data_34663 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34663 _Entry.Title ; Solution structure of Legionella pneumophila LspD ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-09-02 _Entry.Accession_date 2021-09-02 _Entry.Last_release_date 2021-09-28 _Entry.Original_release_date 2021-09-28 _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 NMR' _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 T. Portlock T. J. . . 34663 2 J. Garnett J. A. . . 34663 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID GspD . 34663 'Legionella pneumophila' . 34663 'PROTEIN TRANSPORT' . 34663 Recognition . 34663 'Type II Secretion System' . 34663 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34663 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 415 34663 '15N chemical shifts' 97 34663 '1H chemical shifts' 694 34663 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 . . 2022-09-08 . original BMRB . 34663 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 7PMP 'BMRB Entry Tracking System' 34663 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34663 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Solution structure of Legionella pneumophila LspD N0 ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 T. Portlock T. J. . . 34663 1 2 J. Garnett J. A. . . 34663 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34663 _Assembly.ID 1 _Assembly.Name 'Type II protein secretion LspD' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 unit_1 1 $entity_1 A A yes . . . . . . 34663 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34663 _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 A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MAHHHHHHVDDDDKMGSKLW NLRNADIRAVIAEVSRITGK NFVIDPRVQGKVSIVSSTPL SSRELYQVFLSVLQVSGYAA IPNGEIIKIIPNIDAKTQSP DLLSGMKSPPR ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 111 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12295.090 _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 1 116 MET . 34663 1 2 117 ALA . 34663 1 3 118 HIS . 34663 1 4 119 HIS . 34663 1 5 120 HIS . 34663 1 6 121 HIS . 34663 1 7 122 HIS . 34663 1 8 123 HIS . 34663 1 9 124 VAL . 34663 1 10 125 ASP . 34663 1 11 126 ASP . 34663 1 12 127 ASP . 34663 1 13 128 ASP . 34663 1 14 129 LYS . 34663 1 15 130 MET . 34663 1 16 131 GLY . 34663 1 17 132 SER . 34663 1 18 133 LYS . 34663 1 19 134 LEU . 34663 1 20 135 TRP . 34663 1 21 136 ASN . 34663 1 22 137 LEU . 34663 1 23 138 ARG . 34663 1 24 139 ASN . 34663 1 25 140 ALA . 34663 1 26 141 ASP . 34663 1 27 142 ILE . 34663 1 28 143 ARG . 34663 1 29 144 ALA . 34663 1 30 145 VAL . 34663 1 31 146 ILE . 34663 1 32 147 ALA . 34663 1 33 148 GLU . 34663 1 34 149 VAL . 34663 1 35 150 SER . 34663 1 36 151 ARG . 34663 1 37 152 ILE . 34663 1 38 153 THR . 34663 1 39 154 GLY . 34663 1 40 155 LYS . 34663 1 41 156 ASN . 34663 1 42 157 PHE . 34663 1 43 158 VAL . 34663 1 44 159 ILE . 34663 1 45 160 ASP . 34663 1 46 161 PRO . 34663 1 47 162 ARG . 34663 1 48 163 VAL . 34663 1 49 164 GLN . 34663 1 50 165 GLY . 34663 1 51 166 LYS . 34663 1 52 167 VAL . 34663 1 53 168 SER . 34663 1 54 169 ILE . 34663 1 55 170 VAL . 34663 1 56 171 SER . 34663 1 57 172 SER . 34663 1 58 173 THR . 34663 1 59 174 PRO . 34663 1 60 175 LEU . 34663 1 61 176 SER . 34663 1 62 177 SER . 34663 1 63 178 ARG . 34663 1 64 179 GLU . 34663 1 65 180 LEU . 34663 1 66 181 TYR . 34663 1 67 182 GLN . 34663 1 68 183 VAL . 34663 1 69 184 PHE . 34663 1 70 185 LEU . 34663 1 71 186 SER . 34663 1 72 187 VAL . 34663 1 73 188 LEU . 34663 1 74 189 GLN . 34663 1 75 190 VAL . 34663 1 76 191 SER . 34663 1 77 192 GLY . 34663 1 78 193 TYR . 34663 1 79 194 ALA . 34663 1 80 195 ALA . 34663 1 81 196 ILE . 34663 1 82 197 PRO . 34663 1 83 198 ASN . 34663 1 84 199 GLY . 34663 1 85 200 GLU . 34663 1 86 201 ILE . 34663 1 87 202 ILE . 34663 1 88 203 LYS . 34663 1 89 204 ILE . 34663 1 90 205 ILE . 34663 1 91 206 PRO . 34663 1 92 207 ASN . 34663 1 93 208 ILE . 34663 1 94 209 ASP . 34663 1 95 210 ALA . 34663 1 96 211 LYS . 34663 1 97 212 THR . 34663 1 98 213 GLN . 34663 1 99 214 SER . 34663 1 100 215 PRO . 34663 1 101 216 ASP . 34663 1 102 217 LEU . 34663 1 103 218 LEU . 34663 1 104 219 SER . 34663 1 105 220 GLY . 34663 1 106 221 MET . 34663 1 107 222 LYS . 34663 1 108 223 SER . 34663 1 109 224 PRO . 34663 1 110 225 PRO . 34663 1 111 226 ARG . 34663 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 34663 1 . ALA 2 2 34663 1 . HIS 3 3 34663 1 . HIS 4 4 34663 1 . HIS 5 5 34663 1 . HIS 6 6 34663 1 . HIS 7 7 34663 1 . HIS 8 8 34663 1 . VAL 9 9 34663 1 . ASP 10 10 34663 1 . ASP 11 11 34663 1 . ASP 12 12 34663 1 . ASP 13 13 34663 1 . LYS 14 14 34663 1 . MET 15 15 34663 1 . GLY 16 16 34663 1 . SER 17 17 34663 1 . LYS 18 18 34663 1 . LEU 19 19 34663 1 . TRP 20 20 34663 1 . ASN 21 21 34663 1 . LEU 22 22 34663 1 . ARG 23 23 34663 1 . ASN 24 24 34663 1 . ALA 25 25 34663 1 . ASP 26 26 34663 1 . ILE 27 27 34663 1 . ARG 28 28 34663 1 . ALA 29 29 34663 1 . VAL 30 30 34663 1 . ILE 31 31 34663 1 . ALA 32 32 34663 1 . GLU 33 33 34663 1 . VAL 34 34 34663 1 . SER 35 35 34663 1 . ARG 36 36 34663 1 . ILE 37 37 34663 1 . THR 38 38 34663 1 . GLY 39 39 34663 1 . LYS 40 40 34663 1 . ASN 41 41 34663 1 . PHE 42 42 34663 1 . VAL 43 43 34663 1 . ILE 44 44 34663 1 . ASP 45 45 34663 1 . PRO 46 46 34663 1 . ARG 47 47 34663 1 . VAL 48 48 34663 1 . GLN 49 49 34663 1 . GLY 50 50 34663 1 . LYS 51 51 34663 1 . VAL 52 52 34663 1 . SER 53 53 34663 1 . ILE 54 54 34663 1 . VAL 55 55 34663 1 . SER 56 56 34663 1 . SER 57 57 34663 1 . THR 58 58 34663 1 . PRO 59 59 34663 1 . LEU 60 60 34663 1 . SER 61 61 34663 1 . SER 62 62 34663 1 . ARG 63 63 34663 1 . GLU 64 64 34663 1 . LEU 65 65 34663 1 . TYR 66 66 34663 1 . GLN 67 67 34663 1 . VAL 68 68 34663 1 . PHE 69 69 34663 1 . LEU 70 70 34663 1 . SER 71 71 34663 1 . VAL 72 72 34663 1 . LEU 73 73 34663 1 . GLN 74 74 34663 1 . VAL 75 75 34663 1 . SER 76 76 34663 1 . GLY 77 77 34663 1 . TYR 78 78 34663 1 . ALA 79 79 34663 1 . ALA 80 80 34663 1 . ILE 81 81 34663 1 . PRO 82 82 34663 1 . ASN 83 83 34663 1 . GLY 84 84 34663 1 . GLU 85 85 34663 1 . ILE 86 86 34663 1 . ILE 87 87 34663 1 . LYS 88 88 34663 1 . ILE 89 89 34663 1 . ILE 90 90 34663 1 . PRO 91 91 34663 1 . ASN 92 92 34663 1 . ILE 93 93 34663 1 . ASP 94 94 34663 1 . ALA 95 95 34663 1 . LYS 96 96 34663 1 . THR 97 97 34663 1 . GLN 98 98 34663 1 . SER 99 99 34663 1 . PRO 100 100 34663 1 . ASP 101 101 34663 1 . LEU 102 102 34663 1 . LEU 103 103 34663 1 . SER 104 104 34663 1 . GLY 105 105 34663 1 . MET 106 106 34663 1 . LYS 107 107 34663 1 . SER 108 108 34663 1 . PRO 109 109 34663 1 . PRO 110 110 34663 1 . ARG 111 111 34663 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 34663 _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 . 446 organism . 'Legionella pneumophila' 'Legionella pneumophila' . . Bacteria . Legionella pneumophila . . . . . . . . . . . lspD . 34663 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 34663 _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 BL21(DE3)' . . 469008 . . . . . . . . . . . . 34663 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34663 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.4 mM [U-99% 13C; U-99% 15N] LspD N0, 50 mM sodium phosphate, 50 mM sodium chloride, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'LspD N0' '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 0.4 . . mM . . . . 34663 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 34663 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 34663 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 34663 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 100 . mM 34663 1 pH 7.0 . pH 34663 1 pressure 1 . atm 34663 1 temperature 310 . K 34663 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34663 _Software.ID 1 _Software.Type . _Software.Name CNS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 34663 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 34663 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34663 _Software.ID 2 _Software.Type . _Software.Name ARIA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "Linge, O'Donoghue and Nilges" . . 34663 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 34663 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34663 _Software.ID 3 _Software.Type . _Software.Name 'CcpNmr Analysis' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 34663 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 34663 3 'peak picking' . 34663 3 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 34663 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 34663 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker 'AVANCE III' . 700 . . . 34663 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 34663 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34663 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34663 1 3 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34663 1 4 '3D HCCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34663 1 5 '3D CCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34663 1 6 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34663 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34663 1 8 '3D 1H-13C NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34663 1 9 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34663 1 10 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34663 1 11 '2D 1H-13C HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34663 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 34663 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 internal indirect 0.25144953 . . . . . 34663 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . 34663 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 internal indirect 0.101329118 . . . . . 34663 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 34663 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 34663 1 2 '3D CBCA(CO)NH' . . . 34663 1 3 '3D HNCO' . . . 34663 1 4 '3D HCCH-TOCSY' . . . 34663 1 5 '3D CCH-TOCSY' . . . 34663 1 6 '3D HNCA' . . . 34663 1 7 '3D 1H-15N NOESY' . . . 34663 1 8 '3D 1H-13C NOESY' . . . 34663 1 9 '3D HNCACB' . . . 34663 1 10 '3D HN(CO)CA' . . . 34663 1 11 '2D 1H-13C HSQC' . . . 34663 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 15 15 MET HA H 1 4.498 0.003 . 1 . . 1121 . A 130 MET HA . 34663 1 2 . 1 . 1 15 15 MET CA C 13 55.796 0.017 . 1 . . 1120 . A 130 MET CA . 34663 1 3 . 1 . 1 16 16 GLY H H 1 8.292 0.002 . 1 . . 1034 . A 131 GLY H . 34663 1 4 . 1 . 1 16 16 GLY HA2 H 1 4.023 0.001 . 2 . . 405 . A 131 GLY HA2 . 34663 1 5 . 1 . 1 16 16 GLY HA3 H 1 4.026 0.003 . 2 . . 406 . A 131 GLY HA3 . 34663 1 6 . 1 . 1 16 16 GLY C C 13 174.097 0.001 . 1 . . 380 . A 131 GLY C . 34663 1 7 . 1 . 1 16 16 GLY CA C 13 45.510 0.062 . 1 . . 379 . A 131 GLY CA . 34663 1 8 . 1 . 1 16 16 GLY N N 15 109.371 0.029 . 1 . . 137 . A 131 GLY N . 34663 1 9 . 1 . 1 17 17 SER H H 1 8.121 0.003 . 1 . . 29 . A 132 SER H . 34663 1 10 . 1 . 1 17 17 SER HA H 1 4.770 0.005 . 1 . . 837 . A 132 SER HA . 34663 1 11 . 1 . 1 17 17 SER HB2 H 1 3.606 0.009 . 2 . . 836 . A 132 SER HB2 . 34663 1 12 . 1 . 1 17 17 SER HB3 H 1 3.646 0.005 . 2 . . 838 . A 132 SER HB3 . 34663 1 13 . 1 . 1 17 17 SER C C 13 173.869 0.009 . 1 . . 395 . A 132 SER C . 34663 1 14 . 1 . 1 17 17 SER CA C 13 58.125 0.096 . 1 . . 394 . A 132 SER CA . 34663 1 15 . 1 . 1 17 17 SER CB C 13 64.221 0.072 . 1 . . 186 . A 132 SER CB . 34663 1 16 . 1 . 1 17 17 SER N N 15 115.711 0.017 . 1 . . 30 . A 132 SER N . 34663 1 17 . 1 . 1 18 18 LYS H H 1 8.139 0.005 . 1 . . 389 . A 133 LYS H . 34663 1 18 . 1 . 1 18 18 LYS HA H 1 4.553 0.002 . 1 . . 409 . A 133 LYS HA . 34663 1 19 . 1 . 1 18 18 LYS HB2 H 1 1.672 0.002 . 1 . . 407 . A 133 LYS HB2 . 34663 1 20 . 1 . 1 18 18 LYS HB3 H 1 1.672 0.002 . 1 . . 408 . A 133 LYS HB3 . 34663 1 21 . 1 . 1 18 18 LYS HG2 H 1 1.054 0.006 . 2 . . 832 . A 133 LYS HG2 . 34663 1 22 . 1 . 1 18 18 LYS HG3 H 1 1.036 0.003 . 2 . . 833 . A 133 LYS HG3 . 34663 1 23 . 1 . 1 18 18 LYS HD2 H 1 1.353 0.003 . 2 . . 834 . A 133 LYS HD2 . 34663 1 24 . 1 . 1 18 18 LYS HD3 H 1 1.259 0.005 . 2 . . 835 . A 133 LYS HD3 . 34663 1 25 . 1 . 1 18 18 LYS HE2 H 1 2.399 0.007 . 2 . . 829 . A 133 LYS HE2 . 34663 1 26 . 1 . 1 18 18 LYS HE3 H 1 2.391 0.003 . 2 . . 830 . A 133 LYS HE3 . 34663 1 27 . 1 . 1 18 18 LYS C C 13 175.441 0.005 . 1 . . 391 . A 133 LYS C . 34663 1 28 . 1 . 1 18 18 LYS CA C 13 55.295 0.048 . 1 . . 393 . A 133 LYS CA . 34663 1 29 . 1 . 1 18 18 LYS CB C 13 35.353 0.019 . 1 . . 392 . A 133 LYS CB . 34663 1 30 . 1 . 1 18 18 LYS CG C 13 23.765 0.014 . 1 . . 828 . A 133 LYS CG . 34663 1 31 . 1 . 1 18 18 LYS CD C 13 28.987 0.026 . 1 . . 831 . A 133 LYS CD . 34663 1 32 . 1 . 1 18 18 LYS CE C 13 41.538 0.015 . 1 . . 827 . A 133 LYS CE . 34663 1 33 . 1 . 1 18 18 LYS N N 15 121.189 0.018 . 1 . . 390 . A 133 LYS N . 34663 1 34 . 1 . 1 19 19 LEU H H 1 8.409 0.002 . 1 . . 123 . A 134 LEU H . 34663 1 35 . 1 . 1 19 19 LEU HA H 1 4.239 0.005 . 1 . . 410 . A 134 LEU HA . 34663 1 36 . 1 . 1 19 19 LEU HB2 H 1 1.487 0.015 . 2 . . 411 . A 134 LEU HB2 . 34663 1 37 . 1 . 1 19 19 LEU HB3 H 1 1.465 0.011 . 2 . . 412 . A 134 LEU HB3 . 34663 1 38 . 1 . 1 19 19 LEU HG H 1 1.461 0.008 . 1 . . 823 . A 134 LEU HG . 34663 1 39 . 1 . 1 19 19 LEU HD11 H 1 0.670 0.002 . 2 . . 825 . A 134 LEU HD11 . 34663 1 40 . 1 . 1 19 19 LEU HD12 H 1 0.670 0.002 . 2 . . 825 . A 134 LEU HD12 . 