data_51514 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51514 _Entry.Title ; Backbone 1H, 13C and 15N chemical shift assignments, experimental 3JHN-HA scalar couplings, and 15N-relaxation rates of the C-terminal portion of human CHMP4C (residues 121-233) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-07-11 _Entry.Accession_date 2022-07-11 _Entry.Last_release_date 2022-07-11 _Entry.Original_release_date 2022-07-11 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _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_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 Ruben Elias . . . 0000-0002-6702-052X 51514 2 Lalit Deshmukh . . . 0000-0001-6126-1560 51514 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51514 coupling_constants 1 51514 heteronucl_T1_relaxation 1 51514 heteronucl_T2_relaxation 1 51514 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 429 51514 '15N chemical shifts' 105 51514 '1H chemical shifts' 375 51514 'T1 relaxation values' 101 51514 'T2 relaxation values' 101 51514 'coupling constants' 100 51514 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 . . 2023-07-28 2022-07-11 update BMRB 'update entry citation' 51514 1 . . 2023-06-06 2022-07-11 original author 'original release' 51514 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 51513 'C-terminal portion of human CHMP4B (residues 121-224)' 51514 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51514 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 37450591 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Reversible phase separation of ESCRT protein ALIX through tyrosine phosphorylation ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Sci. Adv.' _Citation.Journal_name_full 'Science Advances' _Citation.Journal_volume 9 _Citation.Journal_issue 28 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2375-2548 _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first eadg3913 _Citation.Page_last eadg3913 _Citation.Year 2023 _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 Ruben Elias . D. . . 51514 1 2 Yingqi Zu . . . . 51514 1 3 Qi Su . . . . 51514 1 4 Rodolfo Ghirlando . . . . 51514 1 5 Jin Zhang . . . . 51514 1 6 Lalit Deshmukh . . . . 51514 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Cytokinesis 51514 1 ESCRT 51514 1 'Intrinsically Disordered Proteins' 51514 1 'Phase Separation' 51514 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51514 _Assembly.ID 1 _Assembly.Name 'Human CHMP4C' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _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 'Human CHMP4C' 1 $entity_1 . . yes native no no . . . 51514 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51514 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSENMDLNKIDDLMQEITEQ QDIAQEISEAFSQRVGFGDD FDEDELMAELEELEQEELNK KMTNIRLPNVPSCSLPAQPN RKPGMSSTARRSRAASSQRA EEEDDDIKQLAAWAT ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 115 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation S191C _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12975 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'contains two non-native residues at the N-terminus, namely G119 and S120.' _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UNP Q96CF2 . 'Charged multivesicular body protein 4c' . . . . . . . . . . . . . . 51514 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'ESCRT protein' 51514 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 1 119 GLY . 51514 1 2 120 SER . 51514 1 3 121 GLU . 51514 1 4 122 ASN . 51514 1 5 123 MET . 51514 1 6 124 ASP . 51514 1 7 125 LEU . 51514 1 8 126 ASN . 51514 1 9 127 LYS . 51514 1 10 128 ILE . 51514 1 11 129 ASP . 51514 1 12 130 ASP . 51514 1 13 131 LEU . 51514 1 14 132 MET . 51514 1 15 133 GLN . 51514 1 16 134 GLU . 51514 1 17 135 ILE . 51514 1 18 136 THR . 51514 1 19 137 GLU . 51514 1 20 138 GLN . 51514 1 21 139 GLN . 51514 1 22 140 ASP . 51514 1 23 141 ILE . 51514 1 24 142 ALA . 51514 1 25 143 GLN . 51514 1 26 144 GLU . 51514 1 27 145 ILE . 51514 1 28 146 SER . 51514 1 29 147 GLU . 51514 1 30 148 ALA . 51514 1 31 149 PHE . 51514 1 32 150 SER . 51514 1 33 151 GLN . 51514 1 34 152 ARG . 51514 1 35 153 VAL . 51514 1 36 154 GLY . 51514 1 37 155 PHE . 51514 1 38 156 GLY . 51514 1 39 157 ASP . 51514 1 40 158 ASP . 51514 1 41 159 PHE . 51514 1 42 160 ASP . 51514 1 43 161 GLU . 51514 1 44 162 ASP . 51514 1 45 163 GLU . 51514 1 46 164 LEU . 51514 1 47 165 MET . 51514 1 48 166 ALA . 51514 1 49 167 GLU . 51514 1 50 168 LEU . 51514 1 51 169 GLU . 51514 1 52 170 GLU . 51514 1 53 171 LEU . 51514 1 54 172 GLU . 51514 1 55 173 GLN . 51514 1 56 174 GLU . 51514 1 57 175 GLU . 51514 1 58 176 LEU . 51514 1 59 177 ASN . 51514 1 60 178 LYS . 51514 1 61 179 LYS . 51514 1 62 180 MET . 51514 1 63 181 THR . 51514 1 64 182 ASN . 51514 1 65 183 ILE . 51514 1 66 184 ARG . 51514 1 67 185 LEU . 51514 1 68 186 PRO . 51514 1 69 187 ASN . 51514 1 70 188 VAL . 51514 1 71 189 PRO . 51514 1 72 190 SER . 51514 1 73 191 CYS . 51514 1 74 192 SER . 51514 1 75 193 LEU . 51514 1 76 194 PRO . 51514 1 77 195 ALA . 51514 1 78 196 GLN . 51514 1 79 197 PRO . 51514 1 80 198 ASN . 51514 1 81 199 ARG . 51514 1 82 200 LYS . 51514 1 83 201 PRO . 51514 1 84 202 GLY . 51514 1 85 203 MET . 51514 1 86 204 SER . 51514 1 87 205 SER . 51514 1 88 206 THR . 51514 1 89 207 ALA . 51514 1 90 208 ARG . 51514 1 91 209 ARG . 51514 1 92 210 SER . 51514 1 93 211 ARG . 51514 1 94 212 ALA . 51514 1 95 213 ALA . 51514 1 96 214 SER . 51514 1 97 215 SER . 51514 1 98 216 GLN . 51514 1 99 217 ARG . 51514 1 100 218 ALA . 51514 1 101 219 GLU . 51514 1 102 220 GLU . 51514 1 103 221 GLU . 51514 1 104 222 ASP . 51514 1 105 223 ASP . 51514 1 106 224 ASP . 51514 1 107 225 ILE . 51514 1 108 226 LYS . 51514 1 109 227 GLN . 51514 1 110 228 LEU . 51514 1 111 229 ALA . 51514 1 112 230 ALA . 51514 1 113 231 TRP . 51514 1 114 232 ALA . 51514 1 115 233 THR . 51514 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 51514 1 . SER 2 2 51514 1 . GLU 3 3 51514 1 . ASN 4 4 51514 1 . MET 5 5 51514 1 . ASP 6 6 51514 1 . LEU 7 7 51514 1 . ASN 8 8 51514 1 . LYS 9 9 51514 1 . ILE 10 10 51514 1 . ASP 11 11 51514 1 . ASP 12 12 51514 1 . LEU 13 13 51514 1 . MET 14 14 51514 1 . GLN 15 15 51514 1 . GLU 16 16 51514 1 . ILE 17 17 51514 1 . THR 18 18 51514 1 . GLU 19 19 51514 1 . GLN 20 20 51514 1 . GLN 21 21 51514 1 . ASP 22 22 51514 1 . ILE 23 23 51514 1 . ALA 24 24 51514 1 . GLN 25 25 51514 1 . GLU 26 26 51514 1 . ILE 27 27 51514 1 . SER 28 28 51514 1 . GLU 29 29 51514 1 . ALA 30 30 51514 1 . PHE 31 31 51514 1 . SER 32 32 51514 1 . GLN 33 33 51514 1 . ARG 34 34 51514 1 . VAL 35 35 51514 1 . GLY 36 36 51514 1 . PHE 37 37 51514 1 . GLY 38 38 51514 1 . ASP 39 39 51514 1 . ASP 40 40 51514 1 . PHE 41 41 51514 1 . ASP 42 42 51514 1 . GLU 43 43 51514 1 . ASP 44 44 51514 1 . GLU 45 45 51514 1 . LEU 46 46 51514 1 . MET 47 47 51514 1 . ALA 48 48 51514 1 . GLU 49 49 51514 1 . LEU 50 50 51514 1 . GLU 51 51 51514 1 . GLU 52 52 51514 1 . LEU 53 53 51514 1 . GLU 54 54 51514 1 . GLN 55 55 51514 1 . GLU 56 56 51514 1 . GLU 57 57 51514 1 . LEU 58 58 51514 1 . ASN 59 59 51514 1 . LYS 60 60 51514 1 . LYS 61 61 51514 1 . MET 62 62 51514 1 . THR 63 63 51514 1 . ASN 64 64 51514 1 . ILE 65 65 51514 1 . ARG 66 66 51514 1 . LEU 67 67 51514 1 . PRO 68 68 51514 1 . ASN 69 69 51514 1 . VAL 70 70 51514 1 . PRO 71 71 51514 1 . SER 72 72 51514 1 . CYS 73 73 51514 1 . SER 74 74 51514 1 . LEU 75 75 51514 1 . PRO 76 76 51514 1 . ALA 77 77 51514 1 . GLN 78 78 51514 1 . PRO 79 79 51514 1 . ASN 80 80 51514 1 . ARG 81 81 51514 1 . LYS 82 82 51514 1 . PRO 83 83 51514 1 . GLY 84 84 51514 1 . MET 85 85 51514 1 . SER 86 86 51514 1 . SER 87 87 51514 1 . THR 88 88 51514 1 . ALA 89 89 51514 1 . ARG 90 90 51514 1 . ARG 91 91 51514 1 . SER 92 92 51514 1 . ARG 93 93 51514 1 . ALA 94 94 51514 1 . ALA 95 95 51514 1 . SER 96 96 51514 1 . SER 97 97 51514 1 . GLN 98 98 51514 1 . ARG 99 99 51514 1 . ALA 100 100 51514 1 . GLU 101 101 51514 1 . GLU 102 102 51514 1 . GLU 103 103 51514 1 . ASP 104 104 51514 1 . ASP 105 105 51514 1 . ASP 106 106 51514 1 . ILE 107 107 51514 1 . LYS 108 108 51514 1 . GLN 109 109 51514 1 . LEU 110 110 51514 1 . ALA 111 111 51514 1 . ALA 112 112 51514 1 . TRP 113 113 51514 1 . ALA 114 114 51514 1 . THR 115 115 51514 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 51514 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 51514 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 51514 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pET11a . . . 51514 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51514 _Sample.ID 1 _Sample.Name 'Sample 1' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '93% H2O/7% 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 'Human CHMP4C' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 0.5 . . mM . . . . 51514 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 51514 1 3 EDTA 'natural abundance' . . . . . . 2 . . mM . . . . 51514 1 4 TCEP 'natural abundance' . . . . . . 1 . . mM . . . . 51514 1 5 D2O 'natural abundance' . . . . . . 7 . . % . . . . 51514 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 51514 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'Conditions 1' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0 . M 51514 1 pH 6.5 . pH 51514 1 pressure 1 . atm 51514 1 temperature 303 . K 51514 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51514 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 51514 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51514 _Software.ID 2 _Software.Type . _Software.Name CcpNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 51514 2 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 51514 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker 800' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _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 51514 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name 'Bruker 600' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 51514 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51514 1 2 '3D C(CO)NH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51514 1 3 '3D HN(CA)CO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51514 1 4 '3D HNCACB' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51514 1 5 '3D H(CCO)NH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51514 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 51514 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'Ref 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 na 'methyl carbons' . . . . ppm 0 internal direct 1 . . . . . 51514 1 H 1 water protons . . . . ppm 4.7 internal direct 1 . . . . . 51514 1 N 15 na nitrogen . . . . ppm 0 internal direct 1 . . . . . 51514 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 51514 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Shift 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' . . . 51514 1 2 '3D C(CO)NH' . . . 51514 1 3 '3D HN(CA)CO' . . . 51514 1 4 '3D HNCACB' . . . 51514 1 5 '3D H(CCO)NH' . . . 51514 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 51514 1 2 $software_2 . . 51514 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 2 2 SER HA H 1 4.309 0.000 . 1 . . . . . 120 SER HA . 51514 1 2 . 1 . 1 2 2 SER HB2 H 1 3.728 0.000 . 1 . . . . . 120 SER HB2 . 51514 1 3 . 1 . 1 2 2 SER HB3 H 1 3.728 0.000 . 1 . . . . . 120 SER HB3 . 51514 1 4 . 1 . 1 2 2 SER C C 13 174.453 0.000 . 1 . . . . . 120 SER C . 51514 1 5 . 1 . 1 2 2 SER CA C 13 58.581 0.000 . 1 . . . . . 120 SER CA . 51514 1 6 . 1 . 1 2 2 SER CB C 13 63.591 0.000 . 1 . . . . . 120 SER CB . 51514 1 7 . 1 . 1 3 3 GLU H H 1 8.719 0.000 . 1 . . . . . 121 GLU H . 51514 1 8 . 1 . 1 3 3 GLU HA H 1 4.109 0.000 . 1 . . . . . 121 GLU HA . 51514 1 9 . 1 . 1 3 3 GLU C C 13 176.137 0.000 . 1 . . . . . 121 GLU C . 51514 1 10 . 1 . 1 3 3 GLU CA C 13 57.061 0.000 . 1 . . . . . 121 GLU CA . 51514 1 11 . 1 . 1 3 3 GLU CB C 13 29.542 0.000 . 1 . . . . . 121 GLU CB . 51514 1 12 . 1 . 1 3 3 GLU CG C 13 35.668 0.000 . 1 . . . . . 121 GLU CG . 51514 1 13 . 1 . 1 3 3 GLU N N 15 123.351 0.000 . 1 . . . . . 121 GLU N . 51514 1 14 . 1 . 1 4 4 ASN H H 1 8.296 0.000 . 1 . . . . . 122 ASN H . 51514 1 15 . 1 . 1 4 4 ASN HA H 1 4.514 0.000 . 1 . . . . . 122 ASN HA . 51514 1 16 . 1 . 1 4 4 ASN C C 13 175.124 0.000 . 1 . . . . . 122 ASN C . 51514 1 17 . 1 . 1 4 4 ASN CA C 13 53.292 0.000 . 1 . . . . . 122 ASN CA . 51514 1 18 . 1 . 1 4 4 ASN CB C 13 38.563 0.000 . 1 . . . . . 122 ASN CB . 51514 1 19 . 1 . 1 4 4 ASN N N 15 119.714 0.000 . 1 . . . . . 122 ASN N . 51514 1 20 . 1 . 1 5 5 MET H H 1 8.182 0.000 . 1 . . . . . 123 MET H . 51514 1 21 . 1 . 1 5 5 MET HA H 1 4.266 0.000 . 1 . . . . . 123 MET HA . 51514 1 22 . 1 . 1 5 5 MET C C 13 175.803 0.000 . 1 . . . . . 123 MET C . 51514 1 23 . 1 . 1 5 5 MET CA C 13 55.593 0.000 . 1 . . . . . 123 MET CA . 51514 1 24 . 1 . 1 5 5 MET CB C 13 32.632 0.000 . 1 . . . . . 123 MET CB . 51514 1 25 . 1 . 1 5 5 MET N N 15 121.720 0.000 . 1 . . . . . 123 MET N . 51514 1 26 . 1 . 1 6 6 ASP H H 1 8.202 0.000 . 1 . . . . . 124 ASP H . 51514 1 27 . 1 . 1 6 6 ASP C C 13 176.322 0.000 . 1 . . . . . 124 ASP C . 51514 1 28 . 1 . 1 6 6 ASP CA C 13 54.287 0.000 . 1 . . . . . 124 ASP CA . 51514 1 29 . 1 . 1 6 6 ASP CB C 13 40.786 0.000 . 1 . . . . . 124 ASP CB . 51514 1 30 . 1 . 1 6 6 ASP N N 15 121.993 0.000 . 1 . . . . . 124 ASP N . 51514 1 31 . 1 . 1 7 7 LEU H H 1 8.007 0.000 . 1 . . . . . 125 LEU H . 51514 1 32 . 1 . 1 7 7 LEU HA H 1 4.080 0.000 . 1 . . . . . 125 LEU HA . 51514 1 33 . 1 . 1 7 7 LEU C C 13 177.254 0.000 . 1 . . . . . 125 LEU C . 51514 1 34 . 1 . 1 7 7 LEU CA C 13 55.503 0.000 . 1 . . . . . 125 LEU CA . 51514 1 35 . 1 . 1 7 7 LEU CB C 13 41.914 0.000 . 1 . . . . . 