . . . A 233 PHE HE2 . 36181 1 1098 . 1 1 126 126 PHE CA C 13 56.846 0.000 . 1 . . . . A 233 PHE CA . 36181 1 1099 . 1 1 126 126 PHE CB C 13 42.207 0.042 . 1 . . . . A 233 PHE CB . 36181 1 1100 . 1 1 126 126 PHE CD2 C 13 130.398 0.000 . 1 . . . . A 233 PHE CD2 . 36181 1 1101 . 1 1 126 126 PHE CE2 C 13 131.728 0.000 . 1 . . . . A 233 PHE CE2 . 36181 1 1102 . 1 1 126 126 PHE N N 15 118.819 0.000 . 1 . . . . A 233 PHE N . 36181 1 1103 . 1 1 127 127 ALA H H 1 8.588 0.010 . 1 . . . . A 234 ALA H . 36181 1 1104 . 1 1 127 127 ALA HA H 1 4.633 0.008 . 1 . . . . A 234 ALA HA . 36181 1 1105 . 1 1 127 127 ALA HB1 H 1 1.369 0.030 . 1 . . . . A 234 ALA HB1 . 36181 1 1106 . 1 1 127 127 ALA HB2 H 1 1.369 0.030 . 1 . . . . A 234 ALA HB2 . 36181 1 1107 . 1 1 127 127 ALA HB3 H 1 1.369 0.030 . 1 . . . . A 234 ALA HB3 . 36181 1 1108 . 1 1 127 127 ALA CA C 13 51.761 0.021 . 1 . . . . A 234 ALA CA . 36181 1 1109 . 1 1 127 127 ALA CB C 13 18.979 0.000 . 1 . . . . A 234 ALA CB . 36181 1 1110 . 1 1 127 127 ALA N N 15 128.097 0.000 . 1 . . . . A 234 ALA N . 36181 1 1111 . 1 1 128 128 ILE H H 1 9.149 0.019 . 1 . . . . A 235 ILE H . 36181 1 1112 . 1 1 128 128 ILE HA H 1 4.772 0.000 . 1 . . . . A 235 ILE HA . 36181 1 1113 . 1 1 128 128 ILE HG12 H 1 0.879 0.026 . 2 . . . . A 235 ILE HG12 . 36181 1 1114 . 1 1 128 128 ILE HG13 H 1 0.879 0.026 . 2 . . . . A 235 ILE HG13 . 36181 1 1115 . 1 1 128 128 ILE HG21 H 1 0.489 0.021 . 1 . . . . A 235 ILE HG21 . 36181 1 1116 . 1 1 128 128 ILE HG22 H 1 0.489 0.021 . 1 . . . . A 235 ILE HG22 . 36181 1 1117 . 1 1 128 128 ILE HG23 H 1 0.489 0.021 . 1 . . . . A 235 ILE HG23 . 36181 1 1118 . 1 1 128 128 ILE CA C 13 58.633 0.000 . 1 . . . . A 235 ILE CA . 36181 1 1119 . 1 1 128 128 ILE CG1 C 13 27.329 0.000 . 1 . . . . A 235 ILE CG1 . 36181 1 1120 . 1 1 128 128 ILE CG2 C 13 17.934 0.000 . 1 . . . . A 235 ILE CG2 . 36181 1 1121 . 1 1 128 128 ILE N N 15 126.245 0.000 . 1 . . . . A 235 ILE N . 36181 1 1122 . 1 1 129 129 ASN H H 1 8.540 0.004 . 1 . . . . A 236 ASN H . 36181 1 1123 . 1 1 129 129 ASN HA H 1 4.997 0.000 . 1 . . . . A 236 ASN HA . 36181 1 1124 . 1 1 129 129 ASN HB2 H 1 2.859 0.014 . 1 . . . . A 236 ASN HB2 . 36181 1 1125 . 1 1 129 129 ASN HB3 H 1 2.671 0.000 . 1 . . . . A 236 ASN HB3 . 36181 1 1126 . 1 1 129 129 ASN CA C 13 52.083 0.000 . 1 . . . . A 236 ASN CA . 36181 1 1127 . 1 1 129 129 ASN CB C 13 40.219 0.037 . 