34663 1 41 . 1 . 1 19 19 LEU HD13 H 1 0.670 0.002 . 2 . . 825 . A 134 LEU HD13 . 34663 1 42 . 1 . 1 19 19 LEU HD21 H 1 0.779 0.001 . 2 . . 826 . A 134 LEU HD21 . 34663 1 43 . 1 . 1 19 19 LEU HD22 H 1 0.779 0.001 . 2 . . 826 . A 134 LEU HD22 . 34663 1 44 . 1 . 1 19 19 LEU HD23 H 1 0.779 0.001 . 2 . . 826 . A 134 LEU HD23 . 34663 1 45 . 1 . 1 19 19 LEU C C 13 176.317 0.006 . 1 . . 339 . A 134 LEU C . 34663 1 46 . 1 . 1 19 19 LEU CA C 13 54.937 0.095 . 1 . . 338 . A 134 LEU CA . 34663 1 47 . 1 . 1 19 19 LEU CB C 13 42.387 0.033 . 1 . . 340 . A 134 LEU CB . 34663 1 48 . 1 . 1 19 19 LEU CG C 13 27.414 0.045 . 1 . . 824 . A 134 LEU CG . 34663 1 49 . 1 . 1 19 19 LEU CD1 C 13 23.969 0.011 . 2 . . 899 . A 134 LEU CD1 . 34663 1 50 . 1 . 1 19 19 LEU CD2 C 13 24.916 0.02 . 2 . . 1029 . A 134 LEU CD2 . 34663 1 51 . 1 . 1 19 19 LEU N N 15 124.253 0.026 . 1 . . 124 . A 134 LEU N . 34663 1 52 . 1 . 1 20 20 TRP H H 1 8.254 0.003 . 1 . . 77 . A 135 TRP H . 34663 1 53 . 1 . 1 20 20 TRP HA H 1 4.254 0.007 . 1 . . 680 . A 135 TRP HA . 34663 1 54 . 1 . 1 20 20 TRP HB2 H 1 3.294 0.004 . 2 . . 681 . A 135 TRP HB2 . 34663 1 55 . 1 . 1 20 20 TRP HB3 H 1 2.725 0.002 . 2 . . 682 . A 135 TRP HB3 . 34663 1 56 . 1 . 1 20 20 TRP HD1 H 1 7.357 0.014 . 1 . . 995 . A 135 TRP HD1 . 34663 1 57 . 1 . 1 20 20 TRP HE1 H 1 10.680 0.002 . 1 . . 844 . A 135 TRP HE1 . 34663 1 58 . 1 . 1 20 20 TRP HE3 H 1 7.468 . . 1 . . 996 . A 135 TRP HE3 . 34663 1 59 . 1 . 1 20 20 TRP HZ2 H 1 7.313 0.013 . 1 . . 900 . A 135 TRP HZ2 . 34663 1 60 . 1 . 1 20 20 TRP HZ3 H 1 6.956 0.002 . 1 . . 1007 . A 135 TRP HZ3 . 34663 1 61 . 1 . 1 20 20 TRP C C 13 175.475 . . 1 . . 265 . A 135 TRP C . 34663 1 62 . 1 . 1 20 20 TRP CA C 13 58.085 0.03 . 1 . . 264 . A 135 TRP CA . 34663 1 63 . 1 . 1 20 20 TRP CB C 13 29.908 0.032 . 1 . . 263 . A 135 TRP CB . 34663 1 64 . 1 . 1 20 20 TRP CD1 C 13 126.652 0.016 . 1 . . 1063 . A 135 TRP CD1 . 34663 1 65 . 1 . 1 20 20 TRP CZ2 C 13 114.906 0.023 . 1 . . 901 . A 135 TRP CZ2 . 34663 1 66 . 1 . 1 20 20 TRP CZ3 C 13 122.975 . . 1 . . 1132 . A 135 TRP CZ3 . 34663 1 67 . 1 . 1 20 20 TRP N N 15 124.115 0.02 . 1 . . 78 . A 135 TRP N . 34663 1 68 . 1 . 1 20 20 TRP NE1 N 15 130.628 0.047 . 1 . . 845 . A 135 TRP NE1 . 34663 1 69 . 1 . 1 21 21 ASN HA H 1 5.070 0.004 . 1 . . 413 . A 136 ASN HA . 34663 1 70 . 1 . 1 21 21 ASN HB2 H 1 2.841 0.007 . 2 . . 604 . A 136 ASN HB2 . 34663 1 71 . 1 . 1 21 21 ASN HB3 H 1 2.525 0.004 . 2 . . 605 . A 136 ASN HB3 . 34663 1 72 . 1 . 1 21 21 ASN HD21 H 1 6.686 0.001 . 1 . . 912 . A 136 ASN HD21 . 34663 1 73 . 1 . 1 21 21 ASN HD22 H 1 7.488 0.003 . 1 . . 914 . A 136 ASN HD22 . 34663 1 74 . 1 . 1 21 21 ASN C C 13 173.545 . . 1 . . 399 . A 136 ASN C . 34663 1 75 . 1 . 1 21 21 ASN CA C 13 52.597 0.03 . 1 . . 602 . A 136 ASN CA . 34663 1 76 . 1 . 1 21 21 ASN CB C 13 38.824 0.039 . 1 . . 603 . A 136 ASN CB . 34663 1 77 . 1 . 1 21 21 ASN ND2 N 15 110.301 0.022 . 1 . . 913 . A 136 ASN ND2 . 34663 1 78 . 1 . 1 22 22 LEU H H 1 8.473 0.005 . 1 . . 135 . A 137 LEU H . 34663 1 79 . 1 . 1 22 22 LEU HA H 1 4.650 0.003 . 1 . . 414 . A 137 LEU HA . 34663 1 80 . 1 . 1 22 22 LEU HB2 H 1 1.890 0.003 . 2 . . 606 . A 137 LEU HB2 . 34663 1 81 . 1 . 1 22 22 LEU HB3 H 1 1.737 0.004 . 2 . . 607 . A 137 LEU HB3 . 34663 1 82 . 1 . 1 22 22 LEU HG H 1 1.746 0.005 . 1 . . 609 . A 137 LEU HG . 34663 1 83 . 1 . 1 22 22 LEU HD11 H 1 1.023 0.003 . 2 . . 929 . A 137 LEU HD11 . 34663 1 84 . 1 . 1 22 22 LEU HD12 H 1 1.023 0.003 . 2 . . 929 . A 137 LEU HD12 . 34663 1 85 . 1 . 1 22 22 LEU HD13 H 1 1.023 0.003 . 2 . . 929 . A 137 LEU HD13 . 34663 1 86 . 1 . 1 22 22 LEU HD21 H 1 0.979 0.006 . 2 . . 931 . A 137 LEU HD21 . 34663 1 87 . 1 . 1 22 22 LEU HD22 H 1 0.979 0.006 . 2 . . 931 . A 137 LEU HD22 . 34663 1 88 . 1 . 1 22 22 LEU HD23 H 1 0.979 0.006 . 2 . . 931 . A 137 LEU HD23 . 34663 1 89 . 1 . 1 22 22 LEU C C 13 174.660 0.018 . 1 . . 378 . A 137 LEU C . 34663 1 90 . 1 . 1 22 22 LEU CA C 13 53.749 0.039 . 1 . . 377 . A 137 LEU CA . 34663 1 91 . 1 . 1 22 22 LEU CB C 13 42.789 0.04 . 1 . . 376 . A 137 LEU CB . 34663 1 92 . 1 . 1 22 22 LEU CG C 13 26.882 0.054 . 1 . . 608 . A 137 LEU CG . 34663 1 93 . 1 . 1 22 22 LEU CD1 C 13 25.320 0.043 . 2 . . 930 . A 137 LEU CD1 . 34663 1 94 . 1 . 1 22 22 LEU CD2 C 13 24.907 0.001 . 2 . . 932 . A 137 LEU CD2 . 34663 1 95 . 1 . 1 22 22 LEU N N 15 124.756 0.04 . 1 . . 136 . A 137 LEU N . 34663 1 96 . 1 . 1 23 23 ARG H H 1 8.377 0.004 . 1 . . 142 . A 138 ARG H . 34663 1 97 . 1 . 1 23 23 ARG HA H 1 4.512 0.003 . 1 . . 415 . A 138 ARG HA . 34663 1 98 . 1 . 1 23 23 ARG HB2 H 1 1.622 0.002 . 2 . . 815 . A 138 ARG HB2 . 34663 1 99 . 1 . 1 23 23 ARG HB3 H 1 1.622 0.002 . 2 . . 816 . A 138 ARG HB3 . 34663 1 100 . 1 . 1 23 23 ARG HG2 H 1 1.452 0.003 . 2 . . 821 . A 138 ARG HG2 . 34663 1 101 . 1 . 1 23 23 ARG HG3 H 1 1.389 0.011 . 2 . . 822 . A 138 ARG HG3 . 34663 1 102 . 1 . 1 23 23 ARG HD2 H 1 3.110 0.006 . 2 . . 817 . A 138 ARG HD2 . 34663 1 103 . 1 . 1 23 23 ARG HD3 H 1 3.131 0.009 . 2 . . 818 . A 138 ARG HD3 . 34663 1 104 . 1 . 1 23 23 ARG C C 13 175.435 0.003 . 1 . . 352 . A 138 ARG C . 34663 1 105 . 1 . 1 23 23 ARG CA C 13 54.570 0.082 . 1 . . 351 . A 138 ARG CA . 34663 1 106 . 1 . 1 23 23 ARG CB C 13 31.612 0.026 . 1 . . 350 . A 138 ARG CB . 34663 1 107 . 1 . 1 23 23 ARG CG C 13 27.760 0.03 . 1 . . 820 . A 138 ARG CG . 34663 1 108 . 1 . 1 23 23 ARG CD C 13 43.032 0.021 . 1 . . 819 . A 138 ARG CD . 34663 1 109 . 1 . 1 23 23 ARG N N 15 123.071 0.01 . 1 . . 143 . A 138 ARG N . 34663 1 110 . 1 . 1 24 24 ASN H H 1 8.835 0.005 . 1 . . 131 . A 139 ASN H . 34663 1 111 . 1 . 1 24 24 ASN HA H 1 3.894 0.002 . 1 . . 416 . A 139 ASN HA . 34663 1 112 . 1 . 1 24 24 ASN HB2 H 1 2.815 0.004 . 2 . . 813 . A 139 ASN HB2 . 34663 1 113 . 1 . 1 24 24 ASN HB3 H 1 2.684 0.003 . 2 . . 814 . A 139 ASN HB3 . 34663 1 114 . 1 . 1 24 24 ASN HD21 H 1 6.859 0.002 . 1 . . 905 . A 139 ASN HD21 . 34663 1 115 . 1 . 1 24 24 ASN HD22 H 1 7.620 0.002 . 1 . . 911 . A 139 ASN HD22 . 34663 1 116 . 1 . 1 24 24 ASN C C 13 173.058 0.009 . 1 . . 369 . A 139 ASN C . 34663 1 117 . 1 . 1 24 24 ASN CA C 13 53.804 0.076 . 1 . . 367 . A 139 ASN CA . 34663 1 118 . 1 . 1 24 24 ASN CB C 13 37.312 0.057 . 1 . . 368 . A 139 ASN CB . 34663 1 119 . 1 . 1 24 24 ASN N N 15 123.061 0.026 . 1 . . 132 . A 139 ASN N . 34663 1 120 . 1 . 1 24 24 ASN ND2 N 15 113.558 0.0 . 1 . . 906 . A 139 ASN ND2 . 34663 1 121 . 1 . 1 25 25 ALA H H 1 8.543 0.005 . 1 . . 117 . A 140 ALA H . 34663 1 122 . 1 . 1 25 25 ALA HA H 1 4.519 0.007 . 1 . . 418 . A 140 ALA HA . 34663 1 123 . 1 . 1 25 25 ALA HB1 H 1 1.214 0.004 . 1 . . 417 . A 140 ALA HB1 . 34663 1 124 . 1 . 1 25 25 ALA HB2 H 1 1.214 0.004 . 1 . . 417 . A 140 ALA HB2 . 34663 1 125 . 1 . 1 25 25 ALA HB3 H 1 1.214 0.004 . 1 . . 417 . A 140 ALA HB3 . 34663 1 126 . 1 . 1 25 25 ALA C C 13 176.757 0.017 . 1 . . 331 . A 140 ALA C . 34663 1 127 . 1 . 1 25 25 ALA CA C 13 50.446 0.064 . 1 . . 329 . A 140 ALA CA . 34663 1 128 . 1 . 1 25 25 ALA CB C 13 21.534 0.052 . 1 . . 330 . A 140 ALA CB . 34663 1 129 . 1 . 1 25 25 ALA N N 15 121.739 0.045 . 1 . . 118 . A 140 ALA N . 34663 1 130 . 1 . 1 26 26 ASP H H 1 8.727 0.003 . 1 . . 69 . A 141 ASP H . 34663 1 131 . 1 . 1 26 26 ASP HA H 1 4.541 0.002 . 1 . . 419 . A 141 ASP HA . 34663 1 132 . 1 . 1 26 26 ASP HB2 H 1 2.751 0.009 . 2 . . 420 . A 141 ASP HB2 . 34663 1 133 . 1 . 1 26 26 ASP HB3 H 1 2.757 0.004 . 2 . . 421 . A 141 ASP HB3 . 34663 1 134 . 1 . 1 26 26 ASP C C 13 178.442 0.014 . 1 . . 253 . A 141 ASP C . 34663 1 135 . 1 . 1 26 26 ASP CA C 13 55.181 0.04 . 1 . . 252 . A 141 ASP CA . 34663 1 136 . 1 . 1 26 26 ASP CB C 13 42.552 0.034 . 1 . . 251 . A 141 ASP CB . 34663 1 137 . 1 . 1 26 26 ASP N N 15 121.002 0.028 . 1 . . 70 . A 141 ASP N . 34663 1 138 . 1 . 1 27 27 ILE H H 1 9.109 0.003 . 1 . . 138 . A 142 ILE H . 34663 1 139 . 1 . 1 27 27 ILE HA H 1 3.763 0.003 . 1 . . 422 . A 142 ILE HA . 34663 1 140 . 1 . 1 27 27 ILE HB H 1 1.492 0.004 . 1 . . 423 . A 142 ILE HB . 34663 1 141 . 1 . 1 27 27 ILE HG12 H 1 1.200 0.003 . 2 . . 809 . A 142 ILE HG12 . 34663 1 142 . 1 . 1 27 27 ILE HG13 H 1 0.852 0.009 . 2 . . 810 . A 142 ILE HG13 . 34663 1 143 . 1 . 1 27 27 ILE HG21 H 1 0.672 0.002 . 1 . . 811 . A 142 ILE HG21 . 34663 1 144 . 1 . 1 27 27 ILE HG22 H 1 0.672 0.002 . 1 . . 811 . A 142 ILE HG22 . 34663 1 145 . 1 . 1 27 27 ILE HG23 H 1 0.672 0.002 . 1 . . 811 . A 142 ILE HG23 . 34663 1 146 . 1 . 1 27 27 ILE HD11 H 1 0.467 0.002 . 1 . . 812 . A 142 ILE HD11 . 34663 1 147 . 1 . 1 27 27 ILE HD12 H 1 0.467 0.002 . 1 . . 812 . A 142 ILE HD12 . 34663 1 148 . 1 . 1 27 27 ILE HD13 H 1 0.467 0.002 . 1 . . 812 . A 142 ILE HD13 . 34663 1 149 . 1 . 1 27 27 ILE C C 13 176.144 0.02 . 1 . . 383 . A 142 ILE C . 34663 1 150 . 1 . 1 27 27 ILE CA C 13 64.823 0.021 . 1 . . 382 . A 142 ILE CA . 34663 1 151 . 1 . 1 27 27 ILE CB C 13 38.475 0.03 . 1 . . 381 . A 142 ILE CB . 34663 1 152 . 1 . 1 27 27 ILE CG1 C 13 29.303 0.031 . 1 . . 806 . A 142 ILE CG1 . 34663 1 153 . 1 . 1 27 27 ILE CG2 C 13 17.012 0.012 . 1 . . 807 . A 142 ILE CG2 . 34663 1 154 . 1 . 1 27 27 ILE CD1 C 13 13.945 0.021 . 1 . . 808 . A 142 ILE CD1 . 34663 1 155 . 1 . 1 27 27 ILE N N 15 127.460 0.013 . 1 . . 139 . A 142 ILE N . 34663 1 156 . 1 . 1 28 28 ARG H H 1 8.486 0.007 . 1 . . 140 . A 143 ARG H . 34663 1 157 . 1 . 1 28 28 ARG HA H 1 3.808 0.004 . 1 . . 424 . A 143 ARG HA . 34663 1 158 . 1 . 1 28 28 ARG HB2 H 1 1.901 0.006 . 2 . . 804 . A 143 ARG HB2 . 34663 1 159 . 1 . 1 28 28 ARG HB3 H 1 1.864 0.011 . 2 . . 805 . A 143 ARG HB3 . 34663 1 160 . 1 . 1 28 28 ARG HG2 H 1 1.723 0.003 . 2 . . 802 . A 143 ARG HG2 . 34663 1 161 . 1 . 1 28 28 ARG HG3 H 1 1.398 0.001 . 2 . . 803 . A 143 ARG HG3 . 34663 1 162 . 1 . 1 28 28 ARG HD2 H 1 3.218 0.003 . 2 . . 799 . A 143 ARG HD2 . 34663 1 163 . 1 . 1 28 28 ARG HD3 H 1 3.329 0.003 . 2 . . 800 . A 143 ARG HD3 . 34663 1 164 . 1 . 1 28 28 ARG C C 13 179.018 0.002 . 1 . . 387 . A 143 ARG C . 34663 1 165 . 1 . 1 28 28 ARG CA C 13 60.122 0.032 . 1 . . 385 . A 143 ARG CA . 34663 1 166 . 1 . 1 28 28 ARG CB C 13 28.415 0.025 . 1 . . 384 . A 143 ARG CB . 34663 1 167 . 1 . 1 28 28 ARG CG C 13 30.202 0.028 . 1 . . 801 . A 143 ARG CG . 34663 1 168 . 1 . 1 28 28 ARG CD C 13 42.582 0.029 . 1 . . 798 . A 143 ARG CD . 34663 1 169 . 1 . 1 28 28 ARG N N 15 120.492 0.03 . 1 . . 141 . A 143 ARG N . 34663 1 170 . 1 . 1 29 29 ALA H H 1 7.482 0.006 . 1 . . 93 . A 144 ALA H . 34663 1 171 . 1 . 1 29 29 ALA HA H 1 4.288 0.003 . 1 . . 425 . A 144 ALA HA . 34663 1 172 . 1 . 1 29 29 ALA HB1 H 1 1.640 0.004 . 1 . . 797 . A 144 ALA HB1 . 34663 1 173 . 1 . 1 29 29 ALA HB2 H 1 1.640 0.004 . 1 . . 797 . A 144 ALA HB2 . 34663 1 174 . 1 . 1 29 29 ALA HB3 H 1 1.640 0.004 . 1 . . 797 . A 144 ALA HB3 . 34663 1 175 . 1 . 1 29 29 ALA C C 13 180.941 0.006 . 1 . . 297 . A 144 ALA C . 34663 1 176 . 1 . 1 29 29 ALA CA C 13 54.664 0.098 . 1 . . 295 . A 144 ALA CA . 34663 1 177 . 1 . 1 29 29 ALA CB C 13 17.886 0.051 . 1 . . 296 . A 144 ALA CB . 34663 1 178 . 1 . 1 29 29 ALA N N 15 124.056 0.008 . 1 . . 94 . A 144 ALA N . 34663 1 179 . 1 . 1 30 30 VAL H H 1 8.005 0.004 . 1 . . 99 . A 145 VAL H . 34663 1 180 . 1 . 1 30 30 VAL HA H 1 3.511 0.003 . 1 . . 426 . A 145 VAL HA . 34663 1 181 . 1 . 1 30 30 VAL HB H 1 2.105 0.003 . 1 . . 794 . A 145 VAL HB . 34663 1 182 . 1 . 1 30 30 VAL HG11 H 1 0.793 0.001 . 2 . . 795 . A 145 VAL HG11 . 34663 1 183 . 1 . 1 30 30 VAL HG12 H 1 0.793 0.001 . 2 . . 795 . A 145 VAL HG12 . 34663 1 184 . 1 . 1 30 30 VAL HG13 H 1 0.793 0.001 . 2 . . 795 . A 145 VAL HG13 . 34663 1 185 . 1 . 1 30 30 VAL HG21 H 1 0.926 0.002 . 2 . . 796 . A 145 VAL HG21 . 34663 1 186 . 1 . 1 30 30 VAL HG22 H 1 0.926 0.002 . 2 . . 796 . A 145 VAL HG22 . 34663 1 187 . 1 . 1 30 30 VAL HG23 H 1 0.926 0.002 . 2 . . 796 . A 145 VAL HG23 . 34663 1 188 . 1 . 1 30 30 VAL C C 13 177.440 0.003 . 1 . . 306 . A 145 VAL C . 34663 1 189 . 1 . 1 30 30 VAL CA C 13 66.977 0.091 . 1 . . 305 . A 145 VAL CA . 34663 1 190 . 1 . 1 30 30 VAL CB C 13 31.483 0.074 . 1 . . 304 . A 145 VAL CB . 34663 1 191 . 1 . 1 30 30 VAL CG1 C 13 21.490 0.037 . 2 . . 792 . A 145 VAL CG1 . 34663 1 192 . 1 . 1 30 30 VAL CG2 C 13 23.752 0.015 . 2 . . 793 . A 145 VAL CG2 . 34663 1 193 . 1 . 1 30 30 VAL N N 15 120.203 0.028 . 1 . . 100 . A 145 VAL N . 34663 1 194 . 1 . 1 31 31 ILE H H 1 8.504 0.003 . 1 . . 91 . A 146 ILE H . 34663 1 195 . 1 . 1 31 31 ILE HA H 1 3.039 0.004 . 1 . . 427 . A 146 ILE HA . 34663 1 196 . 1 . 1 31 31 ILE HB H 1 1.645 0.003 . 1 . . 787 . A 146 ILE HB . 34663 1 197 . 1 . 1 31 31 ILE HG12 H 1 0.668 0.004 . 2 . . 788 . A 146 ILE HG12 . 34663 1 198 . 1 . 1 31 31 ILE HG13 H 1 0.669 0.003 . 2 . . 789 . A 146 ILE HG13 . 34663 1 199 . 1 . 1 31 31 ILE HG21 H 1 0.537 0.011 . 1 . . 790 . A 146 ILE HG21 . 34663 1 200 . 1 . 1 31 31 ILE HG22 H 1 0.537 0.011 . 1 . . 790 . A 146 ILE HG22 . 34663 1 201 . 1 . 1 31 31 ILE HG23 H 1 0.537 0.011 . 1 . . 790 . A 146 ILE HG23 . 34663 1 202 . 1 . 1 31 31 ILE HD11 H 1 0.571 0.01 . 1 . . 791 . A 146 ILE HD11 . 34663 1 203 . 1 . 1 31 31 ILE HD12 H 1 0.571 0.01 . 1 . . 791 . A 146 ILE HD12 . 34663 1 204 . 1 . 1 31 31 ILE HD13 H 1 0.571 0.01 . 1 . . 791 . A 146 ILE HD13 . 34663 1 205 . 1 . 1 31 31 ILE C C 13 176.985 0.012 . 1 . . 294 . A 146 ILE C . 34663 1 206 . 1 . 1 31 31 ILE CA C 13 66.014 0.027 . 1 . . 293 . A 146 ILE CA . 34663 1 207 . 1 . 1 31 31 ILE CB C 13 37.909 0.031 . 1 . . 292 . A 146 ILE CB . 34663 1 208 . 1 . 1 31 31 ILE CG1 C 13 29.799 0.021 . 1 . . 