125 LEU CB . 51514 1 36 . 1 . 1 7 7 LEU CD1 C 13 24.644 0.000 . 1 . . . . . 125 LEU CD1 . 51514 1 37 . 1 . 1 7 7 LEU CD2 C 13 23.055 0.000 . 1 . . . . . 125 LEU CD2 . 51514 1 38 . 1 . 1 7 7 LEU N N 15 123.238 0.000 . 1 . . . . . 125 LEU N . 51514 1 39 . 1 . 1 8 8 ASN H H 1 8.250 0.000 . 1 . . . . . 126 ASN H . 51514 1 40 . 1 . 1 8 8 ASN HA H 1 4.479 0.000 . 1 . . . . . 126 ASN HA . 51514 1 41 . 1 . 1 8 8 ASN C C 13 174.831 0.000 . 1 . . . . . 126 ASN C . 51514 1 42 . 1 . 1 8 8 ASN CA C 13 53.436 0.000 . 1 . . . . . 126 ASN CA . 51514 1 43 . 1 . 1 8 8 ASN CB C 13 38.690 0.000 . 1 . . . . . 126 ASN CB . 51514 1 44 . 1 . 1 8 8 ASN N N 15 119.140 0.000 . 1 . . . . . 126 ASN N . 51514 1 45 . 1 . 1 9 9 LYS H H 1 7.909 0.000 . 1 . . . . . 127 LYS H . 51514 1 46 . 1 . 1 9 9 LYS HA H 1 4.160 0.000 . 1 . . . . . 127 LYS HA . 51514 1 47 . 1 . 1 9 9 LYS C C 13 176.282 0.000 . 1 . . . . . 127 LYS C . 51514 1 48 . 1 . 1 9 9 LYS CA C 13 56.193 0.000 . 1 . . . . . 127 LYS CA . 51514 1 49 . 1 . 1 9 9 LYS CB C 13 32.831 0.000 . 1 . . . . . 127 LYS CB . 51514 1 50 . 1 . 1 9 9 LYS CG C 13 24.216 0.000 . 1 . . . . . 127 LYS CG . 51514 1 51 . 1 . 1 9 9 LYS CD C 13 28.552 0.000 . 1 . . . . . 127 LYS CD . 51514 1 52 . 1 . 1 9 9 LYS N N 15 122.270 0.000 . 1 . . . . . 127 LYS N . 51514 1 53 . 1 . 1 10 10 ILE H H 1 8.028 0.000 . 1 . . . . . 128 ILE H . 51514 1 54 . 1 . 1 10 10 ILE HA H 1 3.991 0.000 . 1 . . . . . 128 ILE HA . 51514 1 55 . 1 . 1 10 10 ILE HD11 H 1 0.725 0.000 . 1 . . . . . 128 ILE HD11 . 51514 1 56 . 1 . 1 10 10 ILE HD12 H 1 0.725 0.000 . 1 . . . . . 128 ILE HD12 . 51514 1 57 . 1 . 1 10 10 ILE HD13 H 1 0.725 0.000 . 1 . . . . . 128 ILE HD13 . 51514 1 58 . 1 . 1 10 10 ILE C C 13 175.909 0.000 . 1 . . . . . 128 ILE C . 51514 1 59 . 1 . 1 10 10 ILE CA C 13 61.182 0.000 . 1 . . . . . 128 ILE CA . 51514 1 60 . 1 . 1 10 10 ILE CB C 13 38.651 0.000 . 1 . . . . . 128 ILE CB . 51514 1 61 . 1 . 1 10 10 ILE CG1 C 13 27.008 0.000 . 1 . . . . . 128 ILE CG1 . 51514 1 62 . 1 . 1 10 10 ILE CG2 C 13 17.291 0.000 . 1 . . . . . 128 ILE CG2 . 51514 1 63 . 1 . 1 10 10 ILE CD1 C 13 12.622 0.000 . 1 . . . . . 128 ILE CD1 . 51514 1 64 . 1 . 1 10 10 ILE N N 15 123.137 0.000 . 1 . . . . . 128 ILE N . 51514 1 65 . 1 . 1 11 11 ASP H H 1 8.211 0.000 . 1 . . . . . 129 ASP H . 51514 1 66 . 1 . 1 11 11 ASP C C 13 175.975 0.000 . 1 . . . . . 129 ASP C . 51514 1 67 . 1 . 1 11 11 ASP CA C 13 54.410 0.000 . 1 . . . . . 129 ASP CA . 51514 1 68 . 1 . 1 11 11 ASP CB C 13 41.087 0.000 . 1 . . . . . 129 ASP CB . 51514 1 69 . 1 . 1 11 11 ASP N N 15 124.808 0.000 . 1 . . . . . 129 ASP N . 51514 1 70 . 1 . 1 12 12 ASP H H 1 8.087 0.000 . 1 . . . . . 130 ASP H . 51514 1 71 . 1 . 1 12 12 ASP C C 13 176.348 0.000 . 1 . . . . . 130 ASP C . 51514 1 72 . 1 . 1 12 12 ASP CA C 13 54.536 0.000 . 1 . . . . . 130 ASP CA . 51514 1 73 . 1 . 1 12 12 ASP CB C 13 40.887 0.000 . 1 . . . . . 130 ASP CB . 51514 1 74 . 1 . 1 12 12 ASP N N 15 121.563 0.000 . 1 . . . . . 130 ASP N . 51514 1 75 . 1 . 1 13 13 LEU H H 1 8.025 0.000 . 1 . . . . . 131 LEU H . 51514 1 76 . 1 . 1 13 13 LEU HA H 1 4.116 0.000 . 1 . . . . . 131 LEU HA . 51514 1 77 . 1 . 1 13 13 LEU HD11 H 1 0.717 0.000 . 1 . . . . . 131 LEU HD11 . 51514 1 78 . 1 . 1 13 13 LEU HD12 H 1 0.717 0.000 . 1 . . . . . 131 LEU HD12 . 51514 1 79 . 1 . 1 13 13 LEU HD13 H 1 0.717 0.000 . 1 . . . . . 131 LEU HD13 . 51514 1 80 . 1 . 1 13 13 LEU HD21 H 1 0.717 0.000 . 1 . . . . . 131 LEU HD21 . 51514 1 81 . 1 . 1 13 13 LEU HD22 H 1 0.717 0.000 . 1 . . . . . 131 LEU HD22 . 51514 1 82 . 1 . 1 13 13 LEU HD23 H 1 0.717 0.000 . 1 . . . . . 131 LEU HD23 . 51514 1 83 . 1 . 1 13 13 LEU C C 13 177.587 0.000 . 1 . . . . . 131 LEU C . 51514 1 84 . 1 . 1 13 13 LEU CA C 13 55.558 0.000 . 1 . . . . . 131 LEU CA . 51514 1 85 . 1 . 1 13 13 LEU CB C 13 41.962 0.000 . 1 . . . . . 131 LEU CB . 51514 1 86 . 1 . 1 13 13 LEU CD1 C 13 23.180 0.000 . 1 . . . . . 131 LEU CD1 . 51514 1 87 . 1 . 1 13 13 LEU CD2 C 13 24.581 0.000 . 1 . . . . . 131 LEU CD2 . 51514 1 88 . 1 . 1 13 13 LEU N N 15 122.498 0.000 . 1 . . . . . 131 LEU N . 51514 1 89 . 1 . 1 14 14 MET H H 1 8.138 0.000 . 1 . . . . . 132 MET H . 51514 1 90 . 1 . 1 14 14 MET HA H 1 4.257 0.000 . 1 . . . . . 132 MET HA . 51514 1 91 . 1 . 1 14 14 MET C C 13 176.215 0.000 . 1 . . . . . 132 MET C . 51514 1 92 . 1 . 1 14 14 MET CA C 13 55.569 0.000 . 1 . . . . . 132 MET CA . 51514 1 93 . 1 . 1 14 14 MET CB C 13 32.199 0.000 . 1 . . . . . 132 MET CB . 51514 1 94 . 1 . 1 14 14 MET N N 15 120.991 0.000 . 1 . . . . . 132 MET N . 51514 1 95 . 1 . 1 15 15 GLN H H 1 8.090 0.000 . 1 . . . . . 133 GLN H . 51514 1 96 . 1 . 1 15 15 GLN HA H 1 4.136 0.000 . 1 . . . . . 133 GLN HA . 51514 1 97 . 1 . 1 15 15 GLN C C 13 175.709 0.000 . 1 . . . . . 133 GLN C . 51514 1 98 . 1 . 1 15 15 GLN CA C 13 55.806 0.000 . 1 . . . . . 133 GLN CA . 51514 1 99 . 1 . 1 15 15 GLN CB C 13 29.436 0.000 . 1 . . . . . 133 GLN CB . 51514 1 100 . 1 . 1 15 15 GLN CG C 13 33.478 0.000 . 1 . . . . . 133 GLN CG . 51514 1 101 . 1 . 1 15 15 GLN N N 15 121.885 0.000 . 1 . . . . . 133 GLN N . 51514 1 102 . 1 . 1 16 16 GLU H H 1 8.282 0.000 . 1 . . . . . 134 GLU H . 51514 1 103 . 1 . 1 16 16 GLU HA H 1 4.107 0.000 . 1 . . . . . 134 GLU HA . 51514 1 104 . 1 . 1 16 16 GLU C C 13 176.348 0.000 . 1 . . . . . 134 GLU C . 51514 1 105 . 1 . 1 16 16 GLU CA C 13 56.513 0.000 . 1 . . . . . 134 GLU CA . 51514 1 106 . 1 . 1 16 16 GLU CB C 13 30.003 0.000 . 1 . . . . . 134 GLU CB . 51514 1 107 . 1 . 1 16 16 GLU CG C 13 35.827 0.000 . 1 . . . . . 134 GLU CG . 51514 1 108 . 1 . 1 16 16 GLU N N 15 123.030 0.000 . 1 . . . . . 134 GLU N . 51514 1 109 . 1 . 1 17 17 ILE H H 1 8.156 0.000 . 1 . . . . . 135 ILE H . 51514 1 110 . 1 . 1 17 17 ILE HA H 1 4.061 0.000 . 1 . . . . . 135 ILE HA . 51514 1 111 . 1 . 1 17 17 ILE HD11 H 1 0.725 0.000 . 1 . . . . . 135 ILE HD11 . 51514 1 112 . 1 . 1 17 17 ILE HD12 H 1 0.725 0.000 . 1 . . . . . 135 ILE HD12 . 51514 1 113 . 1 . 1 17 17 ILE HD13 H 1 0.725 0.000 . 1 . . . . . 135 ILE HD13 . 51514 1 114 . 1 . 1 17 17 ILE C C 13 176.482 0.000 . 1 . . . . . 135 ILE C . 51514 1 115 . 1 . 1 17 17 ILE CA C 13 61.156 0.000 . 1 . . . . . 135 ILE CA . 51514 1 116 . 1 . 1 17 17 ILE CB C 13 38.451 0.000 . 1 . . . . . 135 ILE CB . 51514 1 117 . 1 . 1 17 17 ILE CG1 C 13 26.906 0.000 . 1 . . . . . 135 ILE CG1 . 51514 1 118 . 1 . 1 17 17 ILE CG2 C 13 17.284 0.000 . 1 . . . . . 135 ILE CG2 . 51514 1 119 . 1 . 1 17 17 ILE CD1 C 13 12.426 0.000 . 1 . . . . . 135 ILE CD1 . 51514 1 120 . 1 . 1 17 17 ILE N N 15 123.355 0.000 . 1 . . . . . 135 ILE N . 51514 1 121 . 1 . 1 18 18 THR H H 1 8.122 0.000 . 1 . . . . . 136 THR H . 51514 1 122 . 1 . 1 18 18 THR HG21 H 1 1.015 0.000 . 1 . . . . . 136 THR HG21 . 51514 1 123 . 1 . 1 18 18 THR HG22 H 1 1.015 0.000 . 1 . . . . . 136 THR HG22 . 51514 1 124 . 1 . 1 18 18 THR HG23 H 1 1.015 0.000 . 1 . . . . . 136 THR HG23 . 51514 1 125 . 1 . 1 18 18 THR C C 13 174.445 0.000 . 1 . . . . . 136 THR C . 51514 1 126 . 1 . 1 18 18 THR CA C 13 61.902 0.000 . 1 . . . . . 136 THR CA . 51514 1 127 . 1 . 1 18 18 THR CB C 13 69.801 0.000 . 1 . . . . . 136 THR CB . 51514 1 128 . 1 . 1 18 18 THR CG2 C 13 21.173 0.000 . 1 . . . . . 136 THR CG2 . 51514 1 129 . 1 . 1 18 18 THR N N 15 119.562 0.000 . 1 . . . . . 136 THR N . 51514 1 130 . 1 . 1 19 19 GLU H H 1 8.269 0.000 . 1 . . . . . 137 GLU H . 51514 1 131 . 1 . 1 19 19 GLU HA H 1 4.115 0.000 . 1 . . . . . 137 GLU HA . 51514 1 132 . 1 . 1 19 19 GLU C C 13 176.223 0.000 . 1 . . . . . 137 GLU C . 51514 1 133 . 1 . 1 19 19 GLU CA C 13 56.508 0.000 . 1 . . . . . 137 GLU CA . 51514 1 134 . 1 . 1 19 19 GLU CB C 13 30.086 0.000 . 1 . . . . . 137 GLU CB . 51514 1 135 . 1 . 1 19 19 GLU CG C 13 35.777 0.000 . 1 . . . . . 137 GLU CG . 51514 1 136 . 1 . 1 19 19 GLU N N 15 124.191 0.000 . 1 . . . . . 137 GLU N . 51514 1 137 . 1 . 1 20 20 GLN H H 1 8.294 0.000 . 1 . . . . . 138 GLN H . 51514 1 138 . 1 . 1 20 20 GLN HA H 1 4.131 0.000 . 1 . . . . . 138 GLN HA . 51514 1 139 . 1 . 1 20 20 GLN C C 13 175.843 0.000 . 1 . . . . . 138 GLN C . 51514 1 140 . 1 . 1 20 20 GLN CA C 13 55.863 0.000 . 1 . . . . . 138 GLN CA . 51514 1 141 . 1 . 1 20 20 GLN CB C 13 29.216 0.000 . 1 . . . . . 138 GLN CB . 51514 1 142 . 1 . 1 20 20 GLN CG C 13 33.343 0.000 . 1 . . . . . 138 GLN CG . 51514 1 143 . 1 . 1 20 20 GLN N N 15 122.494 0.000 . 1 . . . . . 138 GLN N . 51514 1 144 . 1 . 1 21 21 GLN H H 1 8.319 0.000 . 1 . . . . . 139 GLN H . 51514 1 145 . 1 . 1 21 21 GLN HA H 1 4.160 0.000 . 1 . . . . . 139 GLN HA . 51514 1 146 . 1 . 1 21 21 GLN C C 13 175.523 0.000 . 1 . . . . . 139 GLN C . 51514 1 147 . 1 . 1 21 21 GLN CA C 13 55.777 0.000 . 1 . . . . . 139 GLN CA . 51514 1 148 . 1 . 1 21 21 GLN CB C 13 29.464 0.000 . 1 . . . . . 139 GLN CB . 51514 1 149 . 1 . 1 21 21 GLN N N 15 122.667 0.000 . 1 . . . . . 139 GLN N . 51514 1 150 . 1 . 1 22 22 ASP H H 1 8.334 0.000 . 1 . . . . . 140 ASP H . 51514 1 151 . 1 . 1 22 22 ASP C C 13 176.109 0.000 . 1 . . . . . 140 ASP C . 51514 1 152 . 1 . 1 22 22 ASP CA C 13 54.268 0.000 . 1 . . . . . 140 ASP CA . 51514 1 153 . 1 . 1 22 22 ASP CB C 13 40.821 0.000 . 1 . . . . . 140 ASP CB . 51514 1 154 . 1 . 1 22 22 ASP N N 15 122.771 0.000 . 1 . . . . . 140 ASP N . 51514 1 155 . 1 . 1 23 23 ILE H H 1 7.927 0.000 . 1 . . . . . 141 ILE H . 51514 1 156 . 1 . 1 23 23 ILE HA H 1 3.974 0.000 . 1 . . . . . 141 ILE HA . 51514 1 157 . 1 . 1 23 23 ILE HD11 H 1 0.725 0.000 . 1 . . . . . 141 ILE HD11 . 51514 1 158 . 1 . 1 23 23 ILE HD12 H 1 0.725 0.000 . 1 . . . . . 141 ILE HD12 . 51514 1 159 . 1 . 1 23 23 ILE HD13 H 1 0.725 0.000 . 1 . . . . . 141 ILE HD13 . 51514 1 160 . 1 . 1 23 23 ILE C C 13 175.989 0.000 . 1 . . . . . 141 ILE C . 51514 1 161 . 1 . 1 23 23 ILE CA C 13 61.147 0.000 . 1 . . . . . 141 ILE CA . 51514 1 162 . 1 . 1 23 23 ILE CB C 13 38.655 0.000 . 1 . . . . . 141 ILE CB . 51514 1 163 . 1 . 1 23 23 ILE CG1 C 13 26.771 0.000 . 1 . . . . . 141 ILE CG1 . 51514 1 164 . 1 . 1 23 23 ILE CG2 C 13 17.157 0.000 . 1 . . . . . 141 ILE CG2 . 51514 1 165 . 1 . 1 23 23 ILE CD1 C 13 12.430 0.000 . 1 . . . . . 141 ILE CD1 . 51514 1 166 . 1 . 1 23 23 ILE N N 15 121.945 0.000 . 1 . . . . . 141 ILE N . 51514 1 167 . 1 . 1 24 24 ALA H H 1 8.205 0.000 . 1 . . . . . 142 ALA H . 51514 1 168 . 1 . 1 24 24 ALA HA H 1 4.107 0.000 . 1 . . . . . 142 ALA HA . 51514 1 169 . 1 . 1 24 24 ALA HB1 H 1 1.215 0.000 . 1 . . . . . 142 ALA HB1 . 51514 1 170 . 1 . 1 24 24 ALA HB2 H 1 1.215 0.000 . 1 . . . . . 142 ALA HB2 . 51514 1 171 . 1 . 1 24 24 ALA HB3 H 1 1.215 0.000 . 1 . . . . . 142 ALA HB3 . 51514 1 172 . 1 . 1 24 24 ALA C C 13 177.733 0.000 . 1 . . . . . 142 ALA C . 51514 1 173 . 1 . 1 24 24 ALA CA C 13 52.616 0.000 . 1 . . . . . 142 ALA CA . 51514 1 174 . 1 . 1 24 24 ALA CB C 13 18.783 0.000 . 1 . . . . . 142 ALA CB . 51514 1 175 . 1 . 1 24 24 ALA N N 15 128.531 0.000 . 1 . . . . . 142 ALA N . 51514 1 176 . 1 . 1 25 25 GLN H H 1 8.147 0.000 . 1 . . . . . 143 GLN H . 51514 1 177 . 1 . 1 25 25 GLN HA H 1 4.116 0.000 . 1 . . . . . 143 GLN HA . 51514 1 178 . 1 . 1 25 25 GLN C C 13 175.976 0.000 . 1 . . . . . 143 GLN C . 51514 1 179 . 1 . 1 25 25 GLN CA C 13 55.922 0.000 . 1 . . . . . 143 GLN CA . 51514 1 180 . 1 . 1 25 25 GLN CB C 13 29.436 0.000 . 1 . . . . . 143 GLN CB . 51514 1 181 . 1 . 1 25 25 GLN CG C 13 33.465 0.000 . 1 . . . . . 143 GLN CG . 51514 1 182 . 1 . 1 25 25 GLN N N 15 120.628 0.000 . 1 . . . . . 143 GLN N . 51514 1 183 . 1 . 1 26 26 GLU H H 1 8.301 0.000 . 1 . . . . . 144 GLU H . 51514 1 184 . 1 . 1 26 26 GLU HA H 1 4.107 0.000 . 1 . . . . . 144 GLU HA . 51514 1 185 . 1 . 1 26 26 GLU C C 13 176.573 0.000 . 1 . . . . . 144 GLU C . 51514 1 186 . 1 . 1 26 26 GLU CA C 13 56.546 0.000 . 1 . . . . . 144 GLU CA . 51514 1 187 . 1 . 1 26 26 GLU CB C 13 29.236 0.000 . 1 . . . . . 144 GLU CB . 51514 1 188 . 1 . 1 26 26 GLU CG C 13 33.465 0.000 . 1 . . . . . 144 GLU CG . 51514 1 189 . 1 . 1 26 26 GLU N N 15 123.028 0.000 . 1 . . . . . 144 GLU N . 51514 1 190 . 1 . 1 27 27 ILE H H 1 8.111 0.000 . 1 . . . . . 145 ILE H . 51514 1 191 . 1 . 1 27 27 ILE HA H 1 4.000 0.000 . 1 . . . . . 145 ILE HA . 51514 1 192 . 1 . 1 27 27 ILE HD11 H 1 0.717 0.000 . 1 . . . . . 145 ILE HD11 . 51514 1 193 . 1 . 1 27 27 ILE HD12 H 1 0.717 0.000 . 1 . . . . . 145 ILE HD12 . 51514 1 194 . 1 . 1 27 27 ILE HD13 H 1 0.717 0.000 . 1 . . . . . 145 ILE HD13 . 51514 1 195 . 1 . 1 27 27 ILE C C 13 176.309 0.000 . 1 . . . . . 145 ILE C . 51514 1 196 . 1 . 1 27 27 ILE CA C 13 61.258 0.000 . 1 . . . . . 145 ILE CA . 51514 1 197 . 1 . 1 27 27 ILE CB C 13 38.424 0.000 . 1 . . . . . 145 ILE CB . 51514 1 198 . 1 . 1 27 27 ILE CG1 C 13 26.893 0.000 . 1 . . . . . 145 ILE CG1 . 51514 1 199 . 1 . 1 27 27 ILE CG2 C 13 17.157 0.000 . 1 . . . . . 145 ILE CG2 . 51514 1 200 . 1 . 1 27 27 ILE CD1 C 13 12.458 0.000 . 1 . . . . . 145 ILE CD1 . 51514 1 201 . 1 . 1 27 27 ILE N N 15 122.999 0.000 . 1 . . . . . 145 ILE N . 51514 1 202 . 1 . 1 28 28 SER H H 1 8.193 0.000 . 1 . . . . . 146 SER H . 51514 1 203 . 1 . 1 28 28 SER HA H 1 4.257 0.000 . 1 . . . . . 146 SER HA . 51514 1 204 . 1 . 1 28 28 SER HB2 H 1 3.697 0.000 . 1 . . . . . 146 SER HB2 . 51514 1 205 . 1 . 1 28 28 SER HB3 H 1 3.697 0.000 . 1 . . . . . 146 SER HB3 . 51514 1 206 . 1 . 1 28 28 SER C C 13 174.884 0.000 . 1 . . . . . 146 SER C . 51514 1 207 . 1 . 1 28 28 SER CA C 13 58.491 0.000 . 1 . . . . . 146 SER CA . 51514 1 208 . 1 . 1 28 28 SER CB C 13 63.791 0.000 . 1 . . . . . 146 SER CB . 51514 1 209 . 1 . 1 28 28 SER N N 15 120.426 0.000 . 1 . . . . . 146 SER N . 51514 1 210 . 1 . 1 29 29 GLU H H 1 8.334 0.000 . 1 . . . . . 147 GLU H . 51514 1 211 . 1 . 1 29 29 GLU HA H 1 4.071 0.000 . 1 . . . . . 147 GLU HA . 51514 1 212 . 1 . 1 29 29 GLU C C 13 176.362 0.000 . 1 . . . . . 147 GLU C . 51514 1 213 . 1 . 1 29 29 GLU CA C 13 56.938 0.000 . 1 . . . . . 