data_50398 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50398 _Entry.Title ; Backbone/side_chain assignment of human FOXO4 86_207 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-07-21 _Entry.Accession_date 2020-07-21 _Entry.Last_release_date 2020-07-21 _Entry.Original_release_date 2020-07-21 _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 Benjamin Bourgeois . . . . 50398 2 Tobias Madl . . . . 50398 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50398 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 334 50398 '15N chemical shifts' 123 50398 '1H chemical shifts' 657 50398 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2021-08-11 . original BMRB . 50398 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 50401 'human hFOXO4 240_280' 50398 BMRB 50402 'human hFOXO4 465-500' 50398 BMRB 50403 'human hFOXO4 FHCR3' 50398 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50398 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 34320339 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Multiple regulatory intrinsically disordered motifs control FOXO4 transcription factor binding and function ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Cell Rep.' _Citation.Journal_name_full 'Cell reports' _Citation.Journal_volume 36 _Citation.Journal_issue 4 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2211-1247 _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 109446 _Citation.Page_last 109446 _Citation.Year 2021 _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 Benjamin Bourgeois B. . . . 50398 1 2 Tianshu Gui T. . . . 50398 1 3 Diana Hoogeboom D. . . . 50398 1 4 Henry Hocking H. G. . . 50398 1 5 Gesa Richter G. . . . 50398 1 6 Emil Spreitzer E. . . . 50398 1 7 Martin Viertler M. . . . 50398 1 8 Klaus Richter K. . . . 50398 1 9 Tobias Madl T. . . . 50398 1 10 Boudewijn Burgering . . . . 50398 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50398 _Assembly.ID 1 _Assembly.Name 'human FOXO4 86_207' _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 FOXO4 86_207' 1 $entity_1 . . yes native no no . . . 50398 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50398 _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 ; GAMGAVTGPRKGGSRRNAWG NQSYAELISQAIESAPEKRL TLAQIYEWMVRTVPYFKDKG DSNSSAGWKNSIRHNLSLHS KFIKVHNEATGKSSWWMLNP EGGKSGKAPRRRAASMDSSS KLLRG ; _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 125 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 83 GLY . 50398 1 2 84 ALA . 50398 1 3 85 MET . 50398 1 4 86 GLY . 50398 1 5 87 ALA . 50398 1 6 88 VAL . 50398 1 7 89 THR . 50398 1 8 90 GLY . 50398 1 9 91 PRO . 50398 1 10 92 ARG . 50398 1 11 93 LYS . 50398 1 12 94 GLY . 50398 1 13 95 GLY . 50398 1 14 96 SER . 50398 1 15 97 ARG . 50398 1 16 98 ARG . 50398 1 17 99 ASN . 50398 1 18 100 ALA . 50398 1 19 101 TRP . 50398 1 20 102 GLY . 50398 1 21 103 ASN . 50398 1 22 104 GLN . 50398 1 23 105 SER . 50398 1 24 106 TYR . 50398 1 25 107 ALA . 50398 1 26 108 GLU . 50398 1 27 109 LEU . 50398 1 28 110 ILE . 50398 1 29 111 SER . 50398 1 30 112 GLN . 50398 1 31 113 ALA . 50398 1 32 114 ILE . 50398 1 33 115 GLU . 50398 1 34 116 SER . 50398 1 35 117 ALA . 50398 1 36 118 PRO . 50398 1 37 119 GLU . 50398 1 38 120 LYS . 50398 1 39 121 ARG . 50398 1 40 122 LEU . 50398 1 41 123 THR . 50398 1 42 124 LEU . 50398 1 43 125 ALA . 50398 1 44 126 GLN . 50398 1 45 127 ILE . 50398 1 46 128 TYR . 50398 1 47 129 GLU . 50398 1 48 130 TRP . 50398 1 49 131 MET . 50398 1 50 132 VAL . 50398 1 51 133 ARG . 50398 1 52 134 THR . 50398 1 53 135 VAL . 50398 1 54 136 PRO . 50398 1 55 137 TYR . 50398 1 56 138 PHE . 50398 1 57 139 LYS . 50398 1 58 140 ASP . 50398 1 59 141 LYS . 50398 1 60 142 GLY . 50398 1 61 143 ASP . 50398 1 62 144 SER . 50398 1 63 145 ASN . 50398 1 64 146 SER . 50398 1 65 147 SER . 50398 1 66 148 ALA . 50398 1 67 149 GLY . 50398 1 68 150 TRP . 50398 1 69 151 LYS . 50398 1 70 152 ASN . 50398 1 71 153 SER . 50398 1 72 154 ILE . 50398 1 73 155 ARG . 50398 1 74 156 HIS . 50398 1 75 157 ASN . 50398 1 76 158 LEU . 50398 1 77 159 SER . 50398 1 78 160 LEU . 50398 1 79 161 HIS . 50398 1 80 162 SER . 50398 1 81 163 LYS . 50398 1 82 164 PHE . 50398 1 83 165 ILE . 50398 1 84 166 LYS . 50398 1 85 167 VAL . 50398 1 86 168 HIS . 50398 1 87 169 ASN . 50398 1 88 170 GLU . 50398 1 89 171 ALA . 50398 1 90 172 THR . 50398 1 91 173 GLY . 50398 1 92 174 LYS . 50398 1 93 175 SER . 50398 1 94 176 SER . 50398 1 95 177 TRP . 50398 1 96 178 TRP . 50398 1 97 179 MET . 50398 1 98 180 LEU . 50398 1 99 181 ASN . 50398 1 100 182 PRO . 50398 1 101 183 GLU . 50398 1 102 184 GLY . 50398 1 103 185 GLY . 50398 1 104 186 LYS . 50398 1 105 187 SER . 50398 1 106 188 GLY . 50398 1 107 189 LYS . 50398 1 108 190 ALA . 50398 1 109 191 PRO . 50398 1 110 192 ARG . 50398 1 111 193 ARG . 50398 1 112 194 ARG . 50398 1 113 195 ALA . 50398 1 114 196 ALA . 50398 1 115 197 SER . 50398 1 116 198 MET . 50398 1 117 199 ASP . 50398 1 118 200 SER . 50398 1 119 201 SER . 50398 1 120 202 SER . 50398 1 121 203 LYS . 50398 1 122 204 LEU . 50398 1 123 205 LEU . 50398 1 124 206 ARG . 50398 1 125 207 GLY . 50398 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 50398 1 . ALA 2 2 50398 1 . MET 3 3 50398 1 . GLY 4 4 50398 1 . ALA 5 5 50398 1 . VAL 6 6 50398 1 . THR 7 7 50398 1 . GLY 8 8 50398 1 . PRO 9 9 50398 1 . ARG 10 10 50398 1 . LYS 11 11 50398 1 . GLY 12 12 50398 1 . GLY 13 13 50398 1 . SER 14 14 50398 1 . ARG 15 15 50398 1 . ARG 16 16 50398 1 . ASN 17 17 50398 1 . ALA 18 18 50398 1 . TRP 19 19 50398 1 . GLY 20 20 50398 1 . ASN 21 21 50398 1 . GLN 22 22 50398 1 . SER 23 23 50398 1 . TYR 24 24 50398 1 . ALA 25 25 50398 1 . GLU 26 26 50398 1 . LEU 27 27 50398 1 . ILE 28 28 50398 1 . SER 29 29 50398 1 . GLN 30 30 50398 1 . ALA 31 31 50398 1 . ILE 32 32 50398 1 . GLU 33 33 50398 1 . SER 34 34 50398 1 . ALA 35 35 50398 1 . PRO 36 36 50398 1 . GLU 37 37 50398 1 . LYS 38 38 50398 1 . ARG 39 39 50398 1 . LEU 40 40 50398 1 . THR 41 41 50398 1 . LEU 42 42 50398 1 . ALA 43 43 50398 1 . GLN 44 44 50398 1 . ILE 45 45 50398 1 . TYR 46 46 50398 1 . GLU 47 47 50398 1 . TRP 48 48 50398 1 . MET 49 49 50398 1 . VAL 50 50 50398 1 . ARG 51 51 50398 1 . THR 52 52 50398 1 . VAL 53 53 50398 1 . PRO 54 54 50398 1 . TYR 55 55 50398 1 . PHE 56 56 50398 1 . LYS 57 57 50398 1 . ASP 58 58 50398 1 . LYS 59 59 50398 1 . GLY 60 60 50398 1 . ASP 61 61 50398 1 . SER 62 62 50398 1 . ASN 63 63 50398 1 . SER 64 64 50398 1 . SER 65 65 50398 1 . ALA 66 66 50398 1 . GLY 67 67 50398 1 . TRP 68 68 50398 1 . LYS 69 69 50398 1 . ASN 70 70 50398 1 . SER 71 71 50398 1 . ILE 72 72 50398 1 . ARG 73 73 50398 1 . HIS 74 74 50398 1 . ASN 75 75 50398 1 . LEU 76 76 50398 1 . SER 77 77 50398 1 . LEU 78 78 50398 1 . HIS 79 79 50398 1 . SER 80 80 50398 1 . LYS 81 81 50398 1 . PHE 82 82 50398 1 . ILE 83 83 50398 1 . LYS 84 84 50398 1 . VAL 85 85 50398 1 . HIS 86 86 50398 1 . ASN 87 87 50398 1 . GLU 88 88 50398 1 . ALA 89 89 50398 1 . THR 90 90 50398 1 . GLY 91 91 50398 1 . LYS 92 92 50398 1 . SER 93 93 50398 1 . SER 94 94 50398 1 . TRP 95 95 50398 1 . TRP 96 96 50398 1 . MET 97 97 50398 1 . LEU 98 98 50398 1 . ASN 99 99 50398 1 . PRO 100 100 50398 1 . GLU 101 101 50398 1 . GLY 102 102 50398 1 . GLY 103 103 50398 1 . LYS 104 104 50398 1 . SER 105 105 50398 1 . GLY 106 106 50398 1 . LYS 107 107 50398 1 . ALA 108 108 50398 1 . PRO 109 109 50398 1 . ARG 110 110 50398 1 . ARG 111 111 50398 1 . ARG 112 112 50398 1 . ALA 113 113 50398 1 . ALA 114 114 50398 1 . SER 115 115 50398 1 . MET 116 116 50398 1 . ASP 117 117 50398 1 . SER 118 118 50398 1 . SER 119 119 50398 1 . SER 120 120 50398 1 . LYS 121 121 50398 1 . LEU 122 122 50398 1 . LEU 123 123 50398 1 . ARG 124 124 50398 1 . GLY 125 125 50398 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 50398 _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 . . . . . . . . . . . . . 50398 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 50398 _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 . . pETZ2_1a . . . 50398 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50398 _Sample.ID 1 _Sample.Name hFOXO4_86_207 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'human FOXO4' '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 500 . . uM . . . . 50398 1 2 TRIS 'natural abundance' . . . . . . 50 . . mM . . . . 50398 1 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 50398 1 4 TCEP 'natural abundance' . . . . . . 2 . . mM . . . . 50398 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 50398 _Sample_condition_list.ID 1 _Sample_condition_list.Name solution _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' 0.15 . M 50398 1 pH 7.5 . pH 50398 1 pressure 1 . atm 50398 1 temperature 298 . K 50398 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50398 _Software.ID 1 _Software.Type . _Software.Name CcpNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 50398 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50398 _Software.ID 2 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 50398 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 50398 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name bruker _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 50398 _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 '3D CBCACONH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50398 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50398 1 3 '2D 1H-13C HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50398 1 4 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50398 1 5 '3D CCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50398 1 6 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50398 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50398 1 8 '3D (H)CCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50398 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 50398 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name CS _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 water protons . . . . ppm 4.7 internal indirect . . . . . . 50398 1 H 1 water protons . . . . ppm 4.7 internal direct 1 . . . . . 50398 1 N 15 water protons . . . . ppm 4.7 internal indirect . . . . . . 50398 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 50398 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name shiff_list _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D CBCACONH' . . . 50398 1 2 '2D 1H-15N HSQC' . . . 50398 1 3 '2D 1H-13C HSQC' . . . 50398 1 4 '3D HNCACB' . . . 50398 1 5 '3D CCH-TOCSY' . . . 50398 1 6 '3D HNCA' . . . 50398 1 7 '3D HCCH-TOCSY' . . . 50398 1 8 '3D (H)CCH-TOCSY' . . . 50398 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 . . 50398 1 2 $software_2 . . 50398 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 1 1 GLY HA2 H 1 3.858 0.015 . . . . . . . 83 GLY QA . 50398 1 2 . 1 . 1 1 1 GLY HA3 H 1 3.858 0.015 . . . . . . . 83 GLY QA . 50398 1 3 . 1 . 1 1 1 GLY CA C 13 45.165 0.013 . . . . . . . 83 GLY CA . 50398 1 4 . 1 . 1 2 2 ALA HA H 1 4.265 0.002 . . . . . . . 84 ALA HA . 50398 1 5 . 1 . 1 2 2 ALA HB1 H 1 1.300 0.001 . . . . . . . 84 ALA HB . 50398 1 6 . 1 . 1 2 2 ALA HB2 H 1 1.300 0.001 . . . . . . . 84 ALA HB . 50398 1 7 . 1 . 1 2 2 ALA HB3 H 1 1.300 0.001 . . . . . . . 84 ALA HB . 50398 1 8 . 1 . 1 2 2 ALA CA C 13 52.448 0.047 . . . . . . . 84 ALA CA . 50398 1 9 . 1 . 1 2 2 ALA CB C 13 19.273 0.037 . . . . . . . 84 ALA CB . 50398 1 10 . 1 . 1 3 3 MET H H 1 8.449 0.011 . . . . . . . 85 MET HN . 50398 1 11 . 1 . 1 3 3 MET HA H 1 4.391 0.002 . . . . . . . 85 MET HA . 50398 1 12 . 1 . 1 3 3 MET HB2 H 1 2.541 0.003 . . . . . . . 85 MET HB2 . 50398 1 13 . 1 . 1 3 3 MET HB3 H 1 2.461 0.005 . . . . . . . 85 MET HB3 . 50398 1 14 . 1 . 1 3 3 MET HG2 H 1 1.937 0.015 . . . . . . . 85 MET HG2 . 50398 1 15 . 1 . 1 3 3 MET HG3 H 1 2.022 0.001 . . . . . . . 85 MET HG3 . 50398 1 16 . 1 . 1 3 3 MET CA C 13 55.612 0.036 . . . . . . . 85 MET CA . 50398 1 17 . 1 . 1 3 3 MET CB C 13 31.937 0.030 . . . . . . . 85 MET CB . 50398 1 18 . 1 . 1 3 3 MET CG C 13 32.704 0.017 . . . . . . . 85 MET CG . 50398 1 19 . 1 . 1 3 3 MET N N 15 120.036 0.028 . . . . . . . 85 MET N . 50398 1 20 . 1 . 1 4 4 GLY H H 1 8.297 0.009 . . . . . . . 86 GLY HN . 50398 1 21 . 1 . 1 4 4 GLY N N 15 110.388 0.022 . . . . . . . 