784 . A 146 ILE CG1 . 34663 1 209 . 1 . 1 31 31 ILE CG2 C 13 18.071 0.032 . 1 . . 785 . A 146 ILE CG2 . 34663 1 210 . 1 . 1 31 31 ILE CD1 C 13 15.079 0.02 . 1 . . 786 . A 146 ILE CD1 . 34663 1 211 . 1 . 1 31 31 ILE N N 15 119.417 0.018 . 1 . . 92 . A 146 ILE N . 34663 1 212 . 1 . 1 32 32 ALA H H 1 7.501 0.006 . 1 . . 111 . A 147 ALA H . 34663 1 213 . 1 . 1 32 32 ALA HA H 1 4.200 0.005 . 1 . . 428 . A 147 ALA HA . 34663 1 214 . 1 . 1 32 32 ALA HB1 H 1 1.566 0.002 . 1 . . 783 . A 147 ALA HB1 . 34663 1 215 . 1 . 1 32 32 ALA HB2 H 1 1.566 0.002 . 1 . . 783 . A 147 ALA HB2 . 34663 1 216 . 1 . 1 32 32 ALA HB3 H 1 1.566 0.002 . 1 . . 783 . A 147 ALA HB3 . 34663 1 217 . 1 . 1 32 32 ALA C C 13 180.513 0.031 . 1 . . 322 . A 147 ALA C . 34663 1 218 . 1 . 1 32 32 ALA CA C 13 55.333 0.056 . 1 . . 320 . A 147 ALA CA . 34663 1 219 . 1 . 1 32 32 ALA CB C 13 17.796 0.044 . 1 . . 321 . A 147 ALA CB . 34663 1 220 . 1 . 1 32 32 ALA N N 15 120.393 0.036 . 1 . . 112 . A 147 ALA N . 34663 1 221 . 1 . 1 33 33 GLU H H 1 7.746 0.005 . 1 . . 73 . A 148 GLU H . 34663 1 222 . 1 . 1 33 33 GLU HA H 1 4.485 0.005 . 1 . . 429 . A 148 GLU HA . 34663 1 223 . 1 . 1 33 33 GLU HB2 H 1 2.198 0.008 . 2 . . 779 . A 148 GLU HB2 . 34663 1 224 . 1 . 1 33 33 GLU HB3 H 1 2.168 0.009 . 2 . . 780 . A 148 GLU HB3 . 34663 1 225 . 1 . 1 33 33 GLU HG2 H 1 2.460 0.002 . 2 . . 781 . A 148 GLU HG2 . 34663 1 226 . 1 . 1 33 33 GLU HG3 H 1 2.386 0.004 . 2 . . 782 . A 148 GLU HG3 . 34663 1 227 . 1 . 1 33 33 GLU C C 13 178.643 0.004 . 1 . . 259 . A 148 GLU C . 34663 1 228 . 1 . 1 33 33 GLU CA C 13 58.738 0.061 . 1 . . 258 . A 148 GLU CA . 34663 1 229 . 1 . 1 33 33 GLU CB C 13 29.467 0.051 . 1 . . 257 . A 148 GLU CB . 34663 1 230 . 1 . 1 33 33 GLU CG C 13 35.296 0.025 . 1 . . 778 . A 148 GLU CG . 34663 1 231 . 1 . 1 33 33 GLU N N 15 120.602 0.006 . 1 . . 74 . A 148 GLU N . 34663 1 232 . 1 . 1 34 34 VAL H H 1 8.658 0.004 . 1 . . 61 . A 149 VAL H . 34663 1 233 . 1 . 1 34 34 VAL HA H 1 3.467 0.004 . 1 . . 430 . A 149 VAL HA . 34663 1 234 . 1 . 1 34 34 VAL HB H 1 1.538 0.004 . 1 . . 431 . A 149 VAL HB . 34663 1 235 . 1 . 1 34 34 VAL HG11 H 1 0.358 0.002 . 2 . . 776 . A 149 VAL HG11 . 34663 1 236 . 1 . 1 34 34 VAL HG12 H 1 0.358 0.002 . 2 . . 776 . A 149 VAL HG12 . 34663 1 237 . 1 . 1 34 34 VAL HG13 H 1 0.358 0.002 . 2 . . 776 . A 149 VAL HG13 . 34663 1 238 . 1 . 1 34 34 VAL HG21 H 1 0.355 0.001 . 2 . . 777 . A 149 VAL HG21 . 34663 1 239 . 1 . 1 34 34 VAL HG22 H 1 0.355 0.001 . 2 . . 777 . A 149 VAL HG22 . 34663 1 240 . 1 . 1 34 34 VAL HG23 H 1 0.355 0.001 . 2 . . 777 . A 149 VAL HG23 . 34663 1 241 . 1 . 1 34 34 VAL C C 13 180.552 0.002 . 1 . . 242 . A 149 VAL C . 34663 1 242 . 1 . 1 34 34 VAL CA C 13 67.137 0.085 . 1 . . 240 . A 149 VAL CA . 34663 1 243 . 1 . 1 34 34 VAL CB C 13 31.076 0.045 . 1 . . 241 . A 149 VAL CB . 34663 1 244 . 1 . 1 34 34 VAL CG1 C 13 22.126 0.01 . 2 . . 774 . A 149 VAL CG1 . 34663 1 245 . 1 . 1 34 34 VAL CG2 C 13 20.878 0.006 . 2 . . 775 . A 149 VAL CG2 . 34663 1 246 . 1 . 1 34 34 VAL N N 15 119.665 0.012 . 1 . . 62 . A 149 VAL N . 34663 1 247 . 1 . 1 35 35 SER H H 1 9.035 0.005 . 1 . . 5 . A 150 SER H . 34663 1 248 . 1 . 1 35 35 SER HA H 1 4.298 0.011 . 1 . . 772 . A 150 SER HA . 34663 1 249 . 1 . 1 35 35 SER HB2 H 1 4.228 0.004 . 2 . . 773 . A 150 SER HB2 . 34663 1 250 . 1 . 1 35 35 SER HB3 H 1 4.314 0.012 . 2 . . 933 . A 150 SER HB3 . 34663 1 251 . 1 . 1 35 35 SER C C 13 176.648 0.009 . 1 . . 157 . A 150 SER C . 34663 1 252 . 1 . 1 35 35 SER CA C 13 61.620 0.127 . 1 . . 159 . A 150 SER CA . 34663 1 253 . 1 . 1 35 35 SER CB C 13 63.425 0.059 . 1 . . 158 . A 150 SER CB . 34663 1 254 . 1 . 1 35 35 SER N N 15 118.569 0.028 . 1 . . 6 . A 150 SER N . 34663 1 255 . 1 . 1 36 36 ARG H H 1 7.899 0.003 . 1 . . 15 . A 151 ARG H . 34663 1 256 . 1 . 1 36 36 ARG HA H 1 4.050 0.002 . 1 . . 764 . A 151 ARG HA . 34663 1 257 . 1 . 1 36 36 ARG HB2 H 1 2.025 0.003 . 2 . . 765 . A 151 ARG HB2 . 34663 1 258 . 1 . 1 36 36 ARG HB3 H 1 2.144 0.004 . 2 . . 766 . A 151 ARG HB3 . 34663 1 259 . 1 . 1 36 36 ARG HG2 H 1 1.765 0.002 . 2 . . 760 . A 151 ARG HG2 . 34663 1 260 . 1 . 1 36 36 ARG HG3 H 1 1.565 0.001 . 2 . . 769 . A 151 ARG HG3 . 34663 1 261 . 1 . 1 36 36 ARG HD2 H 1 3.361 0.002 . 2 . . 770 . A 151 ARG HD2 . 34663 1 262 . 1 . 1 36 36 ARG HD3 H 1 3.163 0.002 . 2 . . 771 . A 151 ARG HD3 . 34663 1 263 . 1 . 1 36 36 ARG C C 13 178.661 0.008 . 1 . . 168 . A 151 ARG C . 34663 1 264 . 1 . 1 36 36 ARG CA C 13 59.570 0.068 . 1 . . 169 . A 151 ARG CA . 34663 1 265 . 1 . 1 36 36 ARG CB C 13 30.488 0.041 . 1 . . 388 . A 151 ARG CB . 34663 1 266 . 1 . 1 36 36 ARG CG C 13 27.667 0.018 . 1 . . 768 . A 151 ARG CG . 34663 1 267 . 1 . 1 36 36 ARG CD C 13 43.154 0.033 . 1 . . 767 . A 151 ARG CD . 34663 1 268 . 1 . 1 36 36 ARG N N 15 120.816 0.012 . 1 . . 16 . A 151 ARG N . 34663 1 269 . 1 . 1 37 37 ILE H H 1 7.949 0.004 . 1 . . 75 . A 152 ILE H . 34663 1 270 . 1 . 1 37 37 ILE HA H 1 3.975 0.003 . 1 . . 432 . A 152 ILE HA . 34663 1 271 . 1 . 1 37 37 ILE HB H 1 1.941 0.003 . 1 . . 433 . A 152 ILE HB . 34663 1 272 . 1 . 1 37 37 ILE HG12 H 1 1.773 0.002 . 2 . . 762 . A 152 ILE HG12 . 34663 1 273 . 1 . 1 37 37 ILE HG13 H 1 1.572 0.003 . 2 . . 763 . A 152 ILE HG13 . 34663 1 274 . 1 . 1 37 37 ILE HG21 H 1 1.058 0.01 . 1 . . 761 . A 152 ILE HG21 . 34663 1 275 . 1 . 1 37 37 ILE HG22 H 1 1.058 0.01 . 1 . . 761 . A 152 ILE HG22 . 34663 1 276 . 1 . 1 37 37 ILE HG23 H 1 1.058 0.01 . 1 . . 761 . A 152 ILE HG23 . 34663 1 277 . 1 . 1 37 37 ILE HD11 H 1 1.029 0.008 . 1 . . 759 . A 152 ILE HD11 . 34663 1 278 . 1 . 1 37 37 ILE HD12 H 1 1.029 0.008 . 1 . . 759 . A 152 ILE HD12 . 34663 1 279 . 1 . 1 37 37 ILE HD13 H 1 1.029 0.008 . 1 . . 759 . A 152 ILE HD13 . 34663 1 280 . 1 . 1 37 37 ILE C C 13 177.641 0.02 . 1 . . 262 . A 152 ILE C . 34663 1 281 . 1 . 1 37 37 ILE CA C 13 63.163 0.032 . 1 . . 261 . A 152 ILE CA . 34663 1 282 . 1 . 1 37 37 ILE CB C 13 38.802 0.039 . 1 . . 260 . A 152 ILE CB . 34663 1 283 . 1 . 1 37 37 ILE CG1 C 13 28.852 0.019 . 1 . . 756 . A 152 ILE CG1 . 34663 1 284 . 1 . 1 37 37 ILE CG2 C 13 17.771 0.034 . 1 . . 757 . A 152 ILE CG2 . 34663 1 285 . 1 . 1 37 37 ILE CD1 C 13 12.784 0.017 . 1 . . 758 . A 152 ILE CD1 . 34663 1 286 . 1 . 1 37 37 ILE N N 15 116.648 0.049 . 1 . . 76 . A 152 ILE N . 34663 1 287 . 1 . 1 38 38 THR H H 1 8.268 0.005 . 1 . . 1 . A 153 THR H . 34663 1 288 . 1 . 1 38 38 THR HA H 1 4.298 0.002 . 1 . . 752 . A 153 THR HA . 34663 1 289 . 1 . 1 38 38 THR HB H 1 4.101 0.003 . 1 . . 753 . A 153 THR HB . 34663 1 290 . 1 . 1 38 38 THR HG21 H 1 1.388 0.002 . 1 . . 755 . A 153 THR HG21 . 34663 1 291 . 1 . 1 38 38 THR HG22 H 1 1.388 0.002 . 1 . . 755 . A 153 THR HG22 . 34663 1 292 . 1 . 1 38 38 THR HG23 H 1 1.388 0.002 . 1 . . 755 . A 153 THR HG23 . 34663 1 293 . 1 . 1 38 38 THR C C 13 176.530 0.01 . 1 . . 156 . A 153 THR C . 34663 1 294 . 1 . 1 38 38 THR CA C 13 63.128 0.064 . 1 . . 154 . A 153 THR CA . 34663 1 295 . 1 . 1 38 38 THR CB C 13 71.919 0.097 . 1 . . 153 . A 153 THR CB . 34663 1 296 . 1 . 1 38 38 THR CG2 C 13 22.146 0.042 . 1 . . 754 . A 153 THR CG2 . 34663 1 297 . 1 . 1 38 38 THR N N 15 106.206 0.017 . 1 . . 2 . A 153 THR N . 34663 1 298 . 1 . 1 39 39 GLY H H 1 8.224 0.006 . 1 . . 87 . A 154 GLY H . 34663 1 299 . 1 . 1 39 39 GLY HA2 H 1 3.805 0.005 . 2 . . 750 . A 154 GLY HA2 . 34663 1 300 . 1 . 1 39 39 GLY HA3 H 1 4.076 0.003 . 2 . . 751 . A 154 GLY HA3 . 34663 1 301 . 1 . 1 39 39 GLY C C 13 174.083 0.007 . 1 . . 278 . A 154 GLY C . 34663 1 302 . 1 . 1 39 39 GLY CA C 13 45.762 0.08 . 1 . . 277 . A 154 GLY CA . 34663 1 303 . 1 . 1 39 39 GLY N N 15 111.638 0.014 . 1 . . 88 . A 154 GLY N . 34663 1 304 . 1 . 1 40 40 LYS H H 1 7.386 0.005 . 1 . . 79 . A 155 LYS H . 34663 1 305 . 1 . 1 40 40 LYS HA H 1 3.977 0.004 . 1 . . 434 . A 155 LYS HA . 34663 1 306 . 1 . 1 40 40 LYS HB2 H 1 1.180 0.011 . 2 . . 738 . A 155 LYS HB2 . 34663 1 307 . 1 . 1 40 40 LYS HB3 H 1 0.888 0.004 . 2 . . 739 . A 155 LYS HB3 . 34663 1 308 . 1 . 1 40 40 LYS HG2 H 1 1.037 0.004 . 2 . . 741 . A 155 LYS HG2 . 34663 1 309 . 1 . 1 40 40 LYS HG3 H 1 0.899 0.006 . 2 . . 742 . A 155 LYS HG3 . 34663 1 310 . 1 . 1 40 40 LYS HD2 H 1 1.159 0.007 . 2 . . 744 . A 155 LYS HD2 . 34663 1 311 . 1 . 1 40 40 LYS HD3 H 1 1.034 0.003 . 2 . . 745 . A 155 LYS HD3 . 34663 1 312 . 1 . 1 40 40 LYS HE2 H 1 2.303 0.003 . 2 . . 747 . A 155 LYS HE2 . 34663 1 313 . 1 . 1 40 40 LYS HE3 H 1 2.124 0.005 . 2 . . 749 . A 155 LYS HE3 . 34663 1 314 . 1 . 1 40 40 LYS C C 13 174.422 0.003 . 1 . . 268 . A 155 LYS C . 34663 1 315 . 1 . 1 40 40 LYS CA C 13 55.272 0.068 . 1 . . 267 . A 155 LYS CA . 34663 1 316 . 1 . 1 40 40 LYS CB C 13 33.721 0.03 . 1 . . 266 . A 155 LYS CB . 34663 1 317 . 1 . 1 40 40 LYS CG C 13 25.201 0.038 . 1 . . 740 . A 155 LYS CG . 34663 1 318 . 1 . 1 40 40 LYS CD C 13 28.644 0.018 . 1 . . 743 . A 155 LYS CD . 34663 1 319 . 1 . 1 40 40 LYS CE C 13 41.676 0.029 . 1 . . 746 . A 155 LYS CE . 34663 1 320 . 1 . 1 40 40 LYS N N 15 119.476 0.02 . 1 . . 80 . A 155 LYS N . 34663 1 321 . 1 . 1 41 41 ASN H H 1 8.370 0.004 . 1 . . 147 . A 156 ASN H . 34663 1 322 . 1 . 1 41 41 ASN HA H 1 4.722 0.003 . 1 . . 435 . A 156 ASN HA . 34663 1 323 . 1 . 1 41 41 ASN HB2 H 1 2.683 0.01 . 2 . . 736 . A 156 ASN HB2 . 34663 1 324 . 1 . 1 41 41 ASN HB3 H 1 2.631 0.005 . 2 . . 737 . A 156 ASN HB3 . 34663 1 325 . 1 . 1 41 41 ASN HD21 H 1 7.381 0.002 . 1 . . 903 . A 156 ASN HD21 . 34663 1 326 . 1 . 1 41 41 ASN HD22 H 1 6.808 0.002 . 1 . . 920 . A 156 ASN HD22 . 34663 1 327 . 1 . 1 41 41 ASN C C 13 173.382 0.002 . 1 . . 286 . A 156 ASN C . 34663 1 328 . 1 . 1 41 41 ASN CA C 13 52.134 0.085 . 1 . . 285 . A 156 ASN CA . 34663 1 329 . 1 . 1 41 41 ASN CB C 13 40.285 0.064 . 1 . . 284 . A 156 ASN CB . 34663 1 330 . 1 . 1 41 41 ASN N N 15 120.419 0.044 . 1 . . 148 . A 156 ASN N . 34663 1 331 . 1 . 1 41 41 ASN ND2 N 15 112.830 0.017 . 1 . . 904 . A 156 ASN ND2 . 34663 1 332 . 1 . 1 42 42 PHE H H 1 8.452 0.004 . 1 . . 57 . A 157 PHE H . 34663 1 333 . 1 . 1 42 42 PHE HA H 1 5.882 0.005 . 1 . . 436 . A 157 PHE HA . 34663 1 334 . 1 . 1 42 42 PHE HB2 H 1 2.825 0.003 . 2 . . 734 . A 157 PHE HB2 . 34663 1 335 . 1 . 1 42 42 PHE HB3 H 1 2.675 0.003 . 2 . . 735 . A 157 PHE HB3 . 34663 1 336 . 1 . 1 42 42 PHE HD1 H 1 7.181 0.005 . 1 . . 987 . A 157 PHE HD1 . 34663 1 337 . 1 . 1 42 42 PHE HD2 H 1 7.181 0.005 . 1 . . 987 . A 157 PHE HD2 . 34663 1 338 . 1 . 1 42 42 PHE HE1 H 1 7.057 0.009 . 1 . . 988 . A 157 PHE HE1 . 34663 1 339 . 1 . 1 42 42 PHE HE2 H 1 7.057 0.009 . 1 . . 988 . A 157 PHE HE2 . 34663 1 340 . 1 . 1 42 42 PHE HZ H 1 6.466 0.005 . 1 . . 1016 . A 157 PHE HZ . 34663 1 341 . 1 . 1 42 42 PHE C C 13 176.482 0.005 . 1 . . 226 . A 157 PHE C . 34663 1 342 . 1 . 1 42 42 PHE CA C 13 55.985 0.097 . 1 . . 224 . A 157 PHE CA . 34663 1 343 . 1 . 1 42 42 PHE CB C 13 42.202 0.048 . 1 . . 225 . A 157 PHE CB . 34663 1 344 . 1 . 1 42 42 PHE N N 15 119.783 0.03 . 1 . . 58 . A 157 PHE N . 34663 1 345 . 1 . 1 43 43 VAL H H 1 8.832 0.006 . 1 . . 365 . A 158 VAL H . 34663 1 346 . 1 . 1 43 43 VAL HA H 1 4.336 0.002 . 1 . . 437 . A 158 VAL HA . 34663 1 347 . 1 . 1 43 43 VAL HB H 1 1.816 0.004 . 1 . . 438 . A 158 VAL HB . 34663 1 348 . 1 . 1 43 43 VAL HG11 H 1 0.940 0.004 . 2 . . 1019 . A 158 VAL HG11 . 34663 1 349 . 1 . 1 43 43 VAL HG12 H 1 0.940 0.004 . 2 . . 1019 . A 158 VAL HG12 . 34663 1 350 . 1 . 1 43 43 VAL HG13 H 1 0.940 0.004 . 2 . . 1019 . A 158 VAL HG13 . 34663 1 351 . 1 . 1 43 43 VAL HG21 H 1 0.940 0.004 . 2 . . 1020 . A 158 VAL HG21 . 34663 1 352 . 1 . 1 43 43 VAL HG22 H 1 0.940 0.004 . 2 . . 1020 . A 158 VAL HG22 . 34663 1 353 . 1 . 1 43 43 VAL HG23 H 1 0.940 0.004 . 2 . . 1020 . A 158 VAL HG23 . 34663 1 354 . 1 . 1 43 43 VAL C C 13 174.802 0.005 . 1 . . 372 . A 158 VAL C . 34663 1 355 . 1 . 1 43 43 VAL CA C 13 61.922 0.05 . 1 . . 371 . A 158 VAL CA . 34663 1 356 . 1 . 1 43 43 VAL CB C 13 34.121 0.039 . 1 . . 370 . A 158 VAL CB . 34663 1 357 . 1 . 1 43 43 VAL CG1 C 13 21.116 0.073 . 2 . . 1021 . A 158 VAL CG1 . 34663 1 358 . 1 . 1 43 43 VAL CG2 C 13 21.242 0.05 . 2 . . 1022 . A 158 VAL CG2 . 34663 1 359 . 1 . 1 43 43 VAL N N 15 122.946 0.03 . 1 . . 366 . A 158 VAL N . 34663 1 360 . 1 . 1 44 44 ILE H H 1 9.056 0.004 . 1 . . 107 . A 159 ILE H . 34663 1 361 . 1 . 1 44 44 ILE HA H 1 4.272 0.004 . 1 . . 439 . A 159 ILE HA . 34663 1 362 . 1 . 1 44 44 ILE HB H 1 1.758 0.003 . 1 . . 440 . A 159 ILE HB . 34663 1 363 . 1 . 1 44 44 ILE HG12 H 1 0.719 0.002 . 2 . . 730 . A 159 ILE HG12 . 34663 1 364 . 1 . 1 44 44 ILE HG13 H 1 0.721 0.002 . 2 . . 731 . A 159 ILE HG13 . 34663 1 365 . 1 . 1 44 44 ILE HG21 H 1 0.801 0.003 . 1 . . 732 . A 159 ILE HG21 . 34663 1 366 . 1 . 1 44 44 ILE HG22 H 1 0.801 0.003 . 1 . . 732 . A 159 ILE HG22 . 34663 1 367 . 1 . 1 44 44 ILE HG23 H 1 0.801 0.003 . 1 . . 732 . A 159 ILE HG23 . 34663 1 368 . 1 . 1 44 44 ILE HD11 H 1 0.892 0.003 . 1 . . 733 . A 159 ILE HD11 . 34663 1 369 . 1 . 1 44 44 ILE HD12 H 1 0.892 0.003 . 1 . . 733 . A 159 ILE HD12 . 34663 1 370 . 1 . 1 44 44 ILE HD13 H 1 0.892 0.003 . 1 . . 733 . A 159 ILE HD13 . 34663 1 371 . 1 . 1 44 44 ILE C C 13 175.780 0.005 . 1 . . 315 . A 159 ILE C . 34663 1 372 . 1 . 1 44 44 ILE CA C 13 61.126 0.062 . 1 . . 317 . A 159 ILE CA . 34663 1 373 . 1 . 1 44 44 ILE CB C 13 39.645 0.072 . 1 . . 316 . A 159 ILE CB . 34663 1 374 . 1 . 1 44 44 ILE CG1 C 13 27.931 0.03 . 1 . . 727 . A 159 ILE CG1 . 34663 1 375 . 1 . 1 44 44 ILE CG2 C 13 18.172 0.022 . 1 . . 728 . A 159 ILE CG2 . 