147 GLU CA . 51514 1 214 . 1 . 1 29 29 GLU CB C 13 29.835 0.000 . 1 . . . . . 147 GLU CB . 51514 1 215 . 1 . 1 29 29 GLU CG C 13 35.899 0.000 . 1 . . . . . 147 GLU CG . 51514 1 216 . 1 . 1 29 29 GLU N N 15 124.061 0.000 . 1 . . . . . 147 GLU N . 51514 1 217 . 1 . 1 30 30 ALA H H 1 8.045 0.000 . 1 . . . . . 148 ALA H . 51514 1 218 . 1 . 1 30 30 ALA HA H 1 4.038 0.000 . 1 . . . . . 148 ALA HA . 51514 1 219 . 1 . 1 30 30 ALA HB1 H 1 1.108 0.000 . 1 . . . . . 148 ALA HB1 . 51514 1 220 . 1 . 1 30 30 ALA HB2 H 1 1.108 0.000 . 1 . . . . . 148 ALA HB2 . 51514 1 221 . 1 . 1 30 30 ALA HB3 H 1 1.108 0.000 . 1 . . . . . 148 ALA HB3 . 51514 1 222 . 1 . 1 30 30 ALA C C 13 177.786 0.000 . 1 . . . . . 148 ALA C . 51514 1 223 . 1 . 1 30 30 ALA CA C 13 52.817 0.000 . 1 . . . . . 148 ALA CA . 51514 1 224 . 1 . 1 30 30 ALA CB C 13 18.783 0.000 . 1 . . . . . 148 ALA CB . 51514 1 225 . 1 . 1 30 30 ALA N N 15 124.867 0.000 . 1 . . . . . 148 ALA N . 51514 1 226 . 1 . 1 31 31 PHE H H 1 7.964 0.000 . 1 . . . . . 149 PHE H . 51514 1 227 . 1 . 1 31 31 PHE HB2 H 1 2.885 0.000 . 1 . . . . . 149 PHE HB2 . 51514 1 228 . 1 . 1 31 31 PHE HB3 H 1 2.995 0.000 . 1 . . . . . 149 PHE HB3 . 51514 1 229 . 1 . 1 31 31 PHE C C 13 176.002 0.000 . 1 . . . . . 149 PHE C . 51514 1 230 . 1 . 1 31 31 PHE CA C 13 57.977 0.000 . 1 . . . . . 149 PHE CA . 51514 1 231 . 1 . 1 31 31 PHE CB C 13 39.223 0.000 . 1 . . . . . 149 PHE CB . 51514 1 232 . 1 . 1 31 31 PHE N N 15 119.591 0.000 . 1 . . . . . 149 PHE N . 51514 1 233 . 1 . 1 32 32 SER H H 1 7.958 0.000 . 1 . . . . . 150 SER H . 51514 1 234 . 1 . 1 32 32 SER HA H 1 4.160 0.000 . 1 . . . . . 150 SER HA . 51514 1 235 . 1 . 1 32 32 SER HB2 H 1 3.651 0.000 . 1 . . . . . 150 SER HB2 . 51514 1 236 . 1 . 1 32 32 SER HB3 H 1 3.651 0.000 . 1 . . . . . 150 SER HB3 . 51514 1 237 . 1 . 1 32 32 SER C C 13 174.245 0.000 . 1 . . . . . 150 SER C . 51514 1 238 . 1 . 1 32 32 SER CA C 13 58.409 0.000 . 1 . . . . . 150 SER CA . 51514 1 239 . 1 . 1 32 32 SER CB C 13 63.708 0.000 . 1 . . . . . 150 SER CB . 51514 1 240 . 1 . 1 32 32 SER N N 15 117.435 0.000 . 1 . . . . . 150 SER N . 51514 1 241 . 1 . 1 33 33 GLN H H 1 8.075 0.000 . 1 . . . . . 151 GLN H . 51514 1 242 . 1 . 1 33 33 GLN HA H 1 4.115 0.000 . 1 . . . . . 151 GLN HA . 51514 1 243 . 1 . 1 33 33 GLN C C 13 175.648 0.000 . 1 . . . . . 151 GLN C . 51514 1 244 . 1 . 1 33 33 GLN CA C 13 55.789 0.000 . 1 . . . . . 151 GLN CA . 51514 1 245 . 1 . 1 33 33 GLN CB C 13 29.205 0.000 . 1 . . . . . 151 GLN CB . 51514 1 246 . 1 . 1 33 33 GLN CG C 13 35.746 0.000 . 1 . . . . . 151 GLN CG . 51514 1 247 . 1 . 1 33 33 GLN N N 15 122.410 0.000 . 1 . . . . . 151 GLN N . 51514 1 248 . 1 . 1 34 34 ARG H H 1 8.111 0.000 . 1 . . . . . 152 ARG H . 51514 1 249 . 1 . 1 34 34 ARG HA H 1 4.162 0.000 . 1 . . . . . 152 ARG HA . 51514 1 250 . 1 . 1 34 34 ARG HD2 H 1 2.911 0.000 . 1 . . . . . 152 ARG HD2 . 51514 1 251 . 1 . 1 34 34 ARG HD3 H 1 2.911 0.000 . 1 . . . . . 152 ARG HD3 . 51514 1 252 . 1 . 1 34 34 ARG C C 13 176.029 0.000 . 1 . . . . . 152 ARG C . 51514 1 253 . 1 . 1 34 34 ARG CA C 13 55.980 0.000 . 1 . . . . . 152 ARG CA . 51514 1 254 . 1 . 1 34 34 ARG CB C 13 30.470 0.000 . 1 . . . . . 152 ARG CB . 51514 1 255 . 1 . 1 34 34 ARG CG C 13 26.650 0.000 . 1 . . . . . 152 ARG CG . 51514 1 256 . 1 . 1 34 34 ARG CD C 13 43.201 0.000 . 1 . . . . . 152 ARG CD . 51514 1 257 . 1 . 1 34 34 ARG N N 15 122.968 0.000 . 1 . . . . . 152 ARG N . 51514 1 258 . 1 . 1 35 35 VAL H H 1 8.073 0.000 . 1 . . . . . 153 VAL H . 51514 1 259 . 1 . 1 35 35 VAL HA H 1 3.903 0.000 . 1 . . . . . 153 VAL HA . 51514 1 260 . 1 . 1 35 35 VAL HB H 1 1.840 0.000 . 1 . . . . . 153 VAL HB . 51514 1 261 . 1 . 1 35 35 VAL HG11 H 1 0.725 0.000 . 1 . . . . . 153 VAL HG11 . 51514 1 262 . 1 . 1 35 35 VAL HG12 H 1 0.725 0.000 . 1 . . . . . 153 VAL HG12 . 51514 1 263 . 1 . 1 35 35 VAL HG13 H 1 0.725 0.000 . 1 . . . . . 153 VAL HG13 . 51514 1 264 . 1 . 1 35 35 VAL HG21 H 1 0.725 0.000 . 1 . . . . . 153 VAL HG21 . 51514 1 265 . 1 . 1 35 35 VAL HG22 H 1 0.725 0.000 . 1 . . . . . 153 VAL HG22 . 51514 1 266 . 1 . 1 35 35 VAL HG23 H 1 0.725 0.000 . 1 . . . . . 153 VAL HG23 . 51514 1 267 . 1 . 1 35 35 VAL C C 13 176.393 0.000 . 1 . . . . . 153 VAL C . 51514 1 268 . 1 . 1 35 35 VAL CA C 13 62.555 0.000 . 1 . . . . . 153 VAL CA . 51514 1 269 . 1 . 1 35 35 VAL CB C 13 32.554 0.000 . 1 . . . . . 153 VAL CB . 51514 1 270 . 1 . 1 35 35 VAL CG1 C 13 20.443 0.000 . 1 . . . . . 153 VAL CG1 . 51514 1 271 . 1 . 1 35 35 VAL N N 15 122.530 0.000 . 1 . . . . . 153 VAL N . 51514 1 272 . 1 . 1 36 36 GLY H H 1 8.297 0.000 . 1 . . . . . 154 GLY H . 51514 1 273 . 1 . 1 36 36 GLY HA2 H 1 3.696 0.000 . 1 . . . . . 154 GLY HA2 . 51514 1 274 . 1 . 1 36 36 GLY HA3 H 1 3.656 0.000 . 1 . . . . . 154 GLY HA3 . 51514 1 275 . 1 . 1 36 36 GLY C C 13 173.576 0.000 . 1 . . . . . 154 GLY C . 51514 1 276 . 1 . 1 36 36 GLY CA C 13 44.900 0.000 . 1 . . . . . 154 GLY CA . 51514 1 277 . 1 . 1 36 36 GLY N N 15 113.243 0.000 . 1 . . . . . 154 GLY N . 51514 1 278 . 1 . 1 37 37 PHE H H 1 7.995 0.000 . 1 . . . . . 155 PHE H . 51514 1 279 . 1 . 1 37 37 PHE HB2 H 1 2.794 0.000 . 1 . . . . . 155 PHE HB2 . 51514 1 280 . 1 . 1 37 37 PHE HB3 H 1 2.986 0.000 . 1 . . . . . 155 PHE HB3 . 51514 1 281 . 1 . 1 37 37 PHE C C 13 176.109 0.000 . 1 . . . . . 155 PHE C . 51514 1 282 . 1 . 1 37 37 PHE CA C 13 57.732 0.000 . 1 . . . . . 155 PHE CA . 51514 1 283 . 1 . 1 37 37 PHE CB C 13 39.689 0.000 . 1 . . . . . 155 PHE CB . 51514 1 284 . 1 . 1 37 37 PHE N N 15 120.415 0.000 . 1 . . . . . 155 PHE N . 51514 1 285 . 1 . 1 38 38 GLY H H 1 8.290 0.000 . 1 . . . . . 156 GLY H . 51514 1 286 . 1 . 1 38 38 GLY HA2 H 1 3.681 0.000 . 1 . . . . . 156 GLY HA2 . 51514 1 287 . 1 . 1 38 38 GLY HA3 H 1 3.803 0.000 . 1 . . . . . 156 GLY HA3 . 51514 1 288 . 1 . 1 38 38 GLY C C 13 173.766 0.000 . 1 . . . . . 156 GLY C . 51514 1 289 . 1 . 1 38 38 GLY CA C 13 45.110 0.000 . 1 . . . . . 156 GLY CA . 51514 1 290 . 1 . 1 38 38 GLY N N 15 111.373 0.000 . 1 . . . . . 156 GLY N . 51514 1 291 . 1 . 1 39 39 ASP H H 1 8.079 0.000 . 1 . . . . . 157 ASP H . 51514 1 292 . 1 . 1 39 39 ASP HB2 H 1 2.371 0.000 . 1 . . . . . 157 ASP HB2 . 51514 1 293 . 1 . 1 39 39 ASP HB3 H 1 2.451 0.000 . 1 . . . . . 157 ASP HB3 . 51514 1 294 . 1 . 1 39 39 ASP C C 13 175.786 0.000 . 1 . . . . . 157 ASP C . 51514 1 295 . 1 . 1 39 39 ASP CA C 13 54.395 0.000 . 1 . . . . . 157 ASP CA . 51514 1 296 . 1 . 1 39 39 ASP CB C 13 41.031 0.000 . 1 . . . . . 157 ASP CB . 51514 1 297 . 1 . 1 39 39 ASP N N 15 121.076 0.000 . 1 . . . . . 157 ASP N . 51514 1 298 . 1 . 1 40 40 ASP H H 1 8.153 0.000 . 1 . . . . . 158 ASP H . 51514 1 299 . 1 . 1 40 40 ASP HA H 1 4.395 0.000 . 1 . . . . . 158 ASP HA . 51514 1 300 . 1 . 1 40 40 ASP HB2 H 1 2.348 0.000 . 1 . . . . . 158 ASP HB2 . 51514 1 301 . 1 . 1 40 40 ASP HB3 H 1 2.441 0.000 . 1 . . . . . 158 ASP HB3 . 51514 1 302 . 1 . 1 40 40 ASP C C 13 175.536 0.000 . 1 . . . . . 158 ASP C . 51514 1 303 . 1 . 1 40 40 ASP CA C 13 54.154 0.000 . 1 . . . . . 158 ASP CA . 51514 1 304 . 1 . 1 40 40 ASP CB C 13 40.798 0.000 . 1 . . . . . 158 ASP CB . 51514 1 305 . 1 . 1 40 40 ASP N N 15 120.180 0.000 . 1 . . . . . 158 ASP N . 51514 1 306 . 1 . 1 41 41 PHE H H 1 7.878 0.000 . 1 . . . . . 159 PHE H . 51514 1 307 . 1 . 1 41 41 PHE HB2 H 1 2.817 0.000 . 1 . . . . . 159 PHE HB2 . 51514 1 308 . 1 . 1 41 41 PHE HB3 H 1 2.951 0.000 . 1 . . . . . 159 PHE HB3 . 51514 1 309 . 1 . 1 41 41 PHE C C 13 175.084 0.000 . 1 . . . . . 159 PHE C . 51514 1 310 . 1 . 1 41 41 PHE CA C 13 57.463 0.000 . 1 . . . . . 159 PHE CA . 51514 1 311 . 1 . 1 41 41 PHE CB C 13 39.742 0.000 . 1 . . . . . 159 PHE CB . 51514 1 312 . 1 . 1 41 41 PHE N N 15 120.703 0.000 . 1 . . . . . 159 PHE N . 51514 1 313 . 1 . 1 42 42 ASP H H 1 8.171 0.000 . 1 . . . . . 160 ASP H . 51514 1 314 . 1 . 1 42 42 ASP HA H 1 4.434 0.000 . 1 . . . . . 160 ASP HA . 51514 1 315 . 1 . 1 42 42 ASP HB2 H 1 2.411 0.000 . 1 . . . . . 160 ASP HB2 . 51514 1 316 . 1 . 1 42 42 ASP HB3 H 1 2.538 0.000 . 1 . . . . . 160 ASP HB3 . 51514 1 317 . 1 . 1 42 42 ASP C C 13 176.029 0.000 . 1 . . . . . 160 ASP C . 51514 1 318 . 1 . 1 42 42 ASP CA C 13 53.870 0.000 . 1 . . . . . 160 ASP CA . 51514 1 319 . 1 . 1 42 42 ASP CB C 13 41.154 0.000 . 1 . . . . . 160 ASP CB . 51514 1 320 . 1 . 1 42 42 ASP N N 15 123.417 0.000 . 1 . . . . . 160 ASP N . 51514 1 321 . 1 . 1 43 43 GLU H H 1 8.266 0.000 . 1 . . . . . 161 GLU H . 51514 1 322 . 1 . 1 43 43 GLU C C 13 176.681 0.000 . 1 . . . . . 161 GLU C . 51514 1 323 . 1 . 1 43 43 GLU CA C 13 57.466 0.000 . 1 . . . . . 161 GLU CA . 51514 1 324 . 1 . 1 43 43 GLU CB C 13 29.968 0.000 . 1 . . . . . 161 GLU CB . 51514 1 325 . 1 . 1 43 43 GLU CG C 13 35.746 0.000 . 1 . . . . . 161 GLU CG . 51514 1 326 . 1 . 1 43 43 GLU N N 15 122.975 0.000 . 1 . . . . . 161 GLU N . 51514 1 327 . 1 . 1 44 44 ASP H H 1 8.215 0.000 . 1 . . . . . 162 ASP H . 51514 1 328 . 1 . 1 44 44 ASP HA H 1 4.353 0.000 . 1 . . . . . 162 ASP HA . 51514 1 329 . 1 . 1 44 44 ASP HB2 H 1 2.511 0.000 . 1 . . . . . 162 ASP HB2 . 51514 1 330 . 1 . 1 44 44 ASP HB3 H 1 2.511 0.000 . 1 . . . . . 162 ASP HB3 . 51514 1 331 . 1 . 1 44 44 ASP C C 13 177.161 0.000 . 1 . . . . . 162 ASP C . 51514 1 332 . 1 . 1 44 44 ASP CA C 13 55.447 0.000 . 1 . . . . . 162 ASP CA . 51514 1 333 . 1 . 1 44 44 ASP CB C 13 40.766 0.000 . 1 . . . . . 162 ASP CB . 51514 1 334 . 1 . 1 44 44 ASP N N 15 121.307 0.000 . 1 . . . . . 162 ASP N . 51514 1 335 . 1 . 1 45 45 GLU H H 1 8.111 0.000 . 1 . . . . . 163 GLU H . 51514 1 336 . 1 . 1 45 45 GLU HA H 1 4.000 0.000 . 1 . . . . . 163 GLU HA . 51514 1 337 . 1 . 1 45 45 GLU C C 13 177.121 0.000 . 1 . . . . . 163 GLU C . 51514 1 338 . 1 . 1 45 45 GLU CA C 13 57.447 0.000 . 1 . . . . . 163 GLU CA . 51514 1 339 . 1 . 1 45 45 GLU CB C 13 29.702 0.000 . 1 . . . . . 163 GLU CB . 51514 1 340 . 1 . 1 45 45 GLU CG C 13 35.777 0.000 . 1 . . . . . 163 GLU CG . 51514 1 341 . 1 . 1 45 45 GLU N N 15 122.114 0.000 . 1 . . . . . 163 GLU N . 51514 1 342 . 1 . 1 46 46 LEU H H 1 7.949 0.000 . 1 . . . . . 164 LEU H . 51514 1 343 . 1 . 1 46 46 LEU HD11 H 1 0.717 0.000 . 1 . . . . . 164 LEU HD11 . 51514 1 344 . 1 . 1 46 46 LEU HD12 H 1 0.717 0.000 . 1 . . . . . 164 LEU HD12 . 51514 1 345 . 1 . 1 46 46 LEU HD13 H 1 0.717 0.000 . 1 . . . . . 164 LEU HD13 . 51514 1 346 . 1 . 1 46 46 LEU HD21 H 1 0.717 0.000 . 1 . . . . . 164 LEU HD21 . 51514 1 347 . 1 . 1 46 46 LEU HD22 H 1 0.717 0.000 . 1 . . . . . 164 LEU HD22 . 51514 1 348 . 1 . 1 46 46 LEU HD23 H 1 0.717 0.000 . 1 . . . . . 164 LEU HD23 . 51514 1 349 . 1 . 1 46 46 LEU C C 13 177.973 0.000 . 1 . . . . . 164 LEU C . 51514 1 350 . 1 . 1 46 46 LEU CA C 13 56.186 0.000 . 1 . . . . . 164 LEU CA . 51514 1 351 . 1 . 1 46 46 LEU CB C 13 41.820 0.000 . 1 . . . . . 164 LEU CB . 51514 1 352 . 1 . 1 46 46 LEU N N 15 122.544 0.000 . 1 . . . . . 164 LEU N . 51514 1 353 . 1 . 1 47 47 MET H H 1 8.059 0.000 . 1 . . . . . 165 MET H . 51514 1 354 . 1 . 1 47 47 MET C C 13 176.814 0.000 . 1 . . . . . 165 MET C . 51514 1 355 . 1 . 1 47 47 MET CA C 13 56.242 0.000 . 1 . . . . . 165 MET CA . 51514 1 356 . 1 . 1 47 47 MET CB C 13 32.338 0.000 . 1 . . . . . 165 MET CB . 51514 1 357 . 1 . 1 47 47 MET N N 15 120.450 0.000 . 1 . . . . . 165 MET N . 51514 1 358 . 1 . 1 48 48 ALA H H 1 7.935 0.000 . 1 . . . . . 166 ALA H . 51514 1 359 . 1 . 1 48 48 ALA HA H 1 4.079 0.000 . 1 . . . . . 166 ALA HA . 51514 1 360 . 1 . 1 48 48 ALA C C 13 178.505 0.000 . 1 . . . . . 166 ALA C . 51514 1 361 . 1 . 1 48 48 ALA CA C 13 53.437 0.000 . 1 . . . . . 166 ALA CA . 51514 1 362 . 1 . 1 48 48 ALA CB C 13 18.717 0.000 . 1 . . . . . 166 ALA CB . 51514 1 363 . 1 . 1 48 48 ALA N N 15 124.630 0.000 . 1 . . . . . 166 ALA N . 51514 1 364 . 1 . 1 49 49 GLU H H 1 8.095 0.000 . 1 . . . . . 167 GLU H . 51514 1 365 . 1 . 1 49 49 GLU C C 13 177.267 0.000 . 1 . . . . . 167 GLU C . 51514 1 366 . 1 . 1 49 49 GLU CA C 13 57.214 0.000 . 1 . . . . . 167 GLU CA . 51514 1 367 . 1 . 1 49 49 GLU CB C 13 29.561 0.000 . 1 . . . . . 167 GLU CB . 51514 1 368 . 1 . 1 49 49 GLU N N 15 120.179 0.000 . 1 . . . . . 167 GLU N . 51514 1 369 . 1 . 1 50 50 LEU HA H 1 4.085 0.000 . 1 . . . . . 168 LEU HA . 51514 1 370 . 1 . 1 50 50 LEU HD11 H 1 0.725 0.000 . 1 . . . . . 168 LEU HD11 . 51514 1 371 . 1 . 1 50 50 LEU HD12 H 1 0.725 0.000 . 1 . . . . . 168 LEU HD12 . 51514 1 372 . 1 . 1 50 50 LEU HD13 H 1 0.725 0.000 . 1 . . . . . 168 LEU HD13 . 51514 1 373 . 1 . 1 50 50 LEU HD21 H 1 0.725 0.000 . 1 . . . . . 168 LEU HD21 . 51514 1 374 . 1 . 1 50 50 LEU HD22 H 1 0.725 0.000 . 1 . . . . . 168 LEU HD22 . 51514 1 375 . 1 . 1 50 50 LEU HD23 H 1 0.725 0.000 . 1 . . . . . 168 LEU HD23 . 51514 1 376 . 1 . 1 50 50 LEU C C 13 178.133 0.000 . 1 . . . . . 168 LEU C . 51514 1 377 . 1 . 1 50 50 LEU CA C 13 56.138 0.000 . 1 . . . . . 168 LEU CA . 51514 1 378 . 1 . 1 50 50 LEU CB C 13 42.010 0.000 . 1 . . . . . 168 LEU CB . 51514 1 379 . 1 . 1 50 50 LEU CD1 C 13 24.877 0.000 . 1 . . . . . 168 LEU CD1 . 51514 1 380 . 1 . 1 50 50 LEU CD2 C 13 23.078 0.000 . 1 . . . . . 168 LEU CD2 . 51514 1 381 . 1 . 1 51 51 GLU H H 1 8.166 0.000 . 1 . . . . . 169 GLU H . 51514 1 382 . 1 . 1 51 51 GLU HA H 1 4.257 0.000 . 1 . . . . . 169 GLU HA . 51514 1 383 . 1 . 1 51 51 GLU C C 13 177.254 0.000 . 1 . . . . . 169 GLU C . 51514 1 384 . 1 . 1 51 51 GLU CA C 13 57.553 0.000 . 1 . . . . . 169 GLU CA . 51514 1 385 . 1 . 1 51 51 GLU CB C 13 29.793 0.000 . 1 . . . . . 169 GLU CB . 51514 1 386 . 1 . 1 51 51 GLU CG C 13 35.824 0.000 . 1 . . . . . 169 GLU CG . 51514 1 387 . 1 . 1 51 51 GLU N N 15 121.452 0.000 . 1 . . . . . 169 GLU N . 51514 1 388 . 1 . 1 52 52 GLU H H 1 8.095 0.000 . 1 . . . . . 170 GLU H . 51514 1 389 . 1 . 1 52 52 GLU HA H 1 4.045 0.000 . 1 . . . . . 170 GLU HA . 51514 1 390 . 1 . 1 52 52 GLU C C 13 177.334 0.000 . 