data_12032 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 12032 _Entry.Title ; Solution NMR structure of the W187R mutant of 1918 NS1 effector domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-01-31 _Entry.Accession_date 2019-02-03 _Entry.Last_release_date 2019-02-03 _Entry.Original_release_date 2019-02-03 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.1.32 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.2.0.16 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_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 Qingliang Shen . . . . 12032 2 Jae-Hyun Cho . . . . 12032 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 12032 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 482 12032 '15N chemical shifts' 120 12032 '1H chemical shifts' 750 12032 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 . . 2019-09-10 . original BMRB . 12032 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 12032 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1016/j.bbrc.2019.08.027 _Citation.PubMed_ID 31420169 _Citation.Full_citation . _Citation.Title ; The structure and conformational plasticity of the nonstructural protein 1 of the 1918 influenza A virus. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biochem. Biophys. Res. Commun.' _Citation.Journal_name_full 'Biochemical and biophysical research communications' _Citation.Journal_volume 518 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0006-291X _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 178 _Citation.Page_last 182 _Citation.Year 2019 _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 Qingliang Shen . . . . 12032 1 2 Jae-Hyun Cho . . . . 12032 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 12032 _Assembly.ID 1 _Assembly.Name 'NS1 effector domain' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 'NS1 effector domain' 1 $NS1_effector_domain A . yes native no no . . . 12032 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_NS1_effector_domain _Entity.Sf_category entity _Entity.Sf_framecode NS1_effector_domain _Entity.Entry_ID 12032 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name NS1_effector_domain _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; SRYLTDMTLEEMSRDWFMLM PKQKVAGSLCIRMDQAIMDK NIILKANFSVIFDRLETLIL LRAFTEEGAIVGEISPLPSL PGHTDEDVKNAVGVLIGGLE RNDNTVRVSETLQRFAWRS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 119 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 87 SER . 12032 1 2 88 ARG . 12032 1 3 89 TYR . 12032 1 4 90 LEU . 12032 1 5 91 THR . 12032 1 6 92 ASP . 12032 1 7 93 MET . 12032 1 8 94 THR . 12032 1 9 95 LEU . 12032 1 10 96 GLU . 12032 1 11 97 GLU . 12032 1 12 98 MET . 12032 1 13 99 SER . 12032 1 14 100 ARG . 12032 1 15 101 ASP . 12032 1 16 102 TRP . 12032 1 17 103 PHE . 12032 1 18 104 MET . 12032 1 19 105 LEU . 12032 1 20 106 MET . 12032 1 21 107 PRO . 12032 1 22 108 LYS . 12032 1 23 109 GLN . 12032 1 24 110 LYS . 12032 1 25 111 VAL . 12032 1 26 112 ALA . 12032 1 27 113 GLY . 12032 1 28 114 SER . 12032 1 29 115 LEU . 12032 1 30 116 CYS . 12032 1 31 117 ILE . 12032 1 32 118 ARG . 12032 1 33 119 MET . 12032 1 34 120 ASP . 12032 1 35 121 GLN . 12032 1 36 122 ALA . 12032 1 37 123 ILE . 12032 1 38 124 MET . 12032 1 39 125 ASP . 12032 1 40 126 LYS . 12032 1 41 127 ASN . 12032 1 42 128 ILE . 12032 1 43 129 ILE . 12032 1 44 130 LEU . 12032 1 45 131 LYS . 