34663 1 376 . 1 . 1 44 44 ILE CD1 C 13 14.936 0.026 . 1 . . 729 . A 159 ILE CD1 . 34663 1 377 . 1 . 1 44 44 ILE N N 15 127.355 0.022 . 1 . . 108 . A 159 ILE N . 34663 1 378 . 1 . 1 45 45 ASP H H 1 8.459 0.002 . 1 . . 21 . A 160 ASP H . 34663 1 379 . 1 . 1 45 45 ASP HA H 1 4.837 0.003 . 1 . . 936 . A 160 ASP HA . 34663 1 380 . 1 . 1 45 45 ASP HB2 H 1 3.015 0.002 . 2 . . 934 . A 160 ASP HB2 . 34663 1 381 . 1 . 1 45 45 ASP HB3 H 1 2.890 0.002 . 2 . . 935 . A 160 ASP HB3 . 34663 1 382 . 1 . 1 45 45 ASP C C 13 174.725 . . 1 . . 176 . A 160 ASP C . 34663 1 383 . 1 . 1 45 45 ASP CA C 13 53.362 0.041 . 1 . . 175 . A 160 ASP CA . 34663 1 384 . 1 . 1 45 45 ASP CB C 13 44.811 0.02 . 1 . . 174 . A 160 ASP CB . 34663 1 385 . 1 . 1 45 45 ASP N N 15 131.614 0.03 . 1 . . 22 . A 160 ASP N . 34663 1 386 . 1 . 1 46 46 PRO HA H 1 4.405 0.003 . 1 . . 441 . A 161 PRO HA . 34663 1 387 . 1 . 1 46 46 PRO HB2 H 1 1.994 0.002 . 2 . . 720 . A 161 PRO HB2 . 34663 1 388 . 1 . 1 46 46 PRO HB3 H 1 2.425 0.002 . 2 . . 721 . A 161 PRO HB3 . 34663 1 389 . 1 . 1 46 46 PRO HG2 H 1 2.070 0.006 . 2 . . 723 . A 161 PRO HG2 . 34663 1 390 . 1 . 1 46 46 PRO HG3 H 1 2.081 0.004 . 2 . . 724 . A 161 PRO HG3 . 34663 1 391 . 1 . 1 46 46 PRO HD2 H 1 3.884 0.004 . 2 . . 725 . A 161 PRO HD2 . 34663 1 392 . 1 . 1 46 46 PRO HD3 H 1 3.720 0.001 . 2 . . 726 . A 161 PRO HD3 . 34663 1 393 . 1 . 1 46 46 PRO CA C 13 65.015 0.019 . 1 . . 486 . A 161 PRO CA . 34663 1 394 . 1 . 1 46 46 PRO CB C 13 32.344 0.028 . 1 . . 487 . A 161 PRO CB . 34663 1 395 . 1 . 1 46 46 PRO CG C 13 27.522 0.037 . 1 . . 488 . A 161 PRO CG . 34663 1 396 . 1 . 1 46 46 PRO CD C 13 51.235 0.051 . 1 . . 722 . A 161 PRO CD . 34663 1 397 . 1 . 1 47 47 ARG H H 1 9.295 0.005 . 1 . . 81 . A 162 ARG H . 34663 1 398 . 1 . 1 47 47 ARG HA H 1 4.161 0.001 . 1 . . 710 . A 162 ARG HA . 34663 1 399 . 1 . 1 47 47 ARG HB2 H 1 1.856 0.008 . 2 . . 716 . A 162 ARG HB2 . 34663 1 400 . 1 . 1 47 47 ARG HB3 H 1 1.716 0.004 . 2 . . 717 . A 162 ARG HB3 . 34663 1 401 . 1 . 1 47 47 ARG HG2 H 1 1.620 0.003 . 2 . . 718 . A 162 ARG HG2 . 34663 1 402 . 1 . 1 47 47 ARG HG3 H 1 1.609 0.0 . 2 . . 719 . A 162 ARG HG3 . 34663 1 403 . 1 . 1 47 47 ARG HD2 H 1 3.192 0.003 . 1 . . 713 . A 162 ARG HD2 . 34663 1 404 . 1 . 1 47 47 ARG HD3 H 1 3.192 0.003 . 1 . . 714 . A 162 ARG HD3 . 34663 1 405 . 1 . 1 47 47 ARG C C 13 177.325 0.055 . 1 . . 270 . A 162 ARG C . 34663 1 406 . 1 . 1 47 47 ARG CA C 13 57.202 0.088 . 1 . . 269 . A 162 ARG CA . 34663 1 407 . 1 . 1 47 47 ARG CB C 13 31.599 0.008 . 1 . . 712 . A 162 ARG CB . 34663 1 408 . 1 . 1 47 47 ARG CG C 13 27.068 0.01 . 1 . . 715 . A 162 ARG CG . 34663 1 409 . 1 . 1 47 47 ARG CD C 13 43.141 0.093 . 1 . . 711 . A 162 ARG CD . 34663 1 410 . 1 . 1 47 47 ARG N N 15 116.388 0.026 . 1 . . 82 . A 162 ARG N . 34663 1 411 . 1 . 1 48 48 VAL H H 1 7.864 0.007 . 1 . . 119 . A 163 VAL H . 34663 1 412 . 1 . 1 48 48 VAL HA H 1 3.558 0.003 . 1 . . 442 . A 163 VAL HA . 34663 1 413 . 1 . 1 48 48 VAL HB H 1 1.912 0.005 . 1 . . 443 . A 163 VAL HB . 34663 1 414 . 1 . 1 48 48 VAL HG11 H 1 -0.016 0.002 . 2 . . 708 . A 163 VAL HG11 . 34663 1 415 . 1 . 1 48 48 VAL HG12 H 1 -0.016 0.002 . 2 . . 708 . A 163 VAL HG12 . 34663 1 416 . 1 . 1 48 48 VAL HG13 H 1 -0.016 0.002 . 2 . . 708 . A 163 VAL HG13 . 34663 1 417 . 1 . 1 48 48 VAL HG21 H 1 0.668 0.001 . 2 . . 709 . A 163 VAL HG21 . 34663 1 418 . 1 . 1 48 48 VAL HG22 H 1 0.668 0.001 . 2 . . 709 . A 163 VAL HG22 . 34663 1 419 . 1 . 1 48 48 VAL HG23 H 1 0.668 0.001 . 2 . . 709 . A 163 VAL HG23 . 34663 1 420 . 1 . 1 48 48 VAL C C 13 174.516 0.012 . 1 . . 334 . A 163 VAL C . 34663 1 421 . 1 . 1 48 48 VAL CA C 13 63.581 0.079 . 1 . . 332 . A 163 VAL CA . 34663 1 422 . 1 . 1 48 48 VAL CB C 13 30.017 0.026 . 1 . . 333 . A 163 VAL CB . 34663 1 423 . 1 . 1 48 48 VAL CG1 C 13 19.664 0.024 . 2 . . 707 . A 163 VAL CG1 . 34663 1 424 . 1 . 1 48 48 VAL CG2 C 13 21.732 0.036 . 2 . . 706 . A 163 VAL CG2 . 34663 1 425 . 1 . 1 48 48 VAL N N 15 120.576 0.015 . 1 . . 120 . A 163 VAL N . 34663 1 426 . 1 . 1 49 49 GLN H H 1 7.910 0.005 . 1 . . 121 . A 164 GLN H . 34663 1 427 . 1 . 1 49 49 GLN HA H 1 4.710 0.003 . 1 . . 444 . A 164 GLN HA . 34663 1 428 . 1 . 1 49 49 GLN HB2 H 1 1.920 0.002 . 1 . . 705 . A 164 GLN HB2 . 34663 1 429 . 1 . 1 49 49 GLN HG2 H 1 2.258 0.006 . 1 . . 1014 . A 164 GLN HG2 . 34663 1 430 . 1 . 1 49 49 GLN HE21 H 1 7.367 0.004 . 1 . . 1008 . A 164 GLN HE21 . 34663 1 431 . 1 . 1 49 49 GLN HE22 H 1 6.796 0.001 . 1 . . 1010 . A 164 GLN HE22 . 34663 1 432 . 1 . 1 49 49 GLN C C 13 174.319 0.002 . 1 . . 337 . A 164 GLN C . 34663 1 433 . 1 . 1 49 49 GLN CA C 13 54.581 0.096 . 1 . . 335 . A 164 GLN CA . 34663 1 434 . 1 . 1 49 49 GLN CB C 13 32.215 0.021 . 1 . . 336 . A 164 GLN CB . 34663 1 435 . 1 . 1 49 49 GLN N N 15 125.149 0.038 . 1 . . 122 . A 164 GLN N . 34663 1 436 . 1 . 1 49 49 GLN NE2 N 15 111.168 0.021 . 1 . . 1009 . A 164 GLN NE2 . 34663 1 437 . 1 . 1 50 50 GLY H H 1 8.888 0.003 . 1 . . 17 . A 165 GLY H . 34663 1 438 . 1 . 1 50 50 GLY HA2 H 1 4.669 0.005 . 2 . . 703 . A 165 GLY HA2 . 34663 1 439 . 1 . 1 50 50 GLY HA3 H 1 3.907 0.004 . 2 . . 704 . A 165 GLY HA3 . 34663 1 440 . 1 . 1 50 50 GLY C C 13 172.205 0.001 . 1 . . 171 . A 165 GLY C . 34663 1 441 . 1 . 1 50 50 GLY CA C 13 44.199 0.058 . 1 . . 170 . A 165 GLY CA . 34663 1 442 . 1 . 1 50 50 GLY N N 15 109.444 0.019 . 1 . . 18 . A 165 GLY N . 34663 1 443 . 1 . 1 51 51 LYS H H 1 8.332 0.002 . 1 . . 59 . A 166 LYS H . 34663 1 444 . 1 . 1 51 51 LYS HA H 1 5.269 0.003 . 1 . . 445 . A 166 LYS HA . 34663 1 445 . 1 . 1 51 51 LYS HB2 H 1 1.284 0.018 . 2 . . 694 . A 166 LYS HB2 . 34663 1 446 . 1 . 1 51 51 LYS HB3 H 1 1.609 0.002 . 2 . . 695 . A 166 LYS HB3 . 34663 1 447 . 1 . 1 51 51 LYS HG2 H 1 1.193 0.003 . 2 . . 696 . A 166 LYS HG2 . 34663 1 448 . 1 . 1 51 51 LYS HG3 H 1 1.368 0.002 . 2 . . 697 . A 166 LYS HG3 . 34663 1 449 . 1 . 1 51 51 LYS HD2 H 1 1.425 0.006 . 2 . . 698 . A 166 LYS HD2 . 34663 1 450 . 1 . 1 51 51 LYS HD3 H 1 1.552 0.005 . 2 . . 699 . A 166 LYS HD3 . 34663 1 451 . 1 . 1 51 51 LYS HE2 H 1 2.954 0.002 . 2 . . 701 . A 166 LYS HE2 . 34663 1 452 . 1 . 1 51 51 LYS HE3 H 1 2.954 0.002 . 2 . . 702 . A 166 LYS HE3 . 34663 1 453 . 1 . 1 51 51 LYS C C 13 176.791 0.015 . 1 . . 239 . A 166 LYS C . 34663 1 454 . 1 . 1 51 51 LYS CA C 13 54.404 0.108 . 1 . . 232 . A 166 LYS CA . 34663 1 455 . 1 . 1 51 51 LYS CB C 13 36.134 0.036 . 1 . . 231 . A 166 LYS CB . 34663 1 456 . 1 . 1 51 51 LYS CG C 13 25.147 0.027 . 1 . . 692 . A 166 LYS CG . 34663 1 457 . 1 . 1 51 51 LYS CD C 13 28.954 0.016 . 1 . . 693 . A 166 LYS CD . 34663 1 458 . 1 . 1 51 51 LYS CE C 13 42.228 0.019 . 1 . . 700 . A 166 LYS CE . 34663 1 459 . 1 . 1 51 51 LYS N N 15 118.380 0.018 . 1 . . 60 . A 166 LYS N . 34663 1 460 . 1 . 1 52 52 VAL H H 1 9.150 0.005 . 1 . . 19 . A 167 VAL H . 34663 1 461 . 1 . 1 52 52 VAL HA H 1 4.782 0.005 . 1 . . 690 . A 167 VAL HA . 34663 1 462 . 1 . 1 52 52 VAL HB H 1 2.094 0.004 . 1 . . 686 . A 167 VAL HB . 34663 1 463 . 1 . 1 52 52 VAL HG11 H 1 0.685 0.002 . 2 . . 689 . A 167 VAL HG11 . 34663 1 464 . 1 . 1 52 52 VAL HG12 H 1 0.685 0.002 . 2 . . 689 . A 167 VAL HG12 . 34663 1 465 . 1 . 1 52 52 VAL HG13 H 1 0.685 0.002 . 2 . . 689 . A 167 VAL HG13 . 34663 1 466 . 1 . 1 52 52 VAL HG21 H 1 0.821 0.003 . 2 . . 691 . A 167 VAL HG21 . 34663 1 467 . 1 . 1 52 52 VAL HG22 H 1 0.821 0.003 . 2 . . 691 . A 167 VAL HG22 . 34663 1 468 . 1 . 1 52 52 VAL HG23 H 1 0.821 0.003 . 2 . . 691 . A 167 VAL HG23 . 34663 1 469 . 1 . 1 52 52 VAL C C 13 174.036 . . 1 . . 173 . A 167 VAL C . 34663 1 470 . 1 . 1 52 52 VAL CA C 13 59.324 0.095 . 1 . . 172 . A 167 VAL CA . 34663 1 471 . 1 . 1 52 52 VAL CB C 13 36.322 0.023 . 1 . . 396 . A 167 VAL CB . 34663 1 472 . 1 . 1 52 52 VAL CG1 C 13 19.214 0.039 . 2 . . 688 . A 167 VAL CG1 . 34663 1 473 . 1 . 1 52 52 VAL CG2 C 13 22.482 0.028 . 2 . . 687 . A 167 VAL CG2 . 34663 1 474 . 1 . 1 52 52 VAL N N 15 114.284 0.032 . 1 . . 20 . A 167 VAL N . 34663 1 475 . 1 . 1 53 53 SER H H 1 8.045 0.004 . 1 . . 1002 . A 168 SER H . 34663 1 476 . 1 . 1 53 53 SER HA H 1 5.499 0.005 . 1 . . 839 . A 168 SER HA . 34663 1 477 . 1 . 1 53 53 SER HB2 H 1 3.850 0.002 . 2 . . 842 . A 168 SER HB2 . 34663 1 478 . 1 . 1 53 53 SER HB3 H 1 3.709 0.002 . 2 . . 843 . A 168 SER HB3 . 34663 1 479 . 1 . 1 53 53 SER C C 13 173.311 . . 1 . . 878 . A 168 SER C . 34663 1 480 . 1 . 1 53 53 SER CA C 13 56.994 0.042 . 1 . . 840 . A 168 SER CA . 34663 1 481 . 1 . 1 53 53 SER CB C 13 65.648 0.055 . 1 . . 841 . A 168 SER CB . 34663 1 482 . 1 . 1 53 53 SER N N 15 114.345 . . 1 . . 1001 . A 168 SER N . 34663 1 483 . 1 . 1 54 54 ILE H H 1 9.014 0.003 . 1 . . 95 . A 169 ILE H . 34663 1 484 . 1 . 1 54 54 ILE HA H 1 4.109 0.002 . 1 . . 873 . A 169 ILE HA . 34663 1 485 . 1 . 1 54 54 ILE HB H 1 1.909 0.004 . 1 . . 874 . A 169 ILE HB . 34663 1 486 . 1 . 1 54 54 ILE HG12 H 1 1.013 0.002 . 2 . . 871 . A 169 ILE HG12 . 34663 1 487 . 1 . 1 54 54 ILE HG13 H 1 1.342 0.002 . 2 . . 872 . A 169 ILE HG13 . 34663 1 488 . 1 . 1 54 54 ILE HG21 H 1 0.379 0.004 . 1 . . 870 . A 169 ILE HG21 . 34663 1 489 . 1 . 1 54 54 ILE HG22 H 1 0.379 0.004 . 1 . . 870 . A 169 ILE HG22 . 34663 1 490 . 1 . 1 54 54 ILE HG23 H 1 0.379 0.004 . 1 . . 870 . A 169 ILE HG23 . 34663 1 491 . 1 . 1 54 54 ILE HD11 H 1 0.536 0.003 . 1 . . 867 . A 169 ILE HD11 . 34663 1 492 . 1 . 1 54 54 ILE HD12 H 1 0.536 0.003 . 1 . . 867 . A 169 ILE HD12 . 34663 1 493 . 1 . 1 54 54 ILE HD13 H 1 0.536 0.003 . 1 . . 867 . A 169 ILE HD13 . 34663 1 494 . 1 . 1 54 54 ILE C C 13 173.023 . . 1 . . 299 . A 169 ILE C . 34663 1 495 . 1 . 1 54 54 ILE CA C 13 61.215 0.066 . 1 . . 298 . A 169 ILE CA . 34663 1 496 . 1 . 1 54 54 ILE CB C 13 39.409 0.026 . 1 . . 300 . A 169 ILE CB . 34663 1 497 . 1 . 1 54 54 ILE CG1 C 13 27.023 0.026 . 1 . . 868 . A 169 ILE CG1 . 34663 1 498 . 1 . 1 54 54 ILE CG2 C 13 16.068 0.02 . 1 . . 869 . A 169 ILE CG2 . 34663 1 499 . 1 . 1 54 54 ILE CD1 C 13 12.622 0.021 . 1 . . 866 . A 169 ILE CD1 . 34663 1 500 . 1 . 1 54 54 ILE N N 15 123.248 0.054 . 1 . . 96 . A 169 ILE N . 34663 1 501 . 1 . 1 55 55 VAL H H 1 8.246 0.003 . 1 . . 998 . A 170 VAL H . 34663 1 502 . 1 . 1 55 55 VAL HA H 1 4.596 0.007 . 1 . . 849 . A 170 VAL HA . 34663 1 503 . 1 . 1 55 55 VAL HB H 1 1.883 0.005 . 1 . . 862 . A 170 VAL HB . 34663 1 504 . 1 . 1 55 55 VAL HG11 H 1 0.816 0.005 . 2 . . 864 . A 170 VAL HG11 . 34663 1 505 . 1 . 1 55 55 VAL HG12 H 1 0.816 0.005 . 2 . . 864 . A 170 VAL HG12 . 34663 1 506 . 1 . 1 55 55 VAL HG13 H 1 0.816 0.005 . 2 . . 864 . A 170 VAL HG13 . 34663 1 507 . 1 . 1 55 55 VAL HG21 H 1 0.887 0.0 . 2 . . 937 . A 170 VAL HG21 . 34663 1 508 . 1 . 1 55 55 VAL HG22 H 1 0.887 0.0 . 2 . . 937 . A 170 VAL HG22 . 34663 1 509 . 1 . 1 55 55 VAL HG23 H 1 0.887 0.0 . 2 . . 937 . A 170 VAL HG23 . 34663 1 510 . 1 . 1 55 55 VAL C C 13 175.290 . . 1 . . 879 . A 170 VAL C . 34663 1 511 . 1 . 1 55 55 VAL CA C 13 59.771 0.023 . 1 . . 1060 . A 170 VAL CA . 34663 1 512 . 1 . 1 55 55 VAL CB C 13 35.011 0.031 . 1 . . 863 . A 170 VAL CB . 34663 1 513 . 1 . 1 55 55 VAL CG1 C 13 20.728 0.06 . 2 . . 865 . A 170 VAL CG1 . 34663 1 514 . 1 . 1 55 55 VAL CG2 C 13 21.267 0.0 . 2 . . 938 . A 170 VAL CG2 . 34663 1 515 . 1 . 1 55 55 VAL N N 15 126.206 . . 1 . . 999 . A 170 VAL N . 34663 1 516 . 1 . 1 56 56 SER H H 1 9.180 0.006 . 1 . . 846 . A 171 SER H . 34663 1 517 . 1 . 1 56 56 SER HA H 1 4.995 0.01 . 1 . . 850 . A 171 SER HA . 34663 1 518 . 1 . 1 56 56 SER HB2 H 1 4.317 0.005 . 2 . . 851 . A 171 SER HB2 . 34663 1 519 . 1 . 1 56 56 SER HB3 H 1 3.943 0.002 . 2 . . 852 . A 171 SER HB3 . 34663 1 520 . 1 . 1 56 56 SER C C 13 173.596 . . 1 . . 875 . A 171 SER C . 34663 1 521 . 1 . 1 56 56 SER CA C 13 56.993 0.068 . 1 . . 939 . A 171 SER CA . 34663 1 522 . 1 . 1 56 56 SER CB C 13 66.634 0.047 . 1 . . 848 . A 171 SER CB . 34663 1 523 . 1 . 1 56 56 SER N N 15 120.621 0.062 . 1 . . 847 . A 171 SER N . 34663 1 524 . 1 . 1 57 57 SER HA H 1 4.599 0.005 . 1 . . 889 . A 172 SER HA . 34663 1 525 . 1 . 1 57 57 SER HB2 H 1 4.041 0.002 . 2 . . 890 . A 172 SER HB2 . 34663 1 526 . 1 . 1 57 57 SER HB3 H 1 3.923 0.002 . 2 . . 891 . A 172 SER HB3 . 34663 1 527 . 1 . 1 57 57 SER C C 13 173.777 . . 1 . . 888 . A 172 SER C . 34663 1 528 . 1 . 1 57 57 SER CA C 13 58.846 0.027 . 1 . . 887 . A 172 SER CA . 34663 1 529 . 1 . 1 57 57 SER CB C 13 63.671 0.058 . 1 . . 886 . A 172 SER CB . 34663 1 530 . 1 . 1 58 58 THR H H 1 7.693 0.007 . 1 . . 880 . A 173 THR H . 34663 1 531 . 1 . 1 58 58 THR HA H 1 4.805 0.002 . 1 . . 942 . A 173 THR HA . 34663 1 532 . 1 . 1 58 58 THR HB H 1 4.227 0.004 . 1 . . 884 . A 173 THR HB . 34663 1 533 . 1 . 1 58 58 THR HG21 H 1 1.194 0.001 . 1 . . 885 . A 173 THR HG21 . 34663 1 534 . 1 . 1 58 58 THR HG22 H 1 1.194 0.001 . 1 . . 885 . A 173 THR HG22 . 34663 1 535 . 1 . 1 58 58 THR HG23 H 1 1.194 0.001 . 1 . . 885 . A 173 THR HG23 . 34663 1 536 . 1 . 1 58 58 THR C C 13 172.197 . . 1 . . 883 . A 173 THR C . 34663 1 537 . 1 . 1 58 58 THR CA C 13 58.576 0.087 . 1 . . 940 . A 173 THR CA . 34663 1 538 . 1 . 1 58 58 THR CB C 13 69.902 0.063 . 1 . . 882 . A 173 THR CB . 34663 1 539 . 1 . 1 58 58 THR CG2 C 13 21.254 0.017 . 1 . . 941 . A 173 THR CG2 . 34663 1 540 . 1 . 1 58 58 THR N N 15 113.903 0.07 . 1 . . 881 . A 173 THR N . 34663 1 541 . 1 . 1 59 59 PRO HA H 1 4.181 0.004 . 1 . . 446 . A 174 PRO HA . 34663 1 542 . 1 . 1 59 59 PRO HB2 H 1 1.912 0.005 . 2 . . 857 . A 174 PRO HB2 . 34663 1 543 . 1 . 1 59 59 PRO HB3 H 1 1.778 0.002 . 2 . . 