86 GLY N . 50398 1 22 . 1 . 1 5 5 ALA H H 1 8.044 0.010 . . . . . . . 87 ALA HN . 50398 1 23 . 1 . 1 5 5 ALA HA H 1 4.265 0.005 . . . . . . . 87 ALA HA . 50398 1 24 . 1 . 1 5 5 ALA HB1 H 1 1.285 0.005 . . . . . . . 87 ALA HB . 50398 1 25 . 1 . 1 5 5 ALA HB2 H 1 1.285 0.005 . . . . . . . 87 ALA HB . 50398 1 26 . 1 . 1 5 5 ALA HB3 H 1 1.285 0.005 . . . . . . . 87 ALA HB . 50398 1 27 . 1 . 1 5 5 ALA CA C 13 52.306 0.056 . . . . . . . 87 ALA CA . 50398 1 28 . 1 . 1 5 5 ALA CB C 13 19.282 0.053 . . . . . . . 87 ALA CB . 50398 1 29 . 1 . 1 5 5 ALA N N 15 123.764 0.013 . . . . . . . 87 ALA N . 50398 1 30 . 1 . 1 6 6 VAL H H 1 8.135 0.011 . . . . . . . 88 VAL HN . 50398 1 31 . 1 . 1 6 6 VAL HA H 1 4.094 0.000 . . . . . . . 88 VAL HA . 50398 1 32 . 1 . 1 6 6 VAL HB H 1 2.017 0.000 . . . . . . . 88 VAL HB . 50398 1 33 . 1 . 1 6 6 VAL HG11 H 1 0.855 0.000 . . . . . . . 88 VAL QG1 . 50398 1 34 . 1 . 1 6 6 VAL HG12 H 1 0.855 0.000 . . . . . . . 88 VAL QG1 . 50398 1 35 . 1 . 1 6 6 VAL HG13 H 1 0.855 0.000 . . . . . . . 88 VAL QG1 . 50398 1 36 . 1 . 1 6 6 VAL HG21 H 1 0.831 0.000 . . . . . . . 88 VAL QG2 . 50398 1 37 . 1 . 1 6 6 VAL HG22 H 1 0.831 0.000 . . . . . . . 88 VAL QG2 . 50398 1 38 . 1 . 1 6 6 VAL HG23 H 1 0.831 0.000 . . . . . . . 88 VAL QG2 . 50398 1 39 . 1 . 1 6 6 VAL CA C 13 62.164 0.000 . . . . . . . 88 VAL CA . 50398 1 40 . 1 . 1 6 6 VAL CB C 13 32.453 0.000 . . . . . . . 88 VAL CB . 50398 1 41 . 1 . 1 6 6 VAL CG1 C 13 20.369 0.000 . . . . . . . 88 VAL CG1 . 50398 1 42 . 1 . 1 6 6 VAL CG2 C 13 20.995 0.000 . . . . . . . 88 VAL CG2 . 50398 1 43 . 1 . 1 6 6 VAL N N 15 119.613 0.049 . . . . . . . 88 VAL N . 50398 1 44 . 1 . 1 7 7 THR H H 1 8.103 0.020 . . . . . . . 89 THR HN . 50398 1 45 . 1 . 1 7 7 THR HA H 1 4.327 0.009 . . . . . . . 89 THR HA . 50398 1 46 . 1 . 1 7 7 THR HB H 1 4.139 0.003 . . . . . . . 89 THR HB . 50398 1 47 . 1 . 1 7 7 THR HG21 H 1 1.111 0.001 . . . . . . . 89 THR QG2 . 50398 1 48 . 1 . 1 7 7 THR HG22 H 1 1.111 0.001 . . . . . . . 89 THR QG2 . 50398 1 49 . 1 . 1 7 7 THR HG23 H 1 1.111 0.001 . . . . . . . 89 THR QG2 . 50398 1 50 . 1 . 1 7 7 THR CA C 13 61.489 0.041 . . . . . . . 89 THR CA . 50398 1 51 . 1 . 1 7 7 THR CB C 13 69.952 0.001 . . . . . . . 89 THR CB . 50398 1 52 . 1 . 1 7 7 THR CG2 C 13 21.301 0.025 . . . . . . . 89 THR CG2 . 50398 1 53 . 1 . 1 7 7 THR N N 15 117.536 0.051 . . . . . . . 89 THR N . 50398 1 54 . 1 . 1 8 8 GLY H H 1 8.127 0.011 . . . . . . . 90 GLY HN . 50398 1 55 . 1 . 1 8 8 GLY N N 15 111.200 0.023 . . . . . . . 90 GLY N . 50398 1 56 . 1 . 1 9 9 PRO HA H 1 4.324 0.011 . . . . . . . 91 PRO HA . 50398 1 57 . 1 . 1 9 9 PRO HB2 H 1 2.184 0.011 . . . . . . . 91 PRO HB2 . 50398 1 58 . 1 . 1 9 9 PRO HD2 H 1 3.519 0.002 . . . . . . . 91 PRO HD2 . 50398 1 59 . 1 . 1 9 9 PRO CA C 13 63.007 0.042 . . . . . . . 91 PRO CA . 50398 1 60 . 1 . 1 9 9 PRO CB C 13 32.052 0.030 . . . . . . . 91 PRO CB . 50398 1 61 . 1 . 1 9 9 PRO CG C 13 27.120 0.000 . . . . . . . 91 PRO CG . 50398 1 62 . 1 . 1 9 9 PRO CD C 13 49.755 0.011 . . . . . . . 91 PRO CD . 50398 1 63 . 1 . 1 10 10 ARG H H 1 8.362 0.011 . . . . . . . 92 ARG HN . 50398 1 64 . 1 . 1 10 10 ARG N N 15 121.500 0.035 . . . . . . . 92 ARG N . 50398 1 65 . 1 . 1 11 11 LYS HA H 1 4.228 0.006 . . . . . . . 93 LYS HA . 50398 1 66 . 1 . 1 11 11 LYS HB2 H 1 1.691 0.014 . . . . . . . 93 LYS QB . 50398 1 67 . 1 . 1 11 11 LYS HB3 H 1 1.691 0.014 . . . . . . . 93 LYS QB . 50398 1 68 . 1 . 1 11 11 LYS CA C 13 56.401 0.051 . . . . . . . 93 LYS CA . 50398 1 69 . 1 . 1 11 11 LYS CB C 13 32.936 0.046 . . . . . . . 93 LYS CB . 50398 1 70 . 1 . 1 11 11 LYS CG C 13 24.603 0.000 . . . . . . . 93 LYS CG . 50398 1 71 . 1 . 1 12 12 GLY H H 1 8.390 0.011 . . . . . . . 94 GLY HN . 50398 1 72 . 1 . 1 12 12 GLY HA2 H 1 3.850 0.010 . . . . . . . 94 GLY QA . 50398 1 73 . 1 . 1 12 12 GLY HA3 H 1 3.850 0.010 . . . . . . . 94 GLY QA . 50398 1 74 . 1 . 1 12 12 GLY CA C 13 45.492 0.053 . . . . . . . 94 GLY CA . 50398 1 75 . 1 . 1 12 12 GLY N N 15 110.661 0.004 . . . . . . . 94 GLY N . 50398 1 76 . 1 . 1 13 13 GLY H H 1 8.108 0.007 . . . . . . . 95 GLY HN . 50398 1 77 . 1 . 1 13 13 GLY HA2 H 1 3.928 0.001 . . . . . . . 95 GLY HA1 . 50398 1 78 . 1 . 1 13 13 GLY CA C 13 45.296 0.000 . . . . . . . 95 GLY CA . 50398 1 79 . 1 . 1 13 13 GLY N N 15 108.423 0.043 . . . . . . . 95 GLY N . 50398 1 80 . 1 . 1 14 14 SER H H 1 8.142 0.003 . . . . . . . 96 SER HN . 50398 1 81 . 1 . 1 14 14 SER HA H 1 4.338 0.000 . . . . . . . 96 SER HA . 50398 1 82 . 1 . 1 14 14 SER HB2 H 1 3.752 0.000 . . . . . . . 96 SER HB2 . 50398 1 83 . 1 . 1 14 14 SER CA C 13 58.221 0.000 . . . . . . . 96 SER CA . 50398 1 84 . 1 . 1 14 14 SER CB C 13 63.863 0.000 . . . . . . . 96 SER CB . 50398 1 85 . 1 . 1 14 14 SER N N 15 115.605 0.035 . . . . . . . 96 SER N . 50398 1 86 . 1 . 1 15 15 ARG H H 1 8.281 0.024 . . . . . . . 97 ARG HN . 50398 1 87 . 1 . 1 15 15 ARG HA H 1 4.275 0.000 . . . . . . . 97 ARG HA . 50398 1 88 . 1 . 1 15 15 ARG HB2 H 1 1.668 0.000 . . . . . . . 97 ARG HB2 . 50398 1 89 . 1 . 1 15 15 ARG HG2 H 1 1.522 0.000 . . . . . . . 97 ARG HG2 . 50398 1 90 . 1 . 1 15 15 ARG HD2 H 1 3.029 0.000 . . . . . . . 97 ARG HD2 . 50398 1 91 . 1 . 1 15 15 ARG CA C 13 55.682 0.026 . . . . . . . 97 ARG CA . 50398 1 92 . 1 . 1 15 15 ARG CB C 13 30.727 0.015 . . . . . . . 97 ARG CB . 50398 1 93 . 1 . 1 15 15 ARG CG C 13 26.886 0.012 . . . . . . . 97 ARG CG . 50398 1 94 . 1 . 1 15 15 ARG CD C 13 43.417 0.018 . . . . . . . 97 ARG CD . 50398 1 95 . 1 . 1 15 15 ARG N N 15 123.107 0.000 . . . . . . . 97 ARG N . 50398 1 96 . 1 . 1 16 16 ARG H H 1 8.204 0.015 . . . . . . . 98 ARG HN . 50398 1 97 . 1 . 1 16 16 ARG HA H 1 4.007 0.004 . . . . . . . 98 ARG HA . 50398 1 98 . 1 . 1 16 16 ARG HB2 H 1 1.579 0.007 . . . . . . . 98 ARG QB . 50398 1 99 . 1 . 1 16 16 ARG HB3 H 1 1.579 0.007 . . . . . . . 98 ARG QB . 50398 1 100 . 1 . 1 16 16 ARG HG2 H 1 1.444 0.000 . . . . . . . 98 ARG HG2 . 50398 1 101 . 1 . 1 16 16 ARG HD2 H 1 3.033 0.001 . . . . . . . 98 ARG QD . 50398 1 102 . 1 . 1 16 16 ARG HD3 H 1 3.033 0.001 . . . . . . . 98 ARG QD . 50398 1 103 . 1 . 1 16 16 ARG CA C 13 56.846 0.033 . . . . . . . 98 ARG CA . 50398 1 104 . 1 . 1 16 16 ARG CB C 13 30.831 0.046 . . . . . . . 98 ARG CB . 50398 1 105 . 1 . 1 16 16 ARG CG C 13 26.935 0.022 . . . . . . . 98 ARG CG . 50398 1 106 . 1 . 1 16 16 ARG CD C 13 43.222 0.008 . . . . . . . 98 ARG CD . 50398 1 107 . 1 . 1 16 16 ARG N N 15 121.734 0.071 . . . . . . . 98 ARG N . 50398 1 108 . 1 . 1 17 17 ASN H H 1 7.636 0.019 . . . . . . . 99 ASN HN . 50398 1 109 . 1 . 1 17 17 ASN HA H 1 4.348 0.000 . . . . . . . 99 ASN HA . 50398 1 110 . 1 . 1 17 17 ASN HB2 H 1 1.624 0.000 . . . . . . . 99 ASN HB2 . 50398 1 111 . 1 . 1 17 17 ASN HB3 H 1 1.034 0.000 . . . . . . . 99 ASN HB3 . 50398 1 112 . 1 . 1 17 17 ASN HD21 H 1 6.842 0.047 . . . . . . . 99 ASN HD21 . 50398 1 113 . 1 . 1 17 17 ASN HD22 H 1 6.784 0.018 . . . . . . . 99 ASN HD22 . 50398 1 114 . 1 . 1 17 17 ASN CA C 13 51.747 0.000 . . . . . . . 99 ASN CA . 50398 1 115 . 1 . 1 17 17 ASN CB C 13 38.938 0.023 . . . . . . . 99 ASN CB . 50398 1 116 . 1 . 1 17 17 ASN N N 15 117.245 0.120 . . . . . . . 99 ASN N . 50398 1 117 . 1 . 1 17 17 ASN ND2 N 15 114.244 0.200 . . . . . . . 99 ASN ND2 . 50398 1 118 . 1 . 1 18 18 ALA HA H 1 3.782 0.015 . . . . . . . 100 ALA HA . 50398 1 119 . 1 . 1 18 18 ALA HB1 H 1 0.926 0.003 . . . . . . . 100 ALA HB . 50398 1 120 . 1 . 1 18 18 ALA HB2 H 1 0.926 0.003 . . . . . . . 100 ALA HB . 50398 1 121 . 1 . 1 18 18 ALA HB3 H 1 0.926 0.003 . . . . . . . 100 ALA HB . 50398 1 122 . 1 . 1 18 18 ALA CA C 13 53.887 0.024 . . . . . . . 100 ALA CA . 50398 1 123 . 1 . 1 18 18 ALA CB C 13 18.528 0.004 . . . . . . . 100 ALA CB . 50398 1 124 . 1 . 1 19 19 TRP H H 1 6.581 0.029 . . . . . . . 101 TRP HN . 50398 1 125 . 1 . 1 19 19 TRP HA H 1 4.201 0.005 . . . . . . . 101 TRP HA . 50398 1 126 . 1 . 1 19 19 TRP HB2 H 1 2.979 0.002 . . . . . . . 101 TRP HB2 . 50398 1 127 . 1 . 1 19 19 TRP HB3 H 1 2.549 0.004 . . . . . . . 101 TRP HB3 . 50398 1 128 . 1 . 1 19 19 TRP HD1 H 1 6.897 0.000 . . . . . . . 101 TRP HD1 . 50398 1 129 . 1 . 1 19 19 TRP HE1 H 1 10.057 0.008 . . . . . . . 101 TRP HE1 . 50398 1 130 . 1 . 1 19 19 TRP HZ2 H 1 6.926 0.000 . . . . . . . 101 TRP HZ2 . 50398 1 131 . 1 . 1 19 19 TRP HZ3 H 1 6.956 0.000 . . . . . . . 101 TRP HZ3 . 50398 1 132 . 1 . 1 19 19 TRP HH2 H 1 6.832 0.000 . . . . . . . 101 TRP HH2 . 50398 1 133 . 1 . 1 19 19 TRP CA C 13 56.945 0.085 . . . . . . . 101 TRP CA . 50398 1 134 . 1 . 1 19 19 TRP CB C 13 28.943 0.051 . . . . . . . 101 TRP CB . 50398 1 135 . 1 . 1 19 19 TRP CD1 C 13 126.641 0.000 . . . . . . . 101 TRP CD1 . 50398 1 136 . 1 . 1 19 19 TRP CZ2 C 13 114.589 0.000 . . . . . . . 101 TRP CZ2 . 50398 1 137 . 1 . 1 19 19 TRP CZ3 C 13 122.151 0.000 . . . . . . . 101 TRP CZ3 . 50398 1 138 . 1 . 1 19 19 TRP CH2 C 13 125.110 0.000 . . . . . . . 101 TRP CH2 . 50398 1 139 . 1 . 1 19 19 TRP N N 15 111.956 0.227 . . . . . . . 101 TRP N . 50398 1 140 . 1 . 1 19 19 TRP NE1 N 15 131.033 0.186 . . . . . . . 101 TRP NE1 . 50398 1 141 . 1 . 1 20 20 GLY H H 1 7.158 0.057 . . . . . . . 102 GLY HN . 50398 1 142 . 1 . 1 20 20 GLY HA2 H 1 4.270 0.000 . . . . . . . 102 GLY HA1 . 50398 1 143 . 1 . 1 20 20 GLY HA3 H 1 3.530 0.000 . . . . . . . 102 GLY HA2 . 50398 1 144 . 1 . 1 20 20 GLY CA C 13 44.678 0.007 . . . . . . . 102 GLY CA . 50398 1 145 . 1 . 1 20 20 GLY N N 15 110.024 0.031 . . . . . . . 102 GLY N . 50398 1 146 . 1 . 1 21 21 ASN HA H 1 4.554 0.006 . . . . . . . 103 ASN HA . 50398 1 147 . 1 . 1 21 21 ASN HB2 H 1 2.638 0.000 . . . . . . . 103 ASN HB2 . 50398 1 148 . 1 . 1 21 21 ASN HB3 H 1 2.771 0.003 . . . . . . . 103 ASN HB3 . 50398 1 149 . 1 . 1 21 21 ASN HD21 H 1 7.487 0.001 . . . . . . . 103 ASN HD21 . 50398 1 150 . 1 . 1 21 21 ASN HD22 H 1 6.832 0.004 . . . . . . . 103 ASN HD22 . 50398 1 151 . 1 . 1 21 21 ASN CA C 13 54.431 0.000 . . . . . . . 103 ASN CA . 50398 1 152 . 1 . 1 21 21 ASN CB C 13 38.669 0.066 . . . . . . . 103 ASN CB . 50398 1 153 . 1 . 1 21 21 ASN ND2 N 15 112.508 0.050 . . . . . . . 103 ASN ND2 . 50398 1 154 . 1 . 1 22 22 GLN H H 1 8.257 0.017 . . . . . . . 104 GLN HN . 50398 1 155 . 1 . 1 22 22 GLN HA H 1 4.382 0.006 . . . . . . . 104 GLN HA . 50398 1 156 . 1 . 1 22 22 GLN HB2 H 1 1.926 0.001 . . . . . . . 104 GLN QB . 50398 1 157 . 1 . 1 22 22 GLN HB3 H 1 1.926 0.001 . . . . . . . 104 GLN QB . 50398 1 158 . 1 . 1 22 22 GLN HG2 H 1 2.280 0.001 . . . . . . . 104 GLN QG . 50398 1 159 . 1 . 1 22 22 GLN HG3 H 1 2.280 0.001 . . . . . . . 104 GLN QG . 50398 1 160 . 1 . 1 22 22 GLN HE21 H 1 7.411 0.008 . . . . . . . 104 GLN HE21 . 50398 1 161 . 1 . 1 22 22 GLN HE22 H 1 6.804 0.006 . . . . . . . 104 GLN HE22 . 50398 1 162 . 1 . 1 22 22 GLN CA C 13 56.173 0.050 . . . . . . . 104 GLN CA . 50398 1 163 . 1 . 1 22 22 GLN CB C 13 30.283 0.014 . . . . . . . 104 GLN CB . 50398 1 164 . 1 . 1 22 22 GLN CG C 13 34.392 0.013 . . . . . . . 104 GLN CG . 50398 1 165 . 1 . 1 22 22 GLN N N 15 119.437 0.075 . . . . . . . 104 GLN N . 50398 1 166 . 1 . 1 22 22 GLN NE2 N 15 111.345 0.011 . . . . . . . 104 GLN NE2 . 50398 1 167 . 1 . 1 23 23 SER H H 1 8.825 0.015 . . . . . . . 105 SER HN . 50398 1 168 . 1 . 1 23 23 SER HA H 1 4.572 0.022 . . . . . . . 105 SER HA . 50398 1 169 . 1 . 1 23 23 SER HB2 H 1 3.986 0.000 . . . . . . . 105 SER HB2 . 50398 1 170 . 1 . 1 23 23 SER HB3 H 1 4.344 0.001 . . . . . . . 105 SER HB3 . 50398 1 171 . 1 . 1 23 23 SER CA C 13 57.237 0.039 . . . . . . . 105 SER CA . 50398 1 172 . 1 . 1 23 23 SER CB C 13 65.106 0.027 . . . . . . . 105 SER CB . 50398 1 173 . 1 . 1 23 23 SER N N 15 118.807 0.090 . . . . . . . 105 SER N . 50398 1 174 . 1 . 1 24 24 TYR H H 1 8.859 0.016 . . . . . . . 106 TYR HN . 50398 1 175 . 1 . 1 24 24 TYR HA H 1 4.134 0.001 . . . . . . . 106 TYR HA . 50398 1 176 . 1 . 1 24 24 TYR HB2 H 1 2.634 0.004 . . . . . . . 106 TYR HB2 . 50398 1 177 . 1 . 1 24 24 TYR HB3 H 1 2.865 0.009 . . . . . . . 106 TYR HB3 . 50398 1 178 . 1 . 1 24 24 TYR CA C 13 63.224 0.035 . . . . . . . 106 TYR CA . 50398 1 179 . 1 . 1 24 24 TYR CB C 13 38.515 0.023 . . . . . . . 106 TYR CB . 50398 1 180 . 1 . 1 24 24 TYR N N 15 119.570 0.062 . . . . . . . 106 TYR N . 50398 1 181 . 1 . 1 25 25 ALA H H 1 8.588 0.019 . . . . . . . 