1 . . . . . 170 GLU C . 51514 1 391 . 1 . 1 52 52 GLU CA C 13 57.464 0.000 . 1 . . . . . 170 GLU CA . 51514 1 392 . 1 . 1 52 52 GLU CB C 13 29.539 0.000 . 1 . . . . . 170 GLU CB . 51514 1 393 . 1 . 1 52 52 GLU CG C 13 35.824 0.000 . 1 . . . . . 170 GLU CG . 51514 1 394 . 1 . 1 52 52 GLU N N 15 121.777 0.000 . 1 . . . . . 170 GLU N . 51514 1 395 . 1 . 1 53 53 LEU H H 1 8.010 0.000 . 1 . . . . . 171 LEU H . 51514 1 396 . 1 . 1 53 53 LEU HA H 1 4.089 0.000 . 1 . . . . . 171 LEU HA . 51514 1 397 . 1 . 1 53 53 LEU HD11 H 1 0.725 0.000 . 1 . . . . . 171 LEU HD11 . 51514 1 398 . 1 . 1 53 53 LEU HD12 H 1 0.725 0.000 . 1 . . . . . 171 LEU HD12 . 51514 1 399 . 1 . 1 53 53 LEU HD13 H 1 0.725 0.000 . 1 . . . . . 171 LEU HD13 . 51514 1 400 . 1 . 1 53 53 LEU HD21 H 1 0.725 0.000 . 1 . . . . . 171 LEU HD21 . 51514 1 401 . 1 . 1 53 53 LEU HD22 H 1 0.725 0.000 . 1 . . . . . 171 LEU HD22 . 51514 1 402 . 1 . 1 53 53 LEU HD23 H 1 0.725 0.000 . 1 . . . . . 171 LEU HD23 . 51514 1 403 . 1 . 1 53 53 LEU C C 13 178.239 0.000 . 1 . . . . . 171 LEU C . 51514 1 404 . 1 . 1 53 53 LEU CA C 13 56.198 0.000 . 1 . . . . . 171 LEU CA . 51514 1 405 . 1 . 1 53 53 LEU CB C 13 42.152 0.000 . 1 . . . . . 171 LEU CB . 51514 1 406 . 1 . 1 53 53 LEU CD1 C 13 24.877 0.000 . 1 . . . . . 171 LEU CD1 . 51514 1 407 . 1 . 1 53 53 LEU CD2 C 13 22.922 0.000 . 1 . . . . . 171 LEU CD2 . 51514 1 408 . 1 . 1 53 53 LEU N N 15 122.608 0.000 . 1 . . . . . 171 LEU N . 51514 1 409 . 1 . 1 54 54 GLU H H 1 8.156 0.000 . 1 . . . . . 172 GLU H . 51514 1 410 . 1 . 1 54 54 GLU HA H 1 4.036 0.000 . 1 . . . . . 172 GLU HA . 51514 1 411 . 1 . 1 54 54 GLU C C 13 177.627 0.000 . 1 . . . . . 172 GLU C . 51514 1 412 . 1 . 1 54 54 GLU CA C 13 57.573 0.000 . 1 . . . . . 172 GLU CA . 51514 1 413 . 1 . 1 54 54 GLU CB C 13 29.596 0.000 . 1 . . . . . 172 GLU CB . 51514 1 414 . 1 . 1 54 54 GLU CG C 13 35.902 0.000 . 1 . . . . . 172 GLU CG . 51514 1 415 . 1 . 1 54 54 GLU N N 15 121.247 0.000 . 1 . . . . . 172 GLU N . 51514 1 416 . 1 . 1 55 55 GLN H H 1 8.154 0.000 . 1 . . . . . 173 GLN H . 51514 1 417 . 1 . 1 55 55 GLN HA H 1 3.970 0.000 . 1 . . . . . 173 GLN HA . 51514 1 418 . 1 . 1 55 55 GLN C C 13 177.054 0.000 . 1 . . . . . 173 GLN C . 51514 1 419 . 1 . 1 55 55 GLN CA C 13 57.280 0.000 . 1 . . . . . 173 GLN CA . 51514 1 420 . 1 . 1 55 55 GLN CB C 13 28.770 0.000 . 1 . . . . . 173 GLN CB . 51514 1 421 . 1 . 1 55 55 GLN CG C 13 33.600 0.000 . 1 . . . . . 173 GLN CG . 51514 1 422 . 1 . 1 55 55 GLN N N 15 120.987 0.000 . 1 . . . . . 173 GLN N . 51514 1 423 . 1 . 1 56 56 GLU H H 1 8.258 0.000 . 1 . . . . . 174 GLU H . 51514 1 424 . 1 . 1 56 56 GLU HA H 1 4.011 0.000 . 1 . . . . . 174 GLU HA . 51514 1 425 . 1 . 1 56 56 GLU C C 13 177.866 0.000 . 1 . . . . . 174 GLU C . 51514 1 426 . 1 . 1 56 56 GLU CA C 13 58.198 0.000 . 1 . . . . . 174 GLU CA . 51514 1 427 . 1 . 1 56 56 GLU CB C 13 29.538 0.000 . 1 . . . . . 174 GLU CB . 51514 1 428 . 1 . 1 56 56 GLU CG C 13 35.777 0.000 . 1 . . . . . 174 GLU CG . 51514 1 429 . 1 . 1 56 56 GLU N N 15 121.345 0.000 . 1 . . . . . 174 GLU N . 51514 1 430 . 1 . 1 57 57 GLU H H 1 8.025 0.000 . 1 . . . . . 175 GLU H . 51514 1 431 . 1 . 1 57 57 GLU HA H 1 3.977 0.000 . 1 . . . . . 175 GLU HA . 51514 1 432 . 1 . 1 57 57 GLU C C 13 177.980 0.000 . 1 . . . . . 175 GLU C . 51514 1 433 . 1 . 1 57 57 GLU CA C 13 57.954 0.000 . 1 . . . . . 175 GLU CA . 51514 1 434 . 1 . 1 57 57 GLU CB C 13 29.519 0.000 . 1 . . . . . 175 GLU CB . 51514 1 435 . 1 . 1 57 57 GLU CG C 13 35.777 0.000 . 1 . . . . . 175 GLU CG . 51514 1 436 . 1 . 1 57 57 GLU N N 15 120.771 0.000 . 1 . . . . . 175 GLU N . 51514 1 437 . 1 . 1 58 58 LEU H H 1 7.951 0.000 . 1 . . . . . 176 LEU H . 51514 1 438 . 1 . 1 58 58 LEU HA H 1 3.974 0.000 . 1 . . . . . 176 LEU HA . 51514 1 439 . 1 . 1 58 58 LEU HD11 H 1 0.725 0.000 . 1 . . . . . 176 LEU HD11 . 51514 1 440 . 1 . 1 58 58 LEU HD12 H 1 0.725 0.000 . 1 . . . . . 176 LEU HD12 . 51514 1 441 . 1 . 1 58 58 LEU HD13 H 1 0.725 0.000 . 1 . . . . . 176 LEU HD13 . 51514 1 442 . 1 . 1 58 58 LEU HD21 H 1 0.725 0.000 . 1 . . . . . 176 LEU HD21 . 51514 1 443 . 1 . 1 58 58 LEU HD22 H 1 0.725 0.000 . 1 . . . . . 176 LEU HD22 . 51514 1 444 . 1 . 1 58 58 LEU HD23 H 1 0.725 0.000 . 1 . . . . . 176 LEU HD23 . 51514 1 445 . 1 . 1 58 58 LEU C C 13 178.359 0.000 . 1 . . . . . 176 LEU C . 51514 1 446 . 1 . 1 58 58 LEU CA C 13 56.870 0.000 . 1 . . . . . 176 LEU CA . 51514 1 447 . 1 . 1 58 58 LEU CB C 13 41.736 0.000 . 1 . . . . . 176 LEU CB . 51514 1 448 . 1 . 1 58 58 LEU CG C 13 26.893 0.000 . 1 . . . . . 176 LEU CG . 51514 1 449 . 1 . 1 58 58 LEU CD1 C 13 24.435 0.000 . 1 . . . . . 176 LEU CD1 . 51514 1 450 . 1 . 1 58 58 LEU CD2 C 13 23.469 0.000 . 1 . . . . . 176 LEU CD2 . 51514 1 451 . 1 . 1 58 58 LEU N N 15 122.088 0.000 . 1 . . . . . 176 LEU N . 51514 1 452 . 1 . 1 59 59 ASN H H 1 8.151 0.000 . 1 . . . . . 177 ASN H . 51514 1 453 . 1 . 1 59 59 ASN HA H 1 4.397 0.000 . 1 . . . . . 177 ASN HA . 51514 1 454 . 1 . 1 59 59 ASN HB2 H 1 2.682 0.000 . 1 . . . . . 177 ASN HB2 . 51514 1 455 . 1 . 1 59 59 ASN HB3 H 1 2.682 0.000 . 1 . . . . . 177 ASN HB3 . 51514 1 456 . 1 . 1 59 59 ASN C C 13 176.428 0.000 . 1 . . . . . 177 ASN C . 51514 1 457 . 1 . 1 59 59 ASN CA C 13 54.470 0.000 . 1 . . . . . 177 ASN CA . 51514 1 458 . 1 . 1 59 59 ASN CB C 13 38.224 0.000 . 1 . . . . . 177 ASN CB . 51514 1 459 . 1 . 1 59 59 ASN N N 15 118.174 0.000 . 1 . . . . . 177 ASN N . 51514 1 460 . 1 . 1 60 60 LYS H H 1 7.783 0.000 . 1 . . . . . 178 LYS H . 51514 1 461 . 1 . 1 60 60 LYS HA H 1 4.000 0.000 . 1 . . . . . 178 LYS HA . 51514 1 462 . 1 . 1 60 60 LYS HE2 H 1 2.801 0.000 . 1 . . . . . 178 LYS HE2 . 51514 1 463 . 1 . 1 60 60 LYS HE3 H 1 2.801 0.000 . 1 . . . . . 178 LYS HE3 . 51514 1 464 . 1 . 1 60 60 LYS C C 13 177.241 0.000 . 1 . . . . . 178 LYS C . 51514 1 465 . 1 . 1 60 60 LYS CA C 13 57.665 0.000 . 1 . . . . . 178 LYS CA . 51514 1 466 . 1 . 1 60 60 LYS CB C 13 32.578 0.000 . 1 . . . . . 178 LYS CB . 51514 1 467 . 1 . 1 60 60 LYS CG C 13 24.703 0.000 . 1 . . . . . 178 LYS CG . 51514 1 468 . 1 . 1 60 60 LYS CD C 13 28.840 0.000 . 1 . . . . . 178 LYS CD . 51514 1 469 . 1 . 1 60 60 LYS CE C 13 40.645 0.000 . 1 . . . . . 178 LYS CE . 51514 1 470 . 1 . 1 60 60 LYS N N 15 120.901 0.000 . 1 . . . . . 178 LYS N . 51514 1 471 . 1 . 1 61 61 LYS H H 1 7.886 0.000 . 1 . . . . . 179 LYS H . 51514 1 472 . 1 . 1 61 61 LYS HA H 1 4.087 0.000 . 1 . . . . . 179 LYS HA . 51514 1 473 . 1 . 1 61 61 LYS HE2 H 1 2.809 0.000 . 1 . . . . . 179 LYS HE2 . 51514 1 474 . 1 . 1 61 61 LYS HE3 H 1 2.809 0.000 . 1 . . . . . 179 LYS HE3 . 51514 1 475 . 1 . 1 61 61 LYS C C 13 177.104 0.000 . 1 . . . . . 179 LYS C . 51514 1 476 . 1 . 1 61 61 LYS CA C 13 57.033 0.000 . 1 . . . . . 179 LYS CA . 51514 1 477 . 1 . 1 61 61 LYS CB C 13 32.589 0.000 . 1 . . . . . 179 LYS CB . 51514 1 478 . 1 . 1 61 61 LYS CG C 13 24.581 0.000 . 1 . . . . . 179 LYS CG . 51514 1 479 . 1 . 1 61 61 LYS CD C 13 28.840 0.000 . 1 . . . . . 179 LYS CD . 51514 1 480 . 1 . 1 61 61 LYS N N 15 120.761 0.000 . 1 . . . . . 179 LYS N . 51514 1 481 . 1 . 1 62 62 MET H H 1 8.043 0.000 . 1 . . . . . 180 MET H . 51514 1 482 . 1 . 1 62 62 MET HA H 1 4.337 0.000 . 1 . . . . . 180 MET HA . 51514 1 483 . 1 . 1 62 62 MET C C 13 176.535 0.000 . 1 . . . . . 180 MET C . 51514 1 484 . 1 . 1 62 62 MET CA C 13 55.777 0.000 . 1 . . . . . 180 MET CA . 51514 1 485 . 1 . 1 62 62 MET CB C 13 32.470 0.000 . 1 . . . . . 180 MET CB . 51514 1 486 . 1 . 1 62 62 MET N N 15 120.142 0.000 . 1 . . . . . 180 MET N . 51514 1 487 . 1 . 1 63 63 THR H H 1 7.881 0.000 . 1 . . . . . 181 THR H . 51514 1 488 . 1 . 1 63 63 THR C C 13 174.178 0.000 . 1 . . . . . 181 THR C . 51514 1 489 . 1 . 1 63 63 THR CA C 13 62.344 0.000 . 1 . . . . . 181 THR CA . 51514 1 490 . 1 . 1 63 63 THR CB C 13 69.650 0.000 . 1 . . . . . 181 THR CB . 51514 1 491 . 1 . 1 63 63 THR CG2 C 13 20.999 0.000 . 1 . . . . . 181 THR CG2 . 51514 1 492 . 1 . 1 63 63 THR N N 15 114.742 0.000 . 1 . . . . . 181 THR N . 51514 1 493 . 1 . 1 64 64 ASN H H 1 8.207 0.000 . 1 . . . . . 182 ASN H . 51514 1 494 . 1 . 1 64 64 ASN HA H 1 4.554 0.000 . 1 . . . . . 182 ASN HA . 51514 1 495 . 1 . 1 64 64 ASN C C 13 174.844 0.000 . 1 . . . . . 182 ASN C . 51514 1 496 . 1 . 1 64 64 ASN CA C 13 53.338 0.000 . 1 . . . . . 182 ASN CA . 51514 1 497 . 1 . 1 64 64 ASN CB C 13 38.615 0.000 . 1 . . . . . 182 ASN CB . 51514 1 498 . 1 . 1 64 64 ASN N N 15 121.338 0.000 . 1 . . . . . 182 ASN N . 51514 1 499 . 1 . 1 65 65 ILE H H 1 7.812 0.000 . 1 . . . . . 183 ILE H . 51514 1 500 . 1 . 1 65 65 ILE HA H 1 3.974 0.000 . 1 . . . . . 183 ILE HA . 51514 1 501 . 1 . 1 65 65 ILE HD11 H 1 0.700 0.000 . 1 . . . . . 183 ILE HD11 . 51514 1 502 . 1 . 1 65 65 ILE HD12 H 1 0.700 0.000 . 1 . . . . . 183 ILE HD12 . 51514 1 503 . 1 . 1 65 65 ILE HD13 H 1 0.700 0.000 . 1 . . . . . 183 ILE HD13 . 51514 1 504 . 1 . 1 65 65 ILE C C 13 175.683 0.000 . 1 . . . . . 183 ILE C . 51514 1 505 . 1 . 1 65 65 ILE CA C 13 61.182 0.000 . 1 . . . . . 183 ILE CA . 51514 1 506 . 1 . 1 65 65 ILE CB C 13 38.607 0.000 . 1 . . . . . 183 ILE CB . 51514 1 507 . 1 . 1 65 65 ILE CG1 C 13 26.802 0.000 . 1 . . . . . 183 ILE CG1 . 51514 1 508 . 1 . 1 65 65 ILE CG2 C 13 17.165 0.000 . 1 . . . . . 183 ILE CG2 . 51514 1 509 . 1 . 1 65 65 ILE CD1 C 13 12.576 0.000 . 1 . . . . . 183 ILE CD1 . 51514 1 510 . 1 . 1 65 65 ILE N N 15 121.128 0.000 . 1 . . . . . 183 ILE N . 51514 1 511 . 1 . 1 66 66 ARG H H 1 8.173 0.000 . 1 . . . . . 184 ARG H . 51514 1 512 . 1 . 1 66 66 ARG HA H 1 4.195 0.000 . 1 . . . . . 184 ARG HA . 51514 1 513 . 1 . 1 66 66 ARG HD2 H 1 3.013 0.000 . 1 . . . . . 184 ARG HD2 . 51514 1 514 . 1 . 1 66 66 ARG HD3 H 1 3.013 0.000 . 1 . . . . . 184 ARG HD3 . 51514 1 515 . 1 . 1 66 66 ARG C C 13 175.696 0.000 . 1 . . . . . 184 ARG C . 51514 1 516 . 1 . 1 66 66 ARG CA C 13 55.550 0.000 . 1 . . . . . 184 ARG CA . 51514 1 517 . 1 . 1 66 66 ARG CB C 13 30.634 0.000 . 1 . . . . . 184 ARG CB . 51514 1 518 . 1 . 1 66 66 ARG CG C 13 26.893 0.000 . 1 . . . . . 184 ARG CG . 51514 1 519 . 1 . 1 66 66 ARG CD C 13 43.201 0.000 . 1 . . . . . 184 ARG CD . 51514 1 520 . 1 . 1 66 66 ARG N N 15 125.611 0.000 . 1 . . . . . 184 ARG N . 51514 1 521 . 1 . 1 67 67 LEU H H 1 8.129 0.000 . 1 . . . . . 185 LEU H . 51514 1 522 . 1 . 1 67 67 LEU C C 13 175.090 0.000 . 1 . . . . . 185 LEU C . 51514 1 523 . 1 . 1 67 67 LEU CA C 13 52.805 0.000 . 1 . . . . . 185 LEU CA . 51514 1 524 . 1 . 1 67 67 LEU CB C 13 41.582 0.000 . 1 . . . . . 185 LEU CB . 51514 1 525 . 1 . 1 67 67 LEU N N 15 125.975 0.000 . 1 . . . . . 185 LEU N . 51514 1 526 . 1 . 1 68 68 PRO HA H 1 4.228 0.000 . 1 . . . . . 186 PRO HA . 51514 1 527 . 1 . 1 68 68 PRO HB2 H 1 2.091 0.000 . 1 . . . . . 186 PRO HB2 . 51514 1 528 . 1 . 1 68 68 PRO HB3 H 1 2.091 0.000 . 1 . . . . . 186 PRO HB3 . 51514 1 529 . 1 . 1 68 68 PRO HG2 H 1 1.719 0.000 . 1 . . . . . 186 PRO HG2 . 51514 1 530 . 1 . 1 68 68 PRO HG3 H 1 1.843 0.000 . 1 . . . . . 186 PRO HG3 . 51514 1 531 . 1 . 1 68 68 PRO HD2 H 1 3.483 0.000 . 1 . . . . . 186 PRO HD2 . 51514 1 532 . 1 . 1 68 68 PRO HD3 H 1 3.619 0.000 . 1 . . . . . 186 PRO HD3 . 51514 1 533 . 1 . 1 68 68 PRO C C 13 176.482 0.000 . 1 . . . . . 186 PRO C . 51514 1 534 . 1 . 1 68 68 PRO CA C 13 63.103 0.000 . 1 . . . . . 186 PRO CA . 51514 1 535 . 1 . 1 68 68 PRO CB C 13 31.825 0.000 . 1 . . . . . 186 PRO CB . 51514 1 536 . 1 . 1 68 68 PRO CG C 13 27.136 0.000 . 1 . . . . . 186 PRO CG . 51514 1 537 . 1 . 1 68 68 PRO CD C 13 50.259 0.000 . 1 . . . . . 186 PRO CD . 51514 1 538 . 1 . 1 69 69 ASN H H 1 8.315 0.000 . 1 . . . . . 187 ASN H . 51514 1 539 . 1 . 1 69 69 ASN HA H 1 4.456 0.000 . 1 . . . . . 187 ASN HA . 51514 1 540 . 1 . 1 69 69 ASN HB2 H 1 2.597 0.000 . 1 . . . . . 187 ASN HB2 . 51514 1 541 . 1 . 1 69 69 ASN HB3 H 1 2.597 0.000 . 1 . . . . . 187 ASN HB3 . 51514 1 542 . 1 . 1 69 69 ASN C C 13 174.618 0.000 . 1 . . . . . 187 ASN C . 51514 1 543 . 1 . 1 69 69 ASN CA C 13 53.216 0.000 . 1 . . . . . 187 ASN CA . 51514 1 544 . 1 . 1 69 69 ASN CB C 13 38.557 0.000 . 1 . . . . . 187 ASN CB . 51514 1 545 . 1 . 1 69 69 ASN N N 15 118.625 0.000 . 1 . . . . . 187 ASN N . 51514 1 546 . 1 . 1 70 70 VAL H H 1 7.800 0.000 . 1 . . . . . 188 VAL H . 51514 1 547 . 1 . 1 70 70 VAL C C 13 174.232 0.000 . 1 . . . . . 188 VAL C . 51514 1 548 . 1 . 1 70 70 VAL CA C 13 59.682 0.000 . 1 . . . . . 188 VAL CA . 51514 1 549 . 1 . 1 70 70 VAL CB C 13 32.565 0.000 . 1 . . . . . 188 VAL CB . 51514 1 550 . 1 . 1 70 70 VAL N N 15 121.833 0.000 . 1 . . . . . 188 VAL N . 51514 1 551 . 1 . 1 71 71 PRO HA H 1 4.257 0.000 . 1 . . . . . 189 PRO HA . 51514 1 552 . 1 . 1 71 71 PRO HB2 H 1 2.146 0.000 . 1 . . . . . 189 PRO HB2 . 51514 1 553 . 1 . 1 71 71 PRO HB3 H 1 2.146 0.000 . 1 . . . . . 189 PRO HB3 . 51514 1 554 . 1 . 1 71 71 PRO HG2 H 1 1.791 0.000 . 1 . . . . . 189 PRO HG2 . 51514 1 555 . 1 . 1 71 71 PRO HG3 H 1 1.865 0.000 . 1 . . . . . 189 PRO HG3 . 51514 1 556 . 1 . 1 71 71 PRO HD2 H 1 3.668 0.000 . 1 . . . . . 189 PRO HD2 . 51514 1 557 . 1 . 1 71 71 PRO HD3 H 1 3.507 0.000 . 1 . . . . . 189 PRO HD3 . 51514 1 558 . 1 . 1 71 71 PRO C C 13 177.001 0.000 . 1 . . . . . 189 PRO C . 51514 1 559 . 1 . 1 71 71 PRO CA C 13 62.999 0.000 . 1 . . . . . 189 PRO CA . 51514 1 560 . 1 . 1 71 71 PRO CB C 13 32.032 0.000 . 1 . . . . . 189 PRO CB . 51514 1 561 . 1 . 1 71 71 PRO CG C 13 27.136 0.000 . 1 . . . . . 189 PRO CG . 51514 1 562 . 1 . 1 71 71 PRO CD C 13 50.867 0.000 . 1 . . . . . 189 PRO CD . 51514 1 563 . 1 . 1 72 72 SER H H 1 8.332 0.000 . 1 . . . . . 190 SER H . 51514 1 564 . 1 . 1 72 72 SER C C 13 174.618 0.000 . 1 . . . . . 190 SER C . 51514 1 565 . 1 . 1 72 72 SER CA C 13 58.586 0.000 . 1 . . . . . 190 SER CA . 51514 1 566 . 1 . 1 72 72 SER CB C 13 63.694 0.000 . 1 . . . . . 190 SER CB . 51514 1 567 . 1 . 