1 . . . . A 236 ASN CB . 36181 1 1128 . 1 1 129 129 ASN N N 15 124.159 0.000 . 1 . . . . A 236 ASN N . 36181 1 1129 . 1 1 130 130 LEU H H 1 8.599 0.007 . 1 . . . . A 237 LEU H . 36181 1 1130 . 1 1 130 130 LEU HB3 H 1 1.290 0.000 . 1 . . . . A 237 LEU HB3 . 36181 1 1131 . 1 1 130 130 LEU HG H 1 1.272 0.000 . 1 . . . . A 237 LEU HG . 36181 1 1132 . 1 1 130 130 LEU HD11 H 1 0.836 0.016 . 1 . . . . A 237 LEU HD11 . 36181 1 1133 . 1 1 130 130 LEU HD12 H 1 0.836 0.016 . 1 . . . . A 237 LEU HD12 . 36181 1 1134 . 1 1 130 130 LEU HD13 H 1 0.836 0.016 . 1 . . . . A 237 LEU HD13 . 36181 1 1135 . 1 1 130 130 LEU HD21 H 1 0.946 0.001 . 1 . . . . A 237 LEU HD21 . 36181 1 1136 . 1 1 130 130 LEU HD22 H 1 0.946 0.001 . 1 . . . . A 237 LEU HD22 . 36181 1 1137 . 1 1 130 130 LEU HD23 H 1 0.946 0.001 . 1 . . . . A 237 LEU HD23 . 36181 1 1138 . 1 1 130 130 LEU CB C 13 42.815 0.000 . 1 . . . . A 237 LEU CB . 36181 1 1139 . 1 1 130 130 LEU CG C 13 27.310 0.000 . 1 . . . . A 237 LEU CG . 36181 1 1140 . 1 1 130 130 LEU CD1 C 13 27.160 0.000 . 1 . . . . A 237 LEU CD1 . 36181 1 1141 . 1 1 130 130 LEU CD2 C 13 25.101 0.000 . 1 . . . . A 237 LEU CD2 . 36181 1 1142 . 1 1 130 130 LEU N N 15 127.371 0.000 . 1 . . . . A 237 LEU N . 36181 1 1143 . 1 1 131 131 LYS H H 1 8.701 0.009 . 1 . . . . A 238 LYS H . 36181 1 1144 . 1 1 131 131 LYS HB2 H 1 1.834 0.040 . 1 . . . . A 238 LYS HB2 . 36181 1 1145 . 1 1 131 131 LYS HB3 H 1 1.446 0.018 . 1 . . . . A 238 LYS HB3 . 36181 1 1146 . 1 1 131 131 LYS HG2 H 1 1.228 0.000 . 2 . . . . A 238 LYS HG2 . 36181 1 1147 . 1 1 131 131 LYS HG3 H 1 1.228 0.000 . 2 . . . . A 238 LYS HG3 . 36181 1 1148 . 1 1 131 131 LYS HD2 H 1 1.516 0.007 . 2 . . . . A 238 LYS HD2 . 36181 1 1149 . 1 1 131 131 LYS HD3 H 1 1.516 0.007 . 2 . . . . A 238 LYS HD3 . 36181 1 1150 . 1 1 131 131 LYS HE2 H 1 2.790 0.000 . 2 . . . . A 238 LYS HE2 . 36181 1 1151 . 1 1 131 131 LYS HE3 H 1 2.790 0.000 . 2 . . . . A 238 LYS HE3 . 36181 1 1152 . 1 1 131 131 LYS CB C 13 33.509 0.006 . 1 . . . . A 238 LYS CB . 36181 1 1153 . 1 1 131 131 LYS CG C 13 25.258 0.000 . 1 . . . . A 238 LYS CG . 36181 1 1154 . 1 1 131 131 LYS CD C 13 28.891 0.000 . 1 . . . . A 238 LYS CD . 36181 1 1155 . 1 1 131 131 LYS CE C 13 41.633 0.000 . 1 . . . . A 238 LYS CE . 36181 1 1156 . 1 1 131 131 LYS N N 15 127.441 0.000 . 1 . . . . A 238 LYS N . 36181 1 1157 . 