107 ALA HN . 50398 1 182 . 1 . 1 25 25 ALA HA H 1 3.961 0.004 . . . . . . . 107 ALA HA . 50398 1 183 . 1 . 1 25 25 ALA HB1 H 1 1.263 0.001 . . . . . . . 107 ALA HB . 50398 1 184 . 1 . 1 25 25 ALA HB2 H 1 1.263 0.001 . . . . . . . 107 ALA HB . 50398 1 185 . 1 . 1 25 25 ALA HB3 H 1 1.263 0.001 . . . . . . . 107 ALA HB . 50398 1 186 . 1 . 1 25 25 ALA CA C 13 55.978 0.057 . . . . . . . 107 ALA CA . 50398 1 187 . 1 . 1 25 25 ALA CB C 13 17.389 0.026 . . . . . . . 107 ALA CB . 50398 1 188 . 1 . 1 25 25 ALA N N 15 118.991 0.078 . . . . . . . 107 ALA N . 50398 1 189 . 1 . 1 26 26 GLU H H 1 7.905 0.012 . . . . . . . 108 GLU HN . 50398 1 190 . 1 . 1 26 26 GLU HA H 1 3.955 0.002 . . . . . . . 108 GLU HA . 50398 1 191 . 1 . 1 26 26 GLU HB2 H 1 1.981 0.003 . . . . . . . 108 GLU QB . 50398 1 192 . 1 . 1 26 26 GLU HB3 H 1 1.981 0.003 . . . . . . . 108 GLU QB . 50398 1 193 . 1 . 1 26 26 GLU HG2 H 1 2.257 0.006 . . . . . . . 108 GLU QG . 50398 1 194 . 1 . 1 26 26 GLU HG3 H 1 2.257 0.006 . . . . . . . 108 GLU QG . 50398 1 195 . 1 . 1 26 26 GLU CA C 13 59.350 0.047 . . . . . . . 108 GLU CA . 50398 1 196 . 1 . 1 26 26 GLU CB C 13 29.627 0.035 . . . . . . . 108 GLU CB . 50398 1 197 . 1 . 1 26 26 GLU CG C 13 37.270 0.042 . . . . . . . 108 GLU CG . 50398 1 198 . 1 . 1 26 26 GLU N N 15 119.699 0.012 . . . . . . . 108 GLU N . 50398 1 199 . 1 . 1 27 27 LEU H H 1 7.974 0.007 . . . . . . . 109 LEU HN . 50398 1 200 . 1 . 1 27 27 LEU HA H 1 4.033 0.003 . . . . . . . 109 LEU HA . 50398 1 201 . 1 . 1 27 27 LEU HB2 H 1 1.418 0.014 . . . . . . . 109 LEU HB2 . 50398 1 202 . 1 . 1 27 27 LEU HB3 H 1 1.948 0.004 . . . . . . . 109 LEU HB3 . 50398 1 203 . 1 . 1 27 27 LEU HG H 1 1.696 0.003 . . . . . . . 109 LEU HG . 50398 1 204 . 1 . 1 27 27 LEU HD11 H 1 0.877 0.000 . . . . . . . 109 LEU QD1 . 50398 1 205 . 1 . 1 27 27 LEU HD12 H 1 0.877 0.000 . . . . . . . 109 LEU QD1 . 50398 1 206 . 1 . 1 27 27 LEU HD13 H 1 0.877 0.000 . . . . . . . 109 LEU QD1 . 50398 1 207 . 1 . 1 27 27 LEU HD21 H 1 0.586 0.007 . . . . . . . 109 LEU QD2 . 50398 1 208 . 1 . 1 27 27 LEU HD22 H 1 0.586 0.007 . . . . . . . 109 LEU QD2 . 50398 1 209 . 1 . 1 27 27 LEU HD23 H 1 0.586 0.007 . . . . . . . 109 LEU QD2 . 50398 1 210 . 1 . 1 27 27 LEU CA C 13 58.233 0.102 . . . . . . . 109 LEU CA . 50398 1 211 . 1 . 1 27 27 LEU CB C 13 42.713 0.026 . . . . . . . 109 LEU CB . 50398 1 212 . 1 . 1 27 27 LEU CG C 13 26.559 0.000 . . . . . . . 109 LEU CG . 50398 1 213 . 1 . 1 27 27 LEU CD1 C 13 22.865 0.000 . . . . . . . 109 LEU CD1 . 50398 1 214 . 1 . 1 27 27 LEU CD2 C 13 25.589 0.001 . . . . . . . 109 LEU CD2 . 50398 1 215 . 1 . 1 27 27 LEU N N 15 121.216 0.012 . . . . . . . 109 LEU N . 50398 1 216 . 1 . 1 28 28 ILE H H 1 8.448 0.014 . . . . . . . 110 ILE HN . 50398 1 217 . 1 . 1 28 28 ILE HA H 1 2.912 0.001 . . . . . . . 110 ILE HA . 50398 1 218 . 1 . 1 28 28 ILE HB H 1 1.412 0.016 . . . . . . . 110 ILE HB . 50398 1 219 . 1 . 1 28 28 ILE HG12 H 1 0.304 0.009 . . . . . . . 110 ILE HG12 . 50398 1 220 . 1 . 1 28 28 ILE HG21 H 1 -0.020 0.008 . . . . . . . 110 ILE QG2 . 50398 1 221 . 1 . 1 28 28 ILE HG22 H 1 -0.020 0.008 . . . . . . . 110 ILE QG2 . 50398 1 222 . 1 . 1 28 28 ILE HG23 H 1 -0.020 0.008 . . . . . . . 110 ILE QG2 . 50398 1 223 . 1 . 1 28 28 ILE HD11 H 1 0.408 0.003 . . . . . . . 110 ILE QD1 . 50398 1 224 . 1 . 1 28 28 ILE HD12 H 1 0.408 0.003 . . . . . . . 110 ILE QD1 . 50398 1 225 . 1 . 1 28 28 ILE HD13 H 1 0.408 0.003 . . . . . . . 110 ILE QD1 . 50398 1 226 . 1 . 1 28 28 ILE CA C 13 65.496 0.042 . . . . . . . 110 ILE CA . 50398 1 227 . 1 . 1 28 28 ILE CB C 13 37.949 0.004 . . . . . . . 110 ILE CB . 50398 1 228 . 1 . 1 28 28 ILE CG1 C 13 29.333 0.015 . . . . . . . 110 ILE CG1 . 50398 1 229 . 1 . 1 28 28 ILE CG2 C 13 18.804 0.040 . . . . . . . 110 ILE CG2 . 50398 1 230 . 1 . 1 28 28 ILE CD1 C 13 15.207 0.000 . . . . . . . 110 ILE CD1 . 50398 1 231 . 1 . 1 28 28 ILE N N 15 117.666 0.028 . . . . . . . 110 ILE N . 50398 1 232 . 1 . 1 29 29 SER H H 1 7.845 0.007 . . . . . . . 111 SER HN . 50398 1 233 . 1 . 1 29 29 SER HB2 H 1 3.867 0.001 . . . . . . . 111 SER HB2 . 50398 1 234 . 1 . 1 29 29 SER HB3 H 1 4.007 0.004 . . . . . . . 111 SER HB3 . 50398 1 235 . 1 . 1 29 29 SER CB C 13 62.886 0.050 . . . . . . . 111 SER CB . 50398 1 236 . 1 . 1 29 29 SER N N 15 112.904 0.028 . . . . . . . 111 SER N . 50398 1 237 . 1 . 1 30 30 GLN H H 1 7.646 0.011 . . . . . . . 112 GLN HN . 50398 1 238 . 1 . 1 30 30 GLN HA H 1 3.757 0.001 . . . . . . . 112 GLN HA . 50398 1 239 . 1 . 1 30 30 GLN HB2 H 1 2.038 0.000 . . . . . . . 112 GLN HB2 . 50398 1 240 . 1 . 1 30 30 GLN HB3 H 1 2.105 0.002 . . . . . . . 112 GLN HB3 . 50398 1 241 . 1 . 1 30 30 GLN HG2 H 1 2.533 0.003 . . . . . . . 112 GLN HG2 . 50398 1 242 . 1 . 1 30 30 GLN HG3 H 1 2.316 0.007 . . . . . . . 112 GLN HG3 . 50398 1 243 . 1 . 1 30 30 GLN HE21 H 1 7.425 0.007 . . . . . . . 112 GLN HE21 . 50398 1 244 . 1 . 1 30 30 GLN HE22 H 1 6.744 0.003 . . . . . . . 112 GLN HE22 . 50398 1 245 . 1 . 1 30 30 GLN CA C 13 58.799 0.055 . . . . . . . 112 GLN CA . 50398 1 246 . 1 . 1 30 30 GLN CB C 13 28.371 0.004 . . . . . . . 112 GLN CB . 50398 1 247 . 1 . 1 30 30 GLN CG C 13 34.188 0.023 . . . . . . . 112 GLN CG . 50398 1 248 . 1 . 1 30 30 GLN N N 15 120.519 0.033 . . . . . . . 112 GLN N . 50398 1 249 . 1 . 1 30 30 GLN NE2 N 15 109.864 0.038 . . . . . . . 112 GLN NE2 . 50398 1 250 . 1 . 1 31 31 ALA H H 1 7.312 0.005 . . . . . . . 113 ALA HN . 50398 1 251 . 1 . 1 31 31 ALA HA H 1 1.885 0.008 . . . . . . . 113 ALA HA . 50398 1 252 . 1 . 1 31 31 ALA HB1 H 1 0.322 0.001 . . . . . . . 113 ALA HB . 50398 1 253 . 1 . 1 31 31 ALA HB2 H 1 0.322 0.001 . . . . . . . 113 ALA HB . 50398 1 254 . 1 . 1 31 31 ALA HB3 H 1 0.322 0.001 . . . . . . . 113 ALA HB . 50398 1 255 . 1 . 1 31 31 ALA CA C 13 54.660 0.001 . . . . . . . 113 ALA CA . 50398 1 256 . 1 . 1 31 31 ALA CB C 13 16.638 0.005 . . . . . . . 113 ALA CB . 50398 1 257 . 1 . 1 31 31 ALA N N 15 123.705 0.025 . . . . . . . 113 ALA N . 50398 1 258 . 1 . 1 32 32 ILE H H 1 7.735 0.006 . . . . . . . 114 ILE HN . 50398 1 259 . 1 . 1 32 32 ILE HA H 1 3.076 0.000 . . . . . . . 114 ILE HA . 50398 1 260 . 1 . 1 32 32 ILE HB H 1 1.536 0.017 . . . . . . . 114 ILE HB . 50398 1 261 . 1 . 1 32 32 ILE HG12 H 1 0.538 0.009 . . . . . . . 114 ILE QG1 . 50398 1 262 . 1 . 1 32 32 ILE HG13 H 1 0.538 0.009 . . . . . . . 114 ILE QG1 . 50398 1 263 . 1 . 1 32 32 ILE HG21 H 1 0.730 0.005 . . . . . . . 114 ILE QG2 . 50398 1 264 . 1 . 1 32 32 ILE HG22 H 1 0.730 0.005 . . . . . . . 114 ILE QG2 . 50398 1 265 . 1 . 1 32 32 ILE HG23 H 1 0.730 0.005 . . . . . . . 114 ILE QG2 . 50398 1 266 . 1 . 1 32 32 ILE HD11 H 1 0.536 0.011 . . . . . . . 114 ILE QD1 . 50398 1 267 . 1 . 1 32 32 ILE HD12 H 1 0.536 0.011 . . . . . . . 114 ILE QD1 . 50398 1 268 . 1 . 1 32 32 ILE HD13 H 1 0.536 0.011 . . . . . . . 114 ILE QD1 . 50398 1 269 . 1 . 1 32 32 ILE CA C 13 66.121 0.011 . . . . . . . 114 ILE CA . 50398 1 270 . 1 . 1 32 32 ILE CB C 13 38.422 0.005 . . . . . . . 114 ILE CB . 50398 1 271 . 1 . 1 32 32 ILE CG1 C 13 29.872 0.070 . . . . . . . 114 ILE CG1 . 50398 1 272 . 1 . 1 32 32 ILE CG2 C 13 18.699 0.025 . . . . . . . 114 ILE CG2 . 50398 1 273 . 1 . 1 32 32 ILE CD1 C 13 14.137 0.013 . . . . . . . 114 ILE CD1 . 50398 1 274 . 1 . 1 32 32 ILE N N 15 117.745 0.006 . . . . . . . 114 ILE N . 50398 1 275 . 1 . 1 33 33 GLU H H 1 8.287 0.009 . . . . . . . 115 GLU HN . 50398 1 276 . 1 . 1 33 33 GLU HA H 1 3.814 0.000 . . . . . . . 115 GLU HA . 50398 1 277 . 1 . 1 33 33 GLU HB2 H 1 1.914 0.007 . . . . . . . 115 GLU HB2 . 50398 1 278 . 1 . 1 33 33 GLU HG2 H 1 2.144 0.001 . . . . . . . 115 GLU HG2 . 50398 1 279 . 1 . 1 33 33 GLU HG3 H 1 2.250 0.014 . . . . . . . 115 GLU HG3 . 50398 1 280 . 1 . 1 33 33 GLU CA C 13 58.903 0.000 . . . . . . . 115 GLU CA . 50398 1 281 . 1 . 1 33 33 GLU CB C 13 29.720 0.072 . . . . . . . 115 GLU CB . 50398 1 282 . 1 . 1 33 33 GLU CG C 13 37.043 0.011 . . . . . . . 115 GLU CG . 50398 1 283 . 1 . 1 33 33 GLU N N 15 116.034 0.015 . . . . . . . 115 GLU N . 50398 1 284 . 1 . 1 34 34 SER H H 1 7.293 0.007 . . . . . . . 116 SER HN . 50398 1 285 . 1 . 1 34 34 SER HA H 1 4.254 0.008 . . . . . . . 116 SER HA . 50398 1 286 . 1 . 1 34 34 SER HB2 H 1 3.974 0.001 . . . . . . . 116 SER QB . 50398 1 287 . 1 . 1 34 34 SER HB3 H 1 3.974 0.001 . . . . . . . 116 SER QB . 50398 1 288 . 1 . 1 34 34 SER CA C 13 59.192 0.034 . . . . . . . 116 SER CA . 50398 1 289 . 1 . 1 34 34 SER CB C 13 63.925 0.038 . . . . . . . 116 SER CB . 50398 1 290 . 1 . 1 34 34 SER N N 15 111.590 0.013 . . . . . . . 116 SER N . 50398 1 291 . 1 . 1 35 35 ALA H H 1 7.384 0.007 . . . . . . . 117 ALA HN . 50398 1 292 . 1 . 1 35 35 ALA HA H 1 4.626 0.000 . . . . . . . 117 ALA HA . 50398 1 293 . 1 . 1 35 35 ALA HB1 H 1 1.425 0.000 . . . . . . . 117 ALA HB . 50398 1 294 . 1 . 1 35 35 ALA HB2 H 1 1.425 0.000 . . . . . . . 117 ALA HB . 50398 1 295 . 1 . 1 35 35 ALA HB3 H 1 1.425 0.000 . . . . . . . 117 ALA HB . 50398 1 296 . 1 . 1 35 35 ALA CA C 13 50.234 0.000 . . . . . . . 117 ALA CA . 50398 1 297 . 1 . 1 35 35 ALA CB C 13 18.567 0.000 . . . . . . . 117 ALA CB . 50398 1 298 . 1 . 1 35 35 ALA N N 15 128.268 0.009 . . . . . . . 117 ALA N . 50398 1 299 . 1 . 1 36 36 PRO HA H 1 4.242 0.000 . . . . . . . 118 PRO HA . 50398 1 300 . 1 . 1 36 36 PRO HB2 H 1 2.339 0.000 . . . . . . . 118 PRO HB2 . 50398 1 301 . 1 . 1 36 36 PRO HB3 H 1 1.899 0.000 . . . . . . . 118 PRO HB3 . 50398 1 302 . 1 . 1 36 36 PRO HG2 H 1 2.159 0.000 . . . . . . . 118 PRO HG2 . 50398 1 303 . 1 . 1 36 36 PRO HG3 H 1 2.055 0.000 . . . . . . . 118 PRO HG3 . 50398 1 304 . 1 . 1 36 36 PRO HD2 H 1 3.706 0.000 . . . . . . . 118 PRO HD2 . 50398 1 305 . 1 . 1 36 36 PRO HD3 H 1 3.551 0.000 . . . . . . . 118 PRO HD3 . 50398 1 306 . 1 . 1 36 36 PRO CA C 13 65.378 0.000 . . . . . . . 118 PRO CA . 50398 1 307 . 1 . 1 36 36 PRO CB C 13 31.753 0.009 . . . . . . . 118 PRO CB . 50398 1 308 . 1 . 1 36 36 PRO CG C 13 27.732 0.020 . . . . . . . 118 PRO CG . 50398 1 309 . 1 . 1 36 36 PRO CD C 13 50.492 0.011 . . . . . . . 118 PRO CD . 50398 1 310 . 1 . 1 38 38 LYS H H 1 8.091 0.006 . . . . . . . 120 LYS HN . 50398 1 311 . 1 . 1 38 38 LYS HA H 1 4.182 0.001 . . . . . . . 120 LYS HA . 50398 1 312 . 1 . 1 38 38 LYS HB2 H 1 1.317 0.000 . . . . . . . 120 LYS HB2 . 50398 1 313 . 1 . 1 38 38 LYS HG2 H 1 1.453 0.136 . . . . . . . 120 LYS HG2 . 50398 1 314 . 1 . 1 38 38 LYS HG3 H 1 1.317 0.000 . . . . . . . 120 LYS HG3 . 50398 1 315 . 1 . 1 38 38 LYS HD2 H 1 1.780 0.153 . . . . . . . 120 LYS HD2 . 50398 1 316 . 1 . 1 38 38 LYS HD3 H 1 1.291 0.017 . . . . . . . 120 LYS HD3 . 50398 1 317 . 1 . 1 38 38 LYS HE2 H 1 2.989 0.000 . . . . . . . 120 LYS HE2 . 50398 1 318 . 1 . 1 38 38 LYS HE3 H 1 2.950 0.000 . . . . . . . 120 LYS HE3 . 50398 1 319 . 1 . 1 38 38 LYS CA C 13 55.952 0.072 . . . . . . . 120 LYS CA . 50398 1 320 . 1 . 1 38 38 LYS CB C 13 32.840 0.000 . . . . . . . 120 LYS CB . 50398 1 321 . 1 . 1 38 38 LYS CG C 13 24.600 0.154 . . . . . . . 120 LYS CG . 50398 1 322 . 1 . 1 38 38 LYS CD C 13 29.017 0.041 . . . . . . . 120 LYS CD . 50398 1 323 . 1 . 1 38 38 LYS CE C 13 42.776 0.006 . . . . . . . 120 LYS CE . 50398 1 324 . 1 . 1 38 38 LYS N N 15 113.661 0.002 . . . . . . . 120 LYS N . 50398 1 325 . 1 . 1 39 39 ARG H H 1 6.659 0.004 . . . . . . . 121 ARG HN . 50398 1 326 . 1 . 1 39 39 ARG HA H 1 5.240 0.006 . . . . . . . 121 ARG HA . 50398 1 327 . 1 . 1 39 39 ARG HB2 H 1 1.515 0.009 . . . . . . . 121 ARG HB2 . 50398 1 328 . 1 . 1 39 39 ARG HB3 H 1 1.148 0.004 . . . . . . . 121 ARG HB3 . 50398 1 329 . 1 . 1 39 39 ARG HG2 H 1 1.041 0.001 . . . . . . . 121 ARG HG2 . 50398 1 330 . 1 . 1 39 39 ARG HG3 H 1 0.456 0.001 . . . . . . . 121 ARG HG3 . 50398 1 331 . 1 . 1 39 39 ARG HD2 H 1 2.032 0.004 . . . . . . . 121 ARG HD2 . 50398 1 332 . 1 . 1 39 39 ARG HD3 H 1 1.458 0.000 . . . . . . . 121 ARG HD3 . 50398 1 333 . 1 . 1 39 39 ARG CA C 13 53.818 0.018 . . . . . . . 121 ARG CA . 50398 1 334 . 1 . 1 39 39 ARG CB C 13 32.454 0.028 . . . . . . . 121 ARG CB . 50398 1 335 . 1 . 1 39 39 ARG CG C 13 23.938 0.010 . . . . . . . 121 ARG CG . 50398 1 336 . 1 . 1 39 39 ARG CD C 13 38.349 0.042 . . . . . . . 121 ARG CD . 50398 1 337 . 1 . 1 39 39 ARG N N 15 109.520 0.016 . . . . . . . 121 ARG N . 50398 1 338 . 1 . 