1 72 72 SER N N 15 116.851 0.000 . 1 . . . . . 190 SER N . 51514 1 568 . 1 . 1 73 73 CYS HA H 1 4.417 0.000 . 1 . . . . . 191 CYS HA . 51514 1 569 . 1 . 1 73 73 CYS HB2 H 1 2.801 0.000 . 1 . . . . . 191 CYS HB2 . 51514 1 570 . 1 . 1 73 73 CYS HB3 H 1 2.801 0.000 . 1 . . . . . 191 CYS HB3 . 51514 1 571 . 1 . 1 73 73 CYS C C 13 174.232 0.000 . 1 . . . . . 191 CYS C . 51514 1 572 . 1 . 1 73 73 CYS CA C 13 58.169 0.000 . 1 . . . . . 191 CYS CA . 51514 1 573 . 1 . 1 73 73 CYS CB C 13 27.927 0.000 . 1 . . . . . 191 CYS CB . 51514 1 574 . 1 . 1 74 74 SER H H 1 8.229 0.000 . 1 . . . . . 192 SER H . 51514 1 575 . 1 . 1 74 74 SER HA H 1 4.309 0.000 . 1 . . . . . 192 SER HA . 51514 1 576 . 1 . 1 74 74 SER HB2 H 1 3.668 0.000 . 1 . . . . . 192 SER HB2 . 51514 1 577 . 1 . 1 74 74 SER HB3 H 1 3.668 0.000 . 1 . . . . . 192 SER HB3 . 51514 1 578 . 1 . 1 74 74 SER C C 13 173.779 0.000 . 1 . . . . . 192 SER C . 51514 1 579 . 1 . 1 74 74 SER CA C 13 58.297 0.000 . 1 . . . . . 192 SER CA . 51514 1 580 . 1 . 1 74 74 SER CB C 13 63.766 0.000 . 1 . . . . . 192 SER CB . 51514 1 581 . 1 . 1 74 74 SER N N 15 119.053 0.000 . 1 . . . . . 192 SER N . 51514 1 582 . 1 . 1 75 75 LEU H H 1 8.012 0.000 . 1 . . . . . 193 LEU H . 51514 1 583 . 1 . 1 75 75 LEU C C 13 174.990 0.000 . 1 . . . . . 193 LEU C . 51514 1 584 . 1 . 1 75 75 LEU CA C 13 53.005 0.000 . 1 . . . . . 193 LEU CA . 51514 1 585 . 1 . 1 75 75 LEU CB C 13 41.707 0.000 . 1 . . . . . 193 LEU CB . 51514 1 586 . 1 . 1 75 75 LEU N N 15 125.853 0.000 . 1 . . . . . 193 LEU N . 51514 1 587 . 1 . 1 76 76 PRO C C 13 176.463 0.000 . 1 . . . . . 194 PRO C . 51514 1 588 . 1 . 1 76 76 PRO CA C 13 62.911 0.000 . 1 . . . . . 194 PRO CA . 51514 1 589 . 1 . 1 76 76 PRO CB C 13 31.833 0.000 . 1 . . . . . 194 PRO CB . 51514 1 590 . 1 . 1 76 76 PRO CG C 13 26.893 0.000 . 1 . . . . . 194 PRO CG . 51514 1 591 . 1 . 1 76 76 PRO CD C 13 50.381 0.000 . 1 . . . . . 194 PRO CD . 51514 1 592 . 1 . 1 77 77 ALA H H 1 8.200 0.000 . 1 . . . . . 195 ALA H . 51514 1 593 . 1 . 1 77 77 ALA HA H 1 4.098 0.000 . 1 . . . . . 195 ALA HA . 51514 1 594 . 1 . 1 77 77 ALA HB1 H 1 1.178 0.000 . 1 . . . . . 195 ALA HB1 . 51514 1 595 . 1 . 1 77 77 ALA HB2 H 1 1.178 0.000 . 1 . . . . . 195 ALA HB2 . 51514 1 596 . 1 . 1 77 77 ALA HB3 H 1 1.178 0.000 . 1 . . . . . 195 ALA HB3 . 51514 1 597 . 1 . 1 77 77 ALA C C 13 177.434 0.000 . 1 . . . . . 195 ALA C . 51514 1 598 . 1 . 1 77 77 ALA CA C 13 52.339 0.000 . 1 . . . . . 195 ALA CA . 51514 1 599 . 1 . 1 77 77 ALA CB C 13 18.983 0.000 . 1 . . . . . 195 ALA CB . 51514 1 600 . 1 . 1 77 77 ALA N N 15 124.722 0.000 . 1 . . . . . 195 ALA N . 51514 1 601 . 1 . 1 78 78 GLN H H 1 8.198 0.000 . 1 . . . . . 196 GLN H . 51514 1 602 . 1 . 1 78 78 GLN C C 13 174.032 0.000 . 1 . . . . . 196 GLN C . 51514 1 603 . 1 . 1 78 78 GLN CA C 13 53.426 0.000 . 1 . . . . . 196 GLN CA . 51514 1 604 . 1 . 1 78 78 GLN CB C 13 28.903 0.000 . 1 . . . . . 196 GLN CB . 51514 1 605 . 1 . 1 78 78 GLN N N 15 120.931 0.000 . 1 . . . . . 196 GLN N . 51514 1 606 . 1 . 1 79 79 PRO HA H 1 4.221 0.000 . 1 . . . . . 197 PRO HA . 51514 1 607 . 1 . 1 79 79 PRO HB2 H 1 2.095 0.000 . 1 . . . . . 197 PRO HB2 . 51514 1 608 . 1 . 1 79 79 PRO HB3 H 1 2.095 0.000 . 1 . . . . . 197 PRO HB3 . 51514 1 609 . 1 . 1 79 79 PRO HG2 H 1 1.714 0.000 . 1 . . . . . 197 PRO HG2 . 51514 1 610 . 1 . 1 79 79 PRO HG3 H 1 1.831 0.000 . 1 . . . . . 197 PRO HG3 . 51514 1 611 . 1 . 1 79 79 PRO HD2 H 1 3.495 0.000 . 1 . . . . . 197 PRO HD2 . 51514 1 612 . 1 . 1 79 79 PRO HD3 H 1 3.571 0.000 . 1 . . . . . 197 PRO HD3 . 51514 1 613 . 1 . 1 79 79 PRO C C 13 176.482 0.000 . 1 . . . . . 197 PRO C . 51514 1 614 . 1 . 1 79 79 PRO CA C 13 63.236 0.000 . 1 . . . . . 197 PRO CA . 51514 1 615 . 1 . 1 79 79 PRO CB C 13 31.883 0.000 . 1 . . . . . 197 PRO CB . 51514 1 616 . 1 . 1 79 79 PRO CG C 13 27.015 0.000 . 1 . . . . . 197 PRO CG . 51514 1 617 . 1 . 1 79 79 PRO CD C 13 50.381 0.000 . 1 . . . . . 197 PRO CD . 51514 1 618 . 1 . 1 80 80 ASN H H 1 8.391 0.000 . 1 . . . . . 198 ASN H . 51514 1 619 . 1 . 1 80 80 ASN HA H 1 4.461 0.000 . 1 . . . . . 198 ASN HA . 51514 1 620 . 1 . 1 80 80 ASN HB2 H 1 2.612 0.000 . 1 . . . . . 198 ASN HB2 . 51514 1 621 . 1 . 1 80 80 ASN HB3 H 1 2.612 0.000 . 1 . . . . . 198 ASN HB3 . 51514 1 622 . 1 . 1 80 80 ASN C C 13 174.897 0.000 . 1 . . . . . 198 ASN C . 51514 1 623 . 1 . 1 80 80 ASN CA C 13 53.205 0.000 . 1 . . . . . 198 ASN CA . 51514 1 624 . 1 . 1 80 80 ASN CB C 13 38.532 0.000 . 1 . . . . . 198 ASN CB . 51514 1 625 . 1 . 1 80 80 ASN N N 15 119.115 0.000 . 1 . . . . . 198 ASN N . 51514 1 626 . 1 . 1 81 81 ARG H H 1 8.062 0.000 . 1 . . . . . 199 ARG H . 51514 1 627 . 1 . 1 81 81 ARG HA H 1 4.181 0.000 . 1 . . . . . 199 ARG HA . 51514 1 628 . 1 . 1 81 81 ARG C C 13 175.736 0.000 . 1 . . . . . 199 ARG C . 51514 1 629 . 1 . 1 81 81 ARG CA C 13 55.801 0.000 . 1 . . . . . 199 ARG CA . 51514 1 630 . 1 . 1 81 81 ARG CB C 13 30.834 0.000 . 1 . . . . . 199 ARG CB . 51514 1 631 . 1 . 1 81 81 ARG CG C 13 26.771 0.000 . 1 . . . . . 199 ARG CG . 51514 1 632 . 1 . 1 81 81 ARG CD C 13 43.079 0.000 . 1 . . . . . 199 ARG CD . 51514 1 633 . 1 . 1 81 81 ARG N N 15 122.132 0.000 . 1 . . . . . 199 ARG N . 51514 1 634 . 1 . 1 82 82 LYS H H 1 8.217 0.000 . 1 . . . . . 200 LYS H . 51514 1 635 . 1 . 1 82 82 LYS C C 13 174.338 0.000 . 1 . . . . . 200 LYS C . 51514 1 636 . 1 . 1 82 82 LYS CA C 13 54.218 0.000 . 1 . . . . . 200 LYS CA . 51514 1 637 . 1 . 1 82 82 LYS CB C 13 32.332 0.000 . 1 . . . . . 200 LYS CB . 51514 1 638 . 1 . 1 82 82 LYS N N 15 124.862 0.000 . 1 . . . . . 200 LYS N . 51514 1 639 . 1 . 1 83 83 PRO HA H 1 4.231 0.000 . 1 . . . . . 201 PRO HA . 51514 1 640 . 1 . 1 83 83 PRO HB2 H 1 2.112 0.000 . 1 . . . . . 201 PRO HB2 . 51514 1 641 . 1 . 1 83 83 PRO HB3 H 1 2.112 0.000 . 1 . . . . . 201 PRO HB3 . 51514 1 642 . 1 . 1 83 83 PRO HG2 H 1 1.772 0.000 . 1 . . . . . 201 PRO HG2 . 51514 1 643 . 1 . 1 83 83 PRO HG3 H 1 1.857 0.000 . 1 . . . . . 201 PRO HG3 . 51514 1 644 . 1 . 1 83 83 PRO HD2 H 1 3.470 0.000 . 1 . . . . . 201 PRO HD2 . 51514 1 645 . 1 . 1 83 83 PRO HD3 H 1 3.647 0.000 . 1 . . . . . 201 PRO HD3 . 51514 1 646 . 1 . 1 83 83 PRO C C 13 177.387 0.000 . 1 . . . . . 201 PRO C . 51514 1 647 . 1 . 1 83 83 PRO CA C 13 63.458 0.000 . 1 . . . . . 201 PRO CA . 51514 1 648 . 1 . 1 83 83 PRO CB C 13 31.833 0.000 . 1 . . . . . 201 PRO CB . 51514 1 649 . 1 . 1 83 83 PRO CG C 13 27.258 0.000 . 1 . . . . . 201 PRO CG . 51514 1 650 . 1 . 1 83 83 PRO CD C 13 50.381 0.000 . 1 . . . . . 201 PRO CD . 51514 1 651 . 1 . 1 84 84 GLY H H 1 8.398 0.000 . 1 . . . . . 202 GLY H . 51514 1 652 . 1 . 1 84 84 GLY HA2 H 1 3.770 0.000 . 1 . . . . . 202 GLY HA2 . 51514 1 653 . 1 . 1 84 84 GLY HA3 H 1 3.770 0.000 . 1 . . . . . 202 GLY HA3 . 51514 1 654 . 1 . 1 84 84 GLY C C 13 174.205 0.000 . 1 . . . . . 202 GLY C . 51514 1 655 . 1 . 1 84 84 GLY CA C 13 45.215 0.000 . 1 . . . . . 202 GLY CA . 51514 1 656 . 1 . 1 84 84 GLY N N 15 110.045 0.000 . 1 . . . . . 202 GLY N . 51514 1 657 . 1 . 1 85 85 MET H H 1 8.050 0.000 . 1 . . . . . 203 MET H . 51514 1 658 . 1 . 1 85 85 MET HA H 1 4.346 0.000 . 1 . . . . . 203 MET HA . 51514 1 659 . 1 . 1 85 85 MET C C 13 176.362 0.000 . 1 . . . . . 203 MET C . 51514 1 660 . 1 . 1 85 85 MET CA C 13 55.418 0.000 . 1 . . . . . 203 MET CA . 51514 1 661 . 1 . 1 85 85 MET CB C 13 33.072 0.000 . 1 . . . . . 203 MET CB . 51514 1 662 . 1 . 1 85 85 MET N N 15 120.439 0.000 . 1 . . . . . 203 MET N . 51514 1 663 . 1 . 1 86 86 SER H H 1 8.329 0.000 . 1 . . . . . 204 SER H . 51514 1 664 . 1 . 1 86 86 SER HA H 1 4.310 0.000 . 1 . . . . . 204 SER HA . 51514 1 665 . 1 . 1 86 86 SER HB2 H 1 3.776 0.000 . 1 . . . . . 204 SER HB2 . 51514 1 666 . 1 . 1 86 86 SER HB3 H 1 3.710 0.000 . 1 . . . . . 204 SER HB3 . 51514 1 667 . 1 . 1 86 86 SER C C 13 174.764 0.000 . 1 . . . . . 204 SER C . 51514 1 668 . 1 . 1 86 86 SER CA C 13 58.357 0.000 . 1 . . . . . 204 SER CA . 51514 1 669 . 1 . 1 86 86 SER CB C 13 63.800 0.000 . 1 . . . . . 204 SER CB . 51514 1 670 . 1 . 1 86 86 SER N N 15 117.930 0.000 . 1 . . . . . 204 SER N . 51514 1 671 . 1 . 1 87 87 SER H H 1 8.395 0.000 . 1 . . . . . 205 SER H . 51514 1 672 . 1 . 1 87 87 SER HA H 1 4.310 0.000 . 1 . . . . . 205 SER HA . 51514 1 673 . 1 . 1 87 87 SER HB2 H 1 3.780 0.000 . 1 . . . . . 205 SER HB2 . 51514 1 674 . 1 . 1 87 87 SER HB3 H 1 3.713 0.000 . 1 . . . . . 205 SER HB3 . 51514 1 675 . 1 . 1 87 87 SER C C 13 175.164 0.000 . 1 . . . . . 205 SER C . 51514 1 676 . 1 . 1 87 87 SER CA C 13 58.772 0.000 . 1 . . . . . 205 SER CA . 51514 1 677 . 1 . 1 87 87 SER CB C 13 63.598 0.000 . 1 . . . . . 205 SER CB . 51514 1 678 . 1 . 1 87 87 SER N N 15 118.727 0.000 . 1 . . . . . 205 SER N . 51514 1 679 . 1 . 1 88 88 THR H H 1 8.036 0.000 . 1 . . . . . 206 THR H . 51514 1 680 . 1 . 1 88 88 THR HG21 H 1 1.032 0.000 . 1 . . . . . 206 THR HG21 . 51514 1 681 . 1 . 1 88 88 THR HG22 H 1 1.032 0.000 . 1 . . . . . 206 THR HG22 . 51514 1 682 . 1 . 1 88 88 THR HG23 H 1 1.032 0.000 . 1 . . . . . 206 THR HG23 . 51514 1 683 . 1 . 1 88 88 THR C C 13 174.578 0.000 . 1 . . . . . 206 THR C . 51514 1 684 . 1 . 1 88 88 THR CA C 13 62.393 0.000 . 1 . . . . . 206 THR CA . 51514 1 685 . 1 . 1 88 88 THR CB C 13 69.382 0.000 . 1 . . . . . 206 THR CB . 51514 1 686 . 1 . 1 88 88 THR CG2 C 13 21.173 0.000 . 1 . . . . . 206 THR CG2 . 51514 1 687 . 1 . 1 88 88 THR N N 15 116.338 0.000 . 1 . . . . . 206 THR N . 51514 1 688 . 1 . 1 89 89 ALA H H 1 8.030 0.000 . 1 . . . . . 207 ALA H . 51514 1 689 . 1 . 1 89 89 ALA HA H 1 4.107 0.000 . 1 . . . . . 207 ALA HA . 51514 1 690 . 1 . 1 89 89 ALA HB1 H 1 1.212 0.000 . 1 . . . . . 207 ALA HB1 . 51514 1 691 . 1 . 1 89 89 ALA HB2 H 1 1.212 0.000 . 1 . . . . . 207 ALA HB2 . 51514 1 692 . 1 . 1 89 89 ALA HB3 H 1 1.212 0.000 . 1 . . . . . 207 ALA HB3 . 51514 1 693 . 1 . 1 89 89 ALA C C 13 177.826 0.000 . 1 . . . . . 207 ALA C . 51514 1 694 . 1 . 1 89 89 ALA CA C 13 52.777 0.000 . 1 . . . . . 207 ALA CA . 51514 1 695 . 1 . 1 89 89 ALA CB C 13 18.964 0.000 . 1 . . . . . 207 ALA CB . 51514 1 696 . 1 . 1 89 89 ALA N N 15 126.834 0.000 . 1 . . . . . 207 ALA N . 51514 1 697 . 1 . 1 90 90 ARG H H 1 8.123 0.000 . 1 . . . . . 208 ARG H . 51514 1 698 . 1 . 1 90 90 ARG C C 13 176.575 0.000 . 1 . . . . . 208 ARG C . 51514 1 699 . 1 . 1 90 90 ARG CA C 13 56.400 0.000 . 1 . . . . . 208 ARG CA . 51514 1 700 . 1 . 1 90 90 ARG CB C 13 30.568 0.000 . 1 . . . . . 208 ARG CB . 51514 1 701 . 1 . 1 90 90 ARG CG C 13 27.015 0.000 . 1 . . . . . 208 ARG CG . 51514 1 702 . 1 . 1 90 90 ARG CD C 13 42.957 0.000 . 1 . . . . . 208 ARG CD . 51514 1 703 . 1 . 1 90 90 ARG N N 15 120.772 0.000 . 1 . . . . . 208 ARG N . 51514 1 704 . 1 . 1 91 91 ARG H H 1 8.214 0.000 . 1 . . . . . 209 ARG H . 51514 1 705 . 1 . 1 91 91 ARG HA H 1 4.160 0.000 . 1 . . . . . 209 ARG HA . 51514 1 706 . 1 . 1 91 91 ARG HD2 H 1 3.004 0.000 . 1 . . . . . 209 ARG HD2 . 51514 1 707 . 1 . 1 91 91 ARG HD3 H 1 3.004 0.000 . 1 . . . . . 209 ARG HD3 . 51514 1 708 . 1 . 1 91 91 ARG C C 13 176.455 0.000 . 1 . . . . . 209 ARG C . 51514 1 709 . 1 . 1 91 91 ARG CA C 13 56.275 0.000 . 1 . . . . . 209 ARG CA . 51514 1 710 . 1 . 1 91 91 ARG CB C 13 30.634 0.000 . 1 . . . . . 209 ARG CB . 51514 1 711 . 1 . 1 91 91 ARG CG C 13 27.015 0.000 . 1 . . . . . 209 ARG CG . 51514 1 712 . 1 . 1 91 91 ARG CD C 13 43.201 0.000 . 1 . . . . . 209 ARG CD . 51514 1 713 . 1 . 1 91 91 ARG N N 15 122.534 0.000 . 1 . . . . . 209 ARG N . 51514 1 714 . 1 . 1 92 92 SER H H 1 8.203 0.000 . 1 . . . . . 210 SER H . 51514 1 715 . 1 . 1 92 92 SER HA H 1 4.266 0.000 . 1 . . . . . 210 SER HA . 51514 1 716 . 1 . 1 92 92 SER HB2 H 1 3.694 0.000 . 1 . . . . . 210 SER HB2 . 51514 1 717 . 1 . 1 92 92 SER HB3 H 1 3.694 0.000 . 1 . . . . . 210 SER HB3 . 51514 1 718 . 1 . 1 92 92 SER C C 13 174.658 0.000 . 1 . . . . . 210 SER C . 51514 1 719 . 1 . 1 92 92 SER CA C 13 58.367 0.000 . 1 . . . . . 210 SER CA . 51514 1 720 . 1 . 1 92 92 SER CB C 13 63.791 0.000 . 1 . . . . . 210 SER CB . 51514 1 721 . 1 . 1 92 92 SER N N 15 117.595 0.000 . 1 . . . . . 210 SER N . 51514 1 722 . 1 . 1 93 93 ARG H H 1 8.270 0.000 . 1 . . . . . 211 ARG H . 51514 1 723 . 1 . 1 93 93 ARG HA H 1 4.153 0.000 . 1 . . . . . 211 ARG HA . 51514 1 724 . 1 . 1 93 93 ARG C C 13 176.149 0.000 . 1 . . . . . 211 ARG C . 51514 1 725 . 1 . 1 93 93 ARG CA C 13 56.267 0.000 . 1 . . . . . 211 ARG CA . 51514 1 726 . 1 . 1 93 93 ARG CB C 13 30.568 0.000 . 1 . . . . . 211 ARG CB . 51514 1 727 . 1 . 1 93 93 ARG CG C 13 26.893 0.000 . 1 . . . . . 211 ARG CG . 51514 1 728 . 1 . 1 93 93 ARG CD C 13 43.201 0.000 . 1 . . . . . 211 ARG CD . 51514 1 729 . 1 . 1 93 93 ARG N N 15 123.843 0.000 . 1 . . . . . 211 ARG N . 51514 1 730 . 1 . 1 94 94 ALA H H 1 8.162 0.000 . 1 . . . . . 212 ALA H . 51514 1 731 . 1 . 1 94 94 ALA HA H 1 4.098 0.000 . 1 . . . . . 212 ALA HA . 51514 1 732 . 1 . 1 94 94 ALA HB1 H 1 1.213 0.000 . 1 . . . . . 212 ALA HB1 . 51514 1 733 . 1 . 1 94 94 ALA HB2 H 1 1.213 0.000 . 1 . . . . . 212 ALA HB2 . 51514 1 734 . 1 . 1 94 94 ALA HB3 H 1 1.213 0.000 . 1 . . . . . 212 ALA HB3 . 51514 1 735 . 1 . 1 94 94 ALA C C 13 177.640 0.000 . 1 . . . . . 212 ALA C . 51514 1 736 . 1 . 1 94 94 ALA CA C 13 52.525 0.000 . 1 . . . . . 212 ALA CA . 51514 1 737 . 1 . 1 94 94 ALA CB C 13 18.965 0.000 . 1 . . . . . 212 ALA CB . 51514 1 738 . 1 . 1 94 94 ALA N N 15 125.540 0.000 . 1 . . . . . 212 ALA N . 51514 1 739 . 1 . 1 95 95 ALA H H 1 8.148 0.000 . 1 . . . . . 213 ALA H . 51514 1 740 . 1 . 1 95 95 ALA HA H 1 4.124 0.000 . 1 . . . . . 213 ALA HA . 51514 1 741 . 1 . 1 95 95 ALA HB1 H 1 1.244 0.000 . 1 . . . . . 213 ALA HB1 . 51514 1 742 . 1 . 1 95 95 ALA HB2 H 1 1.244 0.000 . 1 . . . . . 213 ALA HB2 . 51514 1 743 . 1 . 1 95 95 ALA HB3 H 1 1.244 0.000 . 1 . . . . . 213 ALA HB3 . 51514 1 744 . 1 . 1 95 95 ALA C C 13 177.959 0.000 . 