858 . A 174 PRO HB3 . 34663 1 544 . 1 . 1 59 59 PRO HG2 H 1 2.115 0.002 . 2 . . 748 . A 174 PRO HG2 . 34663 1 545 . 1 . 1 59 59 PRO HG3 H 1 2.114 0.001 . 2 . . 859 . A 174 PRO HG3 . 34663 1 546 . 1 . 1 59 59 PRO HD2 H 1 3.681 0.002 . 2 . . 860 . A 174 PRO HD2 . 34663 1 547 . 1 . 1 59 59 PRO HD3 H 1 3.828 0.001 . 2 . . 861 . A 174 PRO HD3 . 34663 1 548 . 1 . 1 59 59 PRO CA C 13 63.288 0.025 . 1 . . 853 . A 174 PRO CA . 34663 1 549 . 1 . 1 59 59 PRO CB C 13 31.996 0.023 . 1 . . 854 . A 174 PRO CB . 34663 1 550 . 1 . 1 59 59 PRO CG C 13 28.132 0.015 . 1 . . 855 . A 174 PRO CG . 34663 1 551 . 1 . 1 59 59 PRO CD C 13 51.135 0.038 . 1 . . 856 . A 174 PRO CD . 34663 1 552 . 1 . 1 60 60 LEU H H 1 8.671 0.001 . 1 . . 45 . A 175 LEU H . 34663 1 553 . 1 . 1 60 60 LEU HA H 1 4.987 0.004 . 1 . . 447 . A 175 LEU HA . 34663 1 554 . 1 . 1 60 60 LEU HB2 H 1 1.922 0.004 . 2 . . 683 . A 175 LEU HB2 . 34663 1 555 . 1 . 1 60 60 LEU HB3 H 1 1.515 0.003 . 2 . . 684 . A 175 LEU HB3 . 34663 1 556 . 1 . 1 60 60 LEU HG H 1 2.041 0.003 . 1 . . 685 . A 175 LEU HG . 34663 1 557 . 1 . 1 60 60 LEU HD11 H 1 0.740 0.002 . 2 . . 944 . A 175 LEU HD11 . 34663 1 558 . 1 . 1 60 60 LEU HD12 H 1 0.740 0.002 . 2 . . 944 . A 175 LEU HD12 . 34663 1 559 . 1 . 1 60 60 LEU HD13 H 1 0.740 0.002 . 2 . . 944 . A 175 LEU HD13 . 34663 1 560 . 1 . 1 60 60 LEU HD21 H 1 0.847 0.002 . 2 . . 945 . A 175 LEU HD21 . 34663 1 561 . 1 . 1 60 60 LEU HD22 H 1 0.847 0.002 . 2 . . 945 . A 175 LEU HD22 . 34663 1 562 . 1 . 1 60 60 LEU HD23 H 1 0.847 0.002 . 2 . . 945 . A 175 LEU HD23 . 34663 1 563 . 1 . 1 60 60 LEU C C 13 177.733 0.026 . 1 . . 209 . A 175 LEU C . 34663 1 564 . 1 . 1 60 60 LEU CA C 13 53.188 0.066 . 1 . . 207 . A 175 LEU CA . 34663 1 565 . 1 . 1 60 60 LEU CB C 13 45.070 0.028 . 1 . . 208 . A 175 LEU CB . 34663 1 566 . 1 . 1 60 60 LEU CG C 13 26.251 0.051 . 1 . . 943 . A 175 LEU CG . 34663 1 567 . 1 . 1 60 60 LEU CD1 C 13 26.141 0.037 . 2 . . 1119 . A 175 LEU CD1 . 34663 1 568 . 1 . 1 60 60 LEU CD2 C 13 23.000 0.024 . 2 . . 946 . A 175 LEU CD2 . 34663 1 569 . 1 . 1 60 60 LEU N N 15 123.640 0.028 . 1 . . 46 . A 175 LEU N . 34663 1 570 . 1 . 1 61 61 SER H H 1 9.366 0.003 . 1 . . 35 . A 176 SER H . 34663 1 571 . 1 . 1 61 61 SER HA H 1 4.747 0.004 . 1 . . 948 . A 176 SER HA . 34663 1 572 . 1 . 1 61 61 SER HB2 H 1 4.022 0.002 . 2 . . 947 . A 176 SER HB2 . 34663 1 573 . 1 . 1 61 61 SER HB3 H 1 4.431 0.003 . 2 . . 949 . A 176 SER HB3 . 34663 1 574 . 1 . 1 61 61 SER C C 13 174.772 0.032 . 1 . . 195 . A 176 SER C . 34663 1 575 . 1 . 1 61 61 SER CA C 13 57.470 0.116 . 1 . . 193 . A 176 SER CA . 34663 1 576 . 1 . 1 61 61 SER CB C 13 64.958 0.028 . 1 . . 194 . A 176 SER CB . 34663 1 577 . 1 . 1 61 61 SER N N 15 121.297 0.035 . 1 . . 36 . A 176 SER N . 34663 1 578 . 1 . 1 62 62 SER H H 1 9.260 0.003 . 1 . . 3 . A 177 SER H . 34663 1 579 . 1 . 1 62 62 SER HA H 1 3.950 0.005 . 1 . . 1057 . A 177 SER HA . 34663 1 580 . 1 . 1 62 62 SER HB2 H 1 4.092 0.001 . 2 . . 1058 . A 177 SER HB2 . 34663 1 581 . 1 . 1 62 62 SER HB3 H 1 4.090 0.002 . 2 . . 1059 . A 177 SER HB3 . 34663 1 582 . 1 . 1 62 62 SER C C 13 176.767 . . 1 . . 877 . A 177 SER C . 34663 1 583 . 1 . 1 62 62 SER CA C 13 62.638 0.109 . 1 . . 155 . A 177 SER CA . 34663 1 584 . 1 . 1 62 62 SER CB C 13 62.734 0.0 . 1 . . 876 . A 177 SER CB . 34663 1 585 . 1 . 1 62 62 SER N N 15 117.334 0.037 . 1 . . 4 . A 177 SER N . 34663 1 586 . 1 . 1 63 63 ARG H H 1 8.210 0.002 . 1 . . 23 . A 178 ARG H . 34663 1 587 . 1 . 1 63 63 ARG HA H 1 4.171 0.003 . 1 . . 671 . A 178 ARG HA . 34663 1 588 . 1 . 1 63 63 ARG HB2 H 1 1.902 0.004 . 2 . . 676 . A 178 ARG HB2 . 34663 1 589 . 1 . 1 63 63 ARG HB3 H 1 1.818 0.007 . 2 . . 678 . A 178 ARG HB3 . 34663 1 590 . 1 . 1 63 63 ARG HG2 H 1 1.634 0.002 . 2 . . 677 . A 178 ARG HG2 . 34663 1 591 . 1 . 1 63 63 ARG HG3 H 1 1.767 0.001 . 2 . . 679 . A 178 ARG HG3 . 34663 1 592 . 1 . 1 63 63 ARG HD2 H 1 3.221 0.002 . 2 . . 674 . A 178 ARG HD2 . 34663 1 593 . 1 . 1 63 63 ARG HD3 H 1 3.221 0.002 . 2 . . 675 . A 178 ARG HD3 . 34663 1 594 . 1 . 1 63 63 ARG C C 13 179.204 0.011 . 1 . . 177 . A 178 ARG C . 34663 1 595 . 1 . 1 63 63 ARG CA C 13 59.432 0.077 . 1 . . 178 . A 178 ARG CA . 34663 1 596 . 1 . 1 63 63 ARG CB C 13 30.331 0.036 . 1 . . 179 . A 178 ARG CB . 34663 1 597 . 1 . 1 63 63 ARG CG C 13 27.355 0.041 . 1 . . 673 . A 178 ARG CG . 34663 1 598 . 1 . 1 63 63 ARG CD C 13 43.173 0.001 . 1 . . 672 . A 178 ARG CD . 34663 1 599 . 1 . 1 63 63 ARG N N 15 120.960 0.031 . 1 . . 24 . A 178 ARG N . 34663 1 600 . 1 . 1 64 64 GLU H H 1 7.728 0.002 . 1 . . 287 . A 179 GLU H . 34663 1 601 . 1 . 1 64 64 GLU HA H 1 4.067 0.004 . 1 . . 448 . A 179 GLU HA . 34663 1 602 . 1 . 1 64 64 GLU HB2 H 1 2.317 0.008 . 2 . . 666 . A 179 GLU HB2 . 34663 1 603 . 1 . 1 64 64 GLU HB3 H 1 2.052 0.004 . 2 . . 668 . A 179 GLU HB3 . 34663 1 604 . 1 . 1 64 64 GLU HG2 H 1 2.328 0.006 . 2 . . 669 . A 179 GLU HG2 . 34663 1 605 . 1 . 1 64 64 GLU HG3 H 1 2.327 0.006 . 2 . . 670 . A 179 GLU HG3 . 34663 1 606 . 1 . 1 64 64 GLU C C 13 179.152 0.009 . 1 . . 291 . A 179 GLU C . 34663 1 607 . 1 . 1 64 64 GLU CA C 13 58.940 0.061 . 1 . . 289 . A 179 GLU CA . 34663 1 608 . 1 . 1 64 64 GLU CB C 13 30.889 0.022 . 1 . . 290 . A 179 GLU CB . 34663 1 609 . 1 . 1 64 64 GLU CG C 13 37.183 0.014 . 1 . . 667 . A 179 GLU CG . 34663 1 610 . 1 . 1 64 64 GLU N N 15 120.462 0.048 . 1 . . 288 . A 179 GLU N . 34663 1 611 . 1 . 1 65 65 LEU H H 1 9.057 0.003 . 1 . . 33 . A 180 LEU H . 34663 1 612 . 1 . 1 65 65 LEU HA H 1 3.814 0.004 . 1 . . 449 . A 180 LEU HA . 34663 1 613 . 1 . 1 65 65 LEU HB2 H 1 1.974 0.004 . 2 . . 658 . A 180 LEU HB2 . 34663 1 614 . 1 . 1 65 65 LEU HB3 H 1 1.540 0.003 . 2 . . 659 . A 180 LEU HB3 . 34663 1 615 . 1 . 1 65 65 LEU HG H 1 1.266 0.003 . 1 . . 660 . A 180 LEU HG . 34663 1 616 . 1 . 1 65 65 LEU HD11 H 1 -0.001 0.002 . 2 . . 664 . A 180 LEU HD11 . 34663 1 617 . 1 . 1 65 65 LEU HD12 H 1 -0.001 0.002 . 2 . . 664 . A 180 LEU HD12 . 34663 1 618 . 1 . 1 65 65 LEU HD13 H 1 -0.001 0.002 . 2 . . 664 . A 180 LEU HD13 . 34663 1 619 . 1 . 1 65 65 LEU HD21 H 1 0.449 0.004 . 2 . . 665 . A 180 LEU HD21 . 34663 1 620 . 1 . 1 65 65 LEU HD22 H 1 0.449 0.004 . 2 . . 665 . A 180 LEU HD22 . 34663 1 621 . 1 . 1 65 65 LEU HD23 H 1 0.449 0.004 . 2 . . 665 . A 180 LEU HD23 . 34663 1 622 . 1 . 1 65 65 LEU C C 13 178.202 0.008 . 1 . . 192 . A 180 LEU C . 34663 1 623 . 1 . 1 65 65 LEU CA C 13 57.122 0.059 . 1 . . 191 . A 180 LEU CA . 34663 1 624 . 1 . 1 65 65 LEU CB C 13 40.595 0.028 . 1 . . 190 . A 180 LEU CB . 34663 1 625 . 1 . 1 65 65 LEU CG C 13 27.406 0.021 . 1 . . 662 . A 180 LEU CG . 34663 1 626 . 1 . 1 65 65 LEU CD1 C 13 21.448 0.011 . 2 . . 663 . A 180 LEU CD1 . 34663 1 627 . 1 . 1 65 65 LEU CD2 C 13 24.579 0.02 . 2 . . 661 . A 180 LEU CD2 . 34663 1 628 . 1 . 1 65 65 LEU N N 15 120.671 0.03 . 1 . . 34 . A 180 LEU N . 34663 1 629 . 1 . 1 66 66 TYR H H 1 8.014 0.005 . 1 . . 55 . A 181 TYR H . 34663 1 630 . 1 . 1 66 66 TYR HA H 1 4.058 0.005 . 1 . . 655 . A 181 TYR HA . 34663 1 631 . 1 . 1 66 66 TYR HB2 H 1 3.174 0.004 . 2 . . 656 . A 181 TYR HB2 . 34663 1 632 . 1 . 1 66 66 TYR HB3 H 1 3.118 0.003 . 2 . . 657 . A 181 TYR HB3 . 34663 1 633 . 1 . 1 66 66 TYR HD1 H 1 7.022 0.005 . 1 . . 991 . A 181 TYR HD1 . 34663 1 634 . 1 . 1 66 66 TYR HD2 H 1 7.022 0.005 . 1 . . 991 . A 181 TYR HD2 . 34663 1 635 . 1 . 1 66 66 TYR HE1 H 1 6.894 0.002 . 1 . . 992 . A 181 TYR HE1 . 34663 1 636 . 1 . 1 66 66 TYR HE2 H 1 6.894 0.002 . 1 . . 992 . A 181 TYR HE2 . 34663 1 637 . 1 . 1 66 66 TYR C C 13 176.337 0.008 . 1 . . 223 . A 181 TYR C . 34663 1 638 . 1 . 1 66 66 TYR CA C 13 62.608 0.077 . 1 . . 221 . A 181 TYR CA . 34663 1 639 . 1 . 1 66 66 TYR CB C 13 37.945 0.019 . 1 . . 222 . A 181 TYR CB . 34663 1 640 . 1 . 1 66 66 TYR CD1 C 13 132.678 0.049 . 1 . . 1114 . A 181 TYR CD1 . 34663 1 641 . 1 . 1 66 66 TYR CD2 C 13 132.678 0.049 . 1 . . 1114 . A 181 TYR CD2 . 34663 1 642 . 1 . 1 66 66 TYR CE1 C 13 118.238 0.024 . 1 . . 1062 . A 181 TYR CE1 . 34663 1 643 . 1 . 1 66 66 TYR CE2 C 13 118.238 0.024 . 1 . . 1062 . A 181 TYR CE2 . 34663 1 644 . 1 . 1 66 66 TYR N N 15 118.477 0.011 . 1 . . 56 . A 181 TYR N . 34663 1 645 . 1 . 1 67 67 GLN H H 1 7.441 0.007 . 1 . . 65 . A 182 GLN H . 34663 1 646 . 1 . 1 67 67 GLN HA H 1 3.938 0.005 . 1 . . 649 . A 182 GLN HA . 34663 1 647 . 1 . 1 67 67 GLN HB2 H 1 2.256 0.001 . 2 . . 651 . A 182 GLN HB2 . 34663 1 648 . 1 . 1 67 67 GLN HB3 H 1 2.255 0.002 . 2 . . 654 . A 182 GLN HB3 . 34663 1 649 . 1 . 1 67 67 GLN HG2 H 1 2.581 0.002 . 2 . . 652 . A 182 GLN HG2 . 34663 1 650 . 1 . 1 67 67 GLN HG3 H 1 2.582 0.002 . 2 . . 653 . A 182 GLN HG3 . 34663 1 651 . 1 . 1 67 67 GLN HE21 H 1 6.953 0.002 . 1 . . 921 . A 182 GLN HE21 . 34663 1 652 . 1 . 1 67 67 GLN HE22 H 1 7.645 0.003 . 1 . . 923 . A 182 GLN HE22 . 34663 1 653 . 1 . 1 67 67 GLN C C 13 179.404 0.008 . 1 . . 248 . A 182 GLN C . 34663 1 654 . 1 . 1 67 67 GLN CA C 13 58.791 0.06 . 1 . . 246 . A 182 GLN CA . 34663 1 655 . 1 . 1 67 67 GLN CB C 13 28.161 0.039 . 1 . . 247 . A 182 GLN CB . 34663 1 656 . 1 . 1 67 67 GLN CG C 13 33.705 0.019 . 1 . . 650 . A 182 GLN CG . 34663 1 657 . 1 . 1 67 67 GLN N N 15 115.003 0.021 . 1 . . 66 . A 182 GLN N . 34663 1 658 . 1 . 1 67 67 GLN NE2 N 15 112.495 0.105 . 1 . . 922 . A 182 GLN NE2 . 34663 1 659 . 1 . 1 68 68 VAL H H 1 8.215 0.008 . 1 . . 53 . A 183 VAL H . 34663 1 660 . 1 . 1 68 68 VAL HA H 1 3.686 0.007 . 1 . . 450 . A 183 VAL HA . 34663 1 661 . 1 . 1 68 68 VAL HB H 1 2.102 0.008 . 1 . . 451 . A 183 VAL HB . 34663 1 662 . 1 . 1 68 68 VAL HG11 H 1 0.880 0.006 . 2 . . 647 . A 183 VAL HG11 . 34663 1 663 . 1 . 1 68 68 VAL HG12 H 1 0.880 0.006 . 2 . . 647 . A 183 VAL HG12 . 34663 1 664 . 1 . 1 68 68 VAL HG13 H 1 0.880 0.006 . 2 . . 647 . A 183 VAL HG13 . 34663 1 665 . 1 . 1 68 68 VAL HG21 H 1 1.071 0.005 . 2 . . 648 . A 183 VAL HG21 . 34663 1 666 . 1 . 1 68 68 VAL HG22 H 1 1.071 0.005 . 2 . . 648 . A 183 VAL HG22 . 34663 1 667 . 1 . 1 68 68 VAL HG23 H 1 1.071 0.005 . 2 . . 648 . A 183 VAL HG23 . 34663 1 668 . 1 . 1 68 68 VAL C C 13 178.161 0.005 . 1 . . 220 . A 183 VAL C . 34663 1 669 . 1 . 1 68 68 VAL CA C 13 66.583 0.063 . 1 . . 218 . A 183 VAL CA . 34663 1 670 . 1 . 1 68 68 VAL CB C 13 31.716 0.033 . 1 . . 219 . A 183 VAL CB . 34663 1 671 . 1 . 1 68 68 VAL CG1 C 13 21.287 0.01 . 2 . . 1017 . A 183 VAL CG1 . 34663 1 672 . 1 . 1 68 68 VAL CG2 C 13 23.101 0.032 . 2 . . 1018 . A 183 VAL CG2 . 34663 1 673 . 1 . 1 68 68 VAL N N 15 122.003 0.033 . 1 . . 54 . A 183 VAL N . 34663 1 674 . 1 . 1 69 69 PHE H H 1 8.859 0.006 . 1 . . 89 . A 184 PHE H . 34663 1 675 . 1 . 1 69 69 PHE HA H 1 3.983 0.003 . 1 . . 644 . A 184 PHE HA . 34663 1 676 . 1 . 1 69 69 PHE HB2 H 1 3.279 0.003 . 2 . . 645 . A 184 PHE HB2 . 34663 1 677 . 1 . 1 69 69 PHE HB3 H 1 2.733 0.005 . 2 . . 646 . A 184 PHE HB3 . 34663 1 678 . 1 . 1 69 69 PHE HD1 H 1 6.777 0.006 . 1 . . 994 . A 184 PHE HD1 . 34663 1 679 . 1 . 1 69 69 PHE HD2 H 1 6.777 0.006 . 1 . . 994 . A 184 PHE HD2 . 34663 1 680 . 1 . 1 69 69 PHE HE1 H 1 6.742 0.004 . 1 . . 993 . A 184 PHE HE1 . 34663 1 681 . 1 . 1 69 69 PHE HE2 H 1 6.742 0.004 . 1 . . 993 . A 184 PHE HE2 . 34663 1 682 . 1 . 1 69 69 PHE HZ H 1 6.470 0.002 . 1 . . 1015 . A 184 PHE HZ . 34663 1 683 . 1 . 1 69 69 PHE C C 13 175.843 0.004 . 1 . . 281 . A 184 PHE C . 34663 1 684 . 1 . 1 69 69 PHE CA C 13 60.344 0.054 . 1 . . 280 . A 184 PHE CA . 34663 1 685 . 1 . 1 69 69 PHE CB C 13 38.446 0.037 . 1 . . 279 . A 184 PHE CB . 34663 1 686 . 1 . 1 69 69 PHE CD1 C 13 132.304 0.026 . 1 . . 1115 . A 184 PHE CD1 . 34663 1 687 . 1 . 1 69 69 PHE CD2 C 13 132.304 0.026 . 1 . . 1115 . A 184 PHE CD2 . 34663 1 688 . 1 . 1 69 69 PHE CE1 C 13 130.214 0.017 . 1 . . 1116 . A 184 PHE CE1 . 34663 1 689 . 1 . 1 69 69 PHE CE2 C 13 130.214 0.017 . 1 . . 1116 . A 184 PHE CE2 . 34663 1 690 . 1 . 1 69 69 PHE CZ C 13 129.787 0.122 . 1 . . 1117 . A 184 PHE CZ . 34663 1 691 . 1 . 1 69 69 PHE N N 15 121.144 0.025 . 1 . . 90 . A 184 PHE N . 34663 1 692 . 1 . 1 70 70 LEU H H 1 8.275 0.004 . 1 . . 41 . A 185 LEU H . 34663 1 693 . 1 . 1 70 70 LEU HA H 1 3.461 0.004 . 1 . . 452 . A 185 LEU HA . 34663 1 694 . 1 . 1 70 70 LEU HB2 H 1 1.774 0.003 . 2 . . 641 . A 185 LEU HB2 . 34663 1 695 . 1 . 1 70 70 LEU HB3 H 1 1.253 0.003 . 2 . . 642 . A 185 LEU HB3 . 34663 1 696 . 1 . 1 70 70 LEU HG H 1 1.347 0.004 . 1 . . 643 . A 185 LEU HG . 34663 1 697 . 1 . 1 70 70 LEU HD11 H 1 0.732 0.007 . 2 . . 950 . A 185 LEU HD11 . 34663 1 698 . 1 . 1 70 70 LEU HD12 H 1 0.732 0.007 . 2 . . 950 . A 185 LEU HD12 . 34663 1 699 . 1 . 1 70 70 LEU HD13 H 1 0.732 0.007 . 2 . . 950 . A 185 LEU HD13 . 34663 1 700 . 1 . 1 70 70 LEU HD21 H 1 0.658 0.003 . 2 . . 952 . A 185 LEU HD21 . 34663 1 701 . 1 . 1 70 70 LEU HD22 H 1 0.658 0.003 . 2 . . 952 . A 185 LEU HD22 . 34663 1 702 . 1 . 1 70 70 LEU HD23 H 1 0.658 0.003 . 2 . . 952 . A 185 LEU HD23 . 34663 1 703 . 1 . 1 70 70 LEU C C 13 180.269 0.001 . 1 . . 204 . A 185 LEU C . 34663 1 704 . 1 . 1 70 70 LEU CA C 13 58.066 0.045 . 1 . . 202 . A 185 LEU CA . 34663 1 705 . 1 . 1 70 70 LEU CB C 13 41.513 0.025 . 1 . . 203 . A 185 LEU CB . 34663 1 706 . 1 . 1 70 70 LEU CG C 13 26.130 0.052 . 1 . . 951 . A 185 LEU CG . 34663 1 707 . 1 . 1 70 70 LEU CD1 C 13 25.573 0.02 . 2 . . 953 . A 185 LEU CD1 . 34663 1 708 . 1 . 1 70 70 LEU CD2 C 13 22.338 0.035 . 2 . . 954 . A 185 LEU CD2 . 34663 1 709 . 1 . 1 70 70 LEU N N 15 118.664 0.02 . 1 . . 42 . A 185 LEU N . 34663 1 710 . 1 . 1 71 71 SER H H 1 7.674 0.007 . 