1 40 40 LEU H H 1 8.548 0.008 . . . . . . . 122 LEU HN . 50398 1 339 . 1 . 1 40 40 LEU HA H 1 5.179 0.003 . . . . . . . 122 LEU HA . 50398 1 340 . 1 . 1 40 40 LEU HB2 H 1 1.347 0.005 . . . . . . . 122 LEU HB2 . 50398 1 341 . 1 . 1 40 40 LEU HB3 H 1 1.780 0.014 . . . . . . . 122 LEU HB3 . 50398 1 342 . 1 . 1 40 40 LEU HD11 H 1 0.990 0.000 . . . . . . . 122 LEU QD1 . 50398 1 343 . 1 . 1 40 40 LEU HD12 H 1 0.990 0.000 . . . . . . . 122 LEU QD1 . 50398 1 344 . 1 . 1 40 40 LEU HD13 H 1 0.990 0.000 . . . . . . . 122 LEU QD1 . 50398 1 345 . 1 . 1 40 40 LEU HD21 H 1 0.361 0.000 . . . . . . . 122 LEU QD2 . 50398 1 346 . 1 . 1 40 40 LEU HD22 H 1 0.361 0.000 . . . . . . . 122 LEU QD2 . 50398 1 347 . 1 . 1 40 40 LEU HD23 H 1 0.361 0.000 . . . . . . . 122 LEU QD2 . 50398 1 348 . 1 . 1 40 40 LEU CA C 13 54.092 0.000 . . . . . . . 122 LEU CA . 50398 1 349 . 1 . 1 40 40 LEU CB C 13 49.456 0.014 . . . . . . . 122 LEU CB . 50398 1 350 . 1 . 1 40 40 LEU CD1 C 13 23.738 0.000 . . . . . . . 122 LEU CD1 . 50398 1 351 . 1 . 1 40 40 LEU CD2 C 13 26.840 0.000 . . . . . . . 122 LEU CD2 . 50398 1 352 . 1 . 1 40 40 LEU N N 15 120.094 0.007 . . . . . . . 122 LEU N . 50398 1 353 . 1 . 1 41 41 THR H H 1 8.853 0.011 . . . . . . . 123 THR HN . 50398 1 354 . 1 . 1 41 41 THR HA H 1 4.905 0.004 . . . . . . . 123 THR HA . 50398 1 355 . 1 . 1 41 41 THR HB H 1 4.523 0.002 . . . . . . . 123 THR HB . 50398 1 356 . 1 . 1 41 41 THR HG21 H 1 0.699 0.000 . . . . . . . 123 THR QG2 . 50398 1 357 . 1 . 1 41 41 THR HG22 H 1 0.699 0.000 . . . . . . . 123 THR QG2 . 50398 1 358 . 1 . 1 41 41 THR HG23 H 1 0.699 0.000 . . . . . . . 123 THR QG2 . 50398 1 359 . 1 . 1 41 41 THR CA C 13 60.496 0.003 . . . . . . . 123 THR CA . 50398 1 360 . 1 . 1 41 41 THR CB C 13 71.020 0.003 . . . . . . . 123 THR CB . 50398 1 361 . 1 . 1 41 41 THR CG2 C 13 21.351 0.034 . . . . . . . 123 THR CG2 . 50398 1 362 . 1 . 1 41 41 THR N N 15 112.459 0.006 . . . . . . . 123 THR N . 50398 1 363 . 1 . 1 42 42 LEU H H 1 9.258 0.020 . . . . . . . 124 LEU HN . 50398 1 364 . 1 . 1 42 42 LEU HA H 1 3.605 0.001 . . . . . . . 124 LEU HA . 50398 1 365 . 1 . 1 42 42 LEU HB2 H 1 1.641 0.007 . . . . . . . 124 LEU HB2 . 50398 1 366 . 1 . 1 42 42 LEU HB3 H 1 1.418 0.007 . . . . . . . 124 LEU HB3 . 50398 1 367 . 1 . 1 42 42 LEU HD11 H 1 0.359 0.000 . . . . . . . 124 LEU QD1 . 50398 1 368 . 1 . 1 42 42 LEU HD12 H 1 0.359 0.000 . . . . . . . 124 LEU QD1 . 50398 1 369 . 1 . 1 42 42 LEU HD13 H 1 0.359 0.000 . . . . . . . 124 LEU QD1 . 50398 1 370 . 1 . 1 42 42 LEU HD21 H 1 0.747 0.000 . . . . . . . 124 LEU QD2 . 50398 1 371 . 1 . 1 42 42 LEU HD22 H 1 0.747 0.000 . . . . . . . 124 LEU QD2 . 50398 1 372 . 1 . 1 42 42 LEU HD23 H 1 0.747 0.000 . . . . . . . 124 LEU QD2 . 50398 1 373 . 1 . 1 42 42 LEU CA C 13 58.573 0.005 . . . . . . . 124 LEU CA . 50398 1 374 . 1 . 1 42 42 LEU CB C 13 41.671 0.022 . . . . . . . 124 LEU CB . 50398 1 375 . 1 . 1 42 42 LEU CD1 C 13 23.697 0.000 . . . . . . . 124 LEU CD1 . 50398 1 376 . 1 . 1 42 42 LEU CD2 C 13 25.454 0.000 . . . . . . . 124 LEU CD2 . 50398 1 377 . 1 . 1 42 42 LEU N N 15 122.225 0.012 . . . . . . . 124 LEU N . 50398 1 378 . 1 . 1 43 43 ALA H H 1 8.211 0.018 . . . . . . . 125 ALA HN . 50398 1 379 . 1 . 1 43 43 ALA HA H 1 3.842 0.004 . . . . . . . 125 ALA HA . 50398 1 380 . 1 . 1 43 43 ALA HB1 H 1 1.336 0.001 . . . . . . . 125 ALA HB . 50398 1 381 . 1 . 1 43 43 ALA HB2 H 1 1.336 0.001 . . . . . . . 125 ALA HB . 50398 1 382 . 1 . 1 43 43 ALA HB3 H 1 1.336 0.001 . . . . . . . 125 ALA HB . 50398 1 383 . 1 . 1 43 43 ALA CA C 13 55.286 0.052 . . . . . . . 125 ALA CA . 50398 1 384 . 1 . 1 43 43 ALA CB C 13 18.188 0.060 . . . . . . . 125 ALA CB . 50398 1 385 . 1 . 1 43 43 ALA N N 15 117.682 0.004 . . . . . . . 125 ALA N . 50398 1 386 . 1 . 1 44 44 GLN H H 1 7.583 0.006 . . . . . . . 126 GLN HN . 50398 1 387 . 1 . 1 44 44 GLN HA H 1 4.104 0.000 . . . . . . . 126 GLN HA . 50398 1 388 . 1 . 1 44 44 GLN HB2 H 1 2.093 0.000 . . . . . . . 126 GLN HB2 . 50398 1 389 . 1 . 1 44 44 GLN HB3 H 1 2.498 0.000 . . . . . . . 126 GLN HB3 . 50398 1 390 . 1 . 1 44 44 GLN HG2 H 1 2.449 0.000 . . . . . . . 126 GLN QG . 50398 1 391 . 1 . 1 44 44 GLN HG3 H 1 2.449 0.000 . . . . . . . 126 GLN QG . 50398 1 392 . 1 . 1 44 44 GLN HE21 H 1 7.495 0.004 . . . . . . . 126 GLN HE21 . 50398 1 393 . 1 . 1 44 44 GLN HE22 H 1 6.769 0.001 . . . . . . . 126 GLN HE22 . 50398 1 394 . 1 . 1 44 44 GLN CA C 13 58.438 0.051 . . . . . . . 126 GLN CA . 50398 1 395 . 1 . 1 44 44 GLN CB C 13 30.366 0.050 . . . . . . . 126 GLN CB . 50398 1 396 . 1 . 1 44 44 GLN CG C 13 34.937 0.019 . . . . . . . 126 GLN CG . 50398 1 397 . 1 . 1 44 44 GLN N N 15 116.260 0.012 . . . . . . . 126 GLN N . 50398 1 398 . 1 . 1 44 44 GLN NE2 N 15 110.633 0.011 . . . . . . . 126 GLN NE2 . 50398 1 399 . 1 . 1 45 45 ILE H H 1 8.286 0.011 . . . . . . . 127 ILE HN . 50398 1 400 . 1 . 1 45 45 ILE HA H 1 3.458 0.009 . . . . . . . 127 ILE HA . 50398 1 401 . 1 . 1 45 45 ILE HG12 H 1 0.349 0.000 . . . . . . . 127 ILE HG12 . 50398 1 402 . 1 . 1 45 45 ILE HG21 H 1 0.610 0.005 . . . . . . . 127 ILE QG2 . 50398 1 403 . 1 . 1 45 45 ILE HG22 H 1 0.610 0.005 . . . . . . . 127 ILE QG2 . 50398 1 404 . 1 . 1 45 45 ILE HG23 H 1 0.610 0.005 . . . . . . . 127 ILE QG2 . 50398 1 405 . 1 . 1 45 45 ILE HD11 H 1 0.350 0.000 . . . . . . . 127 ILE QD1 . 50398 1 406 . 1 . 1 45 45 ILE HD12 H 1 0.350 0.000 . . . . . . . 127 ILE QD1 . 50398 1 407 . 1 . 1 45 45 ILE HD13 H 1 0.350 0.000 . . . . . . . 127 ILE QD1 . 50398 1 408 . 1 . 1 45 45 ILE CA C 13 66.573 0.047 . . . . . . . 127 ILE CA . 50398 1 409 . 1 . 1 45 45 ILE CB C 13 37.388 0.000 . . . . . . . 127 ILE CB . 50398 1 410 . 1 . 1 45 45 ILE CG1 C 13 30.666 0.029 . . . . . . . 127 ILE CG1 . 50398 1 411 . 1 . 1 45 45 ILE CG2 C 13 18.030 0.018 . . . . . . . 127 ILE CG2 . 50398 1 412 . 1 . 1 45 45 ILE CD1 C 13 13.639 0.000 . . . . . . . 127 ILE CD1 . 50398 1 413 . 1 . 1 45 45 ILE N N 15 124.775 0.014 . . . . . . . 127 ILE N . 50398 1 414 . 1 . 1 46 46 TYR H H 1 8.085 0.014 . . . . . . . 128 TYR HN . 50398 1 415 . 1 . 1 46 46 TYR HA H 1 4.489 0.000 . . . . . . . 128 TYR HA . 50398 1 416 . 1 . 1 46 46 TYR HB2 H 1 3.189 0.000 . . . . . . . 128 TYR HB2 . 50398 1 417 . 1 . 1 46 46 TYR HB3 H 1 3.281 0.000 . . . . . . . 128 TYR HB3 . 50398 1 418 . 1 . 1 46 46 TYR CA C 13 59.203 0.000 . . . . . . . 128 TYR CA . 50398 1 419 . 1 . 1 46 46 TYR CB C 13 36.697 0.035 . . . . . . . 128 TYR CB . 50398 1 420 . 1 . 1 46 46 TYR N N 15 118.223 0.011 . . . . . . . 128 TYR N . 50398 1 421 . 1 . 1 47 47 GLU H H 1 8.081 0.000 . . . . . . . 129 GLU HN . 50398 1 422 . 1 . 1 47 47 GLU HA H 1 3.944 0.015 . . . . . . . 129 GLU HA . 50398 1 423 . 1 . 1 47 47 GLU HB2 H 1 2.022 0.005 . . . . . . . 129 GLU HB2 . 50398 1 424 . 1 . 1 47 47 GLU HB3 H 1 2.127 0.004 . . . . . . . 129 GLU HB3 . 50398 1 425 . 1 . 1 47 47 GLU HG2 H 1 2.470 0.001 . . . . . . . 129 GLU HG2 . 50398 1 426 . 1 . 1 47 47 GLU HG3 H 1 2.235 0.001 . . . . . . . 129 GLU HG3 . 50398 1 427 . 1 . 1 47 47 GLU CA C 13 59.540 0.017 . . . . . . . 129 GLU CA . 50398 1 428 . 1 . 1 47 47 GLU CB C 13 29.622 0.034 . . . . . . . 129 GLU CB . 50398 1 429 . 1 . 1 47 47 GLU CG C 13 36.310 0.031 . . . . . . . 129 GLU CG . 50398 1 430 . 1 . 1 47 47 GLU N N 15 117.495 0.000 . . . . . . . 129 GLU N . 50398 1 431 . 1 . 1 48 48 TRP H H 1 8.184 0.009 . . . . . . . 130 TRP HN . 50398 1 432 . 1 . 1 48 48 TRP HA H 1 3.884 0.004 . . . . . . . 130 TRP HA . 50398 1 433 . 1 . 1 48 48 TRP HB2 H 1 3.444 0.001 . . . . . . . 130 TRP HB2 . 50398 1 434 . 1 . 1 48 48 TRP HB3 H 1 3.215 0.002 . . . . . . . 130 TRP HB3 . 50398 1 435 . 1 . 1 48 48 TRP HD1 H 1 7.180 0.000 . . . . . . . 130 TRP HD1 . 50398 1 436 . 1 . 1 48 48 TRP HE1 H 1 9.859 0.002 . . . . . . . 130 TRP HE1 . 50398 1 437 . 1 . 1 48 48 TRP HE3 H 1 7.129 0.000 . . . . . . . 130 TRP HE3 . 50398 1 438 . 1 . 1 48 48 TRP HZ2 H 1 7.233 0.000 . . . . . . . 130 TRP HZ2 . 50398 1 439 . 1 . 1 48 48 TRP HZ3 H 1 6.783 0.000 . . . . . . . 130 TRP HZ3 . 50398 1 440 . 1 . 1 48 48 TRP HH2 H 1 6.948 0.000 . . . . . . . 130 TRP HH2 . 50398 1 441 . 1 . 1 48 48 TRP CA C 13 62.487 0.058 . . . . . . . 130 TRP CA . 50398 1 442 . 1 . 1 48 48 TRP CB C 13 28.845 0.014 . . . . . . . 130 TRP CB . 50398 1 443 . 1 . 1 48 48 TRP CD1 C 13 126.880 0.000 . . . . . . . 130 TRP CD1 . 50398 1 444 . 1 . 1 48 48 TRP CE3 C 13 119.807 0.000 . . . . . . . 130 TRP CE3 . 50398 1 445 . 1 . 1 48 48 TRP CZ2 C 13 114.173 0.000 . . . . . . . 130 TRP CZ2 . 50398 1 446 . 1 . 1 48 48 TRP CZ3 C 13 122.211 0.000 . . . . . . . 130 TRP CZ3 . 50398 1 447 . 1 . 1 48 48 TRP CH2 C 13 124.736 0.000 . . . . . . . 130 TRP CH2 . 50398 1 448 . 1 . 1 48 48 TRP N N 15 120.651 0.011 . . . . . . . 130 TRP N . 50398 1 449 . 1 . 1 48 48 TRP NE1 N 15 128.967 0.008 . . . . . . . 130 TRP NE1 . 50398 1 450 . 1 . 1 49 49 MET H H 1 8.306 0.015 . . . . . . . 131 MET HN . 50398 1 451 . 1 . 1 49 49 MET HA H 1 3.824 0.003 . . . . . . . 131 MET HA . 50398 1 452 . 1 . 1 49 49 MET HB2 H 1 2.247 0.009 . . . . . . . 131 MET HB2 . 50398 1 453 . 1 . 1 49 49 MET HB3 H 1 1.143 0.005 . . . . . . . 131 MET HB3 . 50398 1 454 . 1 . 1 49 49 MET HG2 H 1 2.663 0.001 . . . . . . . 131 MET QG . 50398 1 455 . 1 . 1 49 49 MET HG3 H 1 2.663 0.001 . . . . . . . 131 MET QG . 50398 1 456 . 1 . 1 49 49 MET CA C 13 58.747 0.002 . . . . . . . 131 MET CA . 50398 1 457 . 1 . 1 49 49 MET CB C 13 31.526 0.030 . . . . . . . 131 MET CB . 50398 1 458 . 1 . 1 49 49 MET CG C 13 33.368 0.047 . . . . . . . 131 MET CG . 50398 1 459 . 1 . 1 49 49 MET N N 15 119.546 0.030 . . . . . . . 131 MET N . 50398 1 460 . 1 . 1 50 50 VAL H H 1 7.475 0.009 . . . . . . . 132 VAL HN . 50398 1 461 . 1 . 1 50 50 VAL HA H 1 3.300 0.002 . . . . . . . 132 VAL HA . 50398 1 462 . 1 . 1 50 50 VAL HB H 1 1.954 0.017 . . . . . . . 132 VAL HB . 50398 1 463 . 1 . 1 50 50 VAL HG11 H 1 0.897 0.001 . . . . . . . 132 VAL QG1 . 50398 1 464 . 1 . 1 50 50 VAL HG12 H 1 0.897 0.001 . . . . . . . 132 VAL QG1 . 50398 1 465 . 1 . 1 50 50 VAL HG13 H 1 0.897 0.001 . . . . . . . 132 VAL QG1 . 50398 1 466 . 1 . 1 50 50 VAL HG21 H 1 1.018 0.001 . . . . . . . 132 VAL QG2 . 50398 1 467 . 1 . 1 50 50 VAL HG22 H 1 1.018 0.001 . . . . . . . 132 VAL QG2 . 50398 1 468 . 1 . 1 50 50 VAL HG23 H 1 1.018 0.001 . . . . . . . 132 VAL QG2 . 50398 1 469 . 1 . 1 50 50 VAL CA C 13 64.921 0.003 . . . . . . . 132 VAL CA . 50398 1 470 . 1 . 1 50 50 VAL CB C 13 32.042 0.056 . . . . . . . 132 VAL CB . 50398 1 471 . 1 . 1 50 50 VAL CG1 C 13 21.336 0.009 . . . . . . . 132 VAL CG1 . 50398 1 472 . 1 . 1 50 50 VAL CG2 C 13 22.430 0.045 . . . . . . . 132 VAL CG2 . 50398 1 473 . 1 . 1 50 50 VAL N N 15 115.683 0.012 . . . . . . . 132 VAL N . 50398 1 474 . 1 . 1 51 51 ARG H H 1 7.646 0.009 . . . . . . . 133 ARG HN . 50398 1 475 . 1 . 1 51 51 ARG HA H 1 4.005 0.002 . . . . . . . 133 ARG HA . 50398 1 476 . 1 . 1 51 51 ARG HB2 H 1 1.563 0.007 . . . . . . . 133 ARG QB . 50398 1 477 . 1 . 1 51 51 ARG HB3 H 1 1.563 0.007 . . . . . . . 133 ARG QB . 50398 1 478 . 1 . 1 51 51 ARG HG2 H 1 1.610 0.000 . . . . . . . 133 ARG QG . 50398 1 479 . 1 . 1 51 51 ARG HG3 H 1 1.610 0.000 . . . . . . . 133 ARG QG . 50398 1 480 . 1 . 1 51 51 ARG HD2 H 1 3.052 0.001 . . . . . . . 133 ARG QD . 50398 1 481 . 1 . 1 51 51 ARG HD3 H 1 3.052 0.001 . . . . . . . 133 ARG QD . 50398 1 482 . 1 . 1 51 51 ARG CA C 13 57.875 0.045 . . . . . . . 133 ARG CA . 50398 1 483 . 1 . 1 51 51 ARG CB C 13 31.053 0.092 . . . . . . . 133 ARG CB . 50398 1 484 . 1 . 1 51 51 ARG CG C 13 27.460 0.028 . . . . . . . 133 ARG CG . 50398 1 485 . 1 . 1 51 51 ARG CD C 13 43.410 0.060 . . . . . . . 133 ARG CD . 50398 1 486 . 1 . 1 51 51 ARG N N 15 116.694 0.014 . . . . . . . 133 ARG N . 50398 1 487 . 1 . 1 52 52 THR H H 1 7.449 0.005 . . . . . . . 134 THR HN . 50398 1 488 . 1 . 1 52 52 THR HA H 1 3.811 0.013 . . . . . . . 134 THR HA . 50398 1 489 . 1 . 1 52 52 THR HB H 1 2.681 0.002 . . . . . . . 134 THR HB . 50398 1 490 . 1 . 1 52 52 THR HG21 H 1 0.569 0.006 . . . . . . . 134 THR QG2 . 50398 1 491 . 1 . 1 52 52 THR HG22 H 1 0.569 0.006 . . . . . . . 134 THR QG2 . 50398 1 492 . 1 . 1 52 52 THR HG23 H 1 0.569 0.006 . . . . . . . 134 THR QG2 . 50398 1 493 . 1 . 1 52 52 THR CA C 13 64.449 0.029 . . . . . . . 134 THR CA . 50398 1 494 . 1 . 