1 . . . . . 213 ALA C . 51514 1 745 . 1 . 1 95 95 ALA CA C 13 52.658 0.000 . 1 . . . . . 213 ALA CA . 51514 1 746 . 1 . 1 95 95 ALA CB C 13 18.985 0.000 . 1 . . . . . 213 ALA CB . 51514 1 747 . 1 . 1 95 95 ALA N N 15 123.922 0.000 . 1 . . . . . 213 ALA N . 51514 1 748 . 1 . 1 96 96 SER H H 1 8.110 0.000 . 1 . . . . . 214 SER H . 51514 1 749 . 1 . 1 96 96 SER HA H 1 4.275 0.000 . 1 . . . . . 214 SER HA . 51514 1 750 . 1 . 1 96 96 SER HB2 H 1 3.772 0.000 . 1 . . . . . 214 SER HB2 . 51514 1 751 . 1 . 1 96 96 SER HB3 H 1 3.694 0.000 . 1 . . . . . 214 SER HB3 . 51514 1 752 . 1 . 1 96 96 SER C C 13 174.698 0.000 . 1 . . . . . 214 SER C . 51514 1 753 . 1 . 1 96 96 SER CA C 13 58.408 0.000 . 1 . . . . . 214 SER CA . 51514 1 754 . 1 . 1 96 96 SER CB C 13 63.748 0.000 . 1 . . . . . 214 SER CB . 51514 1 755 . 1 . 1 96 96 SER N N 15 115.188 0.000 . 1 . . . . . 214 SER N . 51514 1 756 . 1 . 1 97 97 SER H H 1 8.140 0.000 . 1 . . . . . 215 SER H . 51514 1 757 . 1 . 1 97 97 SER HA H 1 4.284 0.000 . 1 . . . . . 215 SER HA . 51514 1 758 . 1 . 1 97 97 SER HB2 H 1 3.728 0.000 . 1 . . . . . 215 SER HB2 . 51514 1 759 . 1 . 1 97 97 SER HB3 H 1 3.728 0.000 . 1 . . . . . 215 SER HB3 . 51514 1 760 . 1 . 1 97 97 SER C C 13 174.365 0.000 . 1 . . . . . 215 SER C . 51514 1 761 . 1 . 1 97 97 SER CA C 13 58.408 0.000 . 1 . . . . . 215 SER CA . 51514 1 762 . 1 . 1 97 97 SER CB C 13 63.791 0.000 . 1 . . . . . 215 SER CB . 51514 1 763 . 1 . 1 97 97 SER N N 15 118.158 0.000 . 1 . . . . . 215 SER N . 51514 1 764 . 1 . 1 98 98 GLN H H 1 8.181 0.000 . 1 . . . . . 216 GLN H . 51514 1 765 . 1 . 1 98 98 GLN HA H 1 4.160 0.000 . 1 . . . . . 216 GLN HA . 51514 1 766 . 1 . 1 98 98 GLN C C 13 175.669 0.000 . 1 . . . . . 216 GLN C . 51514 1 767 . 1 . 1 98 98 GLN CA C 13 55.934 0.000 . 1 . . . . . 216 GLN CA . 51514 1 768 . 1 . 1 98 98 GLN CB C 13 29.262 0.000 . 1 . . . . . 216 GLN CB . 51514 1 769 . 1 . 1 98 98 GLN CG C 13 33.586 0.000 . 1 . . . . . 216 GLN CG . 51514 1 770 . 1 . 1 98 98 GLN N N 15 122.580 0.000 . 1 . . . . . 216 GLN N . 51514 1 771 . 1 . 1 99 99 ARG H H 1 8.173 0.000 . 1 . . . . . 217 ARG H . 51514 1 772 . 1 . 1 99 99 ARG HA H 1 4.160 0.000 . 1 . . . . . 217 ARG HA . 51514 1 773 . 1 . 1 99 99 ARG HD2 H 1 3.017 0.000 . 1 . . . . . 217 ARG HD2 . 51514 1 774 . 1 . 1 99 99 ARG HD3 H 1 3.017 0.000 . 1 . . . . . 217 ARG HD3 . 51514 1 775 . 1 . 1 99 99 ARG C C 13 175.869 0.000 . 1 . . . . . 217 ARG C . 51514 1 776 . 1 . 1 99 99 ARG CA C 13 55.913 0.000 . 1 . . . . . 217 ARG CA . 51514 1 777 . 1 . 1 99 99 ARG CB C 13 30.821 0.000 . 1 . . . . . 217 ARG CB . 51514 1 778 . 1 . 1 99 99 ARG CG C 13 26.771 0.000 . 1 . . . . . 217 ARG CG . 51514 1 779 . 1 . 1 99 99 ARG CD C 13 43.079 0.000 . 1 . . . . . 217 ARG CD . 51514 1 780 . 1 . 1 99 99 ARG N N 15 123.068 0.000 . 1 . . . . . 217 ARG N . 51514 1 781 . 1 . 1 100 100 ALA H H 1 8.320 0.000 . 1 . . . . . 218 ALA H . 51514 1 782 . 1 . 1 100 100 ALA HA H 1 4.115 0.000 . 1 . . . . . 218 ALA HA . 51514 1 783 . 1 . 1 100 100 ALA HB1 H 1 1.236 0.000 . 1 . . . . . 218 ALA HB1 . 51514 1 784 . 1 . 1 100 100 ALA HB2 H 1 1.236 0.000 . 1 . . . . . 218 ALA HB2 . 51514 1 785 . 1 . 1 100 100 ALA HB3 H 1 1.236 0.000 . 1 . . . . . 218 ALA HB3 . 51514 1 786 . 1 . 1 100 100 ALA C C 13 177.800 0.000 . 1 . . . . . 218 ALA C . 51514 1 787 . 1 . 1 100 100 ALA CA C 13 52.678 0.000 . 1 . . . . . 218 ALA CA . 51514 1 788 . 1 . 1 100 100 ALA CB C 13 18.995 0.000 . 1 . . . . . 218 ALA CB . 51514 1 789 . 1 . 1 100 100 ALA N N 15 126.718 0.000 . 1 . . . . . 218 ALA N . 51514 1 790 . 1 . 1 101 101 GLU H H 1 8.354 0.000 . 1 . . . . . 219 GLU H . 51514 1 791 . 1 . 1 101 101 GLU HA H 1 4.063 0.000 . 1 . . . . . 219 GLU HA . 51514 1 792 . 1 . 1 101 101 GLU C C 13 176.601 0.000 . 1 . . . . . 219 GLU C . 51514 1 793 . 1 . 1 101 101 GLU CA C 13 56.954 0.000 . 1 . . . . . 219 GLU CA . 51514 1 794 . 1 . 1 101 101 GLU CB C 13 29.777 0.000 . 1 . . . . . 219 GLU CB . 51514 1 795 . 1 . 1 101 101 GLU CG C 13 35.777 0.000 . 1 . . . . . 219 GLU CG . 51514 1 796 . 1 . 1 101 101 GLU N N 15 120.448 0.000 . 1 . . . . . 219 GLU N . 51514 1 797 . 1 . 1 102 102 GLU H H 1 8.223 0.000 . 1 . . . . . 220 GLU H . 51514 1 798 . 1 . 1 102 102 GLU HA H 1 4.115 0.000 . 1 . . . . . 220 GLU HA . 51514 1 799 . 1 . 1 102 102 GLU C C 13 176.402 0.000 . 1 . . . . . 220 GLU C . 51514 1 800 . 1 . 1 102 102 GLU CA C 13 56.534 0.000 . 1 . . . . . 220 GLU CA . 51514 1 801 . 1 . 1 102 102 GLU CB C 13 29.966 0.000 . 1 . . . . . 220 GLU CB . 51514 1 802 . 1 . 1 102 102 GLU CG C 13 35.827 0.000 . 1 . . . . . 220 GLU CG . 51514 1 803 . 1 . 1 102 102 GLU N N 15 121.271 0.000 . 1 . . . . . 220 GLU N . 51514 1 804 . 1 . 1 103 103 GLU H H 1 8.192 0.000 . 1 . . . . . 221 GLU H . 51514 1 805 . 1 . 1 103 103 GLU HA H 1 4.115 0.000 . 1 . . . . . 221 GLU HA . 51514 1 806 . 1 . 1 103 103 GLU C C 13 176.096 0.000 . 1 . . . . . 221 GLU C . 51514 1 807 . 1 . 1 103 103 GLU CA C 13 56.477 0.000 . 1 . . . . . 221 GLU CA . 51514 1 808 . 1 . 1 103 103 GLU CB C 13 30.148 0.000 . 1 . . . . . 221 GLU CB . 51514 1 809 . 1 . 1 103 103 GLU CG C 13 35.920 0.000 . 1 . . . . . 221 GLU CG . 51514 1 810 . 1 . 1 103 103 GLU N N 15 122.068 0.000 . 1 . . . . . 221 GLU N . 51514 1 811 . 1 . 1 104 104 ASP H H 1 8.196 0.000 . 1 . . . . . 222 ASP H . 51514 1 812 . 1 . 1 104 104 ASP C C 13 176.122 0.000 . 1 . . . . . 222 ASP C . 51514 1 813 . 1 . 1 104 104 ASP CA C 13 54.336 0.000 . 1 . . . . . 222 ASP CA . 51514 1 814 . 1 . 1 104 104 ASP CB C 13 41.246 0.000 . 1 . . . . . 222 ASP CB . 51514 1 815 . 1 . 1 104 104 ASP N N 15 122.228 0.000 . 1 . . . . . 222 ASP N . 51514 1 816 . 1 . 1 105 105 ASP HA H 1 4.233 0.000 . 1 . . . . . 223 ASP HA . 51514 1 817 . 1 . 1 105 105 ASP HB2 H 1 2.489 0.000 . 1 . . . . . 223 ASP HB2 . 51514 1 818 . 1 . 1 105 105 ASP HB3 H 1 2.489 0.000 . 1 . . . . . 223 ASP HB3 . 51514 1 819 . 1 . 1 105 105 ASP C C 13 176.348 0.000 . 1 . . . . . 223 ASP C . 51514 1 820 . 1 . 1 105 105 ASP CB C 13 41.079 0.000 . 1 . . . . . 223 ASP CB . 51514 1 821 . 1 . 1 106 106 ASP H H 1 8.233 0.000 . 1 . . . . . 224 ASP H . 51514 1 822 . 1 . 1 106 106 ASP HA H 1 4.558 0.000 . 1 . . . . . 224 ASP HA . 51514 1 823 . 1 . 1 106 106 ASP HB2 H 1 2.511 0.000 . 1 . . . . . 224 ASP HB2 . 51514 1 824 . 1 . 1 106 106 ASP HB3 H 1 2.644 0.000 . 1 . . . . . 224 ASP HB3 . 51514 1 825 . 1 . 1 106 106 ASP C C 13 176.961 0.000 . 1 . . . . . 224 ASP C . 51514 1 826 . 1 . 1 106 106 ASP CA C 13 55.085 0.000 . 1 . . . . . 224 ASP CA . 51514 1 827 . 1 . 1 106 106 ASP CB C 13 40.754 0.000 . 1 . . . . . 224 ASP CB . 51514 1 828 . 1 . 1 106 106 ASP N N 15 121.053 0.000 . 1 . . . . . 224 ASP N . 51514 1 829 . 1 . 1 107 107 ILE H H 1 7.819 0.000 . 1 . . . . . 225 ILE H . 51514 1 830 . 1 . 1 107 107 ILE HA H 1 3.867 0.000 . 1 . . . . . 225 ILE HA . 51514 1 831 . 1 . 1 107 107 ILE HB H 1 1.773 0.000 . 1 . . . . . 225 ILE HB . 51514 1 832 . 1 . 1 107 107 ILE HD11 H 1 0.708 0.000 . 1 . . . . . 225 ILE HD11 . 51514 1 833 . 1 . 1 107 107 ILE HD12 H 1 0.708 0.000 . 1 . . . . . 225 ILE HD12 . 51514 1 834 . 1 . 1 107 107 ILE HD13 H 1 0.708 0.000 . 1 . . . . . 225 ILE HD13 . 51514 1 835 . 1 . 1 107 107 ILE C C 13 177.041 0.000 . 1 . . . . . 225 ILE C . 51514 1 836 . 1 . 1 107 107 ILE CA C 13 61.904 0.000 . 1 . . . . . 225 ILE CA . 51514 1 837 . 1 . 1 107 107 ILE CB C 13 37.950 0.000 . 1 . . . . . 225 ILE CB . 51514 1 838 . 1 . 1 107 107 ILE CG1 C 13 27.380 0.000 . 1 . . . . . 225 ILE CG1 . 51514 1 839 . 1 . 1 107 107 ILE CG2 C 13 17.279 0.000 . 1 . . . . . 225 ILE CG2 . 51514 1 840 . 1 . 1 107 107 ILE CD1 C 13 12.654 0.000 . 1 . . . . . 225 ILE CD1 . 51514 1 841 . 1 . 1 107 107 ILE N N 15 121.194 0.000 . 1 . . . . . 225 ILE N . 51514 1 842 . 1 . 1 108 108 LYS H H 1 8.031 0.000 . 1 . . . . . 226 LYS H . 51514 1 843 . 1 . 1 108 108 LYS C C 13 177.146 0.000 . 1 . . . . . 226 LYS C . 51514 1 844 . 1 . 1 108 108 LYS CA C 13 57.061 0.000 . 1 . . . . . 226 LYS CA . 51514 1 845 . 1 . 1 108 108 LYS CB C 13 32.369 0.000 . 1 . . . . . 226 LYS CB . 51514 1 846 . 1 . 1 108 108 LYS CG C 13 24.459 0.000 . 1 . . . . . 226 LYS CG . 51514 1 847 . 1 . 1 108 108 LYS CD C 13 28.719 0.000 . 1 . . . . . 226 LYS CD . 51514 1 848 . 1 . 1 108 108 LYS N N 15 124.092 0.000 . 1 . . . . . 226 LYS N . 51514 1 849 . 1 . 1 109 109 GLN H H 1 8.005 0.000 . 1 . . . . . 227 GLN H . 51514 1 850 . 1 . 1 109 109 GLN HA H 1 4.070 0.000 . 1 . . . . . 227 GLN HA . 51514 1 851 . 1 . 1 109 109 GLN C C 13 176.198 0.000 . 1 . . . . . 227 GLN C . 51514 1 852 . 1 . 1 109 109 GLN CA C 13 56.068 0.000 . 1 . . . . . 227 GLN CA . 51514 1 853 . 1 . 1 109 109 GLN CB C 13 28.837 0.000 . 1 . . . . . 227 GLN CB . 51514 1 854 . 1 . 1 109 109 GLN CG C 13 33.465 0.000 . 1 . . . . . 227 GLN CG . 51514 1 855 . 1 . 1 109 109 GLN N N 15 120.420 0.000 . 1 . . . . . 227 GLN N . 51514 1 856 . 1 . 1 110 110 LEU H H 1 7.878 0.000 . 1 . . . . . 228 LEU H . 51514 1 857 . 1 . 1 110 110 LEU HA H 1 4.198 0.000 . 1 . . . . . 228 LEU HA . 51514 1 858 . 1 . 1 110 110 LEU HD11 H 1 0.700 0.000 . 1 . . . . . 228 LEU HD11 . 51514 1 859 . 1 . 1 110 110 LEU HD12 H 1 0.700 0.000 . 1 . . . . . 228 LEU HD12 . 51514 1 860 . 1 . 1 110 110 LEU HD13 H 1 0.700 0.000 . 1 . . . . . 228 LEU HD13 . 51514 1 861 . 1 . 1 110 110 LEU HD21 H 1 0.700 0.000 . 1 . . . . . 228 LEU HD21 . 51514 1 862 . 1 . 1 110 110 LEU HD22 H 1 0.700 0.000 . 1 . . . . . 228 LEU HD22 . 51514 1 863 . 1 . 1 110 110 LEU HD23 H 1 0.700 0.000 . 1 . . . . . 228 LEU HD23 . 51514 1 864 . 1 . 1 110 110 LEU C C 13 177.387 0.000 . 1 . . . . . 228 LEU C . 51514 1 865 . 1 . 1 110 110 LEU CA C 13 55.404 0.000 . 1 . . . . . 228 LEU CA . 51514 1 866 . 1 . 1 110 110 LEU CB C 13 42.102 0.000 . 1 . . . . . 228 LEU CB . 51514 1 867 . 1 . 1 110 110 LEU CG C 13 26.597 0.000 . 1 . . . . . 228 LEU CG . 51514 1 868 . 1 . 1 110 110 LEU CD1 C 13 24.581 0.000 . 1 . . . . . 228 LEU CD1 . 51514 1 869 . 1 . 1 110 110 LEU CD2 C 13 23.141 0.000 . 1 . . . . . 228 LEU CD2 . 51514 1 870 . 1 . 1 110 110 LEU N N 15 123.086 0.000 . 1 . . . . . 228 LEU N . 51514 1 871 . 1 . 1 111 111 ALA H H 1 7.938 0.000 . 1 . . . . . 229 ALA H . 51514 1 872 . 1 . 1 111 111 ALA HA H 1 3.991 0.000 . 1 . . . . . 229 ALA HA . 51514 1 873 . 1 . 1 111 111 ALA HB1 H 1 1.055 0.000 . 1 . . . . . 229 ALA HB1 . 51514 1 874 . 1 . 1 111 111 ALA HB2 H 1 1.055 0.000 . 1 . . . . . 229 ALA HB2 . 51514 1 875 . 1 . 1 111 111 ALA HB3 H 1 1.055 0.000 . 1 . . . . . 229 ALA HB3 . 51514 1 876 . 1 . 1 111 111 ALA C C 13 177.377 0.000 . 1 . . . . . 229 ALA C . 51514 1 877 . 1 . 1 111 111 ALA CA C 13 52.520 0.000 . 1 . . . . . 229 ALA CA . 51514 1 878 . 1 . 1 111 111 ALA CB C 13 18.740 0.000 . 1 . . . . . 229 ALA CB . 51514 1 879 . 1 . 1 111 111 ALA N N 15 124.629 0.000 . 1 . . . . . 229 ALA N . 51514 1 880 . 1 . 1 112 112 ALA H H 1 7.875 0.000 . 1 . . . . . 230 ALA H . 51514 1 881 . 1 . 1 112 112 ALA HA H 1 4.000 0.000 . 1 . . . . . 230 ALA HA . 51514 1 882 . 1 . 1 112 112 ALA HB1 H 1 1.108 0.000 . 1 . . . . . 230 ALA HB1 . 51514 1 883 . 1 . 1 112 112 ALA HB2 H 1 1.108 0.000 . 1 . . . . . 230 ALA HB2 . 51514 1 884 . 1 . 1 112 112 ALA HB3 H 1 1.108 0.000 . 1 . . . . . 230 ALA HB3 . 51514 1 885 . 1 . 1 112 112 ALA C C 13 177.417 0.000 . 1 . . . . . 230 ALA C . 51514 1 886 . 1 . 1 112 112 ALA CA C 13 52.754 0.000 . 1 . . . . . 230 ALA CA . 51514 1 887 . 1 . 1 112 112 ALA CB C 13 18.724 0.000 . 1 . . . . . 230 ALA CB . 51514 1 888 . 1 . 1 112 112 ALA N N 15 123.084 0.000 . 1 . . . . . 230 ALA N . 51514 1 889 . 1 . 1 113 113 TRP H H 1 7.620 0.000 . 1 . . . . . 231 TRP H . 51514 1 890 . 1 . 1 113 113 TRP HB2 H 1 3.125 0.000 . 1 . . . . . 231 TRP HB2 . 51514 1 891 . 1 . 1 113 113 TRP HB3 H 1 3.125 0.000 . 1 . . . . . 231 TRP HB3 . 51514 1 892 . 1 . 1 113 113 TRP C C 13 175.656 0.000 . 1 . . . . . 231 TRP C . 51514 1 893 . 1 . 1 113 113 TRP CA C 13 56.675 0.000 . 1 . . . . . 231 TRP CA . 51514 1 894 . 1 . 1 113 113 TRP CB C 13 29.303 0.000 . 1 . . . . . 231 TRP CB . 51514 1 895 . 1 . 1 113 113 TRP N N 15 119.361 0.000 . 1 . . . . . 231 TRP N . 51514 1 896 . 1 . 1 114 114 ALA H H 1 7.754 0.000 . 1 . . . . . 232 ALA H . 51514 1 897 . 1 . 1 114 114 ALA HA H 1 4.186 0.000 . 1 . . . . . 232 ALA HA . 51514 1 898 . 1 . 1 114 114 ALA HB1 H 1 1.111 0.000 . 1 . . . . . 232 ALA HB1 . 51514 1 899 . 1 . 1 114 114 ALA HB2 H 1 1.111 0.000 . 1 . . . . . 232 ALA HB2 . 51514 1 900 . 1 . 1 114 114 ALA HB3 H 1 1.111 0.000 . 1 . . . . . 232 ALA HB3 . 51514 1 901 . 1 . 1 114 114 ALA C C 13 176.628 0.000 . 1 . . . . . 232 ALA C . 51514 1 902 . 1 . 1 114 114 ALA CA C 13 52.363 0.000 . 1 . . . . . 232 ALA CA . 51514 1 903 . 1 . 1 114 114 ALA CB C 13 19.116 0.000 . 1 . . . . . 232 ALA CB . 51514 1 904 . 1 . 1 114 114 ALA N N 15 126.398 0.000 . 1 . . . . . 232 ALA N . 51514 1 905 . 1 . 1 115 115 THR H H 1 7.525 0.000 . 1 . . . . . 233 THR H . 51514 1 906 . 1 . 1 115 115 THR C C 13 179.158 0.000 . 1 . . . . . 233 THR C . 51514 1 907 . 1 . 1 115 115 THR CA C 13 63.056 0.000 . 1 . . . . . 233 THR CA . 51514 1 908 . 1 . 1 115 115 THR CB C 13 70.748 0.000 . 1 . . . . . 233 THR CB . 51514 1 909 . 1 . 1 115 115 THR N N 15 119.295 0.000 . 1 . . . . . 233 THR N . 51514 1 stop_ save_ ######################## # Coupling constants # ######################## save_coupling_constant_list_1 _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode coupling_constant_list_1 _Coupling_constant_list.Entry_ID 51514 _Coupling_constant_list.ID 1 _Coupling_constant_list.Name . _Coupling_constant_list.Sample_condition_list_ID 1 _Coupling_constant_list.Sample_condition_list_label $sample_conditions_1 _Coupling_constant_list.Spectrometer_frequency_1H 800 _Coupling_constant_list.Details . _Coupling_constant_list.Text_data_format . _Coupling_constant_list.Text_data . loop_ _Coupling_constant_experiment.Experiment_ID _Coupling_constant_experiment.Experiment_name _Coupling_constant_experiment.Sample_ID _Coupling_constant_experiment.Sample_label _Coupling_constant_experiment.Sample_state _Coupling_constant_experiment.Entry_ID _Coupling_constant_experiment.Coupling_constant_list_ID 1 '2D 1H-15N HSQC' . . . 