1 1 132 132 LYS H H 1 7.615 0.009 . 1 . . . . A 239 LYS H . 36181 1 1158 . 1 1 132 132 LYS HA H 1 4.476 0.000 . 1 . . . . A 239 LYS HA . 36181 1 1159 . 1 1 132 132 LYS HB2 H 1 1.757 0.000 . 2 . . . . A 239 LYS HB2 . 36181 1 1160 . 1 1 132 132 LYS HB3 H 1 1.757 0.000 . 2 . . . . A 239 LYS HB3 . 36181 1 1161 . 1 1 132 132 LYS HD2 H 1 1.534 0.005 . 2 . . . . A 239 LYS HD2 . 36181 1 1162 . 1 1 132 132 LYS HD3 H 1 1.534 0.005 . 2 . . . . A 239 LYS HD3 . 36181 1 1163 . 1 1 132 132 LYS HE2 H 1 2.806 0.000 . 2 . . . . A 239 LYS HE2 . 36181 1 1164 . 1 1 132 132 LYS HE3 H 1 2.806 0.000 . 2 . . . . A 239 LYS HE3 . 36181 1 1165 . 1 1 132 132 LYS CA C 13 56.616 0.000 . 1 . . . . A 239 LYS CA . 36181 1 1166 . 1 1 132 132 LYS CB C 13 36.242 0.000 . 1 . . . . A 239 LYS CB . 36181 1 1167 . 1 1 132 132 LYS CD C 13 29.333 0.000 . 1 . . . . A 239 LYS CD . 36181 1 1168 . 1 1 132 132 LYS CE C 13 41.627 0.000 . 1 . . . . A 239 LYS CE . 36181 1 1169 . 1 1 132 132 LYS N N 15 117.750 0.000 . 1 . . . . A 239 LYS N . 36181 1 1170 . 1 1 133 133 VAL H H 1 9.169 0.012 . 1 . . . . A 240 VAL H . 36181 1 1171 . 1 1 133 133 VAL HA H 1 4.615 0.000 . 1 . . . . A 240 VAL HA . 36181 1 1172 . 1 1 133 133 VAL HB H 1 2.283 0.009 . 1 . . . . A 240 VAL HB . 36181 1 1173 . 1 1 133 133 VAL HG11 H 1 1.054 0.000 . 1 . . . . A 240 VAL HG11 . 36181 1 1174 . 1 1 133 133 VAL HG12 H 1 1.054 0.000 . 1 . . . . A 240 VAL HG12 . 36181 1 1175 . 1 1 133 133 VAL HG13 H 1 1.054 0.000 . 1 . . . . A 240 VAL HG13 . 36181 1 1176 . 1 1 133 133 VAL HG21 H 1 1.024 0.011 . 1 . . . . A 240 VAL HG21 . 36181 1 1177 . 1 1 133 133 VAL HG22 H 1 1.024 0.011 . 1 . . . . A 240 VAL HG22 . 36181 1 1178 . 1 1 133 133 VAL HG23 H 1 1.024 0.011 . 1 . . . . A 240 VAL HG23 . 36181 1 1179 . 1 1 133 133 VAL CA C 13 62.129 0.000 . 1 . . . . A 240 VAL CA . 36181 1 1180 . 1 1 133 133 VAL CB C 13 34.563 0.000 . 1 . . . . A 240 VAL CB . 36181 1 1181 . 1 1 133 133 VAL CG1 C 13 22.874 0.000 . 1 . . . . A 240 VAL CG1 . 36181 1 1182 . 1 1 133 133 VAL CG2 C 13 22.994 0.000 . 1 . . . . A 240 VAL CG2 . 36181 1 1183 . 1 1 133 133 VAL N N 15 126.422 0.000 . 1 . . . . A 240 VAL N . 36181 1 1184 . 1 1 134 134 GLU H H 1 9.361 0.009 . 1 . . . . A 241 GLU H . 36181 1 1185 . 1 1 134 134 GLU HA H 1 5.336 0.000 . 1 . . . . A 241 GLU HA . 36181 1 1186 . 1 1 134 134 GLU HB2 H 1 1.918 0.000 . 2 . . . . A 241 GLU HB2 . 