1 52 52 THR CB C 13 69.745 0.022 . . . . . . . 134 THR CB . 50398 1 495 . 1 . 1 52 52 THR CG2 C 13 20.891 0.021 . . . . . . . 134 THR CG2 . 50398 1 496 . 1 . 1 52 52 THR N N 15 111.686 0.035 . . . . . . . 134 THR N . 50398 1 497 . 1 . 1 53 53 VAL H H 1 7.904 0.005 . . . . . . . 135 VAL HN . 50398 1 498 . 1 . 1 53 53 VAL HA H 1 4.237 0.000 . . . . . . . 135 VAL HA . 50398 1 499 . 1 . 1 53 53 VAL HB H 1 2.319 0.000 . . . . . . . 135 VAL HB . 50398 1 500 . 1 . 1 53 53 VAL HG11 H 1 0.768 0.012 . . . . . . . 135 VAL QG1 . 50398 1 501 . 1 . 1 53 53 VAL HG12 H 1 0.768 0.012 . . . . . . . 135 VAL QG1 . 50398 1 502 . 1 . 1 53 53 VAL HG13 H 1 0.768 0.012 . . . . . . . 135 VAL QG1 . 50398 1 503 . 1 . 1 53 53 VAL HG21 H 1 0.750 0.000 . . . . . . . 135 VAL QG2 . 50398 1 504 . 1 . 1 53 53 VAL HG22 H 1 0.750 0.000 . . . . . . . 135 VAL QG2 . 50398 1 505 . 1 . 1 53 53 VAL HG23 H 1 0.750 0.000 . . . . . . . 135 VAL QG2 . 50398 1 506 . 1 . 1 53 53 VAL CA C 13 59.991 0.000 . . . . . . . 135 VAL CA . 50398 1 507 . 1 . 1 53 53 VAL CB C 13 32.191 0.000 . . . . . . . 135 VAL CB . 50398 1 508 . 1 . 1 53 53 VAL CG1 C 13 21.514 0.000 . . . . . . . 135 VAL CG1 . 50398 1 509 . 1 . 1 53 53 VAL CG2 C 13 21.514 0.000 . . . . . . . 135 VAL CG2 . 50398 1 510 . 1 . 1 53 53 VAL N N 15 124.603 0.049 . . . . . . . 135 VAL N . 50398 1 511 . 1 . 1 54 54 PRO HA H 1 3.942 0.000 . . . . . . . 136 PRO HA . 50398 1 512 . 1 . 1 54 54 PRO HB2 H 1 2.244 0.000 . . . . . . . 136 PRO HB2 . 50398 1 513 . 1 . 1 54 54 PRO HB3 H 1 1.801 0.000 . . . . . . . 136 PRO HB3 . 50398 1 514 . 1 . 1 54 54 PRO HG2 H 1 2.197 0.000 . . . . . . . 136 PRO HG2 . 50398 1 515 . 1 . 1 54 54 PRO HG3 H 1 2.027 0.000 . . . . . . . 136 PRO HG3 . 50398 1 516 . 1 . 1 54 54 PRO HD2 H 1 3.953 0.000 . . . . . . . 136 PRO HD2 . 50398 1 517 . 1 . 1 54 54 PRO CA C 13 66.204 0.053 . . . . . . . 136 PRO CA . 50398 1 518 . 1 . 1 54 54 PRO CB C 13 31.921 0.023 . . . . . . . 136 PRO CB . 50398 1 519 . 1 . 1 54 54 PRO CG C 13 27.241 0.008 . . . . . . . 136 PRO CG . 50398 1 520 . 1 . 1 54 54 PRO CD C 13 50.539 0.000 . . . . . . . 136 PRO CD . 50398 1 521 . 1 . 1 55 55 TYR H H 1 7.994 0.038 . . . . . . . 137 TYR HN . 50398 1 522 . 1 . 1 55 55 TYR HA H 1 3.911 0.009 . . . . . . . 137 TYR HA . 50398 1 523 . 1 . 1 55 55 TYR HB2 H 1 1.943 0.008 . . . . . . . 137 TYR HB2 . 50398 1 524 . 1 . 1 55 55 TYR HB3 H 1 2.973 0.008 . . . . . . . 137 TYR HB3 . 50398 1 525 . 1 . 1 55 55 TYR CA C 13 60.713 0.041 . . . . . . . 137 TYR CA . 50398 1 526 . 1 . 1 55 55 TYR CB C 13 39.250 0.019 . . . . . . . 137 TYR CB . 50398 1 527 . 1 . 1 55 55 TYR N N 15 115.904 0.084 . . . . . . . 137 TYR N . 50398 1 528 . 1 . 1 56 56 PHE H H 1 7.355 0.013 . . . . . . . 138 PHE HN . 50398 1 529 . 1 . 1 56 56 PHE HA H 1 3.760 0.002 . . . . . . . 138 PHE HA . 50398 1 530 . 1 . 1 56 56 PHE HB2 H 1 2.332 0.001 . . . . . . . 138 PHE HB2 . 50398 1 531 . 1 . 1 56 56 PHE HB3 H 1 2.189 0.005 . . . . . . . 138 PHE HB3 . 50398 1 532 . 1 . 1 56 56 PHE HZ H 1 6.357 0.000 . . . . . . . 138 PHE HZ . 50398 1 533 . 1 . 1 56 56 PHE CA C 13 58.495 0.013 . . . . . . . 138 PHE CA . 50398 1 534 . 1 . 1 56 56 PHE CB C 13 37.947 0.052 . . . . . . . 138 PHE CB . 50398 1 535 . 1 . 1 56 56 PHE CZ C 13 129.649 0.000 . . . . . . . 138 PHE CZ . 50398 1 536 . 1 . 1 56 56 PHE N N 15 113.083 0.044 . . . . . . . 138 PHE N . 50398 1 537 . 1 . 1 57 57 LYS H H 1 7.400 0.008 . . . . . . . 139 LYS HN . 50398 1 538 . 1 . 1 57 57 LYS N N 15 120.117 0.017 . . . . . . . 139 LYS N . 50398 1 539 . 1 . 1 58 58 ASP H H 1 8.044 0.023 . . . . . . . 140 ASP HN . 50398 1 540 . 1 . 1 58 58 ASP HA H 1 4.649 0.011 . . . . . . . 140 ASP HA . 50398 1 541 . 1 . 1 58 58 ASP HB2 H 1 2.535 0.003 . . . . . . . 140 ASP HB2 . 50398 1 542 . 1 . 1 58 58 ASP HB3 H 1 2.713 0.004 . . . . . . . 140 ASP HB3 . 50398 1 543 . 1 . 1 58 58 ASP CA C 13 53.828 0.081 . . . . . . . 140 ASP CA . 50398 1 544 . 1 . 1 58 58 ASP CB C 13 40.414 0.116 . . . . . . . 140 ASP CB . 50398 1 545 . 1 . 1 58 58 ASP N N 15 116.536 0.064 . . . . . . . 140 ASP N . 50398 1 546 . 1 . 1 59 59 LYS H H 1 7.659 0.008 . . . . . . . 141 LYS HN . 50398 1 547 . 1 . 1 59 59 LYS HA H 1 4.572 0.006 . . . . . . . 141 LYS HA . 50398 1 548 . 1 . 1 59 59 LYS HB2 H 1 1.521 0.003 . . . . . . . 141 LYS HB2 . 50398 1 549 . 1 . 1 59 59 LYS HB3 H 1 2.129 0.003 . . . . . . . 141 LYS HB3 . 50398 1 550 . 1 . 1 59 59 LYS HD2 H 1 1.122 0.010 . . . . . . . 141 LYS HD2 . 50398 1 551 . 1 . 1 59 59 LYS HD3 H 1 1.257 0.010 . . . . . . . 141 LYS HD3 . 50398 1 552 . 1 . 1 59 59 LYS HE2 H 1 2.587 0.000 . . . . . . . 141 LYS HE2 . 50398 1 553 . 1 . 1 59 59 LYS HE3 H 1 2.761 0.000 . . . . . . . 141 LYS HE3 . 50398 1 554 . 1 . 1 59 59 LYS CA C 13 55.465 0.076 . . . . . . . 141 LYS CA . 50398 1 555 . 1 . 1 59 59 LYS CB C 13 32.501 0.083 . . . . . . . 141 LYS CB . 50398 1 556 . 1 . 1 59 59 LYS CG C 13 24.805 0.000 . . . . . . . 141 LYS CG . 50398 1 557 . 1 . 1 59 59 LYS CD C 13 28.615 0.046 . . . . . . . 141 LYS CD . 50398 1 558 . 1 . 1 59 59 LYS CE C 13 42.361 0.000 . . . . . . . 141 LYS CE . 50398 1 559 . 1 . 1 59 59 LYS N N 15 119.393 0.017 . . . . . . . 141 LYS N . 50398 1 560 . 1 . 1 60 60 GLY H H 1 8.475 0.008 . . . . . . . 142 GLY HN . 50398 1 561 . 1 . 1 60 60 GLY HA2 H 1 3.869 0.003 . . . . . . . 142 GLY HA1 . 50398 1 562 . 1 . 1 60 60 GLY HA3 H 1 4.112 0.004 . . . . . . . 142 GLY HA2 . 50398 1 563 . 1 . 1 60 60 GLY CA C 13 46.389 0.028 . . . . . . . 142 GLY CA . 50398 1 564 . 1 . 1 60 60 GLY N N 15 108.052 0.041 . . . . . . . 142 GLY N . 50398 1 565 . 1 . 1 61 61 ASP H H 1 8.122 0.011 . . . . . . . 143 ASP HN . 50398 1 566 . 1 . 1 61 61 ASP HA H 1 4.650 0.000 . . . . . . . 143 ASP HA . 50398 1 567 . 1 . 1 61 61 ASP HB2 H 1 2.739 0.000 . . . . . . . 143 ASP HB2 . 50398 1 568 . 1 . 1 61 61 ASP HB3 H 1 2.664 0.000 . . . . . . . 143 ASP HB3 . 50398 1 569 . 1 . 1 61 61 ASP CA C 13 53.749 0.000 . . . . . . . 143 ASP CA . 50398 1 570 . 1 . 1 61 61 ASP CB C 13 41.217 0.043 . . . . . . . 143 ASP CB . 50398 1 571 . 1 . 1 61 61 ASP N N 15 119.313 0.025 . . . . . . . 143 ASP N . 50398 1 572 . 1 . 1 62 62 SER H H 1 8.148 0.001 . . . . . . . 144 SER HN . 50398 1 573 . 1 . 1 62 62 SER HA H 1 4.123 0.000 . . . . . . . 144 SER HA . 50398 1 574 . 1 . 1 62 62 SER HB2 H 1 3.848 0.000 . . . . . . . 144 SER QB . 50398 1 575 . 1 . 1 62 62 SER HB3 H 1 3.848 0.000 . . . . . . . 144 SER QB . 50398 1 576 . 1 . 1 62 62 SER CA C 13 60.157 0.000 . . . . . . . 144 SER CA . 50398 1 577 . 1 . 1 62 62 SER CB C 13 63.332 0.000 . . . . . . . 144 SER CB . 50398 1 578 . 1 . 1 62 62 SER N N 15 116.086 0.014 . . . . . . . 144 SER N . 50398 1 579 . 1 . 1 63 63 ASN HD21 H 1 7.631 0.005 . . . . . . . 145 ASN HD21 . 50398 1 580 . 1 . 1 63 63 ASN HD22 H 1 6.890 0.000 . . . . . . . 145 ASN HD22 . 50398 1 581 . 1 . 1 63 63 ASN ND2 N 15 113.562 0.030 . . . . . . . 145 ASN ND2 . 50398 1 582 . 1 . 1 65 65 SER HA H 1 3.886 0.000 . . . . . . . 147 SER HA . 50398 1 583 . 1 . 1 65 65 SER CA C 13 58.987 0.000 . . . . . . . 147 SER CA . 50398 1 584 . 1 . 1 65 65 SER CB C 13 64.140 0.048 . . . . . . . 147 SER CB . 50398 1 585 . 1 . 1 66 66 ALA H H 1 7.472 0.014 . . . . . . . 148 ALA HN . 50398 1 586 . 1 . 1 66 66 ALA HA H 1 3.933 0.003 . . . . . . . 148 ALA HA . 50398 1 587 . 1 . 1 66 66 ALA HB1 H 1 1.265 0.002 . . . . . . . 148 ALA HB . 50398 1 588 . 1 . 1 66 66 ALA HB2 H 1 1.265 0.002 . . . . . . . 148 ALA HB . 50398 1 589 . 1 . 1 66 66 ALA HB3 H 1 1.265 0.002 . . . . . . . 148 ALA HB . 50398 1 590 . 1 . 1 66 66 ALA CA C 13 53.989 0.031 . . . . . . . 148 ALA CA . 50398 1 591 . 1 . 1 66 66 ALA CB C 13 18.870 0.075 . . . . . . . 148 ALA CB . 50398 1 592 . 1 . 1 66 66 ALA N N 15 123.924 0.006 . . . . . . . 148 ALA N . 50398 1 593 . 1 . 1 67 67 GLY H H 1 8.180 0.007 . . . . . . . 149 GLY HN . 50398 1 594 . 1 . 1 67 67 GLY HA2 H 1 3.945 0.000 . . . . . . . 149 GLY HA1 . 50398 1 595 . 1 . 1 67 67 GLY HA3 H 1 3.818 0.000 . . . . . . . 149 GLY HA2 . 50398 1 596 . 1 . 1 67 67 GLY CA C 13 46.980 0.007 . . . . . . . 149 GLY CA . 50398 1 597 . 1 . 1 67 67 GLY N N 15 106.881 0.107 . . . . . . . 149 GLY N . 50398 1 598 . 1 . 1 68 68 TRP H H 1 8.073 0.000 . . . . . . . 150 TRP HN . 50398 1 599 . 1 . 1 68 68 TRP HA H 1 4.461 0.000 . . . . . . . 150 TRP HA . 50398 1 600 . 1 . 1 68 68 TRP HB2 H 1 3.439 0.000 . . . . . . . 150 TRP HB2 . 50398 1 601 . 1 . 1 68 68 TRP HB3 H 1 3.316 0.000 . . . . . . . 150 TRP HB3 . 50398 1 602 . 1 . 1 68 68 TRP HD1 H 1 7.516 0.000 . . . . . . . 150 TRP HD1 . 50398 1 603 . 1 . 1 68 68 TRP HE1 H 1 10.079 0.003 . . . . . . . 150 TRP HE1 . 50398 1 604 . 1 . 1 68 68 TRP HZ2 H 1 7.130 0.000 . . . . . . . 150 TRP HZ2 . 50398 1 605 . 1 . 1 68 68 TRP HZ3 H 1 6.671 0.000 . . . . . . . 150 TRP HZ3 . 50398 1 606 . 1 . 1 68 68 TRP HH2 H 1 7.010 0.000 . . . . . . . 150 TRP HH2 . 50398 1 607 . 1 . 1 68 68 TRP CA C 13 59.435 0.000 . . . . . . . 150 TRP CA . 50398 1 608 . 1 . 1 68 68 TRP CB C 13 28.654 0.000 . . . . . . . 150 TRP CB . 50398 1 609 . 1 . 1 68 68 TRP CD1 C 13 127.478 0.000 . . . . . . . 150 TRP CD1 . 50398 1 610 . 1 . 1 68 68 TRP CZ2 C 13 114.112 0.000 . . . . . . . 150 TRP CZ2 . 50398 1 611 . 1 . 1 68 68 TRP CZ3 C 13 120.694 0.000 . . . . . . . 150 TRP CZ3 . 50398 1 612 . 1 . 1 68 68 TRP CH2 C 13 124.029 0.000 . . . . . . . 150 TRP CH2 . 50398 1 613 . 1 . 1 68 68 TRP N N 15 122.781 0.034 . . . . . . . 150 TRP N . 50398 1 614 . 1 . 1 68 68 TRP NE1 N 15 128.994 0.009 . . . . . . . 150 TRP NE1 . 50398 1 615 . 1 . 1 69 69 LYS H H 1 7.368 0.000 . . . . . . . 151 LYS HN . 50398 1 616 . 1 . 1 69 69 LYS HA H 1 3.259 0.005 . . . . . . . 151 LYS HA . 50398 1 617 . 1 . 1 69 69 LYS HB2 H 1 1.100 0.017 . . . . . . . 151 LYS HB2 . 50398 1 618 . 1 . 1 69 69 LYS HB3 H 1 1.046 0.010 . . . . . . . 151 LYS HB3 . 50398 1 619 . 1 . 1 69 69 LYS HD2 H 1 0.698 0.002 . . . . . . . 151 LYS HD2 . 50398 1 620 . 1 . 1 69 69 LYS HD3 H 1 0.574 0.002 . . . . . . . 151 LYS HD3 . 50398 1 621 . 1 . 1 69 69 LYS CA C 13 60.588 0.097 . . . . . . . 151 LYS CA . 50398 1 622 . 1 . 1 69 69 LYS CB C 13 31.386 0.029 . . . . . . . 151 LYS CB . 50398 1 623 . 1 . 1 69 69 LYS CD C 13 29.215 0.016 . . . . . . . 151 LYS CD . 50398 1 624 . 1 . 1 69 69 LYS N N 15 121.737 0.000 . . . . . . . 151 LYS N . 50398 1 625 . 1 . 1 70 70 ASN H H 1 7.678 0.010 . . . . . . . 152 ASN HN . 50398 1 626 . 1 . 1 70 70 ASN HA H 1 4.269 0.000 . . . . . . . 152 ASN HA . 50398 1 627 . 1 . 1 70 70 ASN HB2 H 1 2.722 0.000 . . . . . . . 152 ASN QB . 50398 1 628 . 1 . 1 70 70 ASN HB3 H 1 2.722 0.000 . . . . . . . 152 ASN QB . 50398 1 629 . 1 . 1 70 70 ASN HD21 H 1 7.587 0.010 . . . . . . . 152 ASN HD21 . 50398 1 630 . 1 . 1 70 70 ASN HD22 H 1 6.852 0.013 . . . . . . . 152 ASN HD22 . 50398 1 631 . 1 . 1 70 70 ASN CA C 13 56.217 0.000 . . . . . . . 152 ASN CA . 50398 1 632 . 1 . 1 70 70 ASN CB C 13 37.918 0.101 . . . . . . . 152 ASN CB . 50398 1 633 . 1 . 1 70 70 ASN N N 15 119.042 0.039 . . . . . . . 152 ASN N . 50398 1 634 . 1 . 1 70 70 ASN ND2 N 15 113.602 0.015 . . . . . . . 152 ASN ND2 . 50398 1 635 . 1 . 1 71 71 SER H H 1 8.063 0.015 . . . . . . . 153 SER HN . 50398 1 636 . 1 . 1 71 71 SER HB2 H 1 4.133 0.000 . . . . . . . 153 SER HB2 . 50398 1 637 . 1 . 1 71 71 SER CB C 13 62.481 0.000 . . . . . . . 153 SER CB . 50398 1 638 . 1 . 1 71 71 SER N N 15 117.355 0.042 . . . . . . . 153 SER N . 50398 1 639 . 1 . 1 72 72 ILE H H 1 8.112 0.011 . . . . . . . 154 ILE HN . 50398 1 640 . 1 . 1 72 72 ILE HA H 1 3.375 0.001 . . . . . . . 154 ILE HA . 50398 1 641 . 1 . 1 72 72 ILE HG12 H 1 0.881 0.000 . . . . . . . 154 ILE HG12 . 50398 1 642 . 1 . 1 72 72 ILE HG21 H 1 0.547 0.006 . . . . . . . 154 ILE QG2 . 50398 1 643 . 1 . 1 72 72 ILE HG22 H 1 0.547 0.006 . . . . . . . 154 ILE QG2 . 50398 1 644 . 1 . 1 72 72 ILE HG23 H 1 0.547 0.006 . . . . . . . 154 ILE QG2 . 50398 1 645 . 1 . 1 72 72 ILE CA C 13 64.667 0.061 . . . . . . . 154 ILE CA . 50398 1 646 . 1 . 1 72 72 ILE CB C 13 36.573 0.000 . . . . . . . 154 ILE CB . 50398 1 647 . 1 . 1 72 72 ILE CG1 C 13 28.806 0.000 . . . . . . . 154 ILE CG1 . 50398 1 648 . 1 . 1 72 72 ILE CG2 C 13 16.763 0.001 . . . . . . . 154 ILE CG2 . 50398 1 649 . 1 . 1 72 72 ILE CD1 C 13 12.955 0.000 . . . . . . . 154 ILE CD1 . 50398 1 650 . 1 . 1 72 72 ILE N N 15 124.846 0.051 . . . . . . . 154 ILE N . 