1 . . 149 . A 186 SER H . 34663 1 711 . 1 . 1 71 71 SER HA H 1 4.269 0.004 . 1 . . 957 . A 186 SER HA . 34663 1 712 . 1 . 1 71 71 SER HB2 H 1 4.069 0.005 . 2 . . 955 . A 186 SER HB2 . 34663 1 713 . 1 . 1 71 71 SER HB3 H 1 4.073 0.008 . 2 . . 956 . A 186 SER HB3 . 34663 1 714 . 1 . 1 71 71 SER C C 13 176.434 0.002 . 1 . . 640 . A 186 SER C . 34663 1 715 . 1 . 1 71 71 SER CA C 13 61.923 0.004 . 1 . . 359 . A 186 SER CA . 34663 1 716 . 1 . 1 71 71 SER CB C 13 62.815 0.047 . 1 . . 360 . A 186 SER CB . 34663 1 717 . 1 . 1 71 71 SER N N 15 115.956 0.006 . 1 . . 150 . A 186 SER N . 34663 1 718 . 1 . 1 72 72 VAL H H 1 8.353 0.006 . 1 . . 27 . A 187 VAL H . 34663 1 719 . 1 . 1 72 72 VAL HA H 1 3.802 0.007 . 1 . . 634 . A 187 VAL HA . 34663 1 720 . 1 . 1 72 72 VAL HB H 1 2.179 0.004 . 1 . . 637 . A 187 VAL HB . 34663 1 721 . 1 . 1 72 72 VAL HG11 H 1 1.108 0.001 . 2 . . 638 . A 187 VAL HG11 . 34663 1 722 . 1 . 1 72 72 VAL HG12 H 1 1.108 0.001 . 2 . . 638 . A 187 VAL HG12 . 34663 1 723 . 1 . 1 72 72 VAL HG13 H 1 1.108 0.001 . 2 . . 638 . A 187 VAL HG13 . 34663 1 724 . 1 . 1 72 72 VAL HG21 H 1 0.951 0.001 . 2 . . 639 . A 187 VAL HG21 . 34663 1 725 . 1 . 1 72 72 VAL HG22 H 1 0.951 0.001 . 2 . . 639 . A 187 VAL HG22 . 34663 1 726 . 1 . 1 72 72 VAL HG23 H 1 0.951 0.001 . 2 . . 639 . A 187 VAL HG23 . 34663 1 727 . 1 . 1 72 72 VAL C C 13 179.548 0.013 . 1 . . 183 . A 187 VAL C . 34663 1 728 . 1 . 1 72 72 VAL CA C 13 65.926 0.071 . 1 . . 184 . A 187 VAL CA . 34663 1 729 . 1 . 1 72 72 VAL CB C 13 31.446 0.028 . 1 . . 185 . A 187 VAL CB . 34663 1 730 . 1 . 1 72 72 VAL CG1 C 13 22.508 0.023 . 2 . . 635 . A 187 VAL CG1 . 34663 1 731 . 1 . 1 72 72 VAL CG2 C 13 20.839 0.028 . 2 . . 636 . A 187 VAL CG2 . 34663 1 732 . 1 . 1 72 72 VAL N N 15 122.437 0.036 . 1 . . 28 . A 187 VAL N . 34663 1 733 . 1 . 1 73 73 LEU H H 1 8.345 0.005 . 1 . . 145 . A 188 LEU H . 34663 1 734 . 1 . 1 73 73 LEU HA H 1 3.718 0.003 . 1 . . 453 . A 188 LEU HA . 34663 1 735 . 1 . 1 73 73 LEU HB2 H 1 1.552 0.005 . 2 . . 626 . A 188 LEU HB2 . 34663 1 736 . 1 . 1 73 73 LEU HB3 H 1 1.147 0.003 . 2 . . 627 . A 188 LEU HB3 . 34663 1 737 . 1 . 1 73 73 LEU HG H 1 0.988 0.004 . 1 . . 630 . A 188 LEU HG . 34663 1 738 . 1 . 1 73 73 LEU HD11 H 1 0.217 0.029 . 2 . . 628 . A 188 LEU HD11 . 34663 1 739 . 1 . 1 73 73 LEU HD12 H 1 0.217 0.029 . 2 . . 628 . A 188 LEU HD12 . 34663 1 740 . 1 . 1 73 73 LEU HD13 H 1 0.217 0.029 . 2 . . 628 . A 188 LEU HD13 . 34663 1 741 . 1 . 1 73 73 LEU HD21 H 1 0.287 0.002 . 2 . . 631 . A 188 LEU HD21 . 34663 1 742 . 1 . 1 73 73 LEU HD22 H 1 0.287 0.002 . 2 . . 631 . A 188 LEU HD22 . 34663 1 743 . 1 . 1 73 73 LEU HD23 H 1 0.287 0.002 . 2 . . 631 . A 188 LEU HD23 . 34663 1 744 . 1 . 1 73 73 LEU C C 13 178.760 0.009 . 1 . . 358 . A 188 LEU C . 34663 1 745 . 1 . 1 73 73 LEU CA C 13 58.458 0.025 . 1 . . 357 . A 188 LEU CA . 34663 1 746 . 1 . 1 73 73 LEU CB C 13 40.559 0.037 . 1 . . 356 . A 188 LEU CB . 34663 1 747 . 1 . 1 73 73 LEU CG C 13 26.393 0.026 . 1 . . 629 . A 188 LEU CG . 34663 1 748 . 1 . 1 73 73 LEU CD1 C 13 25.522 0.018 . 2 . . 632 . A 188 LEU CD1 . 34663 1 749 . 1 . 1 73 73 LEU CD2 C 13 22.719 0.024 . 2 . . 633 . A 188 LEU CD2 . 34663 1 750 . 1 . 1 73 73 LEU N N 15 121.570 0.027 . 1 . . 146 . A 188 LEU N . 34663 1 751 . 1 . 1 74 74 GLN H H 1 7.806 0.005 . 1 . . 39 . A 189 GLN H . 34663 1 752 . 1 . 1 74 74 GLN HA H 1 4.319 0.005 . 1 . . 618 . A 189 GLN HA . 34663 1 753 . 1 . 1 74 74 GLN HB2 H 1 2.280 0.002 . 2 . . 622 . A 189 GLN HB2 . 34663 1 754 . 1 . 1 74 74 GLN HB3 H 1 2.278 0.004 . 2 . . 623 . A 189 GLN HB3 . 34663 1 755 . 1 . 1 74 74 GLN HG2 H 1 2.399 0.004 . 2 . . 624 . A 189 GLN HG2 . 34663 1 756 . 1 . 1 74 74 GLN HG3 H 1 2.492 0.004 . 2 . . 625 . A 189 GLN HG3 . 34663 1 757 . 1 . 1 74 74 GLN HE21 H 1 7.361 0.003 . 1 . . 915 . A 189 GLN HE21 . 34663 1 758 . 1 . 1 74 74 GLN HE22 H 1 6.803 0.001 . 1 . . 1011 . A 189 GLN HE22 . 34663 1 759 . 1 . 1 74 74 GLN C C 13 180.731 0.001 . 1 . . 201 . A 189 GLN C . 34663 1 760 . 1 . 1 74 74 GLN CA C 13 59.279 0.07 . 1 . . 200 . A 189 GLN CA . 34663 1 761 . 1 . 1 74 74 GLN CB C 13 28.150 0.045 . 1 . . 199 . A 189 GLN CB . 34663 1 762 . 1 . 1 74 74 GLN CG C 13 33.802 0.008 . 1 . . 619 . A 189 GLN CG . 34663 1 763 . 1 . 1 74 74 GLN N N 15 118.880 0.012 . 1 . . 40 . A 189 GLN N . 34663 1 764 . 1 . 1 74 74 GLN NE2 N 15 111.028 0.059 . 1 . . 1012 . A 189 GLN NE2 . 34663 1 765 . 1 . 1 75 75 VAL H H 1 8.030 0.005 . 1 . . 97 . A 190 VAL H . 34663 1 766 . 1 . 1 75 75 VAL HA H 1 3.883 0.003 . 1 . . 454 . A 190 VAL HA . 34663 1 767 . 1 . 1 75 75 VAL HB H 1 2.278 0.003 . 1 . . 455 . A 190 VAL HB . 34663 1 768 . 1 . 1 75 75 VAL HG11 H 1 1.052 0.0 . 2 . . 620 . A 190 VAL HG11 . 34663 1 769 . 1 . 1 75 75 VAL HG12 H 1 1.052 0.0 . 2 . . 620 . A 190 VAL HG12 . 34663 1 770 . 1 . 1 75 75 VAL HG13 H 1 1.052 0.0 . 2 . . 620 . A 190 VAL HG13 . 34663 1 771 . 1 . 1 75 75 VAL HG21 H 1 1.142 0.002 . 2 . . 621 . A 190 VAL HG21 . 34663 1 772 . 1 . 1 75 75 VAL HG22 H 1 1.142 0.002 . 2 . . 621 . A 190 VAL HG22 . 34663 1 773 . 1 . 1 75 75 VAL HG23 H 1 1.142 0.002 . 2 . . 621 . A 190 VAL HG23 . 34663 1 774 . 1 . 1 75 75 VAL C C 13 177.567 0.001 . 1 . . 303 . A 190 VAL C . 34663 1 775 . 1 . 1 75 75 VAL CA C 13 65.343 0.08 . 1 . . 301 . A 190 VAL CA . 34663 1 776 . 1 . 1 75 75 VAL CB C 13 31.656 0.048 . 1 . . 302 . A 190 VAL CB . 34663 1 777 . 1 . 1 75 75 VAL CG1 C 13 22.219 . . 2 . . 617 . A 190 VAL CG1 . 34663 1 778 . 1 . 1 75 75 VAL CG2 C 13 21.194 . . 2 . . 616 . A 190 VAL CG2 . 34663 1 779 . 1 . 1 75 75 VAL N N 15 119.122 0.039 . 1 . . 98 . A 190 VAL N . 34663 1 780 . 1 . 1 76 76 SER H H 1 7.513 0.007 . 1 . . 85 . A 191 SER H . 34663 1 781 . 1 . 1 76 76 SER HA H 1 4.446 0.002 . 1 . . 456 . A 191 SER HA . 34663 1 782 . 1 . 1 76 76 SER HB2 H 1 4.142 0.003 . 2 . . 614 . A 191 SER HB2 . 34663 1 783 . 1 . 1 76 76 SER HB3 H 1 3.985 0.002 . 2 . . 615 . A 191 SER HB3 . 34663 1 784 . 1 . 1 76 76 SER C C 13 172.704 0.023 . 1 . . 276 . A 191 SER C . 34663 1 785 . 1 . 1 76 76 SER CA C 13 59.606 0.081 . 1 . . 274 . A 191 SER CA . 34663 1 786 . 1 . 1 76 76 SER CB C 13 63.783 0.074 . 1 . . 275 . A 191 SER CB . 34663 1 787 . 1 . 1 76 76 SER N N 15 114.366 0.006 . 1 . . 86 . A 191 SER N . 34663 1 788 . 1 . 1 77 77 GLY H H 1 7.537 0.006 . 1 . . 103 . A 192 GLY H . 34663 1 789 . 1 . 1 77 77 GLY HA2 H 1 3.622 0.005 . 2 . . 612 . A 192 GLY HA2 . 34663 1 790 . 1 . 1 77 77 GLY HA3 H 1 3.902 0.005 . 2 . . 613 . A 192 GLY HA3 . 34663 1 791 . 1 . 1 77 77 GLY C C 13 173.987 0.025 . 1 . . 310 . A 192 GLY C . 34663 1 792 . 1 . 1 77 77 GLY CA C 13 45.118 0.12 . 1 . . 311 . A 192 GLY CA . 34663 1 793 . 1 . 1 77 77 GLY N N 15 105.828 0.011 . 1 . . 104 . A 192 GLY N . 34663 1 794 . 1 . 1 78 78 TYR H H 1 8.237 0.004 . 1 . . 31 . A 193 TYR H . 34663 1 795 . 1 . 1 78 78 TYR HA H 1 5.171 0.004 . 1 . . 457 . A 193 TYR HA . 34663 1 796 . 1 . 1 78 78 TYR HB2 H 1 2.816 0.002 . 2 . . 610 . A 193 TYR HB2 . 34663 1 797 . 1 . 1 78 78 TYR HB3 H 1 2.282 0.002 . 2 . . 611 . A 193 TYR HB3 . 34663 1 798 . 1 . 1 78 78 TYR HD1 H 1 6.667 0.002 . 1 . . 990 . A 193 TYR HD1 . 34663 1 799 . 1 . 1 78 78 TYR HD2 H 1 6.667 0.002 . 1 . . 990 . A 193 TYR HD2 . 34663 1 800 . 1 . 1 78 78 TYR HE1 H 1 6.667 0.001 . 1 . . 989 . A 193 TYR HE1 . 34663 1 801 . 1 . 1 78 78 TYR HE2 H 1 6.667 0.001 . 1 . . 989 . A 193 TYR HE2 . 34663 1 802 . 1 . 1 78 78 TYR C C 13 172.930 0.001 . 1 . . 189 . A 193 TYR C . 34663 1 803 . 1 . 1 78 78 TYR CA C 13 56.614 0.058 . 1 . . 187 . A 193 TYR CA . 34663 1 804 . 1 . 1 78 78 TYR CB C 13 41.508 0.044 . 1 . . 188 . A 193 TYR CB . 34663 1 805 . 1 . 1 78 78 TYR CE1 C 13 118.691 0.012 . 1 . . 1061 . A 193 TYR CE1 . 34663 1 806 . 1 . 1 78 78 TYR CE2 C 13 118.691 0.012 . 1 . . 1061 . A 193 TYR CE2 . 34663 1 807 . 1 . 1 78 78 TYR N N 15 120.288 0.014 . 1 . . 32 . A 193 TYR N . 34663 1 808 . 1 . 1 79 79 ALA H H 1 9.075 0.005 . 1 . . 11 . A 194 ALA H . 34663 1 809 . 1 . 1 79 79 ALA HA H 1 4.537 0.003 . 1 . . 516 . A 194 ALA HA . 34663 1 810 . 1 . 1 79 79 ALA HB1 H 1 1.273 0.002 . 1 . . 515 . A 194 ALA HB1 . 34663 1 811 . 1 . 1 79 79 ALA HB2 H 1 1.273 0.002 . 1 . . 515 . A 194 ALA HB2 . 34663 1 812 . 1 . 1 79 79 ALA HB3 H 1 1.273 0.002 . 1 . . 515 . A 194 ALA HB3 . 34663 1 813 . 1 . 1 79 79 ALA C C 13 174.311 0.009 . 1 . . 163 . A 194 ALA C . 34663 1 814 . 1 . 1 79 79 ALA CA C 13 50.336 0.058 . 1 . . 164 . A 194 ALA CA . 34663 1 815 . 1 . 1 79 79 ALA CB C 13 22.388 0.034 . 1 . . 386 . A 194 ALA CB . 34663 1 816 . 1 . 1 79 79 ALA N N 15 122.952 0.024 . 1 . . 12 . A 194 ALA N . 34663 1 817 . 1 . 1 80 80 ALA H H 1 8.257 0.001 . 1 . . 51 . A 195 ALA H . 34663 1 818 . 1 . 1 80 80 ALA HA H 1 5.332 0.003 . 1 . . 458 . A 195 ALA HA . 34663 1 819 . 1 . 1 80 80 ALA HB1 H 1 1.091 0.002 . 1 . . 459 . A 195 ALA HB1 . 34663 1 820 . 1 . 1 80 80 ALA HB2 H 1 1.091 0.002 . 1 . . 459 . A 195 ALA HB2 . 34663 1 821 . 1 . 1 80 80 ALA HB3 H 1 1.091 0.002 . 1 . . 459 . A 195 ALA HB3 . 34663 1 822 . 1 . 1 80 80 ALA C C 13 176.675 0.004 . 1 . . 216 . A 195 ALA C . 34663 1 823 . 1 . 1 80 80 ALA CA C 13 49.807 0.103 . 1 . . 397 . A 195 ALA CA . 34663 1 824 . 1 . 1 80 80 ALA CB C 13 20.087 0.032 . 1 . . 217 . A 195 ALA CB . 34663 1 825 . 1 . 1 80 80 ALA N N 15 122.616 0.021 . 1 . . 52 . A 195 ALA N . 34663 1 826 . 1 . 1 81 81 ILE H H 1 9.516 0.004 . 1 . . 125 . A 196 ILE H . 34663 1 827 . 1 . 1 81 81 ILE HA H 1 4.776 0.003 . 1 . . 960 . A 196 ILE HA . 34663 1 828 . 1 . 1 81 81 ILE HB H 1 2.004 0.002 . 1 . . 958 . A 196 ILE HB . 34663 1 829 . 1 . 1 81 81 ILE HG12 H 1 1.456 0.002 . 2 . . 964 . A 196 ILE HG12 . 34663 1 830 . 1 . 1 81 81 ILE HG13 H 1 1.277 0.003 . 2 . . 965 . A 196 ILE HG13 . 34663 1 831 . 1 . 1 81 81 ILE HG21 H 1 0.926 0.001 . 1 . . 966 . A 196 ILE HG21 . 34663 1 832 . 1 . 1 81 81 ILE HG22 H 1 0.926 0.001 . 1 . . 966 . A 196 ILE HG22 . 34663 1 833 . 1 . 1 81 81 ILE HG23 H 1 0.926 0.001 . 1 . . 966 . A 196 ILE HG23 . 34663 1 834 . 1 . 1 81 81 ILE HD11 H 1 0.815 0.006 . 1 . . 961 . A 196 ILE HD11 . 34663 1 835 . 1 . 1 81 81 ILE HD12 H 1 0.815 0.006 . 1 . . 961 . A 196 ILE HD12 . 34663 1 836 . 1 . 1 81 81 ILE HD13 H 1 0.815 0.006 . 1 . . 961 . A 196 ILE HD13 . 34663 1 837 . 1 . 1 81 81 ILE C C 13 174.357 . . 1 . . 343 . A 196 ILE C . 34663 1 838 . 1 . 1 81 81 ILE CA C 13 56.808 0.036 . 1 . . 342 . A 196 ILE CA . 34663 1 839 . 1 . 1 81 81 ILE CB C 13 39.807 0.029 . 1 . . 341 . A 196 ILE CB . 34663 1 840 . 1 . 1 81 81 ILE CG1 C 13 26.363 0.014 . 1 . . 962 . A 196 ILE CG1 . 34663 1 841 . 1 . 1 81 81 ILE CG2 C 13 17.055 0.015 . 1 . . 963 . A 196 ILE CG2 . 34663 1 842 . 1 . 1 81 81 ILE CD1 C 13 11.984 0.017 . 1 . . 959 . A 196 ILE CD1 . 34663 1 843 . 1 . 1 81 81 ILE N N 15 124.897 0.026 . 1 . . 126 . A 196 ILE N . 34663 1 844 . 1 . 1 82 82 PRO HA H 1 4.725 0.004 . 1 . . 460 . A 197 PRO HA . 34663 1 845 . 1 . 1 82 82 PRO HB2 H 1 2.056 0.002 . 2 . . 967 . A 197 PRO HB2 . 34663 1 846 . 1 . 1 82 82 PRO HB3 H 1 2.304 0.016 . 2 . . 1081 . A 197 PRO HB3 . 34663 1 847 . 1 . 1 82 82 PRO HG2 H 1 2.266 0.016 . 2 . . 968 . A 197 PRO HG2 . 34663 1 848 . 1 . 1 82 82 PRO HG3 H 1 1.987 0.003 . 2 . . 969 . A 197 PRO HG3 . 34663 1 849 . 1 . 1 82 82 PRO HD2 H 1 3.871 0.0 . 2 . . 600 . A 197 PRO HD2 . 34663 1 850 . 1 . 1 82 82 PRO HD3 H 1 4.020 0.001 . 2 . . 1082 . A 197 PRO HD3 . 34663 1 851 . 1 . 1 82 82 PRO CA C 13 63.237 0.007 . 1 . . 596 . A 197 PRO CA . 34663 1 852 . 1 . 1 82 82 PRO CB C 13 32.316 0.016 . 1 . . 597 . A 197 PRO CB . 34663 1 853 . 1 . 1 82 82 PRO CG C 13 27.639 0.029 . 1 . . 598 . A 197 PRO CG . 34663 1 854 . 1 . 1 82 82 PRO CD C 13 51.417 0.012 . 1 . . 1083 . A 197 PRO CD . 34663 1 855 . 1 . 1 83 83 ASN H H 1 8.874 0.006 . 1 . . 63 . A 198 ASN H . 34663 1 856 . 1 . 1 83 83 ASN HA H 1 4.844 0.003 . 1 . . 593 . A 198 ASN HA . 34663 1 857 . 1 . 1 83 83 ASN HB2 H 1 2.773 0.001 . 2 . . 594 . A 198 ASN HB2 . 34663 1 858 . 1 . 1 83 83 ASN HB3 H 1 2.582 0.002 . 2 . . 595 . A 198 ASN HB3 . 34663 1 859 . 1 . 1 83 83 ASN HD21 H 1 6.934 0.002 . 1 . . 919 . A 198 ASN HD21 . 34663 1 860 . 1 . 1 83 83 ASN HD22 H 1 7.343 0.0 . 1 . . 1013 . A 198 ASN HD22 . 34663 1 861 . 1 . 1 83 83 ASN C C 13 174.793 0.013 . 1 . . 245 . A 198 ASN C . 34663 1 862 . 1 . 1 83 83 ASN CA C 13 52.808 0.138 . 1 . . 243 . A 198 ASN CA . 34663 1 863 . 1 . 1 83 83 ASN CB C 13 39.992 0.033 . 1 . . 244 . A 198 ASN CB . 34663 1 864 . 1 . 1 83 83 ASN N N 15 123.499 0.054 . 1 . . 64 . A 198 ASN N . 34663 1 865 . 1 . 1 83 83 ASN ND2 N 15 111.249 0.015 . 1 . . 902 . A 198 ASN ND2 . 34663 1 866 . 1 . 1 84 84 GLY H H 1 8.854 0.001 . 1 . . 67 . A 199 GLY H . 34663 1 867 . 1 . 1 84 84 GLY HA2 H 1 4.057 0.007 . 2 . . 591 . A 199 GLY HA2 . 34663 1 868 . 1 . 1 84 84 GLY HA3 H 1 3.637 0.006 . 2 . . 592 . A 199 GLY HA3 . 34663 1 869 . 1 . 1 84 84 GLY C C 13 175.015 0.008 . 1 . . 249 . A 199 GLY C . 34663 1 870 . 1 . 1 84 84 GLY CA C 13 46.938 0.092 . 1 . . 250 . A 199 GLY CA . 34663 1 871 . 1 . 1 84 84 GLY N N 15 114.152 0.02 . 1 . . 68 . A 199 GLY N . 34663 1 872 . 1 . 1 85 85 GLU H H 1 9.113 0.002 . 1 . . 127 . A 200 GLU H . 34663 1 873 . 1 . 1 85 85 GLU HA H 1 4.310 0.002 . 1 . . 461 . A 200 GLU HA . 34663 1 874 . 1 . 1 85 85 GLU HB2 H 1 2.253 0.015 . 2 . . 586 . A 200 GLU HB2 . 34663 1 875 . 1 . 1 85 85 GLU HB3 H 1 1.895 0.003 . 2 . . 587 . A 200 GLU HB3 . 34663 1 876 . 1 . 1 85 85 GLU HG2 H 1 2.284 0.017 . 2 . . 588 . A 200 GLU HG2 . 34663 1 877 . 1 . 1 85 85 GLU HG3 H 1 2.239 0.005 . 2 . . 589 . A 200 GLU HG3 . 34663 1 878 . 