36181 1 1187 . 1 1 134 134 GLU HB3 H 1 1.918 0.000 . 2 . . . . A 241 GLU HB3 . 36181 1 1188 . 1 1 134 134 GLU HG2 H 1 2.271 0.000 . 2 . . . . A 241 GLU HG2 . 36181 1 1189 . 1 1 134 134 GLU HG3 H 1 2.271 0.000 . 2 . . . . A 241 GLU HG3 . 36181 1 1190 . 1 1 134 134 GLU CA C 13 54.149 0.000 . 1 . . . . A 241 GLU CA . 36181 1 1191 . 1 1 134 134 GLU CB C 13 30.307 0.000 . 1 . . . . A 241 GLU CB . 36181 1 1192 . 1 1 134 134 GLU CG C 13 37.299 0.000 . 1 . . . . A 241 GLU CG . 36181 1 1193 . 1 1 134 134 GLU N N 15 124.964 0.000 . 1 . . . . A 241 GLU N . 36181 1 1194 . 1 1 135 135 GLU H H 1 9.529 0.000 . 1 . . . . A 242 GLU H . 36181 1 1195 . 1 1 135 135 GLU HA H 1 4.454 0.000 . 1 . . . . A 242 GLU HA . 36181 1 1196 . 1 1 135 135 GLU HB2 H 1 2.175 0.000 . 1 . . . . A 242 GLU HB2 . 36181 1 1197 . 1 1 135 135 GLU HB3 H 1 1.893 0.000 . 1 . . . . A 242 GLU HB3 . 36181 1 1198 . 1 1 135 135 GLU CA C 13 52.836 0.000 . 1 . . . . A 242 GLU CA . 36181 1 1199 . 1 1 135 135 GLU CB C 13 34.082 0.026 . 1 . . . . A 242 GLU CB . 36181 1 1200 . 1 1 135 135 GLU N N 15 117.513 0.000 . 1 . . . . A 242 GLU N . 36181 1 1201 . 1 1 136 136 ARG H H 1 8.475 0.000 . 1 . . . . A 243 ARG H . 36181 1 1202 . 1 1 136 136 ARG HB2 H 1 1.052 0.000 . 1 . . . . A 243 ARG HB2 . 36181 1 1203 . 1 1 136 136 ARG HB3 H 1 1.173 0.000 . 1 . . . . A 243 ARG HB3 . 36181 1 1204 . 1 1 136 136 ARG HG2 H 1 0.573 0.000 . 1 . . . . A 243 ARG HG2 . 36181 1 1205 . 1 1 136 136 ARG HG3 H 1 0.755 0.000 . 1 . . . . A 243 ARG HG3 . 36181 1 1206 . 1 1 136 136 ARG CB C 13 30.324 0.000 . 1 . . . . A 243 ARG CB . 36181 1 1207 . 1 1 136 136 ARG CG C 13 26.908 0.000 . 1 . . . . A 243 ARG CG . 36181 1 1208 . 1 1 136 136 ARG N N 15 123.583 0.000 . 1 . . . . A 243 ARG N . 36181 1 1209 . 1 1 137 137 GLU HA H 1 4.204 0.000 . 1 . . . . A 244 GLU HA . 36181 1 1210 . 1 1 137 137 GLU HB2 H 1 1.815 0.000 . 2 . . . . A 244 GLU HB2 . 36181 1 1211 . 1 1 137 137 GLU HB3 H 1 1.815 0.000 . 2 . . . . A 244 GLU HB3 . 36181 1 1212 . 1 1 137 137 GLU HG2 H 1 1.966 0.000 . 2 . . . . A 244 GLU HG2 . 36181 1 1213 . 1 1 137 137 GLU HG3 H 1 1.966 0.000 . 2 . . . . A 244 GLU HG3 . 36181 1 1214 . 1 1 137 137 GLU CA C 13 56.084 0.000 . 1 . . . . A 244 GLU CA . 36181 1 1215 . 1 1 137 137 GLU CB C 13 30.812 0.000 . 1 . . . . A 244 GLU CB . 36181 1 1216 . 1 1 137 137 GLU CG C 13 36.738 0.000 . 1 . . . . A 244 GLU CG . 