50398 1 651 . 1 . 1 73 73 ARG H H 1 7.637 0.017 . . . . . . . 155 ARG HN . 50398 1 652 . 1 . 1 73 73 ARG HA H 1 3.554 0.000 . . . . . . . 155 ARG HA . 50398 1 653 . 1 . 1 73 73 ARG HB2 H 1 1.838 0.000 . . . . . . . 155 ARG HB2 . 50398 1 654 . 1 . 1 73 73 ARG HB3 H 1 1.788 0.000 . . . . . . . 155 ARG HB3 . 50398 1 655 . 1 . 1 73 73 ARG HG2 H 1 1.777 0.000 . . . . . . . 155 ARG HG2 . 50398 1 656 . 1 . 1 73 73 ARG HG3 H 1 1.451 0.000 . . . . . . . 155 ARG HG3 . 50398 1 657 . 1 . 1 73 73 ARG HD2 H 1 3.174 0.000 . . . . . . . 155 ARG QD . 50398 1 658 . 1 . 1 73 73 ARG HD3 H 1 3.174 0.000 . . . . . . . 155 ARG QD . 50398 1 659 . 1 . 1 73 73 ARG CA C 13 60.327 0.000 . . . . . . . 155 ARG CA . 50398 1 660 . 1 . 1 73 73 ARG CB C 13 29.779 0.000 . . . . . . . 155 ARG CB . 50398 1 661 . 1 . 1 73 73 ARG CG C 13 27.778 0.023 . . . . . . . 155 ARG CG . 50398 1 662 . 1 . 1 73 73 ARG CD C 13 43.339 0.000 . . . . . . . 155 ARG CD . 50398 1 663 . 1 . 1 73 73 ARG N N 15 118.676 0.024 . . . . . . . 155 ARG N . 50398 1 664 . 1 . 1 74 74 HIS H H 1 8.329 0.014 . . . . . . . 156 HIS HN . 50398 1 665 . 1 . 1 74 74 HIS HA H 1 4.240 0.000 . . . . . . . 156 HIS HA . 50398 1 666 . 1 . 1 74 74 HIS HB2 H 1 3.073 0.000 . . . . . . . 156 HIS QB . 50398 1 667 . 1 . 1 74 74 HIS HB3 H 1 3.073 0.000 . . . . . . . 156 HIS QB . 50398 1 668 . 1 . 1 74 74 HIS CA C 13 59.321 0.000 . . . . . . . 156 HIS CA . 50398 1 669 . 1 . 1 74 74 HIS CB C 13 31.041 0.000 . . . . . . . 156 HIS CB . 50398 1 670 . 1 . 1 74 74 HIS N N 15 117.884 0.167 . . . . . . . 156 HIS N . 50398 1 671 . 1 . 1 75 75 ASN H H 1 7.867 0.002 . . . . . . . 157 ASN HN . 50398 1 672 . 1 . 1 75 75 ASN HA H 1 4.152 0.000 . . . . . . . 157 ASN HA . 50398 1 673 . 1 . 1 75 75 ASN HB2 H 1 2.637 0.000 . . . . . . . 157 ASN HB2 . 50398 1 674 . 1 . 1 75 75 ASN HB3 H 1 2.150 0.000 . . . . . . . 157 ASN HB3 . 50398 1 675 . 1 . 1 75 75 ASN HD21 H 1 7.608 0.004 . . . . . . . 157 ASN HD21 . 50398 1 676 . 1 . 1 75 75 ASN HD22 H 1 7.482 0.014 . . . . . . . 157 ASN HD22 . 50398 1 677 . 1 . 1 75 75 ASN CA C 13 57.797 0.000 . . . . . . . 157 ASN CA . 50398 1 678 . 1 . 1 75 75 ASN CB C 13 40.649 0.015 . . . . . . . 157 ASN CB . 50398 1 679 . 1 . 1 75 75 ASN N N 15 117.203 0.109 . . . . . . . 157 ASN N . 50398 1 680 . 1 . 1 75 75 ASN ND2 N 15 113.003 0.168 . . . . . . . 157 ASN ND2 . 50398 1 681 . 1 . 1 76 76 LEU H H 1 7.752 0.016 . . . . . . . 158 LEU HN . 50398 1 682 . 1 . 1 76 76 LEU HA H 1 3.632 0.012 . . . . . . . 158 LEU HA . 50398 1 683 . 1 . 1 76 76 LEU HB2 H 1 -0.283 0.000 . . . . . . . 158 LEU HB2 . 50398 1 684 . 1 . 1 76 76 LEU HB3 H 1 0.949 0.000 . . . . . . . 158 LEU HB3 . 50398 1 685 . 1 . 1 76 76 LEU HG H 1 -0.641 0.000 . . . . . . . 158 LEU HG . 50398 1 686 . 1 . 1 76 76 LEU HD11 H 1 -0.597 0.000 . . . . . . . 158 LEU QD1 . 50398 1 687 . 1 . 1 76 76 LEU HD12 H 1 -0.597 0.000 . . . . . . . 158 LEU QD1 . 50398 1 688 . 1 . 1 76 76 LEU HD13 H 1 -0.597 0.000 . . . . . . . 158 LEU QD1 . 50398 1 689 . 1 . 1 76 76 LEU CA C 13 57.555 0.081 . . . . . . . 158 LEU CA . 50398 1 690 . 1 . 1 76 76 LEU CB C 13 40.463 0.018 . . . . . . . 158 LEU CB . 50398 1 691 . 1 . 1 76 76 LEU CG C 13 25.232 0.000 . . . . . . . 158 LEU CG . 50398 1 692 . 1 . 1 76 76 LEU CD1 C 13 21.529 0.000 . . . . . . . 158 LEU CD1 . 50398 1 693 . 1 . 1 76 76 LEU N N 15 119.542 0.129 . . . . . . . 158 LEU N . 50398 1 694 . 1 . 1 77 77 SER H H 1 7.035 0.024 . . . . . . . 159 SER HN . 50398 1 695 . 1 . 1 77 77 SER HA H 1 4.349 0.000 . . . . . . . 159 SER HA . 50398 1 696 . 1 . 1 77 77 SER HB2 H 1 3.924 0.005 . . . . . . . 159 SER QB . 50398 1 697 . 1 . 1 77 77 SER HB3 H 1 3.924 0.005 . . . . . . . 159 SER QB . 50398 1 698 . 1 . 1 77 77 SER CA C 13 60.078 0.021 . . . . . . . 159 SER CA . 50398 1 699 . 1 . 1 77 77 SER CB C 13 64.048 0.035 . . . . . . . 159 SER CB . 50398 1 700 . 1 . 1 77 77 SER N N 15 109.366 0.027 . . . . . . . 159 SER N . 50398 1 701 . 1 . 1 78 78 LEU H H 1 7.401 0.031 . . . . . . . 160 LEU HN . 50398 1 702 . 1 . 1 78 78 LEU HA H 1 4.167 0.000 . . . . . . . 160 LEU HA . 50398 1 703 . 1 . 1 78 78 LEU HB2 H 1 1.172 0.000 . . . . . . . 160 LEU HB2 . 50398 1 704 . 1 . 1 78 78 LEU HB3 H 1 1.396 0.000 . . . . . . . 160 LEU HB3 . 50398 1 705 . 1 . 1 78 78 LEU HG H 1 1.251 0.000 . . . . . . . 160 LEU HG . 50398 1 706 . 1 . 1 78 78 LEU HD11 H 1 0.630 0.000 . . . . . . . 160 LEU QD1 . 50398 1 707 . 1 . 1 78 78 LEU HD12 H 1 0.630 0.000 . . . . . . . 160 LEU QD1 . 50398 1 708 . 1 . 1 78 78 LEU HD13 H 1 0.630 0.000 . . . . . . . 160 LEU QD1 . 50398 1 709 . 1 . 1 78 78 LEU HD21 H 1 0.595 0.000 . . . . . . . 160 LEU QD2 . 50398 1 710 . 1 . 1 78 78 LEU HD22 H 1 0.595 0.000 . . . . . . . 160 LEU QD2 . 50398 1 711 . 1 . 1 78 78 LEU HD23 H 1 0.595 0.000 . . . . . . . 160 LEU QD2 . 50398 1 712 . 1 . 1 78 78 LEU CA C 13 55.738 0.000 . . . . . . . 160 LEU CA . 50398 1 713 . 1 . 1 78 78 LEU CB C 13 43.474 0.015 . . . . . . . 160 LEU CB . 50398 1 714 . 1 . 1 78 78 LEU CG C 13 26.205 0.000 . . . . . . . 160 LEU CG . 50398 1 715 . 1 . 1 78 78 LEU CD1 C 13 24.243 0.000 . . . . . . . 160 LEU CD1 . 50398 1 716 . 1 . 1 78 78 LEU CD2 C 13 23.769 0.000 . . . . . . . 160 LEU CD2 . 50398 1 717 . 1 . 1 78 78 LEU N N 15 121.051 0.134 . . . . . . . 160 LEU N . 50398 1 718 . 1 . 1 79 79 HIS H H 1 8.358 0.000 . . . . . . . 161 HIS HN . 50398 1 719 . 1 . 1 79 79 HIS HA H 1 4.636 0.000 . . . . . . . 161 HIS HA . 50398 1 720 . 1 . 1 79 79 HIS HB2 H 1 3.067 0.000 . . . . . . . 161 HIS HB2 . 50398 1 721 . 1 . 1 79 79 HIS HB3 H 1 3.189 0.000 . . . . . . . 161 HIS HB3 . 50398 1 722 . 1 . 1 79 79 HIS CA C 13 56.980 0.000 . . . . . . . 161 HIS CA . 50398 1 723 . 1 . 1 79 79 HIS CB C 13 31.055 0.000 . . . . . . . 161 HIS CB . 50398 1 724 . 1 . 1 79 79 HIS N N 15 123.265 0.000 . . . . . . . 161 HIS N . 50398 1 725 . 1 . 1 80 80 SER HB2 H 1 3.906 0.001 . . . . . . . 162 SER HB2 . 50398 1 726 . 1 . 1 80 80 SER HB3 H 1 3.907 0.000 . . . . . . . 162 SER HB3 . 50398 1 727 . 1 . 1 80 80 SER CA C 13 59.867 0.000 . . . . . . . 162 SER CA . 50398 1 728 . 1 . 1 80 80 SER CB C 13 62.802 0.071 . . . . . . . 162 SER CB . 50398 1 729 . 1 . 1 81 81 LYS H H 1 7.743 0.007 . . . . . . . 163 LYS HN . 50398 1 730 . 1 . 1 81 81 LYS HA H 1 4.080 0.000 . . . . . . . 163 LYS HA . 50398 1 731 . 1 . 1 81 81 LYS HB2 H 1 1.381 0.000 . . . . . . . 163 LYS HB2 . 50398 1 732 . 1 . 1 81 81 LYS HB3 H 1 0.962 0.000 . . . . . . . 163 LYS HB3 . 50398 1 733 . 1 . 1 81 81 LYS CA C 13 57.724 0.000 . . . . . . . 163 LYS CA . 50398 1 734 . 1 . 1 81 81 LYS CB C 13 32.480 0.005 . . . . . . . 163 LYS CB . 50398 1 735 . 1 . 1 81 81 LYS N N 15 119.122 0.056 . . . . . . . 163 LYS N . 50398 1 736 . 1 . 1 82 82 PHE H H 1 7.893 0.031 . . . . . . . 164 PHE HN . 50398 1 737 . 1 . 1 82 82 PHE HA H 1 5.576 0.003 . . . . . . . 164 PHE HA . 50398 1 738 . 1 . 1 82 82 PHE HB2 H 1 3.281 0.009 . . . . . . . 164 PHE QB . 50398 1 739 . 1 . 1 82 82 PHE HB3 H 1 3.281 0.009 . . . . . . . 164 PHE QB . 50398 1 740 . 1 . 1 82 82 PHE HZ H 1 7.384 0.000 . . . . . . . 164 PHE HZ . 50398 1 741 . 1 . 1 82 82 PHE CA C 13 55.765 0.039 . . . . . . . 164 PHE CA . 50398 1 742 . 1 . 1 82 82 PHE CB C 13 41.188 0.004 . . . . . . . 164 PHE CB . 50398 1 743 . 1 . 1 82 82 PHE CZ C 13 129.140 0.000 . . . . . . . 164 PHE CZ . 50398 1 744 . 1 . 1 82 82 PHE N N 15 118.820 0.067 . . . . . . . 164 PHE N . 50398 1 745 . 1 . 1 83 83 ILE H H 1 9.223 0.009 . . . . . . . 165 ILE HN . 50398 1 746 . 1 . 1 83 83 ILE HA H 1 4.681 0.002 . . . . . . . 165 ILE HA . 50398 1 747 . 1 . 1 83 83 ILE HB H 1 1.589 0.006 . . . . . . . 165 ILE HB . 50398 1 748 . 1 . 1 83 83 ILE HG12 H 1 0.839 0.000 . . . . . . . 165 ILE HG12 . 50398 1 749 . 1 . 1 83 83 ILE HG13 H 1 1.361 0.000 . . . . . . . 165 ILE HG13 . 50398 1 750 . 1 . 1 83 83 ILE HG21 H 1 0.752 0.000 . . . . . . . 165 ILE QG2 . 50398 1 751 . 1 . 1 83 83 ILE HG22 H 1 0.752 0.000 . . . . . . . 165 ILE QG2 . 50398 1 752 . 1 . 1 83 83 ILE HG23 H 1 0.752 0.000 . . . . . . . 165 ILE QG2 . 50398 1 753 . 1 . 1 83 83 ILE HD11 H 1 0.758 0.000 . . . . . . . 165 ILE QD1 . 50398 1 754 . 1 . 1 83 83 ILE HD12 H 1 0.758 0.000 . . . . . . . 165 ILE QD1 . 50398 1 755 . 1 . 1 83 83 ILE HD13 H 1 0.758 0.000 . . . . . . . 165 ILE QD1 . 50398 1 756 . 1 . 1 83 83 ILE CA C 13 59.388 0.027 . . . . . . . 165 ILE CA . 50398 1 757 . 1 . 1 83 83 ILE CB C 13 42.135 0.007 . . . . . . . 165 ILE CB . 50398 1 758 . 1 . 1 83 83 ILE CG1 C 13 27.010 0.007 . . . . . . . 165 ILE CG1 . 50398 1 759 . 1 . 1 83 83 ILE CG2 C 13 17.555 0.000 . . . . . . . 165 ILE CG2 . 50398 1 760 . 1 . 1 83 83 ILE CD1 C 13 13.832 0.000 . . . . . . . 165 ILE CD1 . 50398 1 761 . 1 . 1 83 83 ILE N N 15 118.999 0.062 . . . . . . . 165 ILE N . 50398 1 762 . 1 . 1 84 84 LYS H H 1 7.944 0.015 . . . . . . . 166 LYS HN . 50398 1 763 . 1 . 1 84 84 LYS HA H 1 4.151 0.010 . . . . . . . 166 LYS HA . 50398 1 764 . 1 . 1 84 84 LYS HB2 H 1 0.856 0.000 . . . . . . . 166 LYS QB . 50398 1 765 . 1 . 1 84 84 LYS HB3 H 1 0.856 0.000 . . . . . . . 166 LYS QB . 50398 1 766 . 1 . 1 84 84 LYS HG2 H 1 0.305 0.015 . . . . . . . 166 LYS HG2 . 50398 1 767 . 1 . 1 84 84 LYS HG3 H 1 0.120 0.011 . . . . . . . 166 LYS HG3 . 50398 1 768 . 1 . 1 84 84 LYS CA C 13 54.557 0.072 . . . . . . . 166 LYS CA . 50398 1 769 . 1 . 1 84 84 LYS CB C 13 32.620 0.021 . . . . . . . 166 LYS CB . 50398 1 770 . 1 . 1 84 84 LYS CG C 13 24.101 0.034 . . . . . . . 166 LYS CG . 50398 1 771 . 1 . 1 84 84 LYS N N 15 125.453 0.071 . . . . . . . 166 LYS N . 50398 1 772 . 1 . 1 85 85 VAL H H 1 8.894 0.018 . . . . . . . 167 VAL HN . 50398 1 773 . 1 . 1 85 85 VAL HA H 1 4.062 0.000 . . . . . . . 167 VAL HA . 50398 1 774 . 1 . 1 85 85 VAL HB H 1 1.775 0.000 . . . . . . . 167 VAL HB . 50398 1 775 . 1 . 1 85 85 VAL HG11 H 1 0.749 0.000 . . . . . . . 167 VAL QG1 . 50398 1 776 . 1 . 1 85 85 VAL HG12 H 1 0.749 0.000 . . . . . . . 167 VAL QG1 . 50398 1 777 . 1 . 1 85 85 VAL HG13 H 1 0.749 0.000 . . . . . . . 167 VAL QG1 . 50398 1 778 . 1 . 1 85 85 VAL HG21 H 1 0.847 0.000 . . . . . . . 167 VAL QG2 . 50398 1 779 . 1 . 1 85 85 VAL HG22 H 1 0.847 0.000 . . . . . . . 167 VAL QG2 . 50398 1 780 . 1 . 1 85 85 VAL HG23 H 1 0.847 0.000 . . . . . . . 167 VAL QG2 . 50398 1 781 . 1 . 1 85 85 VAL CA C 13 61.042 0.000 . . . . . . . 167 VAL CA . 50398 1 782 . 1 . 1 85 85 VAL CB C 13 34.611 0.000 . . . . . . . 167 VAL CB . 50398 1 783 . 1 . 1 85 85 VAL CG1 C 13 20.886 0.000 . . . . . . . 167 VAL CG1 . 50398 1 784 . 1 . 1 85 85 VAL CG2 C 13 20.902 0.000 . . . . . . . 167 VAL CG2 . 50398 1 785 . 1 . 1 85 85 VAL N N 15 126.635 0.141 . . . . . . . 167 VAL N . 50398 1 786 . 1 . 1 86 86 HIS H H 1 8.367 0.036 . . . . . . . 168 HIS HN . 50398 1 787 . 1 . 1 86 86 HIS HA H 1 4.327 0.000 . . . . . . . 168 HIS HA . 50398 1 788 . 1 . 1 86 86 HIS HB2 H 1 2.876 0.000 . . . . . . . 168 HIS HB2 . 50398 1 789 . 1 . 1 86 86 HIS HB3 H 1 2.817 0.000 . . . . . . . 168 HIS HB3 . 50398 1 790 . 1 . 1 86 86 HIS CA C 13 56.819 0.000 . . . . . . . 168 HIS CA . 50398 1 791 . 1 . 1 86 86 HIS CB C 13 31.333 0.005 . . . . . . . 168 HIS CB . 50398 1 792 . 1 . 1 86 86 HIS N N 15 124.477 0.149 . . . . . . . 168 HIS N . 50398 1 793 . 1 . 1 87 87 ASN H H 1 8.340 0.000 . . . . . . . 169 ASN HN . 50398 1 794 . 1 . 1 87 87 ASN HA H 1 4.457 0.012 . . . . . . . 169 ASN HA . 50398 1 795 . 1 . 1 87 87 ASN HB2 H 1 1.975 0.006 . . . . . . . 169 ASN HB2 . 50398 1 796 . 1 . 1 87 87 ASN HB3 H 1 2.529 0.002 . . . . . . . 169 ASN HB3 . 50398 1 797 . 1 . 1 87 87 ASN HD21 H 1 6.758 0.008 . . . . . . . 169 ASN HD21 . 50398 1 798 . 1 . 1 87 87 ASN HD22 H 1 6.443 0.000 . . . . . . . 169 ASN HD22 . 50398 1 799 . 1 . 1 87 87 ASN CA C 13 52.436 0.084 . . . . . . . 169 ASN CA . 50398 1 800 . 1 . 1 87 87 ASN CB C 13 38.889 0.025 . . . . . . . 169 ASN CB . 50398 1 801 . 1 . 1 87 87 ASN N N 15 122.891 0.056 . . . . . . . 169 ASN N . 50398 1 802 . 1 . 1 87 87 ASN ND2 N 15 112.004 0.006 . . . . . . . 169 ASN ND2 . 50398 1 803 . 1 . 1 88 88 GLU H H 1 8.626 0.017 . . . . . . . 170 GLU HN . 50398 1 804 . 1 . 1 88 88 GLU HA H 1 3.973 0.009 . . . . . . . 170 GLU HA . 50398 1 805 . 1 . 1 88 88 GLU HB2 H 1 1.925 0.000 . . . . . . . 170 GLU HB2 . 50398 1 806 . 1 . 1 88 88 GLU HB3 H 1 1.998 0.023 . . . . . . . 170 GLU HB3 . 50398 1 807 . 1 . 1 88 88 GLU HG2 H 1 2.237 0.000 . . . . . . . 