1 . 1 85 85 GLU C C 13 175.877 0.004 . 1 . . 346 . A 200 GLU C . 34663 1 879 . 1 . 1 85 85 GLU CA C 13 56.767 0.041 . 1 . . 344 . A 200 GLU CA . 34663 1 880 . 1 . 1 85 85 GLU CB C 13 30.001 0.026 . 1 . . 345 . A 200 GLU CB . 34663 1 881 . 1 . 1 85 85 GLU CG C 13 36.395 0.011 . 1 . . 590 . A 200 GLU CG . 34663 1 882 . 1 . 1 85 85 GLU N N 15 126.317 0.034 . 1 . . 128 . A 200 GLU N . 34663 1 883 . 1 . 1 86 86 ILE H H 1 7.632 0.004 . 1 . . 133 . A 201 ILE H . 34663 1 884 . 1 . 1 86 86 ILE HA H 1 4.634 0.003 . 1 . . 462 . A 201 ILE HA . 34663 1 885 . 1 . 1 86 86 ILE HB H 1 1.844 0.003 . 1 . . 463 . A 201 ILE HB . 34663 1 886 . 1 . 1 86 86 ILE HG12 H 1 1.498 0.002 . 2 . . 582 . A 201 ILE HG12 . 34663 1 887 . 1 . 1 86 86 ILE HG13 H 1 1.203 0.002 . 2 . . 583 . A 201 ILE HG13 . 34663 1 888 . 1 . 1 86 86 ILE HG21 H 1 0.807 0.005 . 1 . . 584 . A 201 ILE HG21 . 34663 1 889 . 1 . 1 86 86 ILE HG22 H 1 0.807 0.005 . 1 . . 584 . A 201 ILE HG22 . 34663 1 890 . 1 . 1 86 86 ILE HG23 H 1 0.807 0.005 . 1 . . 584 . A 201 ILE HG23 . 34663 1 891 . 1 . 1 86 86 ILE HD11 H 1 0.822 0.007 . 1 . . 585 . A 201 ILE HD11 . 34663 1 892 . 1 . 1 86 86 ILE HD12 H 1 0.822 0.007 . 1 . . 585 . A 201 ILE HD12 . 34663 1 893 . 1 . 1 86 86 ILE HD13 H 1 0.822 0.007 . 1 . . 585 . A 201 ILE HD13 . 34663 1 894 . 1 . 1 86 86 ILE C C 13 174.662 0.008 . 1 . . 375 . A 201 ILE C . 34663 1 895 . 1 . 1 86 86 ILE CA C 13 58.834 0.078 . 1 . . 374 . A 201 ILE CA . 34663 1 896 . 1 . 1 86 86 ILE CB C 13 41.566 0.028 . 1 . . 373 . A 201 ILE CB . 34663 1 897 . 1 . 1 86 86 ILE CG1 C 13 27.395 0.022 . 1 . . 579 . A 201 ILE CG1 . 34663 1 898 . 1 . 1 86 86 ILE CG2 C 13 19.661 0.015 . 1 . . 580 . A 201 ILE CG2 . 34663 1 899 . 1 . 1 86 86 ILE CD1 C 13 14.388 0.026 . 1 . . 581 . A 201 ILE CD1 . 34663 1 900 . 1 . 1 86 86 ILE N N 15 116.672 0.028 . 1 . . 134 . A 201 ILE N . 34663 1 901 . 1 . 1 87 87 ILE H H 1 8.345 0.003 . 1 . . 113 . A 202 ILE H . 34663 1 902 . 1 . 1 87 87 ILE HA H 1 4.374 0.005 . 1 . . 465 . A 202 ILE HA . 34663 1 903 . 1 . 1 87 87 ILE HB H 1 1.758 0.004 . 1 . . 464 . A 202 ILE HB . 34663 1 904 . 1 . 1 87 87 ILE HG12 H 1 0.898 0.012 . 2 . . 927 . A 202 ILE HG12 . 34663 1 905 . 1 . 1 87 87 ILE HG13 H 1 1.351 0.006 . 2 . . 928 . A 202 ILE HG13 . 34663 1 906 . 1 . 1 87 87 ILE HG21 H 1 0.873 0.008 . 1 . . 578 . A 202 ILE HG21 . 34663 1 907 . 1 . 1 87 87 ILE HG22 H 1 0.873 0.008 . 1 . . 578 . A 202 ILE HG22 . 34663 1 908 . 1 . 1 87 87 ILE HG23 H 1 0.873 0.008 . 1 . . 578 . A 202 ILE HG23 . 34663 1 909 . 1 . 1 87 87 ILE HD11 H 1 0.691 0.003 . 1 . . 577 . A 202 ILE HD11 . 34663 1 910 . 1 . 1 87 87 ILE HD12 H 1 0.691 0.003 . 1 . . 577 . A 202 ILE HD12 . 34663 1 911 . 1 . 1 87 87 ILE HD13 H 1 0.691 0.003 . 1 . . 577 . A 202 ILE HD13 . 34663 1 912 . 1 . 1 87 87 ILE C C 13 174.997 0.007 . 1 . . 325 . A 202 ILE C . 34663 1 913 . 1 . 1 87 87 ILE CA C 13 60.290 0.064 . 1 . . 324 . A 202 ILE CA . 34663 1 914 . 1 . 1 87 87 ILE CB C 13 39.305 0.07 . 1 . . 323 . A 202 ILE CB . 34663 1 915 . 1 . 1 87 87 ILE CG1 C 13 27.749 0.022 . 1 . . 925 . A 202 ILE CG1 . 34663 1 916 . 1 . 1 87 87 ILE CG2 C 13 18.720 0.016 . 1 . . 576 . A 202 ILE CG2 . 34663 1 917 . 1 . 1 87 87 ILE CD1 C 13 13.568 0.013 . 1 . . 926 . A 202 ILE CD1 . 34663 1 918 . 1 . 1 87 87 ILE N N 15 124.585 0.015 . 1 . . 114 . A 202 ILE N . 34663 1 919 . 1 . 1 88 88 LYS H H 1 8.782 0.005 . 1 . . 37 . A 203 LYS H . 34663 1 920 . 1 . 1 88 88 LYS HA H 1 5.172 0.004 . 1 . . 466 . A 203 LYS HA . 34663 1 921 . 1 . 1 88 88 LYS HB2 H 1 1.824 0.004 . 2 . . 573 . A 203 LYS HB2 . 34663 1 922 . 1 . 1 88 88 LYS HB3 H 1 1.720 0.014 . 2 . . 574 . A 203 LYS HB3 . 34663 1 923 . 1 . 1 88 88 LYS HG2 H 1 1.319 0.004 . 2 . . 1023 . A 203 LYS HG2 . 34663 1 924 . 1 . 1 88 88 LYS HG3 H 1 1.435 0.001 . 2 . . 1024 . A 203 LYS HG3 . 34663 1 925 . 1 . 1 88 88 LYS HD2 H 1 1.691 0.012 . 1 . . 1027 . A 203 LYS HD2 . 34663 1 926 . 1 . 1 88 88 LYS HD3 H 1 1.691 0.012 . 1 . . 1028 . A 203 LYS HD3 . 34663 1 927 . 1 . 1 88 88 LYS HE2 H 1 2.841 0.002 . 2 . . 1025 . A 203 LYS HE2 . 34663 1 928 . 1 . 1 88 88 LYS HE3 H 1 2.840 0.002 . 2 . . 1026 . A 203 LYS HE3 . 34663 1 929 . 1 . 1 88 88 LYS C C 13 175.602 0.013 . 1 . . 198 . A 203 LYS C . 34663 1 930 . 1 . 1 88 88 LYS CA C 13 55.136 0.032 . 1 . . 196 . A 203 LYS CA . 34663 1 931 . 1 . 1 88 88 LYS CB C 13 34.102 0.037 . 1 . . 197 . A 203 LYS CB . 34663 1 932 . 1 . 1 88 88 LYS CG C 13 25.596 0.017 . 1 . . 572 . A 203 LYS CG . 34663 1 933 . 1 . 1 88 88 LYS CD C 13 29.347 0.036 . 1 . . 571 . A 203 LYS CD . 34663 1 934 . 1 . 1 88 88 LYS CE C 13 41.624 0.007 . 1 . . 575 . A 203 LYS CE . 34663 1 935 . 1 . 1 88 88 LYS N N 15 128.581 0.014 . 1 . . 38 . A 203 LYS N . 34663 1 936 . 1 . 1 89 89 ILE H H 1 8.730 0.006 . 1 . . 105 . A 204 ILE H . 34663 1 937 . 1 . 1 89 89 ILE HA H 1 5.316 0.004 . 1 . . 467 . A 204 ILE HA . 34663 1 938 . 1 . 1 89 89 ILE HB H 1 1.864 0.004 . 1 . . 468 . A 204 ILE HB . 34663 1 939 . 1 . 1 89 89 ILE HG12 H 1 1.422 0.005 . 2 . . 567 . A 204 ILE HG12 . 34663 1 940 . 1 . 1 89 89 ILE HG13 H 1 1.304 0.002 . 2 . . 568 . A 204 ILE HG13 . 34663 1 941 . 1 . 1 89 89 ILE HG21 H 1 0.647 0.002 . 1 . . 569 . A 204 ILE HG21 . 34663 1 942 . 1 . 1 89 89 ILE HG22 H 1 0.647 0.002 . 1 . . 569 . A 204 ILE HG22 . 34663 1 943 . 1 . 1 89 89 ILE HG23 H 1 0.647 0.002 . 1 . . 569 . A 204 ILE HG23 . 34663 1 944 . 1 . 1 89 89 ILE HD11 H 1 0.649 0.002 . 1 . . 570 . A 204 ILE HD11 . 34663 1 945 . 1 . 1 89 89 ILE HD12 H 1 0.649 0.002 . 1 . . 570 . A 204 ILE HD12 . 34663 1 946 . 1 . 1 89 89 ILE HD13 H 1 0.649 0.002 . 1 . . 570 . A 204 ILE HD13 . 34663 1 947 . 1 . 1 89 89 ILE C C 13 175.214 0.002 . 1 . . 314 . A 204 ILE C . 34663 1 948 . 1 . 1 89 89 ILE CA C 13 59.043 0.084 . 1 . . 312 . A 204 ILE CA . 34663 1 949 . 1 . 1 89 89 ILE CB C 13 37.630 0.024 . 1 . . 313 . A 204 ILE CB . 34663 1 950 . 1 . 1 89 89 ILE CG1 C 13 26.937 0.042 . 1 . . 564 . A 204 ILE CG1 . 34663 1 951 . 1 . 1 89 89 ILE CG2 C 13 17.594 0.03 . 1 . . 565 . A 204 ILE CG2 . 34663 1 952 . 1 . 1 89 89 ILE CD1 C 13 12.223 0.015 . 1 . . 566 . A 204 ILE CD1 . 34663 1 953 . 1 . 1 89 89 ILE N N 15 124.500 0.026 . 1 . . 106 . A 204 ILE N . 34663 1 954 . 1 . 1 90 90 ILE H H 1 8.600 0.005 . 1 . . 13 . A 205 ILE H . 34663 1 955 . 1 . 1 90 90 ILE HA H 1 4.950 0.006 . 1 . . 556 . A 205 ILE HA . 34663 1 956 . 1 . 1 90 90 ILE HB H 1 1.940 0.002 . 1 . . 560 . A 205 ILE HB . 34663 1 957 . 1 . 1 90 90 ILE HG12 H 1 1.443 0.0 . 2 . . 561 . A 205 ILE HG12 . 34663 1 958 . 1 . 1 90 90 ILE HG13 H 1 0.972 0.009 . 2 . . 970 . A 205 ILE HG13 . 34663 1 959 . 1 . 1 90 90 ILE HG21 H 1 0.993 0.009 . 1 . . 562 . A 205 ILE HG21 . 34663 1 960 . 1 . 1 90 90 ILE HG22 H 1 0.993 0.009 . 1 . . 562 . A 205 ILE HG22 . 34663 1 961 . 1 . 1 90 90 ILE HG23 H 1 0.993 0.009 . 1 . . 562 . A 205 ILE HG23 . 34663 1 962 . 1 . 1 90 90 ILE HD11 H 1 0.835 0.003 . 1 . . 563 . A 205 ILE HD11 . 34663 1 963 . 1 . 1 90 90 ILE HD12 H 1 0.835 0.003 . 1 . . 563 . A 205 ILE HD12 . 34663 1 964 . 1 . 1 90 90 ILE HD13 H 1 0.835 0.003 . 1 . . 563 . A 205 ILE HD13 . 34663 1 965 . 1 . 1 90 90 ILE C C 13 173.063 . . 1 . . 167 . A 205 ILE C . 34663 1 966 . 1 . 1 90 90 ILE CA C 13 57.960 0.052 . 1 . . 166 . A 205 ILE CA . 34663 1 967 . 1 . 1 90 90 ILE CB C 13 41.458 0.041 . 1 . . 165 . A 205 ILE CB . 34663 1 968 . 1 . 1 90 90 ILE CG1 C 13 25.624 0.017 . 1 . . 557 . A 205 ILE CG1 . 34663 1 969 . 1 . 1 90 90 ILE CG2 C 13 18.234 0.012 . 1 . . 558 . A 205 ILE CG2 . 34663 1 970 . 1 . 1 90 90 ILE CD1 C 13 14.086 0.013 . 1 . . 559 . A 205 ILE CD1 . 34663 1 971 . 1 . 1 90 90 ILE N N 15 120.223 0.021 . 1 . . 14 . A 205 ILE N . 34663 1 972 . 1 . 1 91 91 PRO HA H 1 4.745 0.001 . 1 . . 1079 . A 206 PRO HA . 34663 1 973 . 1 . 1 91 91 PRO HB2 H 1 1.890 0.021 . 2 . . 1064 . A 206 PRO HB2 . 34663 1 974 . 1 . 1 91 91 PRO HB3 H 1 2.457 0.003 . 2 . . 1066 . A 206 PRO HB3 . 34663 1 975 . 1 . 1 91 91 PRO HG2 H 1 2.081 0.003 . 2 . . 1068 . A 206 PRO HG2 . 34663 1 976 . 1 . 1 91 91 PRO HG3 H 1 1.876 0.009 . 2 . . 1080 . A 206 PRO HG3 . 34663 1 977 . 1 . 1 91 91 PRO HD2 H 1 3.528 0.003 . 2 . . 971 . A 206 PRO HD2 . 34663 1 978 . 1 . 1 91 91 PRO HD3 H 1 3.755 0.002 . 2 . . 972 . A 206 PRO HD3 . 34663 1 979 . 1 . 1 91 91 PRO CA C 13 63.363 0.029 . 1 . . 1072 . A 206 PRO CA . 34663 1 980 . 1 . 1 91 91 PRO CB C 13 32.077 0.036 . 1 . . 1069 . A 206 PRO CB . 34663 1 981 . 1 . 1 91 91 PRO CG C 13 28.602 0.031 . 1 . . 1065 . A 206 PRO CG . 34663 1 982 . 1 . 1 91 91 PRO CD C 13 50.714 0.014 . 1 . . 1067 . A 206 PRO CD . 34663 1 983 . 1 . 1 92 92 ASN H H 1 8.538 0.007 . 1 . . 49 . A 207 ASN H . 34663 1 984 . 1 . 1 92 92 ASN HA H 1 4.477 0.005 . 1 . . 470 . A 207 ASN HA . 34663 1 985 . 1 . 1 92 92 ASN HB2 H 1 2.547 0.004 . 2 . . 548 . A 207 ASN HB2 . 34663 1 986 . 1 . 1 92 92 ASN HB3 H 1 2.425 0.006 . 2 . . 549 . A 207 ASN HB3 . 34663 1 987 . 1 . 1 92 92 ASN HD21 H 1 7.532 0.003 . 1 . . 907 . A 207 ASN HD21 . 34663 1 988 . 1 . 1 92 92 ASN HD22 H 1 6.723 0.007 . 1 . . 916 . A 207 ASN HD22 . 34663 1 989 . 1 . 1 92 92 ASN C C 13 175.830 0.006 . 1 . . 404 . A 207 ASN C . 34663 1 990 . 1 . 1 92 92 ASN CA C 13 53.685 0.027 . 1 . . 214 . A 207 ASN CA . 34663 1 991 . 1 . 1 92 92 ASN CB C 13 38.373 0.075 . 1 . . 213 . A 207 ASN CB . 34663 1 992 . 1 . 1 92 92 ASN CG C 13 175.493 . . 1 . . 924 . A 207 ASN CG . 34663 1 993 . 1 . 1 92 92 ASN N N 15 122.234 0.033 . 1 . . 50 . A 207 ASN N . 34663 1 994 . 1 . 1 92 92 ASN ND2 N 15 110.774 0.012 . 1 . . 908 . A 207 ASN ND2 . 34663 1 995 . 1 . 1 93 93 ILE H H 1 7.953 0.002 . 1 . . 43 . A 208 ILE H . 34663 1 996 . 1 . 1 93 93 ILE HA H 1 4.107 0.002 . 1 . . 471 . A 208 ILE HA . 34663 1 997 . 1 . 1 93 93 ILE HB H 1 1.867 0.003 . 1 . . 472 . A 208 ILE HB . 34663 1 998 . 1 . 1 93 93 ILE HG12 H 1 1.163 0.005 . 2 . . 545 . A 208 ILE HG12 . 34663 1 999 . 1 . 1 93 93 ILE HG13 H 1 1.419 0.0 . 2 . . 546 . A 208 ILE HG13 . 34663 1 1000 . 1 . 1 93 93 ILE HG21 H 1 0.884 0.009 . 1 . . 547 . A 208 ILE HG21 . 34663 1 1001 . 1 . 1 93 93 ILE HG22 H 1 0.884 0.009 . 1 . . 547 . A 208 ILE HG22 . 34663 1 1002 . 1 . 1 93 93 ILE HG23 H 1 0.884 0.009 . 1 . . 547 . A 208 ILE HG23 . 34663 1 1003 . 1 . 1 93 93 ILE HD11 H 1 0.866 0.007 . 1 . . 544 . A 208 ILE HD11 . 34663 1 1004 . 1 . 1 93 93 ILE HD12 H 1 0.866 0.007 . 1 . . 544 . A 208 ILE HD12 . 34663 1 1005 . 1 . 1 93 93 ILE HD13 H 1 0.866 0.007 . 1 . . 544 . A 208 ILE HD13 . 34663 1 1006 . 1 . 1 93 93 ILE C C 13 175.782 0.002 . 1 . . 215 . A 208 ILE C . 34663 1 1007 . 1 . 1 93 93 ILE CA C 13 61.675 0.031 . 1 . . 205 . A 208 ILE CA . 34663 1 1008 . 1 . 1 93 93 ILE CB C 13 38.809 0.048 . 1 . . 206 . A 208 ILE CB . 34663 1 1009 . 1 . 1 93 93 ILE CG1 C 13 27.245 0.037 . 1 . . 541 . A 208 ILE CG1 . 34663 1 1010 . 1 . 1 93 93 ILE CG2 C 13 17.510 0.043 . 1 . . 542 . A 208 ILE CG2 . 34663 1 1011 . 1 . 1 93 93 ILE CD1 C 13 13.390 0.022 . 1 . . 543 . A 208 ILE CD1 . 34663 1 1012 . 1 . 1 93 93 ILE N N 15 120.085 0.019 . 1 . . 44 . A 208 ILE N . 34663 1 1013 . 1 . 1 94 94 ASP H H 1 8.035 0.005 . 1 . . 9 . A 209 ASP H . 34663 1 1014 . 1 . 1 94 94 ASP HA H 1 4.644 0.008 . 1 . . 473 . A 209 ASP HA . 34663 1 1015 . 1 . 1 94 94 ASP HB2 H 1 2.742 . . 2 . . 973 . A 209 ASP HB2 . 34663 1 1016 . 1 . 1 94 94 ASP HB3 H 1 2.542 0.0 . 2 . . 974 . A 209 ASP HB3 . 34663 1 1017 . 1 . 1 94 94 ASP C C 13 176.122 0.0 . 1 . . 160 . A 209 ASP C . 34663 1 1018 . 1 . 1 94 94 ASP CA C 13 54.514 0.005 . 1 . . 162 . A 209 ASP CA . 34663 1 1019 . 1 . 1 94 94 ASP CB C 13 41.326 0.0 . 1 . . 161 . A 209 ASP CB . 34663 1 1020 . 1 . 1 94 94 ASP N N 15 122.983 0.021 . 1 . . 10 . A 209 ASP N . 34663 1 1021 . 1 . 1 95 95 ALA H H 1 8.010 0.003 . 1 . . 129 . A 210 ALA H . 34663 1 1022 . 1 . 1 95 95 ALA HA H 1 4.206 0.002 . 1 . . 474 . A 210 ALA HA . 34663 1 1023 . 1 . 1 95 95 ALA HB1 H 1 1.374 . . 1 . . 475 . A 210 ALA HB1 . 34663 1 1024 . 1 . 1 95 95 ALA HB2 H 1 1.374 . . 1 . . 475 . A 210 ALA HB2 . 34663 1 1025 . 1 . 1 95 95 ALA HB3 H 1 1.374 . . 1 . . 475 . A 210 ALA HB3 . 34663 1 1026 . 1 . 1 95 95 ALA C C 13 177.853 0.009 . 1 . . 349 . A 210 ALA C . 34663 1 1027 . 1 . 1 95 95 ALA CA C 13 53.161 0.002 . 1 . . 348 . A 210 ALA CA . 34663 1 1028 . 1 . 1 95 95 ALA CB C 13 19.044 0.001 . 1 . . 347 . A 210 ALA CB . 34663 1 1029 . 1 . 1 95 95 ALA N N 15 124.282 0.007 . 1 . . 130 . A 210 ALA N . 34663 1 1030 . 1 . 1 96 96 LYS H H 1 8.207 0.003 . 1 . . 25 . A 211 LYS H . 34663 1 1031 . 1 . 1 96 96 LYS HA H 1 4.329 0.007 . 1 . . 476 . A 211 LYS HA . 34663 1 1032 . 1 . 1 96 96 LYS HB2 H 1 1.841 0.009 . 2 . . 477 . A 211 LYS HB2 . 34663 1 1033 . 1 . 1 96 96 LYS HB3 H 1 1.820 0.008 . 2 . . 478 . A 211 LYS HB3 . 34663 1 1034 . 1 . 1 96 96 LYS HG2 H 1 1.459 0.004 . 2 . . 975 . A 211 LYS HG2 . 34663 1 1035 . 1 . 1 96 96 LYS HG3 H 1 1.419 0.001 . 2 . . 976 . A 211 LYS HG3 . 34663 1 1036 . 1 . 1 96 96 LYS HD2 H 1 1.681 0.001 . 2 . . 978 . A 211 LYS HD2 . 34663 1 1037 . 1 . 1 96 96 LYS HD3 H 1 1.681 0.001 . 2 . . 979 . A 211 LYS HD3 . 34663 1 1038 . 1 . 1 96 96 LYS HE2 H 1 3.007 0.001 . 2 . . 539 . A 211 LYS HE2 . 34663 1 1039 . 1 . 1 96 96 LYS HE3 H 1 3.008 0.0 . 2 . . 977 . A 211 LYS HE3 . 34663 1 1040 . 1 . 1 96 96 LYS C C 13 177.085 0.002 . 1 . . 182 . A 211 LYS C . 34663 1 1041 . 1 . 1 96 96 LYS CA C 13 56.665 0.03 . 1 . . 181 . A 211 LYS CA . 34663 1 1042 . 1 . 1 96 96 LYS CB C 13 32.752 0.011 . 1 . . 180 . A 211 LYS CB . 34663 1 1043 . 1 . 1 96 96 LYS CG C 13 24.718 0.028 . 1 . . 537 . A 211 LYS CG . 34663 1 1044 . 1 . 