36181 1 1217 . 1 1 138 138 LEU H H 1 8.506 0.000 . 1 . . . . A 245 LEU H . 36181 1 1218 . 1 1 138 138 LEU HA H 1 4.597 0.000 . 1 . . . . A 245 LEU HA . 36181 1 1219 . 1 1 138 138 LEU HB2 H 1 1.549 0.000 . 2 . . . . A 245 LEU HB2 . 36181 1 1220 . 1 1 138 138 LEU HB3 H 1 1.549 0.000 . 2 . . . . A 245 LEU HB3 . 36181 1 1221 . 1 1 138 138 LEU HG H 1 1.545 0.000 . 1 . . . . A 245 LEU HG . 36181 1 1222 . 1 1 138 138 LEU HD11 H 1 0.884 0.000 . 1 . . . . A 245 LEU HD11 . 36181 1 1223 . 1 1 138 138 LEU HD12 H 1 0.884 0.000 . 1 . . . . A 245 LEU HD12 . 36181 1 1224 . 1 1 138 138 LEU HD13 H 1 0.884 0.000 . 1 . . . . A 245 LEU HD13 . 36181 1 1225 . 1 1 138 138 LEU HD21 H 1 0.858 0.000 . 1 . . . . A 245 LEU HD21 . 36181 1 1226 . 1 1 138 138 LEU HD22 H 1 0.858 0.000 . 1 . . . . A 245 LEU HD22 . 36181 1 1227 . 1 1 138 138 LEU HD23 H 1 0.858 0.000 . 1 . . . . A 245 LEU HD23 . 36181 1 1228 . 1 1 138 138 LEU CA C 13 52.623 0.000 . 1 . . . . A 245 LEU CA . 36181 1 1229 . 1 1 138 138 LEU CB C 13 41.745 0.000 . 1 . . . . A 245 LEU CB . 36181 1 1230 . 1 1 138 138 LEU CG C 13 27.027 0.000 . 1 . . . . A 245 LEU CG . 36181 1 1231 . 1 1 138 138 LEU CD1 C 13 25.219 0.000 . 1 . . . . A 245 LEU CD1 . 36181 1 1232 . 1 1 138 138 LEU CD2 C 13 23.377 0.000 . 1 . . . . A 245 LEU CD2 . 36181 1 1233 . 1 1 138 138 LEU N N 15 126.880 0.000 . 1 . . . . A 245 LEU N . 36181 1 1234 . 1 1 139 139 PRO HA H 1 4.366 0.000 . 1 . . . . A 246 PRO HA . 36181 1 1235 . 1 1 139 139 PRO HB3 H 1 1.865 0.000 . 1 . . . . A 246 PRO HB3 . 36181 1 1236 . 1 1 139 139 PRO HG2 H 1 1.968 0.000 . 2 . . . . A 246 PRO HG2 . 36181 1 1237 . 1 1 139 139 PRO HG3 H 1 1.968 0.000 . 2 . . . . A 246 PRO HG3 . 36181 1 1238 . 1 1 139 139 PRO HD2 H 1 3.729 0.000 . 1 . . . . A 246 PRO HD2 . 36181 1 1239 . 1 1 139 139 PRO HD3 H 1 3.622 0.000 . 1 . . . . A 246 PRO HD3 . 36181 1 1240 . 1 1 139 139 PRO CA C 13 62.634 0.000 . 1 . . . . A 246 PRO CA . 36181 1 1241 . 1 1 139 139 PRO CB C 13 32.123 0.000 . 1 . . . . A 246 PRO CB . 36181 1 1242 . 1 1 139 139 PRO CG C 13 27.272 0.000 . 1 . . . . A 246 PRO CG . 36181 1 1243 . 1 1 139 139 PRO CD C 13 50.516 0.012 . 1 . . . . A 246 PRO CD . 36181 1 1244 . 1 1 140 140 GLU H H 1 8.489 0.000 . 1 . . . . A 247 GLU H . 36181 1 1245 . 1 1 140 140 GLU HA H 1 4.241 0.000 . 1 . . . . A 247 GLU HA . 36181 1 1246 . 1 1 140 140 GLU HB2 H 1 1.984 0.000 . 