170 GLU QG . 50398 1 808 . 1 . 1 88 88 GLU HG3 H 1 2.237 0.000 . . . . . . . 170 GLU QG . 50398 1 809 . 1 . 1 88 88 GLU CA C 13 57.905 0.038 . . . . . . . 170 GLU CA . 50398 1 810 . 1 . 1 88 88 GLU CB C 13 29.487 0.052 . . . . . . . 170 GLU CB . 50398 1 811 . 1 . 1 88 88 GLU CG C 13 36.211 0.007 . . . . . . . 170 GLU CG . 50398 1 812 . 1 . 1 88 88 GLU N N 15 123.676 0.020 . . . . . . . 170 GLU N . 50398 1 813 . 1 . 1 89 89 ALA H H 1 8.198 0.016 . . . . . . . 171 ALA HN . 50398 1 814 . 1 . 1 89 89 ALA HA H 1 4.225 0.000 . . . . . . . 171 ALA HA . 50398 1 815 . 1 . 1 89 89 ALA HB1 H 1 1.311 0.000 . . . . . . . 171 ALA HB . 50398 1 816 . 1 . 1 89 89 ALA HB2 H 1 1.311 0.000 . . . . . . . 171 ALA HB . 50398 1 817 . 1 . 1 89 89 ALA HB3 H 1 1.311 0.000 . . . . . . . 171 ALA HB . 50398 1 818 . 1 . 1 89 89 ALA CA C 13 52.833 0.000 . . . . . . . 171 ALA CA . 50398 1 819 . 1 . 1 89 89 ALA CB C 13 19.093 0.000 . . . . . . . 171 ALA CB . 50398 1 820 . 1 . 1 89 89 ALA N N 15 122.281 0.047 . . . . . . . 171 ALA N . 50398 1 821 . 1 . 1 90 90 THR H H 1 7.711 0.010 . . . . . . . 172 THR HN . 50398 1 822 . 1 . 1 90 90 THR HA H 1 4.105 0.001 . . . . . . . 172 THR HA . 50398 1 823 . 1 . 1 90 90 THR HB H 1 4.098 0.006 . . . . . . . 172 THR HB . 50398 1 824 . 1 . 1 90 90 THR HG21 H 1 1.049 0.008 . . . . . . . 172 THR QG2 . 50398 1 825 . 1 . 1 90 90 THR HG22 H 1 1.049 0.008 . . . . . . . 172 THR QG2 . 50398 1 826 . 1 . 1 90 90 THR HG23 H 1 1.049 0.008 . . . . . . . 172 THR QG2 . 50398 1 827 . 1 . 1 90 90 THR CA C 13 62.438 0.052 . . . . . . . 172 THR CA . 50398 1 828 . 1 . 1 90 90 THR CB C 13 69.519 0.022 . . . . . . . 172 THR CB . 50398 1 829 . 1 . 1 90 90 THR CG2 C 13 21.379 0.062 . . . . . . . 172 THR CG2 . 50398 1 830 . 1 . 1 90 90 THR N N 15 111.607 0.040 . . . . . . . 172 THR N . 50398 1 831 . 1 . 1 91 91 GLY H H 1 8.325 0.009 . . . . . . . 173 GLY HN . 50398 1 832 . 1 . 1 91 91 GLY HA2 H 1 3.981 0.012 . . . . . . . 173 GLY HA1 . 50398 1 833 . 1 . 1 91 91 GLY HA3 H 1 3.721 0.004 . . . . . . . 173 GLY HA2 . 50398 1 834 . 1 . 1 91 91 GLY CA C 13 45.639 0.087 . . . . . . . 173 GLY CA . 50398 1 835 . 1 . 1 91 91 GLY N N 15 112.001 0.004 . . . . . . . 173 GLY N . 50398 1 836 . 1 . 1 92 92 LYS H H 1 7.730 0.006 . . . . . . . 174 LYS HN . 50398 1 837 . 1 . 1 92 92 LYS CA C 13 55.258 0.000 . . . . . . . 174 LYS CA . 50398 1 838 . 1 . 1 92 92 LYS CB C 13 32.962 0.000 . . . . . . . 174 LYS CB . 50398 1 839 . 1 . 1 92 92 LYS N N 15 119.151 0.072 . . . . . . . 174 LYS N . 50398 1 840 . 1 . 1 93 93 SER HA H 1 4.356 0.004 . . . . . . . 175 SER HA . 50398 1 841 . 1 . 1 93 93 SER HB2 H 1 3.609 0.027 . . . . . . . 175 SER HB2 . 50398 1 842 . 1 . 1 93 93 SER HB3 H 1 3.653 0.017 . . . . . . . 175 SER HB3 . 50398 1 843 . 1 . 1 93 93 SER CA C 13 58.185 0.024 . . . . . . . 175 SER CA . 50398 1 844 . 1 . 1 93 93 SER CB C 13 63.703 0.020 . . . . . . . 175 SER CB . 50398 1 845 . 1 . 1 94 94 SER H H 1 7.966 0.020 . . . . . . . 176 SER HN . 50398 1 846 . 1 . 1 94 94 SER HA H 1 4.183 0.000 . . . . . . . 176 SER HA . 50398 1 847 . 1 . 1 94 94 SER HB2 H 1 3.260 0.000 . . . . . . . 176 SER HB2 . 50398 1 848 . 1 . 1 94 94 SER HB3 H 1 3.383 0.000 . . . . . . . 176 SER HB3 . 50398 1 849 . 1 . 1 94 94 SER CA C 13 58.774 0.000 . . . . . . . 176 SER CA . 50398 1 850 . 1 . 1 94 94 SER CB C 13 63.970 0.016 . . . . . . . 176 SER CB . 50398 1 851 . 1 . 1 94 94 SER N N 15 116.390 0.023 . . . . . . . 176 SER N . 50398 1 852 . 1 . 1 95 95 TRP H H 1 8.274 0.002 . . . . . . . 177 TRP HN . 50398 1 853 . 1 . 1 95 95 TRP HA H 1 4.590 0.001 . . . . . . . 177 TRP HA . 50398 1 854 . 1 . 1 95 95 TRP HB2 H 1 2.778 0.003 . . . . . . . 177 TRP HB2 . 50398 1 855 . 1 . 1 95 95 TRP HB3 H 1 2.880 0.005 . . . . . . . 177 TRP HB3 . 50398 1 856 . 1 . 1 95 95 TRP HD1 H 1 6.857 0.000 . . . . . . . 177 TRP HD1 . 50398 1 857 . 1 . 1 95 95 TRP HE1 H 1 10.189 0.004 . . . . . . . 177 TRP HE1 . 50398 1 858 . 1 . 1 95 95 TRP HE3 H 1 7.141 0.000 . . . . . . . 177 TRP HE3 . 50398 1 859 . 1 . 1 95 95 TRP HZ2 H 1 7.358 0.000 . . . . . . . 177 TRP HZ2 . 50398 1 860 . 1 . 1 95 95 TRP HZ3 H 1 7.198 0.000 . . . . . . . 177 TRP HZ3 . 50398 1 861 . 1 . 1 95 95 TRP HH2 H 1 7.146 0.000 . . . . . . . 177 TRP HH2 . 50398 1 862 . 1 . 1 95 95 TRP CA C 13 56.384 0.046 . . . . . . . 177 TRP CA . 50398 1 863 . 1 . 1 95 95 TRP CB C 13 32.417 0.026 . . . . . . . 177 TRP CB . 50398 1 864 . 1 . 1 95 95 TRP CD1 C 13 126.641 0.000 . . . . . . . 177 TRP CD1 . 50398 1 865 . 1 . 1 95 95 TRP CE3 C 13 119.801 0.000 . . . . . . . 177 TRP CE3 . 50398 1 866 . 1 . 1 95 95 TRP CZ2 C 13 114.891 0.000 . . . . . . . 177 TRP CZ2 . 50398 1 867 . 1 . 1 95 95 TRP CZ3 C 13 122.536 0.000 . . . . . . . 177 TRP CZ3 . 50398 1 868 . 1 . 1 95 95 TRP CH2 C 13 124.713 0.000 . . . . . . . 177 TRP CH2 . 50398 1 869 . 1 . 1 95 95 TRP N N 15 120.141 0.035 . . . . . . . 177 TRP N . 50398 1 870 . 1 . 1 95 95 TRP NE1 N 15 129.838 0.008 . . . . . . . 177 TRP NE1 . 50398 1 871 . 1 . 1 96 96 TRP H H 1 9.096 0.005 . . . . . . . 178 TRP HN . 50398 1 872 . 1 . 1 96 96 TRP HA H 1 5.224 0.000 . . . . . . . 178 TRP HA . 50398 1 873 . 1 . 1 96 96 TRP HB2 H 1 2.760 0.001 . . . . . . . 178 TRP HB2 . 50398 1 874 . 1 . 1 96 96 TRP HB3 H 1 2.877 0.002 . . . . . . . 178 TRP HB3 . 50398 1 875 . 1 . 1 96 96 TRP HD1 H 1 6.789 0.000 . . . . . . . 178 TRP HD1 . 50398 1 876 . 1 . 1 96 96 TRP HE1 H 1 9.705 0.005 . . . . . . . 178 TRP HE1 . 50398 1 877 . 1 . 1 96 96 TRP HE3 H 1 7.232 0.000 . . . . . . . 178 TRP HE3 . 50398 1 878 . 1 . 1 96 96 TRP HZ2 H 1 7.248 0.000 . . . . . . . 178 TRP HZ2 . 50398 1 879 . 1 . 1 96 96 TRP HZ3 H 1 6.870 0.000 . . . . . . . 178 TRP HZ3 . 50398 1 880 . 1 . 1 96 96 TRP HH2 H 1 6.940 0.000 . . . . . . . 178 TRP HH2 . 50398 1 881 . 1 . 1 96 96 TRP CA C 13 56.836 0.041 . . . . . . . 178 TRP CA . 50398 1 882 . 1 . 1 96 96 TRP CB C 13 30.777 0.014 . . . . . . . 178 TRP CB . 50398 1 883 . 1 . 1 96 96 TRP CD1 C 13 125.336 0.000 . . . . . . . 178 TRP CD1 . 50398 1 884 . 1 . 1 96 96 TRP CE3 C 13 120.615 0.000 . . . . . . . 178 TRP CE3 . 50398 1 885 . 1 . 1 96 96 TRP CZ2 C 13 114.030 0.000 . . . . . . . 178 TRP CZ2 . 50398 1 886 . 1 . 1 96 96 TRP CZ3 C 13 122.458 0.000 . . . . . . . 178 TRP CZ3 . 50398 1 887 . 1 . 1 96 96 TRP CH2 C 13 124.182 0.000 . . . . . . . 178 TRP CH2 . 50398 1 888 . 1 . 1 96 96 TRP N N 15 121.627 0.010 . . . . . . . 178 TRP N . 50398 1 889 . 1 . 1 96 96 TRP NE1 N 15 126.846 0.057 . . . . . . . 178 TRP NE1 . 50398 1 890 . 1 . 1 97 97 MET H H 1 9.129 0.008 . . . . . . . 179 MET HN . 50398 1 891 . 1 . 1 97 97 MET HA H 1 4.979 0.004 . . . . . . . 179 MET HA . 50398 1 892 . 1 . 1 97 97 MET HB2 H 1 1.923 0.008 . . . . . . . 179 MET HB2 . 50398 1 893 . 1 . 1 97 97 MET HB3 H 1 2.237 0.006 . . . . . . . 179 MET HB3 . 50398 1 894 . 1 . 1 97 97 MET HG2 H 1 2.683 0.001 . . . . . . . 179 MET HG2 . 50398 1 895 . 1 . 1 97 97 MET HG3 H 1 2.183 0.000 . . . . . . . 179 MET HG3 . 50398 1 896 . 1 . 1 97 97 MET CA C 13 54.265 0.048 . . . . . . . 179 MET CA . 50398 1 897 . 1 . 1 97 97 MET CB C 13 37.917 0.033 . . . . . . . 179 MET CB . 50398 1 898 . 1 . 1 97 97 MET CG C 13 31.686 0.024 . . . . . . . 179 MET CG . 50398 1 899 . 1 . 1 97 97 MET N N 15 117.626 0.027 . . . . . . . 179 MET N . 50398 1 900 . 1 . 1 98 98 LEU H H 1 9.117 0.012 . . . . . . . 180 LEU HN . 50398 1 901 . 1 . 1 98 98 LEU HA H 1 4.865 0.000 . . . . . . . 180 LEU HA . 50398 1 902 . 1 . 1 98 98 LEU HB2 H 1 1.362 0.000 . . . . . . . 180 LEU HB2 . 50398 1 903 . 1 . 1 98 98 LEU HB3 H 1 1.628 0.000 . . . . . . . 180 LEU HB3 . 50398 1 904 . 1 . 1 98 98 LEU HG H 1 1.698 0.000 . . . . . . . 180 LEU HG . 50398 1 905 . 1 . 1 98 98 LEU HD11 H 1 0.913 0.000 . . . . . . . 180 LEU QD1 . 50398 1 906 . 1 . 1 98 98 LEU HD12 H 1 0.913 0.000 . . . . . . . 180 LEU QD1 . 50398 1 907 . 1 . 1 98 98 LEU HD13 H 1 0.913 0.000 . . . . . . . 180 LEU QD1 . 50398 1 908 . 1 . 1 98 98 LEU HD21 H 1 0.909 0.000 . . . . . . . 180 LEU QD2 . 50398 1 909 . 1 . 1 98 98 LEU HD22 H 1 0.909 0.000 . . . . . . . 180 LEU QD2 . 50398 1 910 . 1 . 1 98 98 LEU HD23 H 1 0.909 0.000 . . . . . . . 180 LEU QD2 . 50398 1 911 . 1 . 1 98 98 LEU CA C 13 54.684 0.000 . . . . . . . 180 LEU CA . 50398 1 912 . 1 . 1 98 98 LEU CB C 13 41.828 0.003 . . . . . . . 180 LEU CB . 50398 1 913 . 1 . 1 98 98 LEU CG C 13 27.729 0.000 . . . . . . . 180 LEU CG . 50398 1 914 . 1 . 1 98 98 LEU CD1 C 13 25.383 0.000 . . . . . . . 180 LEU CD1 . 50398 1 915 . 1 . 1 98 98 LEU CD2 C 13 24.271 0.000 . . . . . . . 180 LEU CD2 . 50398 1 916 . 1 . 1 98 98 LEU N N 15 120.598 0.046 . . . . . . . 180 LEU N . 50398 1 917 . 1 . 1 99 99 ASN H H 1 8.592 0.044 . . . . . . . 181 ASN HN . 50398 1 918 . 1 . 1 99 99 ASN HA H 1 4.592 0.000 . . . . . . . 181 ASN HA . 50398 1 919 . 1 . 1 99 99 ASN HB2 H 1 2.899 0.000 . . . . . . . 181 ASN HB2 . 50398 1 920 . 1 . 1 99 99 ASN HB3 H 1 2.357 0.000 . . . . . . . 181 ASN HB3 . 50398 1 921 . 1 . 1 99 99 ASN HD21 H 1 7.597 0.014 . . . . . . . 181 ASN HD21 . 50398 1 922 . 1 . 1 99 99 ASN HD22 H 1 7.013 0.000 . . . . . . . 181 ASN HD22 . 50398 1 923 . 1 . 1 99 99 ASN CA C 13 50.529 0.000 . . . . . . . 181 ASN CA . 50398 1 924 . 1 . 1 99 99 ASN CB C 13 39.143 0.008 . . . . . . . 181 ASN CB . 50398 1 925 . 1 . 1 99 99 ASN N N 15 121.672 0.089 . . . . . . . 181 ASN N . 50398 1 926 . 1 . 1 99 99 ASN ND2 N 15 112.128 0.011 . . . . . . . 181 ASN ND2 . 50398 1 927 . 1 . 1 100 100 PRO HA H 1 4.332 0.004 . . . . . . . 182 PRO HA . 50398 1 928 . 1 . 1 100 100 PRO HB2 H 1 2.200 0.004 . . . . . . . 182 PRO HB2 . 50398 1 929 . 1 . 1 100 100 PRO HB3 H 1 1.931 0.002 . . . . . . . 182 PRO HB3 . 50398 1 930 . 1 . 1 100 100 PRO CA C 13 63.781 0.042 . . . . . . . 182 PRO CA . 50398 1 931 . 1 . 1 100 100 PRO CB C 13 31.990 0.043 . . . . . . . 182 PRO CB . 50398 1 932 . 1 . 1 100 100 PRO CG C 13 27.008 0.000 . . . . . . . 182 PRO CG . 50398 1 933 . 1 . 1 100 100 PRO CD C 13 51.074 0.000 . . . . . . . 182 PRO CD . 50398 1 934 . 1 . 1 101 101 GLU H H 1 7.929 0.009 . . . . . . . 183 GLU HN . 50398 1 935 . 1 . 1 101 101 GLU HA H 1 4.170 0.001 . . . . . . . 183 GLU HA . 50398 1 936 . 1 . 1 101 101 GLU HB2 H 1 1.798 0.004 . . . . . . . 183 GLU HB2 . 50398 1 937 . 1 . 1 101 101 GLU HB3 H 1 2.010 0.001 . . . . . . . 183 GLU HB3 . 50398 1 938 . 1 . 1 101 101 GLU HG2 H 1 2.116 0.007 . . . . . . . 183 GLU HG2 . 50398 1 939 . 1 . 1 101 101 GLU HG3 H 1 2.188 0.000 . . . . . . . 183 GLU HG3 . 50398 1 940 . 1 . 1 101 101 GLU CA C 13 56.495 0.049 . . . . . . . 183 GLU CA . 50398 1 941 . 1 . 1 101 101 GLU CB C 13 29.692 0.104 . . . . . . . 183 GLU CB . 50398 1 942 . 1 . 1 101 101 GLU CG C 13 36.368 0.051 . . . . . . . 183 GLU CG . 50398 1 943 . 1 . 1 101 101 GLU N N 15 118.840 0.092 . . . . . . . 183 GLU N . 50398 1 944 . 1 . 1 102 102 GLY H H 1 8.030 0.009 . . . . . . . 184 GLY HN . 50398 1 945 . 1 . 1 102 102 GLY HA2 H 1 3.887 0.011 . . . . . . . 184 GLY QA . 50398 1 946 . 1 . 1 102 102 GLY HA3 H 1 3.887 0.011 . . . . . . . 184 GLY QA . 50398 1 947 . 1 . 1 102 102 GLY CA C 13 45.228 0.029 . . . . . . . 184 GLY CA . 50398 1 948 . 1 . 1 102 102 GLY N N 15 108.745 0.033 . . . . . . . 184 GLY N . 50398 1 949 . 1 . 1 103 103 GLY H H 1 8.192 0.022 . . . . . . . 185 GLY HN . 50398 1 950 . 1 . 1 103 103 GLY HA2 H 1 3.869 0.003 . . . . . . . 185 GLY HA1 . 50398 1 951 . 1 . 1 103 103 GLY HA3 H 1 3.872 0.000 . . . . . . . 185 GLY HA2 . 50398 1 952 . 1 . 1 103 103 GLY CA C 13 45.486 0.050 . . . . . . . 185 GLY CA . 50398 1 953 . 1 . 1 103 103 GLY N N 15 108.648 0.151 . . . . . . . 185 GLY N . 50398 1 954 . 1 . 1 104 104 LYS H H 1 8.066 0.020 . . . . . . . 186 LYS HN . 50398 1 955 . 1 . 1 104 104 LYS HA H 1 4.270 0.000 . . . . . . . 186 LYS HA . 50398 1 956 . 1 . 1 104 104 LYS HB2 H 1 1.306 0.004 . . . . . . . 186 LYS HB2 . 50398 1 957 . 1 . 1 104 104 LYS HB3 H 1 1.735 0.000 . . . . . . . 186 LYS HB3 . 50398 1 958 . 1 . 1 104 104 LYS CA C 13 56.418 0.019 . . . . . . . 186 LYS CA . 50398 1 959 . 1 . 1 104 104 LYS CB C 13 32.917 0.016 . . . . . . . 186 LYS CB . 50398 1 960 . 1 . 1 104 104 LYS N N 15 120.540 0.015 . . . . . . . 186 LYS N . 50398 1 961 . 1 . 1 105 105 SER H H 1 8.253 0.001 . . . . . . . 187 SER HN . 50398 1 962 . 1 . 1 105 105 SER CA C 13 58.528 0.000 . . . . . . . 187 SER CA . 50398 1 963 . 