1 96 96 LYS CD C 13 28.864 0.009 . 1 . . 538 . A 211 LYS CD . 34663 1 1045 . 1 . 1 96 96 LYS CE C 13 41.919 0.007 . 1 . . 540 . A 211 LYS CE . 34663 1 1046 . 1 . 1 96 96 LYS N N 15 119.061 0.021 . 1 . . 26 . A 211 LYS N . 34663 1 1047 . 1 . 1 97 97 THR H H 1 7.968 0.016 . 1 . . 83 . A 212 THR H . 34663 1 1048 . 1 . 1 97 97 THR HA H 1 4.298 0.003 . 1 . . 533 . A 212 THR HA . 34663 1 1049 . 1 . 1 97 97 THR HB H 1 4.210 0.006 . 1 . . 532 . A 212 THR HB . 34663 1 1050 . 1 . 1 97 97 THR HG1 H 1 1.194 0.003 . 1 . . 535 . A 212 THR HG1 . 34663 1 1051 . 1 . 1 97 97 THR HG21 H 1 1.188 0.014 . 1 . . 536 . A 212 THR HG21 . 34663 1 1052 . 1 . 1 97 97 THR HG22 H 1 1.188 0.014 . 1 . . 536 . A 212 THR HG22 . 34663 1 1053 . 1 . 1 97 97 THR HG23 H 1 1.188 0.014 . 1 . . 536 . A 212 THR HG23 . 34663 1 1054 . 1 . 1 97 97 THR C C 13 174.427 0.008 . 1 . . 273 . A 212 THR C . 34663 1 1055 . 1 . 1 97 97 THR CA C 13 62.184 0.006 . 1 . . 271 . A 212 THR CA . 34663 1 1056 . 1 . 1 97 97 THR CB C 13 69.657 0.034 . 1 . . 272 . A 212 THR CB . 34663 1 1057 . 1 . 1 97 97 THR CG2 C 13 21.826 0.249 . 1 . . 534 . A 212 THR CG2 . 34663 1 1058 . 1 . 1 97 97 THR N N 15 114.091 0.023 . 1 . . 84 . A 212 THR N . 34663 1 1059 . 1 . 1 98 98 GLN H H 1 8.270 0.003 . 1 . . 144 . A 213 GLN H . 34663 1 1060 . 1 . 1 98 98 GLN HA H 1 4.382 0.008 . 1 . . 479 . A 213 GLN HA . 34663 1 1061 . 1 . 1 98 98 GLN HB2 H 1 2.113 0.002 . 2 . . 529 . A 213 GLN HB2 . 34663 1 1062 . 1 . 1 98 98 GLN HB3 H 1 1.967 0.003 . 2 . . 530 . A 213 GLN HB3 . 34663 1 1063 . 1 . 1 98 98 GLN HG2 H 1 2.357 0.002 . 2 . . 528 . A 213 GLN HG2 . 34663 1 1064 . 1 . 1 98 98 GLN HG3 H 1 2.360 0.002 . 2 . . 531 . A 213 GLN HG3 . 34663 1 1065 . 1 . 1 98 98 GLN HE21 H 1 6.822 0.002 . 1 . . 909 . A 213 GLN HE21 . 34663 1 1066 . 1 . 1 98 98 GLN HE22 H 1 7.510 0.002 . 1 . . 917 . A 213 GLN HE22 . 34663 1 1067 . 1 . 1 98 98 GLN C C 13 175.528 0.002 . 1 . . 355 . A 213 GLN C . 34663 1 1068 . 1 . 1 98 98 GLN CA C 13 55.486 0.068 . 1 . . 353 . A 213 GLN CA . 34663 1 1069 . 1 . 1 98 98 GLN CB C 13 29.715 0.027 . 1 . . 354 . A 213 GLN CB . 34663 1 1070 . 1 . 1 98 98 GLN CG C 13 33.757 0.007 . 1 . . 518 . A 213 GLN CG . 34663 1 1071 . 1 . 1 98 98 GLN N N 15 122.372 0.017 . 1 . . 918 . A 213 GLN N . 34663 1 1072 . 1 . 1 98 98 GLN NE2 N 15 112.426 0.02 . 1 . . 910 . A 213 GLN NE2 . 34663 1 1073 . 1 . 1 99 99 SER H H 1 8.344 0.001 . 1 . . 227 . A 214 SER H . 34663 1 1074 . 1 . 1 99 99 SER C C 13 173.171 . . 1 . . 235 . A 214 SER C . 34663 1 1075 . 1 . 1 99 99 SER CA C 13 56.498 . . 1 . . 233 . A 214 SER CA . 34663 1 1076 . 1 . 1 99 99 SER CB C 13 63.492 . . 1 . . 234 . A 214 SER CB . 34663 1 1077 . 1 . 1 99 99 SER N N 15 118.393 0.014 . 1 . . 228 . A 214 SER N . 34663 1 1078 . 1 . 1 100 100 PRO HA H 1 4.419 0.001 . 1 . . 480 . A 215 PRO HA . 34663 1 1079 . 1 . 1 100 100 PRO HB2 H 1 2.372 . . 2 . . 522 . A 215 PRO HB2 . 34663 1 1080 . 1 . 1 100 100 PRO HB3 H 1 2.284 0.004 . 2 . . 523 . A 215 PRO HB3 . 34663 1 1081 . 1 . 1 100 100 PRO HG2 H 1 2.042 0.002 . 2 . . 520 . A 215 PRO HG2 . 34663 1 1082 . 1 . 1 100 100 PRO HG3 H 1 1.954 0.0 . 2 . . 521 . A 215 PRO HG3 . 34663 1 1083 . 1 . 1 100 100 PRO HD2 H 1 3.822 0.0 . 2 . . 524 . A 215 PRO HD2 . 34663 1 1084 . 1 . 1 100 100 PRO HD3 H 1 3.691 . . 2 . . 525 . A 215 PRO HD3 . 34663 1 1085 . 1 . 1 100 100 PRO CB C 13 32.114 0.054 . 1 . . 527 . A 215 PRO CB . 34663 1 1086 . 1 . 1 100 100 PRO CG C 13 27.330 0.015 . 1 . . 519 . A 215 PRO CG . 34663 1 1087 . 1 . 1 100 100 PRO CD C 13 50.871 0.062 . 1 . . 526 . A 215 PRO CD . 34663 1 1088 . 1 . 1 101 101 ASP H H 1 8.324 0.002 . 1 . . 282 . A 216 ASP H . 34663 1 1089 . 1 . 1 101 101 ASP HA H 1 4.554 0.005 . 1 . . 481 . A 216 ASP HA . 34663 1 1090 . 1 . 1 101 101 ASP HB2 H 1 2.588 0.0 . 2 . . 980 . A 216 ASP HB2 . 34663 1 1091 . 1 . 1 101 101 ASP HB3 H 1 2.724 0.0 . 2 . . 981 . A 216 ASP HB3 . 34663 1 1092 . 1 . 1 101 101 ASP C C 13 176.622 0.002 . 1 . . 362 . A 216 ASP C . 34663 1 1093 . 1 . 1 101 101 ASP CA C 13 54.687 0.003 . 1 . . 364 . A 216 ASP CA . 34663 1 1094 . 1 . 1 101 101 ASP CB C 13 40.890 0.013 . 1 . . 363 . A 216 ASP CB . 34663 1 1095 . 1 . 1 101 101 ASP N N 15 119.258 0.013 . 1 . . 283 . A 216 ASP N . 34663 1 1096 . 1 . 1 102 102 LEU H H 1 8.057 0.004 . 1 . . 151 . A 217 LEU H . 34663 1 1097 . 1 . 1 102 102 LEU HA H 1 4.300 0.003 . 1 . . 517 . A 217 LEU HA . 34663 1 1098 . 1 . 1 102 102 LEU HB2 H 1 1.685 0.0 . 2 . . 893 . A 217 LEU HB2 . 34663 1 1099 . 1 . 1 102 102 LEU HB3 H 1 1.685 0.0 . 2 . . 894 . A 217 LEU HB3 . 34663 1 1100 . 1 . 1 102 102 LEU HG H 1 1.626 0.006 . 1 . . 895 . A 217 LEU HG . 34663 1 1101 . 1 . 1 102 102 LEU HD11 H 1 0.940 0.002 . 2 . . 896 . A 217 LEU HD11 . 34663 1 1102 . 1 . 1 102 102 LEU HD12 H 1 0.940 0.002 . 2 . . 896 . A 217 LEU HD12 . 34663 1 1103 . 1 . 1 102 102 LEU HD13 H 1 0.940 0.002 . 2 . . 896 . A 217 LEU HD13 . 34663 1 1104 . 1 . 1 102 102 LEU HD21 H 1 0.860 0.006 . 2 . . 897 . A 217 LEU HD21 . 34663 1 1105 . 1 . 1 102 102 LEU HD22 H 1 0.860 0.006 . 2 . . 897 . A 217 LEU HD22 . 34663 1 1106 . 1 . 1 102 102 LEU HD23 H 1 0.860 0.006 . 2 . . 897 . A 217 LEU HD23 . 34663 1 1107 . 1 . 1 102 102 LEU C C 13 177.827 0.003 . 1 . . 403 . A 217 LEU C . 34663 1 1108 . 1 . 1 102 102 LEU CA C 13 55.654 0.049 . 1 . . 361 . A 217 LEU CA . 34663 1 1109 . 1 . 1 102 102 LEU CB C 13 42.147 0.066 . 1 . . 398 . A 217 LEU CB . 34663 1 1110 . 1 . 1 102 102 LEU CG C 13 26.994 0.011 . 1 . . 892 . A 217 LEU CG . 34663 1 1111 . 1 . 1 102 102 LEU CD1 C 13 23.441 . . 2 . . 1030 . A 217 LEU CD1 . 34663 1 1112 . 1 . 1 102 102 LEU CD2 C 13 24.895 . . 2 . . 1031 . A 217 LEU CD2 . 34663 1 1113 . 1 . 1 102 102 LEU N N 15 122.298 0.01 . 1 . . 152 . A 217 LEU N . 34663 1 1114 . 1 . 1 103 103 LEU H H 1 8.126 0.001 . 1 . . 7 . A 218 LEU H . 34663 1 1115 . 1 . 1 103 103 LEU HA H 1 4.362 0.002 . 1 . . 482 . A 218 LEU HA . 34663 1 1116 . 1 . 1 103 103 LEU HB2 H 1 1.636 0.004 . 2 . . 513 . A 218 LEU HB2 . 34663 1 1117 . 1 . 1 103 103 LEU HB3 H 1 1.735 0.005 . 2 . . 514 . A 218 LEU HB3 . 34663 1 1118 . 1 . 1 103 103 LEU HG H 1 1.639 0.002 . 1 . . 510 . A 218 LEU HG . 34663 1 1119 . 1 . 1 103 103 LEU HD11 H 1 0.931 0.006 . 2 . . 511 . A 218 LEU HD11 . 34663 1 1120 . 1 . 1 103 103 LEU HD12 H 1 0.931 0.006 . 2 . . 511 . A 218 LEU HD12 . 34663 1 1121 . 1 . 1 103 103 LEU HD13 H 1 0.931 0.006 . 2 . . 511 . A 218 LEU HD13 . 34663 1 1122 . 1 . 1 103 103 LEU HD21 H 1 0.871 0.001 . 2 . . 512 . A 218 LEU HD21 . 34663 1 1123 . 1 . 1 103 103 LEU HD22 H 1 0.871 0.001 . 2 . . 512 . A 218 LEU HD22 . 34663 1 1124 . 1 . 1 103 103 LEU HD23 H 1 0.871 0.001 . 2 . . 512 . A 218 LEU HD23 . 34663 1 1125 . 1 . 1 103 103 LEU C C 13 177.901 0.0 . 1 . . 402 . A 218 LEU C . 34663 1 1126 . 1 . 1 103 103 LEU CA C 13 55.480 0.04 . 1 . . 400 . A 218 LEU CA . 34663 1 1127 . 1 . 1 103 103 LEU CB C 13 42.015 0.042 . 1 . . 307 . A 218 LEU CB . 34663 1 1128 . 1 . 1 103 103 LEU CG C 13 27.025 0.028 . 1 . . 507 . A 218 LEU CG . 34663 1 1129 . 1 . 1 103 103 LEU CD1 C 13 23.289 . . 2 . . 1032 . A 218 LEU CD1 . 34663 1 1130 . 1 . 1 103 103 LEU CD2 C 13 24.968 . . 2 . . 1033 . A 218 LEU CD2 . 34663 1 1131 . 1 . 1 103 103 LEU N N 15 121.183 0.012 . 1 . . 8 . A 218 LEU N . 34663 1 1132 . 1 . 1 104 104 SER H H 1 8.094 0.002 . 1 . . 47 . A 219 SER H . 34663 1 1133 . 1 . 1 104 104 SER HA H 1 4.350 0.004 . 1 . . 508 . A 219 SER HA . 34663 1 1134 . 1 . 1 104 104 SER HB2 H 1 3.897 0.003 . 1 . . 509 . A 219 SER HB2 . 34663 1 1135 . 1 . 1 104 104 SER HB3 H 1 3.897 0.003 . 1 . . 898 . A 219 SER HB3 . 34663 1 1136 . 1 . 1 104 104 SER C C 13 175.307 0.004 . 1 . . 212 . A 219 SER C . 34663 1 1137 . 1 . 1 104 104 SER CA C 13 59.226 0.002 . 1 . . 210 . A 219 SER CA . 34663 1 1138 . 1 . 1 104 104 SER CB C 13 63.696 0.007 . 1 . . 211 . A 219 SER CB . 34663 1 1139 . 1 . 1 104 104 SER N N 15 115.434 0.024 . 1 . . 48 . A 219 SER N . 34663 1 1140 . 1 . 1 105 105 GLY H H 1 8.318 0.005 . 1 . . 109 . A 220 GLY H . 34663 1 1141 . 1 . 1 105 105 GLY HA2 H 1 3.969 0.003 . 2 . . 505 . A 220 GLY HA2 . 34663 1 1142 . 1 . 1 105 105 GLY HA3 H 1 3.966 0.004 . 2 . . 506 . A 220 GLY HA3 . 34663 1 1143 . 1 . 1 105 105 GLY C C 13 174.208 0.008 . 1 . . 318 . A 220 GLY C . 34663 1 1144 . 1 . 1 105 105 GLY CA C 13 45.445 0.082 . 1 . . 319 . A 220 GLY CA . 34663 1 1145 . 1 . 1 105 105 GLY N N 15 110.321 0.025 . 1 . . 110 . A 220 GLY N . 34663 1 1146 . 1 . 1 106 106 MET H H 1 8.039 0.003 . 1 . . 71 . A 221 MET H . 34663 1 1147 . 1 . 1 106 106 MET HA H 1 4.459 0.002 . 1 . . 483 . A 221 MET HA . 34663 1 1148 . 1 . 1 106 106 MET HB2 H 1 2.090 0.002 . 2 . . 501 . A 221 MET HB2 . 34663 1 1149 . 1 . 1 106 106 MET HB3 H 1 2.024 0.002 . 2 . . 502 . A 221 MET HB3 . 34663 1 1150 . 1 . 1 106 106 MET HG2 H 1 2.600 0.002 . 2 . . 503 . A 221 MET HG2 . 34663 1 1151 . 1 . 1 106 106 MET HG3 H 1 2.534 0.002 . 2 . . 504 . A 221 MET HG3 . 34663 1 1152 . 1 . 1 106 106 MET C C 13 176.077 0.009 . 1 . . 256 . A 221 MET C . 34663 1 1153 . 1 . 1 106 106 MET CA C 13 55.592 0.034 . 1 . . 254 . A 221 MET CA . 34663 1 1154 . 1 . 1 106 106 MET CB C 13 32.975 0.071 . 1 . . 255 . A 221 MET CB . 34663 1 1155 . 1 . 1 106 106 MET CG C 13 32.020 0.025 . 1 . . 500 . A 221 MET CG . 34663 1 1156 . 1 . 1 106 106 MET N N 15 119.579 0.018 . 1 . . 72 . A 221 MET N . 34663 1 1157 . 1 . 1 107 107 LYS H H 1 8.314 0.001 . 1 . . 115 . A 222 LYS H . 34663 1 1158 . 1 . 1 107 107 LYS HA H 1 4.375 0.002 . 1 . . 484 . A 222 LYS HA . 34663 1 1159 . 1 . 1 107 107 LYS HB2 H 1 1.853 0.002 . 2 . . 489 . A 222 LYS HB2 . 34663 1 1160 . 1 . 1 107 107 LYS HB3 H 1 1.762 0.005 . 2 . . 490 . A 222 LYS HB3 . 34663 1 1161 . 1 . 1 107 107 LYS HG2 H 1 1.462 0.006 . 2 . . 494 . A 222 LYS HG2 . 34663 1 1162 . 1 . 1 107 107 LYS HG3 H 1 1.429 0.003 . 2 . . 495 . A 222 LYS HG3 . 34663 1 1163 . 1 . 1 107 107 LYS HD2 H 1 1.686 0.001 . 2 . . 498 . A 222 LYS HD2 . 34663 1 1164 . 1 . 1 107 107 LYS HD3 H 1 1.686 0.001 . 2 . . 499 . A 222 LYS HD3 . 34663 1 1165 . 1 . 1 107 107 LYS HE2 H 1 2.994 0.001 . 2 . . 496 . A 222 LYS HE2 . 34663 1 1166 . 1 . 1 107 107 LYS HE3 H 1 2.994 0.001 . 2 . . 497 . A 222 LYS HE3 . 34663 1 1167 . 1 . 1 107 107 LYS C C 13 176.314 0.008 . 1 . . 326 . A 222 LYS C . 34663 1 1168 . 1 . 1 107 107 LYS CA C 13 56.037 0.062 . 1 . . 327 . A 222 LYS CA . 34663 1 1169 . 1 . 1 107 107 LYS CB C 13 33.103 0.069 . 1 . . 328 . A 222 LYS CB . 34663 1 1170 . 1 . 1 107 107 LYS CG C 13 24.785 0.032 . 1 . . 493 . A 222 LYS CG . 34663 1 1171 . 1 . 1 107 107 LYS CD C 13 28.874 0.018 . 1 . . 492 . A 222 LYS CD . 34663 1 1172 . 1 . 1 107 107 LYS CE C 13 41.910 0.02 . 1 . . 491 . A 222 LYS CE . 34663 1 1173 . 1 . 1 107 107 LYS N N 15 122.469 0.031 . 1 . . 116 . A 222 LYS N . 34663 1 1174 . 1 . 1 108 108 SER H H 1 8.306 0.001 . 1 . . 229 . A 223 SER H . 34663 1 1175 . 1 . 1 108 108 SER HA H 1 4.735 0.001 . 1 . . 1055 . A 223 SER HA . 34663 1 1176 . 1 . 1 108 108 SER HB2 H 1 3.763 . . 2 . . 1054 . A 223 SER HB2 . 34663 1 1177 . 1 . 1 108 108 SER HB3 H 1 3.880 0.001 . 2 . . 1056 . A 223 SER HB3 . 34663 1 1178 . 1 . 1 108 108 SER C C 13 171.882 . . 1 . . 236 . A 223 SER C . 34663 1 1179 . 1 . 1 108 108 SER CA C 13 56.476 0.031 . 1 . . 237 . A 223 SER CA . 34663 1 1180 . 1 . 1 108 108 SER CB C 13 63.156 0.049 . 1 . . 238 . A 223 SER CB . 34663 1 1181 . 1 . 1 108 108 SER N N 15 118.438 0.03 . 1 . . 230 . A 223 SER N . 34663 1 1182 . 1 . 1 109 109 PRO HA H 1 4.421 0.0 . 1 . . 1043 . A 224 PRO HA . 34663 1 1183 . 1 . 1 109 109 PRO HB2 H 1 2.289 0.0 . 2 . . 1046 . A 224 PRO HB2 . 34663 1 1184 . 1 . 1 109 109 PRO HB3 H 1 1.948 0.006 . 2 . . 1048 . A 224 PRO HB3 . 34663 1 1185 . 1 . 1 109 109 PRO HG2 H 1 2.039 0.003 . 1 . . 1049 . A 224 PRO HG2 . 34663 1 1186 . 1 . 1 109 109 PRO HG3 H 1 2.039 0.003 . 1 . . 1050 . A 224 PRO HG3 . 34663 1 1187 . 1 . 1 109 109 PRO HD2 H 1 3.675 0.003 . 2 . . 1047 . A 224 PRO HD2 . 34663 1 1188 . 1 . 1 109 109 PRO HD3 H 1 3.825 0.001 . 2 . . 1051 . A 224 PRO HD3 . 34663 1 1189 . 1 . 1 109 109 PRO CA C 13 63.371 0.0 . 1 . . 1045 . A 224 PRO CA . 34663 1 1190 . 1 . 1 109 109 PRO CB C 13 31.869 0.002 . 1 . . 1044 . A 224 PRO CB . 34663 1 1191 . 1 . 1 109 109 PRO CG C 13 27.331 0.015 . 1 . . 1052 . A 224 PRO CG . 34663 1 1192 . 1 . 1 109 109 PRO CD C 13 51.106 0.0 . 1 . . 1053 . A 224 PRO CD . 34663 1 1193 . 1 . 1 111 111 ARG H H 1 7.937 0.001 . 1 . . 101 . A 226 ARG H . 34663 1 1194 . 1 . 1 111 111 ARG HA H 1 4.419 0.004 . 1 . . 485 . A 226 ARG HA . 34663 1 1195 . 1 . 1 111 111 ARG HB2 H 1 2.288 0.001 . 2 . . 1035 . A 226 ARG HB2 . 34663 1 1196 . 1 . 1 111 111 ARG HB3 H 1 1.964 0.003 . 2 . . 1036 . A 226 ARG HB3 . 34663 1 1197 . 1 . 1 111 111 ARG HG2 H 1 2.038 0.002 . 1 . . 1039 . A 226 ARG HG2 . 34663 1 1198 . 1 . 1 111 111 ARG HG3 H 1 2.038 0.002 . 1 . . 1040 . A 226 ARG HG3 . 34663 1 1199 . 1 . 1 111 111 ARG HD2 H 1 3.669 0.0 . 2 . . 1041 . A 226 ARG HD2 . 34663 1 1200 . 1 . 1 111 111 ARG HD3 H 1 3.825 0.001 . 2 . . 1042 . A 226 ARG HD3 . 34663 1 1201 . 1 . 1 111 111 ARG C C 13 177.716 2.374 . 1 . . 308 . A 226 ARG C . 34663 1 1202 . 1 . 1 111 111 ARG CA C 13 63.009 1.395 . 1 . . 309 . A 226 ARG CA . 34663 1 1203 . 1 . 1 111 111 ARG CB C 13 31.880 0.091 . 1 . . 401 . A 226 ARG CB . 34663 1 1204 . 1 . 1 111 111 ARG CG C 13 27.309 0.009 . 1 . . 1038 . A 226 ARG CG . 34663 1 1205 . 1 . 1 111 111 ARG CD C 13 50.533 0.02 . 1 . . 1037 . A 226 ARG CD . 34663 1 1206 . 1 . 1 111 111 ARG N N 15 126.155 0.02 . 1 . . 102 . A 226 ARG N . 34663 1 stop_ save_