1 . . . . A 247 GLU HB2 . 36181 1 1247 . 1 1 140 140 GLU CA C 13 56.065 0.000 . 1 . . . . A 247 GLU CA . 36181 1 1248 . 1 1 140 140 GLU CB C 13 30.288 0.032 . 1 . . . . A 247 GLU CB . 36181 1 1249 . 1 1 140 140 GLU N N 15 120.946 0.000 . 1 . . . . A 247 GLU N . 36181 1 1250 . 1 1 141 141 LEU H H 1 8.342 0.000 . 1 . . . . A 248 LEU H . 36181 1 1251 . 1 1 141 141 LEU HA H 1 4.449 0.000 . 1 . . . . A 248 LEU HA . 36181 1 1252 . 1 1 141 141 LEU HB2 H 1 1.640 0.000 . 1 . . . . A 248 LEU HB2 . 36181 1 1253 . 1 1 141 141 LEU HG H 1 1.559 0.000 . 1 . . . . A 248 LEU HG . 36181 1 1254 . 1 1 141 141 LEU HD11 H 1 0.867 0.000 . 1 . . . . A 248 LEU HD11 . 36181 1 1255 . 1 1 141 141 LEU HD12 H 1 0.867 0.000 . 1 . . . . A 248 LEU HD12 . 36181 1 1256 . 1 1 141 141 LEU HD13 H 1 0.867 0.000 . 1 . . . . A 248 LEU HD13 . 36181 1 1257 . 1 1 141 141 LEU HD21 H 1 0.827 0.000 . 1 . . . . A 248 LEU HD21 . 36181 1 1258 . 1 1 141 141 LEU HD22 H 1 0.827 0.000 . 1 . . . . A 248 LEU HD22 . 36181 1 1259 . 1 1 141 141 LEU HD23 H 1 0.827 0.000 . 1 . . . . A 248 LEU HD23 . 36181 1 1260 . 1 1 141 141 LEU CA C 13 55.177 0.000 . 1 . . . . A 248 LEU CA . 36181 1 1261 . 1 1 141 141 LEU CB C 13 42.271 0.000 . 1 . . . . A 248 LEU CB . 36181 1 1262 . 1 1 141 141 LEU CG C 13 27.018 0.000 . 1 . . . . A 248 LEU CG . 36181 1 1263 . 1 1 141 141 LEU CD1 C 13 25.201 0.000 . 1 . . . . A 248 LEU CD1 . 36181 1 1264 . 1 1 141 141 LEU CD2 C 13 23.337 0.000 . 1 . . . . A 248 LEU CD2 . 36181 1 1265 . 1 1 141 141 LEU N N 15 123.902 0.000 . 1 . . . . A 248 LEU N . 36181 1 1266 . 1 1 142 142 THR H H 1 7.727 0.000 . 1 . . . . A 249 THR H . 36181 1 1267 . 1 1 142 142 THR HA H 1 4.135 0.000 . 1 . . . . A 249 THR HA . 36181 1 1268 . 1 1 142 142 THR HB H 1 4.227 0.000 . 1 . . . . A 249 THR HB . 36181 1 1269 . 1 1 142 142 THR HG21 H 1 1.114 0.000 . 1 . . . . A 249 THR HG21 . 36181 1 1270 . 1 1 142 142 THR HG22 H 1 1.114 0.000 . 1 . . . . A 249 THR HG22 . 36181 1 1271 . 1 1 142 142 THR HG23 H 1 1.114 0.000 . 1 . . . . A 249 THR HG23 . 36181 1 1272 . 1 1 142 142 THR CA C 13 63.084 0.000 . 1 . . . . A 249 THR CA . 36181 1 1273 . 1 1 142 142 THR CB C 13 70.835 0.000 . 1 . . . . A 249 THR CB . 36181 1 1274 . 1 1 142 142 THR CG2 C 13 21.999 0.000 . 1 . . . . A 249 THR CG2 . 36181 1 1275 . 1 1 142 142 THR N N 15 120.136 0.000 . 1 . . . . A 249 THR N . 36181 1 stop_ save_