51514 1 stop_ loop_ _Coupling_constant.ID _Coupling_constant.Code _Coupling_constant.Assembly_atom_ID_1 _Coupling_constant.Entity_assembly_ID_1 _Coupling_constant.Entity_ID_1 _Coupling_constant.Comp_index_ID_1 _Coupling_constant.Seq_ID_1 _Coupling_constant.Comp_ID_1 _Coupling_constant.Atom_ID_1 _Coupling_constant.Atom_type_1 _Coupling_constant.Atom_isotope_number_1 _Coupling_constant.Ambiguity_code_1 _Coupling_constant.Assembly_atom_ID_2 _Coupling_constant.Entity_assembly_ID_2 _Coupling_constant.Entity_ID_2 _Coupling_constant.Comp_index_ID_2 _Coupling_constant.Seq_ID_2 _Coupling_constant.Comp_ID_2 _Coupling_constant.Atom_ID_2 _Coupling_constant.Atom_type_2 _Coupling_constant.Atom_isotope_number_2 _Coupling_constant.Ambiguity_code_2 _Coupling_constant.Val _Coupling_constant.Val_min _Coupling_constant.Val_max _Coupling_constant.Val_err _Coupling_constant.Resonance_ID_1 _Coupling_constant.Resonance_ID_2 _Coupling_constant.Auth_entity_assembly_ID_1 _Coupling_constant.Auth_asym_ID_1 _Coupling_constant.Auth_seq_ID_1 _Coupling_constant.Auth_comp_ID_1 _Coupling_constant.Auth_atom_ID_1 _Coupling_constant.Auth_entity_assembly_ID_2 _Coupling_constant.Auth_asym_ID_2 _Coupling_constant.Auth_seq_ID_2 _Coupling_constant.Auth_comp_ID_2 _Coupling_constant.Auth_atom_ID_2 _Coupling_constant.Details _Coupling_constant.Entry_ID _Coupling_constant.Coupling_constant_list_ID 1 3JHNHA . 1 1 3 3 GLU H H 1 1 . 1 1 3 3 GLU HA H 1 1 6.138 . . . . . . . 121 GLU H . . 121 GLU HA . 51514 1 2 3JHNHA . 1 1 4 4 ASN H H 1 1 . 1 1 4 4 ASN HA H 1 1 7.426 . . . . . . . 122 ASN H . . 122 ASN HA . 51514 1 3 3JHNHA . 1 1 5 5 MET H H 1 1 . 1 1 5 5 MET HA H 1 1 7.426 . . . . . . . 123 MET H . . 123 MET HA . 51514 1 4 3JHNHA . 1 1 6 6 ASP H H 1 1 . 1 1 6 6 ASP HA H 1 1 7.258 . . . . . . . 124 ASP H . . 124 ASP HA . 51514 1 5 3JHNHA . 1 1 7 7 LEU H H 1 1 . 1 1 7 7 LEU HA H 1 1 7.178 . . . . . . . 125 LEU H . . 125 LEU HA . 51514 1 6 3JHNHA . 1 1 8 8 ASN H H 1 1 . 1 1 8 8 ASN HA H 1 1 7.554 . . . . . . . 126 ASN H . . 126 ASN HA . 51514 1 7 3JHNHA . 1 1 9 9 LYS H H 1 1 . 1 1 9 9 LYS HA H 1 1 7.346 . . . . . . . 127 LYS H . . 127 LYS HA . 51514 1 8 3JHNHA . 1 1 10 10 ILE H H 1 1 . 1 1 10 10 ILE HA H 1 1 7.634 . . . . . . . 128 ILE H . . 128 ILE HA . 51514 1 9 3JHNHA . 1 1 11 11 ASP H H 1 1 . 1 1 11 11 ASP HA H 1 1 7.010 . . . . . . . 129 ASP H . . 129 ASP HA . 51514 1 10 3JHNHA . 1 1 12 12 ASP H H 1 1 . 1 1 12 12 ASP HA H 1 1 7.178 . . . . . . . 130 ASP H . . 130 ASP HA . 51514 1 11 3JHNHA . 1 1 13 13 LEU H H 1 1 . 1 1 13 13 LEU HA H 1 1 7.306 . . . . . . . 131 LEU H . . 131 LEU HA . 51514 1 12 3JHNHA . 1 1 14 14 MET H H 1 1 . 1 1 14 14 MET HA H 1 1 7.258 . . . . . . . 132 MET H . . 132 MET HA . 51514 1 13 3JHNHA . 1 1 15 15 GLN H H 1 1 . 1 1 15 15 GLN HA H 1 1 7.258 . . . . . . . 133 GLN H . . 133 GLN HA . 51514 1 14 3JHNHA . 1 1 16 16 GLU H H 1 1 . 1 1 16 16 GLU HA H 1 1 6.930 . . . . . . . 134 GLU H . . 134 GLU HA . 51514 1 15 3JHNHA . 1 1 17 17 ILE H H 1 1 . 1 1 17 17 ILE HA H 1 1 7.594 . . . . . . . 135 ILE H . . 135 ILE HA . 51514 1 16 3JHNHA . 1 1 18 18 THR H H 1 1 . 1 1 18 18 THR HA H 1 1 7.842 . . . . . . . 136 THR H . . 136 THR HA . 51514 1 17 3JHNHA . 1 1 19 19 GLU H H 1 1 . 1 1 19 19 GLU HA H 1 1 6.890 . . . . . . . 137 GLU H . . 137 GLU HA . 51514 1 18 3JHNHA . 1 1 20 20 GLN H H 1 1 . 1 1 20 20 GLN HA H 1 1 7.178 . . . . . . . 138 GLN H . . 138 GLN HA . 51514 1 19 3JHNHA . 1 1 21 21 GLN H H 1 1 . 1 1 21 21 GLN HA H 1 1 7.258 . . . . . . . 139 GLN H . . 139 GLN HA . 51514 1 20 3JHNHA . 1 1 22 22 ASP H H 1 1 . 1 1 22 22 ASP HA H 1 1 7.218 . . . . . . . 140 ASP H . . 140 ASP HA . 51514 1 21 3JHNHA . 1 1 23 23 ILE H H 1 1 . 1 1 23 23 ILE HA H 1 1 7.386 . . . . . . . 141 ILE H . . 141 ILE HA . 51514 1 22 3JHNHA . 1 1 24 24 ALA H H 1 1 . 1 1 24 24 ALA HA H 1 1 6.010 . . . . . . . 142 ALA H . . 142 ALA HA . 51514 1 23 3JHNHA . 1 1 25 25 GLN H H 1 1 . 1 1 25 25 GLN HA H 1 1 6.970 . . . . . . . 143 GLN H . . 143 GLN HA . 51514 1 24 3JHNHA . 1 1 26 26 GLU H H 1 1 . 1 1 26 26 GLU HA H 1 1 6.842 . . . . . . . 144 GLU H . . 144 GLU HA . 51514 1 25 3JHNHA . 1 1 27 27 ILE H H 1 1 . 1 1 27 27 ILE HA H 1 1 6.970 . . . . . . . 145 ILE H . . 145 ILE HA . 51514 1 26 3JHNHA . 1 1 28 28 SER H H 1 1 . 1 1 28 28 SER HA H 1 1 6.970 . . . . . . . 146 SER H . . 146 SER HA . 51514 1 27 3JHNHA . 1 1 29 29 GLU H H 1 1 . 1 1 29 29 GLU HA H 1 1 6.426 . . . . . . . 147 GLU H . . 147 GLU HA . 51514 1 28 3JHNHA . 1 1 30 30 ALA H H 1 1 . 1 1 30 30 ALA HA H 1 1 5.762 . . . . . . . 148 ALA H . . 148 ALA HA . 51514 1 29 3JHNHA . 1 1 31 31 PHE H H 1 1 . 1 1 31 31 PHE HA H 1 1 7.138 . . . . . . . 149 PHE H . . 149 PHE HA . 51514 1 30 3JHNHA . 1 1 32 32 SER H H 1 1 . 1 1 32 32 SER HA H 1 1 6.762 . . . . . . . 150 SER H . . 150 SER HA . 51514 1 31 3JHNHA . 1 1 33 33 GLN H H 1 1 . 1 1 33 33 GLN HA H 1 1 7.178 . . . . . . . 151 GLN H . . 151 GLN HA . 51514 1 32 3JHNHA . 1 1 34 34 ARG H H 1 1 . 1 1 34 34 ARG HA H 1 1 7.514 . . . . . . . 152 ARG H . . 152 ARG HA . 51514 1 33 3JHNHA . 1 1 35 35 VAL H H 1 1 . 1 1 35 35 VAL HA H 1 1 7.722 . . . . . . . 153 VAL H . . 153 VAL HA . 51514 1 34 3JHNHA . 1 1 37 37 PHE H H 1 1 . 1 1 37 37 PHE HA H 1 1 7.554 . . . . . . . 155 PHE H . . 155 PHE HA . 51514 1 35 3JHNHA . 1 1 39 39 ASP H H 1 1 . 1 1 39 39 ASP HA H 1 1 7.218 . . . . . . . 157 ASP H . . 157 ASP HA . 51514 1 36 3JHNHA . 1 1 40 40 ASP H H 1 1 . 1 1 40 40 ASP HA H 1 1 7.426 . . . . . . . 158 ASP H . . 158 ASP HA . 51514 1 37 3JHNHA . 1 1 41 41 PHE H H 1 1 . 1 1 41 41 PHE HA H 1 1 7.258 . . . . . . . 159 PHE H . . 159 PHE HA . 51514 1 38 3JHNHA . 1 1 42 42 ASP H H 1 1 . 1 1 42 42 ASP HA H 1 1 7.258 . . . . . . . 160 ASP H . . 160 ASP HA . 51514 1 39 3JHNHA . 1 1 43 43 GLU H H 1 1 . 1 1 43 43 GLU HA H 1 1 5.306 . . . . . . . 161 GLU H . . 161 GLU HA . 51514 1 40 3JHNHA . 1 1 44 44 ASP H H 1 1 . 1 1 44 44 ASP HA H 1 1 7.050 . . . . . . . 162 ASP H . . 162 ASP HA . 51514 1 41 3JHNHA . 1 1 45 45 GLU H H 1 1 . 1 1 45 45 GLU HA H 1 1 5.642 . . . . . . . 163 GLU H . . 163 GLU HA . 51514 1 42 3JHNHA . 1 1 46 46 LEU H H 1 1 . 1 1 46 46 LEU HA H 1 1 5.554 . . . . . . . 164 LEU H . . 164 LEU HA . 51514 1 43 3JHNHA . 1 1 47 47 MET H H 1 1 . 1 1 47 47 MET HA H 1 1 6.474 . . . . . . . 165 MET H . . 165 MET HA . 51514 1 44 3JHNHA . 1 1 49 49 GLU H H 1 1 . 1 1 49 49 GLU HA H 1 1 5.346 . . . . . . . 167 GLU H . . 167 GLU HA . 51514 1 45 3JHNHA . 1 1 51 51 GLU H H 1 1 . 1 1 51 51 GLU HA H 1 1 4.185 . . . . . . . 169 GLU H . . 169 GLU HA . 51514 1 46 3JHNHA . 1 1 52 52 GLU H H 1 1 . 1 1 52 52 GLU HA H 1 1 4.265 . . . . . . . 170 GLU H . . 170 GLU HA . 51514 1 47 3JHNHA . 1 1 53 53 LEU H H 1 1 . 1 1 53 53 LEU HA H 1 1 3.929 . . . . . . . 171 LEU H . . 171 LEU HA . 51514 1 48 3JHNHA . 1 1 54 54 GLU H H 1 1 . 1 1 54 54 GLU HA H 1 1 4.969 . . . . . . . 172 GLU H . . 172 GLU HA . 51514 1 49 3JHNHA . 1 1 55 55 GLN H H 1 1 . 1 1 55 55 GLN HA H 1 1 4.137 . . . . . . . 173 GLN H . . 173 GLN HA . 51514 1 50 3JHNHA . 1 1 56 56 GLU H H 1 1 . 1 1 56 56 GLU HA H 1 1 3.513 . . . . . . . 174 GLU H . . 174 GLU HA . 51514 1 51 3JHNHA . 1 1 57 57 GLU H H 1 1 . 1 1 57 57 GLU HA H 1 1 4.889 . . . . . . . 175 GLU H . . 175 GLU HA . 51514 1 52 3JHNHA . 1 1 58 58 LEU H H 1 1 . 1 1 58 58 LEU HA H 1 1 3.977 . . . . . . . 176 LEU H . . 176 LEU HA . 51514 1 53 3JHNHA . 1 1 59 59 ASN H H 1 1 . 1 1 59 59 ASN HA H 1 1 5.386 . . . . . . . 177 ASN H . . 177 ASN HA . 51514 1 54 3JHNHA . 1 1 60 60 LYS H H 1 1 . 1 1 60 60 LYS HA H 1 1 5.306 . . . . . . . 178 LYS H . . 178 LYS HA . 51514 1 55 3JHNHA . 1 1 61 61 LYS H H 1 1 . 1 1 61 61 LYS HA H 1 1 5.890 . . . . . . . 179 LYS H . . 179 LYS HA . 51514 1 56 3JHNHA . 1 1 62 62 MET H H 1 1 . 1 1 62 62 MET HA H 1 1 6.098 . . . . . . . 180 MET H . . 180 MET HA . 51514 1 57 3JHNHA . 1 1 63 63 THR H H 1 1 . 1 1 63 63 THR HA H 1 1 7.050 . . . . . . . 181 THR H . . 181 THR HA . 51514 1 58 3JHNHA . 1 1 64 64 ASN H H 1 1 . 1 1 64 64 ASN HA H 1 1 6.594 . . . . . . . 182 ASN H . . 182 ASN HA . 51514 1 59 3JHNHA . 1 1 65 65 ILE H H 1 1 . 1 1 65 65 ILE HA H 1 1 7.554 . . . . . . . 183 ILE H . . 183 ILE HA . 51514 1 60 3JHNHA . 1 1 66 66 ARG H H 1 1 . 1 1 66 66 ARG HA H 1 1 8.090 . . . . . . . 184 ARG H . . 184 ARG HA . 51514 1 61 3JHNHA . 1 1 67 67 LEU H H 1 1 . 1 1 67 67 LEU HA H 1 1 7.218 . . . . . . . 185 LEU H . . 185 LEU HA . 51514 1 62 3JHNHA . 1 1 69 69 ASN H H 1 1 . 1 1 69 69 ASN HA H 1 1 7.138 . . . . . . . 187 ASN H . . 187 ASN HA . 51514 1 63 3JHNHA . 1 1 70 70 VAL H H 1 1 . 1 1 70 70 VAL HA H 1 1 7.970 . . . . . . . 188 VAL H . . 188 VAL HA . 51514 1 64 3JHNHA . 1 1 72 72 SER H H 1 1 . 1 1 72 72 SER HA H 1 1 6.031 . . . . . . . 190 SER H . . 190 SER HA . 51514 1 65 3JHNHA . 1 1 74 74 SER H H 1 1 . 1 1 74 74 SER HA H 1 1 6.542 . . . . . . . 192 SER H . . 192 SER HA . 51514 1 66 3JHNHA . 1 1 75 75 LEU H H 1 1 . 1 1 75 75 LEU HA H 1 1 7.218 . . . . . . . 193 LEU H . . 193 LEU HA . 51514 1 67 3JHNHA . 1 1 77 77 ALA H H 1 1 . 1 1 77 77 ALA HA H 1 1 6.050 . . . . . . . 195 ALA H . . 195 ALA HA . 51514 1 68 3JHNHA . 1 1 78 78 GLN H H 1 1 . 1 1 78 78 GLN HA H 1 1 7.178 . . . . . . . 196 GLN H . . 196 GLN HA . 51514 1 69 3JHNHA . 1 1 80 80 ASN H H 1 1 . 1 1 80 80 ASN HA H 1 1 6.858 . . . . . . . 198 ASN H . . 198 ASN HA . 51514 1 70 3JHNHA . 1 1 81 81 ARG H H 1 1 . 1 1 81 81 ARG HA H 1 1 6.570 . . . . . . . 199 ARG H . . 199 ARG HA . 51514 1 71 3JHNHA . 1 1 82 82 LYS H H 1 1 . 1 1 82 82 LYS HA H 1 1 6.978 . . . . . . . 200 LYS H . . 200 LYS HA . 51514 1 72 3JHNHA . 1 1 85 85 MET H H 1 1 . 1 1 85 85 MET HA H 1 1 5.033 . . . . . . . 203 MET H . . 203 MET HA . 51514 1 73 3JHNHA . 1 1 86 86 SER H H 1 1 . 1 1 86 86 SER HA H 1 1 4.553 . . . . . . . 204 SER H . . 204 SER HA . 51514 1 74 3JHNHA . 1 1 87 87 SER H H 1 1 . 1 1 87 87 SER HA H 1 1 6.330 . . . . . . . 205 SER H . . 205 SER HA . 51514 1 75 3JHNHA . 1 1 88 88 THR H H 1 1 . 1 1 88 88 THR HA H 1 1 6.050 . . . . . . . 206 THR H . . 206 THR HA . 51514 1 76 3JHNHA . 1 1 89 89 ALA H H 1 1 . 1 1 89 89 ALA HA H 1 1 4.553 . . . . . . . 207 ALA H . . 207 ALA HA . 51514 1 77 3JHNHA . 1 1 90 90 ARG H H 1 1 . 1 1 90 90 ARG HA H 1 1 6.170 . . . . . . . 208 ARG H . . 208 ARG HA . 51514 1 78 3JHNHA . 1 1 91 91 ARG H H 1 1 . 1 1 91 91 ARG HA H 1 1 5.930 . . . . . . . 209 ARG H . . 209 ARG HA . 51514 1 79 3JHNHA . 1 1 92 92 SER H H 1 1 . 1 1 92 92 SER HA H 1 1 5.202 . . . . . . . 210 SER H . . 210 SER HA . 51514 1 80 3JHNHA . 1 1 93 93 ARG H H 1 1 . 1 1 93 93 ARG HA H 1 1 4.385 . . . . . . . 211 ARG H . . 211 ARG HA . 51514 1 81 3JHNHA . 1 1 94 94 ALA H H 1 1 . 1 1 94 94 ALA HA H 1 1 6.570 . . . . . . . 212 ALA H . . 212 ALA HA . 51514 1 82 3JHNHA . 1 1 95 95 ALA H H 1 1 . 1 1 95 95 ALA HA H 1 1 4.873 . . . . . . . 213 ALA H . . 213 ALA HA . 51514 1 83 3JHNHA . 1 1 96 96 SER H H 1 1 . 1 1 96 96 SER HA H 1 1 6.050 . . . . . . . 214 SER H . . 214 SER HA . 51514 1 84 3JHNHA . 1 1 97 97 SER H H 1 1 . 1 1 97 97 SER HA H 1 1 5.762 . . . . . . . 215 SER H . . 215 SER HA . 51514 1 85 3JHNHA . 1 1 98 98 GLN H H 1 1 . 1 1 98 98 GLN HA H 1 1 6.938 . . . . . . . 216 GLN H . . 216 GLN HA . 51514 1 86 3JHNHA . 1 1 99 99 ARG H H 1 1 . 1 1 99 99 ARG HA H 1 1 7.058 . . . . . . . 217 ARG H . . 217 ARG HA . 51514 1 87 3JHNHA . 1 1 100 100 ALA H H 1 1 . 1 1 100 100 ALA HA H 1 1 6.050 . . . . . . . 218 ALA H . . 218 ALA HA . 51514 1 88 3JHNHA . 1 1 101 101 GLU H H 1 1 . 1 1 101 101 GLU HA H 1 1 6.530 . . . . . . . 219 GLU H . . 219 GLU HA . 51514 1 89 3JHNHA . 1 1 102 102 GLU H H 1 1 . 1 1 102 102 GLU HA H 1 1 7.058 . . . . . . . 220 GLU H . . 220 GLU HA . 51514 1 90 3JHNHA . 1 1 103 103 GLU H H 1 1 . 1 1 103 103 GLU HA H 1 1 7.138 . . . . . . . 221 GLU H . . 221 GLU HA . 51514 1 91 3JHNHA . 1 1 104 104 ASP H H 1 1 . 1 1 104 104 ASP HA H 1 1 7.178 . . . . . . . 222 ASP H . . 222 ASP HA . 51514 1 92 3JHNHA . 1 1 106 106 ASP H H 1 1 . 1 1 106 106 ASP HA H 1 1 6.898 . . . . . . . 224 ASP H . . 224 ASP HA . 51514 1 93 3JHNHA . 1 1 107 107 ILE H H 1 1 . 1 1 107 107 ILE HA H 1 1 7.138 . . . . . . . 225 ILE H . . 225 ILE HA . 51514 1 94 3JHNHA . 1 1 108 108 LYS H H 1 1 . 1 1 108 108 LYS HA H 1 1 6.738 . . . . . . . 226 LYS H . . 226 LYS HA . 51514 1 95 3JHNHA . 1 1 109 109 GLN H H 1 1 . 1 1 109 109 GLN HA H 1 1 6.938 . . . . . . . 227 GLN H . . 227 GLN HA . 51514 1 96 3JHNHA . 1 1 110 110 LEU H H 1 1 . 1 1 110 110 LEU HA H 1 1 7.258 . . . . . . . 228 LEU H . . 228 LEU HA . 51514 1 97 3JHNHA . 1 1 112 112 ALA H H 1 1 . 1 1 112 112 ALA HA H 1 1 6.858 . . . . . . . 230 ALA H . . 230 ALA HA . 51514 1 98 3JHNHA . 1 1 113 113 TRP H H 1 1 . 1 1 113 113 TRP HA H 1 1 7.426 . . . . . . . 231 TRP H . . 231 TRP HA . 51514 1 99 3JHNHA . 1 1 114 114 ALA H H 1 1 . 1 1 114 114 ALA HA H 1 1 7.098 . . . . . . . 232 ALA H . . 232 ALA HA . 51514 1 100 3JHNHA . 1 1 115 115 THR H H 1 1 . 1 1 115 115 THR HA H 1 1 8.106 . . . . . . . 233 THR H . . 233 THR HA . 51514 1 stop_ save_ ######################################## # Heteronuclear T1 relaxation values # ######################################## save_heteronucl_T1_relaxation_1 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode heteronucl_T1_relaxation_1 _Heteronucl_T1_list.Entry_ID 51514 _Heteronucl_T1_list.ID 1 _Heteronucl_T1_list.Name . _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 800 _Heteronucl_T1_list.T1_coherence_type Sz _Heteronucl_T1_list.T1_val_units s _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 1 '2D 1H-15N HSQC' . . . 51514 1 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 3 3 GLU N N 15 1.1101 0.0360 . . 