1 . 1 105 105 SER CB C 13 63.764 0.000 . . . . . . . 187 SER CB . 50398 1 964 . 1 . 1 105 105 SER N N 15 116.301 0.024 . . . . . . . 187 SER N . 50398 1 965 . 1 . 1 106 106 GLY H H 1 8.278 0.011 . . . . . . . 188 GLY HN . 50398 1 966 . 1 . 1 106 106 GLY HA2 H 1 3.877 0.005 . . . . . . . 188 GLY QA . 50398 1 967 . 1 . 1 106 106 GLY HA3 H 1 3.877 0.005 . . . . . . . 188 GLY QA . 50398 1 968 . 1 . 1 106 106 GLY CA C 13 45.353 0.002 . . . . . . . 188 GLY CA . 50398 1 969 . 1 . 1 106 106 GLY N N 15 110.569 0.209 . . . . . . . 188 GLY N . 50398 1 970 . 1 . 1 107 107 LYS H H 1 8.020 0.015 . . . . . . . 189 LYS HN . 50398 1 971 . 1 . 1 107 107 LYS HA H 1 4.237 0.006 . . . . . . . 189 LYS HA . 50398 1 972 . 1 . 1 107 107 LYS HB2 H 1 1.605 0.006 . . . . . . . 189 LYS HB2 . 50398 1 973 . 1 . 1 107 107 LYS HB3 H 1 1.721 0.016 . . . . . . . 189 LYS HB3 . 50398 1 974 . 1 . 1 107 107 LYS HD2 H 1 1.323 0.023 . . . . . . . 189 LYS QD . 50398 1 975 . 1 . 1 107 107 LYS HD3 H 1 1.323 0.023 . . . . . . . 189 LYS QD . 50398 1 976 . 1 . 1 107 107 LYS HE2 H 1 2.898 0.004 . . . . . . . 189 LYS QE . 50398 1 977 . 1 . 1 107 107 LYS HE3 H 1 2.898 0.004 . . . . . . . 189 LYS QE . 50398 1 978 . 1 . 1 107 107 LYS CA C 13 55.820 0.050 . . . . . . . 189 LYS CA . 50398 1 979 . 1 . 1 107 107 LYS CB C 13 33.130 0.026 . . . . . . . 189 LYS CB . 50398 1 980 . 1 . 1 107 107 LYS CG C 13 24.625 0.025 . . . . . . . 189 LYS CG . 50398 1 981 . 1 . 1 107 107 LYS CD C 13 28.960 0.000 . . . . . . . 189 LYS CD . 50398 1 982 . 1 . 1 107 107 LYS CE C 13 42.086 0.066 . . . . . . . 189 LYS CE . 50398 1 983 . 1 . 1 107 107 LYS N N 15 120.548 0.010 . . . . . . . 189 LYS N . 50398 1 984 . 1 . 1 108 108 ALA H H 1 8.210 0.011 . . . . . . . 190 ALA HN . 50398 1 985 . 1 . 1 108 108 ALA HA H 1 4.486 0.000 . . . . . . . 190 ALA HA . 50398 1 986 . 1 . 1 108 108 ALA CA C 13 50.474 0.000 . . . . . . . 190 ALA CA . 50398 1 987 . 1 . 1 108 108 ALA N N 15 126.593 0.018 . . . . . . . 190 ALA N . 50398 1 988 . 1 . 1 109 109 PRO HA H 1 4.327 0.008 . . . . . . . 191 PRO HA . 50398 1 989 . 1 . 1 109 109 PRO HB2 H 1 2.183 0.003 . . . . . . . 191 PRO HB2 . 50398 1 990 . 1 . 1 109 109 PRO HB3 H 1 1.788 0.006 . . . . . . . 191 PRO HB3 . 50398 1 991 . 1 . 1 109 109 PRO HD2 H 1 3.539 0.003 . . . . . . . 191 PRO HD2 . 50398 1 992 . 1 . 1 109 109 PRO CA C 13 62.772 0.049 . . . . . . . 191 PRO CA . 50398 1 993 . 1 . 1 109 109 PRO CB C 13 31.979 0.039 . . . . . . . 191 PRO CB . 50398 1 994 . 1 . 1 109 109 PRO CG C 13 27.291 0.000 . . . . . . . 191 PRO CG . 50398 1 995 . 1 . 1 109 109 PRO CD C 13 50.480 0.012 . . . . . . . 191 PRO CD . 50398 1 996 . 1 . 1 110 110 ARG H H 1 8.317 0.016 . . . . . . . 192 ARG HN . 50398 1 997 . 1 . 1 110 110 ARG N N 15 121.527 0.016 . . . . . . . 192 ARG N . 50398 1 998 . 1 . 1 111 111 ARG H H 1 8.334 0.017 . . . . . . . 193 ARG HN . 50398 1 999 . 1 . 1 111 111 ARG N N 15 122.978 0.069 . . . . . . . 193 ARG N . 50398 1 1000 . 1 . 1 112 112 ARG H H 1 8.350 0.021 . . . . . . . 194 ARG HN . 50398 1 1001 . 1 . 1 112 112 ARG HA H 1 4.218 0.005 . . . . . . . 194 ARG HA . 50398 1 1002 . 1 . 1 112 112 ARG HB2 H 1 1.689 0.008 . . . . . . . 194 ARG QB . 50398 1 1003 . 1 . 1 112 112 ARG HB3 H 1 1.689 0.008 . . . . . . . 194 ARG QB . 50398 1 1004 . 1 . 1 112 112 ARG HG2 H 1 1.571 0.022 . . . . . . . 194 ARG QG . 50398 1 1005 . 1 . 1 112 112 ARG HG3 H 1 1.571 0.022 . . . . . . . 194 ARG QG . 50398 1 1006 . 1 . 1 112 112 ARG HD2 H 1 3.120 0.004 . . . . . . . 194 ARG QD . 50398 1 1007 . 1 . 1 112 112 ARG HD3 H 1 3.120 0.004 . . . . . . . 194 ARG QD . 50398 1 1008 . 1 . 1 112 112 ARG CA C 13 56.038 0.065 . . . . . . . 194 ARG CA . 50398 1 1009 . 1 . 1 112 112 ARG CB C 13 30.775 0.066 . . . . . . . 194 ARG CB . 50398 1 1010 . 1 . 1 112 112 ARG CG C 13 27.053 0.043 . . . . . . . 194 ARG CG . 50398 1 1011 . 1 . 1 112 112 ARG CD C 13 43.361 0.061 . . . . . . . 194 ARG CD . 50398 1 1012 . 1 . 1 112 112 ARG N N 15 123.089 0.234 . . . . . . . 194 ARG N . 50398 1 1013 . 1 . 1 113 113 ALA H H 1 8.258 0.073 . . . . . . . 195 ALA HN . 50398 1 1014 . 1 . 1 113 113 ALA HA H 1 4.206 0.000 . . . . . . . 195 ALA HA . 50398 1 1015 . 1 . 1 113 113 ALA HB1 H 1 1.300 0.006 . . . . . . . 195 ALA HB . 50398 1 1016 . 1 . 1 113 113 ALA HB2 H 1 1.300 0.006 . . . . . . . 195 ALA HB . 50398 1 1017 . 1 . 1 113 113 ALA HB3 H 1 1.300 0.006 . . . . . . . 195 ALA HB . 50398 1 1018 . 1 . 1 113 113 ALA CA C 13 52.432 0.020 . . . . . . . 195 ALA CA . 50398 1 1019 . 1 . 1 113 113 ALA CB C 13 19.155 0.080 . . . . . . . 195 ALA CB . 50398 1 1020 . 1 . 1 113 113 ALA N N 15 125.720 0.446 . . . . . . . 195 ALA N . 50398 1 1021 . 1 . 1 114 114 ALA H H 1 8.258 0.014 . . . . . . . 196 ALA HN . 50398 1 1022 . 1 . 1 114 114 ALA HA H 1 4.217 0.016 . . . . . . . 196 ALA HA . 50398 1 1023 . 1 . 1 114 114 ALA HB1 H 1 1.318 0.016 . . . . . . . 196 ALA HB . 50398 1 1024 . 1 . 1 114 114 ALA HB2 H 1 1.318 0.016 . . . . . . . 196 ALA HB . 50398 1 1025 . 1 . 1 114 114 ALA HB3 H 1 1.318 0.016 . . . . . . . 196 ALA HB . 50398 1 1026 . 1 . 1 114 114 ALA CA C 13 52.488 0.066 . . . . . . . 196 ALA CA . 50398 1 1027 . 1 . 1 114 114 ALA CB C 13 19.074 0.062 . . . . . . . 196 ALA CB . 50398 1 1028 . 1 . 1 114 114 ALA N N 15 123.522 0.040 . . . . . . . 196 ALA N . 50398 1 1029 . 1 . 1 115 115 SER H H 1 8.141 0.016 . . . . . . . 197 SER HN . 50398 1 1030 . 1 . 1 115 115 SER HA H 1 4.316 0.000 . . . . . . . 197 SER HA . 50398 1 1031 . 1 . 1 115 115 SER HB2 H 1 3.789 0.000 . . . . . . . 197 SER HB2 . 50398 1 1032 . 1 . 1 115 115 SER CA C 13 58.251 0.051 . . . . . . . 197 SER CA . 50398 1 1033 . 1 . 1 115 115 SER CB C 13 63.716 0.031 . . . . . . . 197 SER CB . 50398 1 1034 . 1 . 1 115 115 SER N N 15 114.797 0.129 . . . . . . . 197 SER N . 50398 1 1035 . 1 . 1 116 116 MET H H 1 8.298 0.010 . . . . . . . 198 MET HN . 50398 1 1036 . 1 . 1 116 116 MET HA H 1 4.426 0.014 . . . . . . . 198 MET HA . 50398 1 1037 . 1 . 1 116 116 MET HB2 H 1 2.516 0.020 . . . . . . . 198 MET HB2 . 50398 1 1038 . 1 . 1 116 116 MET HB3 H 1 2.475 0.021 . . . . . . . 198 MET HB3 . 50398 1 1039 . 1 . 1 116 116 MET HG2 H 1 2.048 0.019 . . . . . . . 198 MET HG2 . 50398 1 1040 . 1 . 1 116 116 MET HG3 H 1 1.928 0.005 . . . . . . . 198 MET HG3 . 50398 1 1041 . 1 . 1 116 116 MET CA C 13 55.557 0.092 . . . . . . . 198 MET CA . 50398 1 1042 . 1 . 1 116 116 MET CB C 13 31.827 0.036 . . . . . . . 198 MET CB . 50398 1 1043 . 1 . 1 116 116 MET CG C 13 32.949 0.010 . . . . . . . 198 MET CG . 50398 1 1044 . 1 . 1 116 116 MET N N 15 121.975 0.036 . . . . . . . 198 MET N . 50398 1 1045 . 1 . 1 117 117 ASP H H 1 8.208 0.007 . . . . . . . 199 ASP HN . 50398 1 1046 . 1 . 1 117 117 ASP HA H 1 4.533 0.005 . . . . . . . 199 ASP HA . 50398 1 1047 . 1 . 1 117 117 ASP HB2 H 1 2.625 0.028 . . . . . . . 199 ASP HB2 . 50398 1 1048 . 1 . 1 117 117 ASP HB3 H 1 2.588 0.009 . . . . . . . 199 ASP HB3 . 50398 1 1049 . 1 . 1 117 117 ASP CA C 13 53.842 0.001 . . . . . . . 199 ASP CA . 50398 1 1050 . 1 . 1 117 117 ASP CB C 13 41.287 0.022 . . . . . . . 199 ASP CB . 50398 1 1051 . 1 . 1 117 117 ASP N N 15 121.328 0.023 . . . . . . . 199 ASP N . 50398 1 1052 . 1 . 1 118 118 SER H H 1 8.252 0.024 . . . . . . . 200 SER HN . 50398 1 1053 . 1 . 1 118 118 SER HA H 1 4.374 0.014 . . . . . . . 200 SER HA . 50398 1 1054 . 1 . 1 118 118 SER HB2 H 1 3.809 0.016 . . . . . . . 200 SER QB . 50398 1 1055 . 1 . 1 118 118 SER HB3 H 1 3.809 0.016 . . . . . . . 200 SER QB . 50398 1 1056 . 1 . 1 118 118 SER CA C 13 58.604 0.004 . . . . . . . 200 SER CA . 50398 1 1057 . 1 . 1 118 118 SER CB C 13 63.667 0.013 . . . . . . . 200 SER CB . 50398 1 1058 . 1 . 1 118 118 SER N N 15 116.745 0.073 . . . . . . . 200 SER N . 50398 1 1059 . 1 . 1 119 119 SER H H 1 8.309 0.013 . . . . . . . 201 SER HN . 50398 1 1060 . 1 . 1 119 119 SER N N 15 117.775 0.029 . . . . . . . 201 SER N . 50398 1 1061 . 1 . 1 121 121 LYS H H 1 8.109 0.006 . . . . . . . 203 LYS HN . 50398 1 1062 . 1 . 1 121 121 LYS HA H 1 4.201 0.005 . . . . . . . 203 LYS HA . 50398 1 1063 . 1 . 1 121 121 LYS HB2 H 1 1.670 0.007 . . . . . . . 203 LYS HB2 . 50398 1 1064 . 1 . 1 121 121 LYS HB3 H 1 1.753 0.024 . . . . . . . 203 LYS HB3 . 50398 1 1065 . 1 . 1 121 121 LYS HG2 H 1 1.347 0.012 . . . . . . . 203 LYS QG . 50398 1 1066 . 1 . 1 121 121 LYS HG3 H 1 1.347 0.012 . . . . . . . 203 LYS QG . 50398 1 1067 . 1 . 1 121 121 LYS HD2 H 1 1.580 0.000 . . . . . . . 203 LYS HD2 . 50398 1 1068 . 1 . 1 121 121 LYS HD3 H 1 1.801 0.001 . . . . . . . 203 LYS HD3 . 50398 1 1069 . 1 . 1 121 121 LYS CA C 13 56.616 0.044 . . . . . . . 203 LYS CA . 50398 1 1070 . 1 . 1 121 121 LYS CB C 13 32.695 0.023 . . . . . . . 203 LYS CB . 50398 1 1071 . 1 . 1 121 121 LYS CG C 13 24.652 0.042 . . . . . . . 203 LYS CG . 50398 1 1072 . 1 . 1 121 121 LYS CD C 13 28.923 0.066 . . . . . . . 203 LYS CD . 50398 1 1073 . 1 . 1 121 121 LYS N N 15 122.839 0.020 . . . . . . . 203 LYS N . 50398 1 1074 . 1 . 1 122 122 LEU H H 1 7.939 0.006 . . . . . . . 204 LEU HN . 50398 1 1075 . 1 . 1 122 122 LEU HA H 1 4.222 0.005 . . . . . . . 204 LEU HA . 50398 1 1076 . 1 . 1 122 122 LEU HB2 H 1 1.504 0.014 . . . . . . . 204 LEU QB . 50398 1 1077 . 1 . 1 122 122 LEU HB3 H 1 1.504 0.014 . . . . . . . 204 LEU QB . 50398 1 1078 . 1 . 1 122 122 LEU HG H 1 1.509 0.000 . . . . . . . 204 LEU HG . 50398 1 1079 . 1 . 1 122 122 LEU HD11 H 1 0.781 0.008 . . . . . . . 204 LEU QD1 . 50398 1 1080 . 1 . 1 122 122 LEU HD12 H 1 0.781 0.008 . . . . . . . 204 LEU QD1 . 50398 1 1081 . 1 . 1 122 122 LEU HD13 H 1 0.781 0.008 . . . . . . . 204 LEU QD1 . 50398 1 1082 . 1 . 1 122 122 LEU HD21 H 1 0.814 0.000 . . . . . . . 204 LEU QD2 . 50398 1 1083 . 1 . 1 122 122 LEU HD22 H 1 0.814 0.000 . . . . . . . 204 LEU QD2 . 50398 1 1084 . 1 . 1 122 122 LEU HD23 H 1 0.814 0.000 . . . . . . . 204 LEU QD2 . 50398 1 1085 . 1 . 1 122 122 LEU CA C 13 55.302 0.067 . . . . . . . 204 LEU CA . 50398 1 1086 . 1 . 1 122 122 LEU CB C 13 42.132 0.010 . . . . . . . 204 LEU CB . 50398 1 1087 . 1 . 1 122 122 LEU CG C 13 26.970 0.061 . . . . . . . 204 LEU CG . 50398 1 1088 . 1 . 1 122 122 LEU CD1 C 13 23.423 0.038 . . . . . . . 204 LEU CD1 . 50398 1 1089 . 1 . 1 122 122 LEU CD2 C 13 24.890 0.170 . . . . . . . 204 LEU CD2 . 50398 1 1090 . 1 . 1 122 122 LEU N N 15 121.850 0.011 . . . . . . . 204 LEU N . 50398 1 1091 . 1 . 1 123 123 LEU H H 1 7.989 0.007 . . . . . . . 205 LEU HN . 50398 1 1092 . 1 . 1 123 123 LEU HA H 1 4.274 0.002 . . . . . . . 205 LEU HA . 50398 1 1093 . 1 . 1 123 123 LEU HB2 H 1 1.565 0.018 . . . . . . . 205 LEU HB2 . 50398 1 1094 . 1 . 1 123 123 LEU HB3 H 1 1.490 0.000 . . . . . . . 205 LEU HB3 . 50398 1 1095 . 1 . 1 123 123 LEU HG H 1 1.509 0.000 . . . . . . . 205 LEU HG . 50398 1 1096 . 1 . 1 123 123 LEU CA C 13 55.192 0.068 . . . . . . . 205 LEU CA . 50398 1 1097 . 1 . 1 123 123 LEU CB C 13 42.006 0.072 . . . . . . . 205 LEU CB . 50398 1 1098 . 1 . 1 123 123 LEU CG C 13 26.954 0.076 . . . . . . . 205 LEU CG . 50398 1 1099 . 1 . 1 123 123 LEU N N 15 122.628 0.024 . . . . . . . 205 LEU N . 50398 1 1100 . 1 . 1 124 124 ARG H H 1 8.132 0.010 . . . . . . . 206 ARG HN . 50398 1 1101 . 1 . 1 124 124 ARG HA H 1 4.280 0.004 . . . . . . . 206 ARG HA . 50398 1 1102 . 1 . 1 124 124 ARG HB2 H 1 1.682 0.000 . . . . . . . 206 ARG HB2 . 50398 1 1103 . 1 . 1 124 124 ARG HB3 H 1 1.822 0.000 . . . . . . . 206 ARG HB3 . 50398 1 1104 . 1 . 1 124 124 ARG HG2 H 1 1.543 0.000 . . . . . . . 206 ARG QG . 50398 1 1105 . 1 . 1 124 124 ARG HG3 H 1 1.543 0.000 . . . . . . . 206 ARG QG . 50398 1 1106 . 1 . 1 124 124 ARG HD2 H 1 3.112 0.002 . . . . . . . 206 ARG QD . 50398 1 1107 . 1 . 1 124 124 ARG HD3 H 1 3.112 0.002 . . . . . . . 206 ARG QD . 50398 1 1108 . 1 . 1 124 124 ARG CA C 13 55.917 0.030 . . . . . . . 206 ARG CA . 50398 1 1109 . 1 . 1 124 124 ARG CB C 13 30.914 0.000 . . . . . . . 206 ARG CB . 50398 1 1110 . 1 . 1 124 124 ARG CG C 13 27.010 0.000 . . . . . . . 206 ARG CG . 50398 1 1111 . 1 . 1 124 124 ARG CD C 13 43.302 0.019 . . . . . . . 206 ARG CD . 50398 1 1112 . 1 . 1 124 124 ARG N N 15 121.694 0.031 . . . . . . . 206 ARG N . 50398 1 1113 . 1 . 1 125 125 GLY H H 1 7.865 0.006 . . . . . . . 207 GLY HN . 50398 1 1114 . 1 . 1 125 125 GLY N N 15 116.061 0.019 . . . . . . . 207 GLY N . 50398 1 stop_ save_