121 GLU N 51514 1 2 . 1 1 4 4 ASN N N 15 0.9715 0.0271 . . 122 ASN N 51514 1 3 . 1 1 5 5 MET N N 15 0.8973 0.0201 . . 123 MET N 51514 1 4 . 1 1 6 6 ASP N N 15 0.7394 0.0086 . . 124 ASP N 51514 1 5 . 1 1 7 7 LEU N N 15 0.7707 0.0048 . . 125 LEU N 51514 1 6 . 1 1 8 8 ASN N N 15 0.7383 0.0090 . . 126 ASN N 51514 1 7 . 1 1 9 9 LYS N N 15 0.7474 0.0087 . . 127 LYS N 51514 1 8 . 1 1 10 10 ILE N N 15 0.7409 0.0029 . . 128 ILE N 51514 1 9 . 1 1 11 11 ASP N N 15 0.6916 0.0049 . . 129 ASP N 51514 1 10 . 1 1 12 12 ASP N N 15 0.7300 0.0029 . . 130 ASP N 51514 1 11 . 1 1 13 13 LEU N N 15 0.7200 0.0017 . . 131 LEU N 51514 1 12 . 1 1 14 14 MET N N 15 0.7098 0.0033 . . 132 MET N 51514 1 13 . 1 1 15 15 GLN N N 15 0.7546 0.0045 . . 133 GLN N 51514 1 14 . 1 1 16 16 GLU N N 15 0.7386 0.0047 . . 134 GLU N 51514 1 15 . 1 1 17 17 ILE N N 15 0.7515 0.0020 . . 135 ILE N 51514 1 16 . 1 1 18 18 THR N N 15 0.7450 0.0049 . . 136 THR N 51514 1 17 . 1 1 19 19 GLU N N 15 0.7382 0.0054 . . 137 GLU N 51514 1 18 . 1 1 20 20 GLN N N 15 0.7572 0.0059 . . 138 GLN N 51514 1 19 . 1 1 21 21 GLN N N 15 0.7827 0.0086 . . 139 GLN N 51514 1 20 . 1 1 22 22 ASP N N 15 0.7694 0.0074 . . 140 ASP N 51514 1 21 . 1 1 23 23 ILE N N 15 0.8131 0.0009 . . 141 ILE N 51514 1 22 . 1 1 24 24 ALA N N 15 0.7509 0.0023 . . 142 ALA N 51514 1 23 . 1 1 25 25 GLN N N 15 0.8109 0.0034 . . 143 GLN N 51514 1 24 . 1 1 26 26 GLU N N 15 0.7582 0.0047 . . 144 GLU N 51514 1 25 . 1 1 27 27 ILE N N 15 0.7224 0.0070 . . 145 ILE N 51514 1 26 . 1 1 28 28 SER N N 15 0.7465 0.0090 . . 146 SER N 51514 1 27 . 1 1 29 29 GLU N N 15 0.7239 0.0103 . . 147 GLU N 51514 1 28 . 1 1 30 30 ALA N N 15 0.7294 0.0079 . . 148 ALA N 51514 1 29 . 1 1 31 31 PHE N N 15 0.7333 0.0093 . . 149 PHE N 51514 1 30 . 1 1 32 32 SER N N 15 0.7333 0.0147 . . 150 SER N 51514 1 31 . 1 1 33 33 GLN N N 15 0.7230 0.0076 . . 151 GLN N 51514 1 32 . 1 1 34 34 ARG N N 15 0.7521 0.0028 . . 152 ARG N 51514 1 33 . 1 1 35 35 VAL N N 15 0.7112 0.0051 . . 153 VAL N 51514 1 34 . 1 1 36 36 GLY N N 15 0.7025 0.0088 . . 154 GLY N 51514 1 35 . 1 1 37 37 PHE N N 15 0.6926 0.0068 . . 155 PHE N 51514 1 36 . 1 1 38 38 GLY N N 15 0.7341 0.0104 . . 156 GLY N 51514 1 37 . 1 1 39 39 ASP N N 15 0.7139 0.0062 . . 157 ASP N 51514 1 38 . 1 1 40 40 ASP N N 15 0.7146 0.0048 . . 158 ASP N 51514 1 39 . 1 1 41 41 PHE N N 15 0.6925 0.0084 . . 159 PHE N 51514 1 40 . 1 1 42 42 ASP N N 15 0.6797 0.0067 . . 160 ASP N 51514 1 41 . 1 1 43 43 GLU N N 15 0.7017 0.0032 . . 161 GLU N 51514 1 42 . 1 1 44 44 ASP N N 15 0.6860 0.0050 . . 162 ASP N 51514 1 43 . 1 1 45 45 GLU N N 15 0.7020 0.0036 . . 163 GLU N 51514 1 44 . 1 1 46 46 LEU N N 15 0.6932 0.0015 . . 164 LEU N 51514 1 45 . 1 1 47 47 MET N N 15 0.7209 0.0056 . . 165 MET N 51514 1 46 . 1 1 49 49 GLU N N 15 0.7377 0.0028 . . 167 GLU N 51514 1 47 . 1 1 51 51 GLU N N 15 0.7034 0.0018 . . 169 GLU N 51514 1 48 . 1 1 52 52 GLU N N 15 0.6995 0.0021 . . 170 GLU N 51514 1 49 . 1 1 53 53 LEU N N 15 0.7001 0.0021 . . 171 LEU N 51514 1 50 . 1 1 54 54 GLU N N 15 0.6792 0.0013 . . 172 GLU N 51514 1 51 . 1 1 55 55 GLN N N 15 0.6755 0.0033 . . 173 GLN N 51514 1 52 . 1 1 56 56 GLU N N 15 0.6655 0.0032 . . 174 GLU N 51514 1 53 . 1 1 57 57 GLU N N 15 0.6579 0.0025 . . 175 GLU N 51514 1 54 . 1 1 58 58 LEU N N 15 0.6528 0.0032 . . 176 LEU N 51514 1 55 . 1 1 59 59 ASN N N 15 0.6726 0.0047 . . 177 ASN N 51514 1 56 . 1 1 60 60 LYS N N 15 0.6520 0.0060 . . 178 LYS N 51514 1 57 . 1 1 61 61 LYS N N 15 0.6825 0.0063 . . 179 LYS N 51514 1 58 . 1 1 62 62 MET N N 15 0.6597 0.0103 . . 180 MET N 51514 1 59 . 1 1 63 63 THR N N 15 0.6958 0.0132 . . 181 THR N 51514 1 60 . 1 1 64 64 ASN N N 15 0.6831 0.0062 . . 182 ASN N 51514 1 61 . 1 1 65 65 ILE N N 15 0.6798 0.0045 . . 183 ILE N 51514 1 62 . 1 1 66 66 ARG N N 15 0.6758 0.0086 . . 184 ARG N 51514 1 63 . 1 1 67 67 LEU N N 15 0.7030 0.0035 . . 185 LEU N 51514 1 64 . 1 1 69 69 ASN N N 15 0.7272 0.0141 . . 187 ASN N 51514 1 65 . 1 1 70 70 VAL N N 15 0.7491 0.0052 . . 188 VAL N 51514 1 66 . 1 1 72 72 SER N N 15 0.7640 0.0166 . . 190 SER N 51514 1 67 . 1 1 74 74 SER N N 15 0.7972 0.0169 . . 192 SER N 51514 1 68 . 1 1 75 75 LEU N N 15 0.7597 0.0084 . . 193 LEU N 51514 1 69 . 1 1 77 77 ALA N N 15 0.7531 0.0074 . . 195 ALA N 51514 1 70 . 1 1 78 78 GLN N N 15 0.7786 0.0116 . . 196 GLN N 51514 1 71 . 1 1 80 80 ASN N N 15 0.7123 0.0149 . . 198 ASN N 51514 1 72 . 1 1 81 81 ARG N N 15 0.6990 0.0162 . . 199 ARG N 51514 1 73 . 1 1 82 82 LYS N N 15 0.6990 0.0050 . . 200 LYS N 51514 1 74 . 1 1 84 84 GLY N N 15 0.7080 0.0169 . . 202 GLY N 51514 1 75 . 1 1 86 86 SER N N 15 0.7487 0.0196 . . 204 SER N 51514 1 76 . 1 1 87 87 SER N N 15 0.7270 0.0181 . . 205 SER N 51514 1 77 . 1 1 88 88 THR N N 15 0.6999 0.0169 . . 206 THR N 51514 1 78 . 1 1 89 89 ALA N N 15 0.6541 0.0108 . . 207 ALA N 51514 1 79 . 1 1 90 90 ARG N N 15 0.6847 0.0112 . . 208 ARG N 51514 1 80 . 1 1 91 91 ARG N N 15 0.6635 0.0121 . . 209 ARG N 51514 1 81 . 1 1 92 92 SER N N 15 0.6755 0.0170 . . 210 SER N 51514 1 82 . 1 1 93 93 ARG N N 15 0.6720 0.0163 . . 211 ARG N 51514 1 83 . 1 1 94 94 ALA N N 15 0.6682 0.0103 . . 212 ALA N 51514 1 84 . 1 1 95 95 ALA N N 15 0.7405 0.0166 . . 213 ALA N 51514 1 85 . 1 1 96 96 SER N N 15 0.7874 0.0189 . . 214 SER N 51514 1 86 . 1 1 98 98 GLN N N 15 0.7110 0.0171 . . 216 GLN N 51514 1 87 . 1 1 99 99 ARG N N 15 0.7153 0.0094 . . 217 ARG N 51514 1 88 . 1 1 100 100 ALA N N 15 0.6884 0.0072 . . 218 ALA N 51514 1 89 . 1 1 101 101 GLU N N 15 0.7064 0.0029 . . 219 GLU N 51514 1 90 . 1 1 102 102 GLU N N 15 0.6933 0.0040 . . 220 GLU N 51514 1 91 . 1 1 103 103 GLU N N 15 0.7046 0.0018 . . 221 GLU N 51514 1 92 . 1 1 104 104 ASP N N 15 0.6818 0.0018 . . 222 ASP N 51514 1 93 . 1 1 106 106 ASP N N 15 0.6499 0.0021 . . 224 ASP N 51514 1 94 . 1 1 107 107 ILE N N 15 0.6610 0.0008 . . 225 ILE N 51514 1 95 . 1 1 108 108 LYS N N 15 0.6252 0.0033 . . 226 LYS N 51514 1 96 . 1 1 109 109 GLN N N 15 0.6658 0.0053 . . 227 GLN N 51514 1 97 . 1 1 110 110 LEU N N 15 0.7405 0.0069 . . 228 LEU N 51514 1 98 . 1 1 112 112 ALA N N 15 0.7446 0.0080 . . 230 ALA N 51514 1 99 . 1 1 113 113 TRP N N 15 0.8505 0.0074 . . 231 TRP N 51514 1 100 . 1 1 114 114 ALA N N 15 0.9260 0.0118 . . 232 ALA N 51514 1 101 . 1 1 115 115 THR N N 15 1.4338 0.0025 . . 233 THR N 51514 1 stop_ save_ ######################################## # Heteronuclear T2 relaxation values # ######################################## save_heteronucl_T2_relaxation_1 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode heteronucl_T2_relaxation_1 _Heteronucl_T2_list.Entry_ID 51514 _Heteronucl_T2_list.ID 1 _Heteronucl_T2_list.Name . _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T2_list.Temp_calibration_method . _Heteronucl_T2_list.Temp_control_method . _Heteronucl_T2_list.Spectrometer_frequency_1H 800 _Heteronucl_T2_list.T2_coherence_type S(+,-) _Heteronucl_T2_list.T2_val_units s _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID 1 '2D 1H-15N HSQC' . . . 51514 1 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 3 3 GLU N N 15 0.8136 0.0239 . . . . 121 GLU N 51514 1 2 . 1 1 4 4 ASN N N 15 0.7186 0.0210 . . . . 122 ASN N 51514 1 3 . 1 1 5 5 MET N N 15 0.6200 0.0169 . . . . 123 MET N 51514 1 4 . 1 1 6 6 ASP N N 15 0.4975 0.0081 . . . . 124 ASP N 51514 1 5 . 1 1 7 7 LEU N N 15 0.5382 0.0061 . . . . 125 LEU N 51514 1 6 . 1 1 8 8 ASN N N 15 0.5062 0.0091 . . . . 126 ASN N 51514 1 7 . 1 1 9 9 LYS N N 15 0.4933 0.0070 . . . . 127 LYS N 51514 1 8 . 1 1 10 10 ILE N N 15 0.4443 0.0039 . . . . 128 ILE N 51514 1 9 . 1 1 11 11 ASP N N 15 0.3536 0.0032 . . . . 129 ASP N 51514 1 10 . 1 1 12 12 ASP N N 15 0.4307 0.0048 . . . . 130 ASP N 51514 1 11 . 1 1 13 13 LEU N N 15 0.3121 0.0027 . . . . 131 LEU N 51514 1 12 . 1 1 14 14 MET N N 15 0.3570 0.0031 . . . . 132 MET N 51514 1 13 . 1 1 15 15 GLN N N 15 0.4058 0.0052 . . . . 133 GLN N 51514 1 14 . 1 1 16 16 GLU N N 15 0.3513 0.0026 . . . . 134 GLU N 51514 1 15 . 1 1 17 17 ILE N N 15 0.3608 0.0028 . . . . 135 ILE N 51514 1 16 . 1 1 18 18 THR N N 15 0.3552 0.0040 . . . . 136 THR N 51514 1 17 . 1 1 19 19 GLU N N 15 0.3669 0.0042 . . . . 137 GLU N 51514 1 18 . 1 1 20 20 GLN N N 15 0.3752 0.0046 . . . . 138 GLN N 51514 1 19 . 1 1 21 21 GLN N N 15 0.3799 0.0038 . . . . 139 GLN N 51514 1 20 . 1 1 22 22 ASP N N 15 0.3766 0.0034 . . . . 140 ASP N 51514 1 21 . 1 1 23 23 ILE N N 15 0.3713 0.0032 . . . . 141 ILE N 51514 1 22 . 1 1 24 24 ALA N N 15 0.2949 0.0019 . . . . 142 ALA N 51514 1 23 . 1 1 25 25 GLN N N 15 0.3359 0.0039 . . . . 143 GLN N 51514 1 24 . 1 1 26 26 GLU N N 15 0.3357 0.0029 . . . . 144 GLU N 51514 1 25 . 1 1 27 27 ILE N N 15 0.3027 0.0023 . . . . 145 ILE N 51514 1 26 . 1 1 28 28 SER N N 15 0.2927 0.0030 . . . . 146 SER N 51514 1 27 . 1 1 29 29 GLU N N 15 0.2955 0.0030 . . . . 147 GLU N 51514 1 28 . 1 1 30 30 ALA N N 15 0.2922 0.0032 . . . . 148 ALA N 51514 1 29 . 1 1 31 31 PHE N N 15 0.3071 0.0028 . . . . 149 PHE N 51514 1 30 . 1 1 32 32 SER N N 15 0.3067 0.0042 . . . . 150 SER N 51514 1 31 . 1 1 33 33 GLN N N 15 0.3000 0.0032 . . . . 151 GLN N 51514 1 32 . 1 1 34 34 ARG N N 15 0.3071 0.0026 . . . . 152 ARG N 51514 1 33 . 1 1 35 35 VAL N N 15 0.3071 0.0027 . . . . 153 VAL N 51514 1 34 . 1 1 36 36 GLY N N 15 0.3134 0.0030 . . . . 154 GLY N 51514 1 35 . 1 1 37 37 PHE N N 15 0.3323 0.0029 . . . . 155 PHE N 51514 1 36 . 1 1 38 38 GLY N N 15 0.3465 0.0042 . . . . 156 GLY N 51514 1 37 . 1 1 39 39 ASP N N 15 0.3090 0.0030 . . . . 157 ASP N 51514 1 38 . 1 1 40 40 ASP N N 15 0.3005 0.0034 . . . . 158 ASP N 51514 1 39 . 1 1 41 41 PHE N N 15 0.2385 0.0021 . . . . 159 PHE N 51514 1 40 . 1 1 42 42 ASP N N 15 0.2266 0.0014 . . . . 160 ASP N 51514 1 41 . 1 1 43 43 GLU N N 15 0.2024 0.0011 . . . . 161 GLU N 51514 1 42 . 1 1 44 44 ASP N N 15 0.2607 0.0020 . . . . 162 ASP N 51514 1 43 . 1 1 45 45 GLU N N 15 0.1650 0.0009 . . . . 163 GLU N 51514 1 44 . 1 1 46 46 LEU N N 15 0.1623 0.0003 . . . . 164 LEU N 51514 1 45 . 1 1 47 47 MET N N 15 0.1748 0.0008 . . . . 165 MET N 51514 1 46 . 1 1 49 49 GLU N N 15 0.1662 0.0012 . . . . 167 GLU N 51514 1 47 . 1 1 51 51 GLU N N 15 0.1541 0.0006 . . . . 169 GLU N 51514 1 48 . 1 1 52 52 GLU N N 15 0.1280 0.0014 . . . . 170 GLU N 51514 1 49 . 1 1 53 53 LEU N N 15 0.1448 0.0008 . . . . 171 LEU N 51514 1 50 . 1 1 54 54 GLU N N 15 0.1579 0.0008 . . . . 172 GLU N 51514 1 51 . 1 1 55 55 GLN N N 15 0.1414 0.0011 . . . . 173 GLN N 51514 1 52 . 1 1 56 56 GLU N N 15 0.1556 0.0008 . . . . 174 GLU N 51514 1 53 . 1 1 57 57 GLU N N 15 0.1586 0.0010 . . . . 175 GLU N 51514 1 54 . 1 1 58 58 LEU N N 15 0.1619 0.0006 . . . . 176 LEU N 51514 1 55 . 1 1 59 59 ASN N N 15 0.2016 0.0017 . . . . 177 ASN N 51514 1 56 . 1 1 60 60 LYS N N 15 0.1736 0.0013 . . . . 178 LYS N 51514 1 57 . 1 1 61 61 LYS N N 15 0.2174 0.0017 . . . . 179 LYS N 51514 1 58 . 1 1 62 62 MET N N 15 0.1995 0.0012 . . . . 180 MET N 51514 1 59 . 1 1 63 63 THR N N 15 0.2339 0.0024 . . . . 181 THR N 51514 1 60 . 1 1 64 64 ASN N N 15 0.2243 0.0015 . . . . 182 ASN N 51514 1 61 . 1 1 65 65 ILE N N 15 0.2910 0.0024 . . . . 183 ILE N 51514 1 62 . 1 1 66 66 ARG N N 15 0.2555 0.0023 . . . . 184 ARG N 51514 1 63 . 1 1 67 67 LEU N N 15 0.2718 0.0020 . . . . 185 LEU N 51514 1 64 . 1 1 69 69 ASN N N 15 0.3070 0.0026 . . . . 187 ASN N 51514 1 65 . 1 1 70 70 VAL N N 15 0.3277 0.0039 . . . . 188 VAL N 51514 1 66 . 1 1 72 72 SER N N 15 0.3333 0.0044 . . . . 190 SER N 51514 1 67 . 1 1 74 74 SER N N 15 0.3531 0.0059 . . . . 192 SER N 51514 1 68 . 1 1 75 75 LEU N N 15 0.3284 0.0041 . . . . 193 LEU N 51514 1 69 . 1 1 77 77 ALA N N 15 0.3279 0.0046 . . . . 195 ALA N 51514 1 70 . 1 1 78 78 GLN N N 15 0.3468 0.0044 . . . . 196 GLN N 51514 1 71 . 1 1 80 80 ASN N N 15 0.2848 0.0028 . . . . 198 ASN N 51514 1 72 . 1 1 81 81 ARG N N 15 0.2751 0.0021 . . . . 199 ARG N 51514 1 73 . 1 1 82 82 LYS N N 15 0.3287 0.0027 . . . . 200 LYS N 51514 1 74 . 1 1 84 84 GLY N N 15 0.2695 0.0025 . . . . 202 GLY N 51514 1 75 . 1 1 86 86 SER N N 15 0.2948 0.0042 . . . . 204 SER N 51514 1 76 . 1 1 87 87 SER N N 15 0.2811 0.0058 . . . . 205 SER N 51514 1 77 . 1 1 88 88 THR N N 15 0.2524 0.0039 . . . . 206 THR N 51514 1 78 . 1 1 89 89 ALA N N 15 0.2265 0.0022 . . . . 207 ALA N 51514 1 79 . 1 1 90 90 ARG N N 15 0.2375 0.0020 . . . . 208 ARG N 51514 1 80 . 1 1 91 91 ARG N N 15 0.2243 0.0021 . . . . 209 ARG N 51514 1 81 . 1 1 92 92 SER N N 15 0.2323 0.0020 . . . . 210 SER N 51514 1 82 . 1 1 93 93 ARG N N 15 0.2341 0.0022 . . . . 211 ARG N 51514 1 83 . 1 1 94 94 ALA N N 15 0.2612 0.0025 . . . . 212 ALA N 51514 1 84 . 1 1 95 95 ALA N N 15 0.3130 0.0039 . . . . 213 ALA N 51514 1 85 . 1 1 96 96 SER N N 15 0.3522 0.0061 . . . . 214 SER N 51514 1 86 . 1 1 98 98 GLN N N 15 0.3449 0.0035 . . . . 216 GLN N 51514 1 87 . 1 1 99 99 ARG N N 15 0.3622 0.0045 . . . . 217 ARG N 51514 1 88 . 1 1 100 100 ALA N N 15 0.3407 0.0032 . . . . 218 ALA N 51514 1 89 . 1 1 101 101 GLU N N 15 0.3579 0.0036 . . . . 219 GLU N 51514 1 90 . 1 1 102 102 GLU N N 15 0.3146 0.0029 . . . . 220 GLU N 51514 1 91 . 1 1 103 103 GLU N N 15 0.4233 0.0051 . . . . 221 GLU N 51514 1 92 . 1 1 104 104 ASP N N 15 0.3771 0.0033 . . . . 222 ASP N 51514 1 93 . 1 1 106 106 ASP N N 15 0.3423 0.0029 . . . . 224 ASP N 51514 1 94 . 1 1 107 107 ILE N N 15 0.3400 0.0025 . . . . 225 ILE N 51514 1 95 . 1 1 108 108 LYS N N 15 0.3208 0.0024 . . . . 226 LYS N 51514 1 96 . 1 1 109 109 GLN N N 15 0.3452 0.0038 . . . . 227 GLN N 51514 1 97 . 1 1 110 110 LEU N N 15 0.4147 0.0046 . . . . 228 LEU N 51514 1 98 . 1 1 112 112 ALA N N 15 0.4364 0.0054 . . . . 230 ALA N 51514 1 99 . 1 1 113 113 TRP N N 15 0.5516 0.0089 . . . . 231 TRP N 51514 1 100 . 1 1 114 114 ALA N N 15 0.6208 0.0097 . . . . 232 ALA N 51514 1 101 . 1 1 115 115 THR N N 15 1.0940 0.0122 . . . . 233 THR N 51514 1 stop_ save_