12032 1 46 132 ALA . 12032 1 47 133 ASN . 12032 1 48 134 PHE . 12032 1 49 135 SER . 12032 1 50 136 VAL . 12032 1 51 137 ILE . 12032 1 52 138 PHE . 12032 1 53 139 ASP . 12032 1 54 140 ARG . 12032 1 55 141 LEU . 12032 1 56 142 GLU . 12032 1 57 143 THR . 12032 1 58 144 LEU . 12032 1 59 145 ILE . 12032 1 60 146 LEU . 12032 1 61 147 LEU . 12032 1 62 148 ARG . 12032 1 63 149 ALA . 12032 1 64 150 PHE . 12032 1 65 151 THR . 12032 1 66 152 GLU . 12032 1 67 153 GLU . 12032 1 68 154 GLY . 12032 1 69 155 ALA . 12032 1 70 156 ILE . 12032 1 71 157 VAL . 12032 1 72 158 GLY . 12032 1 73 159 GLU . 12032 1 74 160 ILE . 12032 1 75 161 SER . 12032 1 76 162 PRO . 12032 1 77 163 LEU . 12032 1 78 164 PRO . 12032 1 79 165 SER . 12032 1 80 166 LEU . 12032 1 81 167 PRO . 12032 1 82 168 GLY . 12032 1 83 169 HIS . 12032 1 84 170 THR . 12032 1 85 171 ASP . 12032 1 86 172 GLU . 12032 1 87 173 ASP . 12032 1 88 174 VAL . 12032 1 89 175 LYS . 12032 1 90 176 ASN . 12032 1 91 177 ALA . 12032 1 92 178 VAL . 12032 1 93 179 GLY . 12032 1 94 180 VAL . 12032 1 95 181 LEU . 12032 1 96 182 ILE . 12032 1 97 183 GLY . 12032 1 98 184 GLY . 12032 1 99 185 LEU . 12032 1 100 186 GLU . 12032 1 101 187 ARG . 12032 1 102 188 ASN . 12032 1 103 189 ASP . 12032 1 104 190 ASN . 12032 1 105 191 THR . 12032 1 106 192 VAL . 12032 1 107 193 ARG . 12032 1 108 194 VAL . 12032 1 109 195 SER . 12032 1 110 196 GLU . 12032 1 111 197 THR . 12032 1 112 198 LEU . 12032 1 113 199 GLN . 12032 1 114 200 ARG . 12032 1 115 201 PHE . 12032 1 116 202 ALA . 12032 1 117 203 TRP . 12032 1 118 204 ARG . 12032 1 119 205 SER . 12032 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 . SER 1 1 12032 1 . ARG 2 2 12032 1 . TYR 3 3 12032 1 . LEU 4 4 12032 1 . THR 5 5 12032 1 . ASP 6 6 12032 1 . MET 7 7 12032 1 . THR 8 8 12032 1 . LEU 9 9 12032 1 . GLU 10 10 12032 1 . GLU 11 11 12032 1 . MET 12 12 12032 1 . SER 13 13 12032 1 . ARG 14 14 12032 1 . ASP 15 15 12032 1 . TRP 16 16 12032 1 . PHE 17 17 12032 1 . MET 18 18 12032 1 . LEU 19 19 12032 1 . MET 20 20 12032 1 . PRO 21 21 12032 1 . LYS 22 22 12032 1 . GLN 23 23 12032 1 . LYS 24 24 12032 1 . VAL 25 25 12032 1 . ALA 26 26 12032 1 . GLY 27 27 12032 1 . SER 28 28 12032 1 . LEU 29 29 12032 1 . CYS 30 30 12032 1 . ILE 31 31 12032 1 . ARG 32 32 12032 1 . MET 33 33 12032 1 . ASP 34 34 12032 1 . GLN 35 35 12032 1 . ALA 36 36 12032 1 . ILE 37 37 12032 1 . MET 38 38 12032 1 . ASP 39 39 12032 1 . LYS 40 40 12032 1 . ASN 41 41 12032 1 . ILE 42 42 12032 1 . ILE 43 43 12032 1 . LEU 44 44 12032 1 . LYS 45 45 12032 1 . ALA 46 46 12032 1 . ASN 47 47 12032 1 . PHE 48 48 12032 1 . SER 49 49 12032 1 . VAL 50 50 12032 1 . ILE 51 51 12032 1 . PHE 52 52 12032 1 . ASP 53 53 12032 1 . ARG 54 54 12032 1 . LEU 55 55 12032 1 . GLU 56 56 12032 1 . THR 57 57 12032 1 . LEU 58 58 12032 1 . ILE 59 59 12032 1 . LEU 60 60 12032 1 . LEU 61 61 12032 1 . ARG 62 62 12032 1 . ALA 63 63 12032 1 . PHE 64 64 12032 1 . THR 65 65 12032 1 . GLU 66 66 12032 1 . GLU 67 67 12032 1 . GLY 68 68 12032 1 . ALA 69 69 12032 1 . ILE 70 70 12032 1 . VAL 71 71 12032 1 . GLY 72 72 12032 1 . GLU 73 73 12032 1 . ILE 74 74 12032 1 . SER 75 75 12032 1 . PRO 76 76 12032 1 . LEU 77 77 12032 1 . PRO 78 78 12032 1 . SER 79 79 12032 1 . LEU 80 80 12032 1 . PRO 81 81 12032 1 . GLY 82 82 12032 1 . HIS 83 83 12032 1 . THR 84 84 12032 1 . ASP 85 85 12032 1 . GLU 86 86 12032 1 . ASP 87 87 12032 1 . VAL 88 88 12032 1 . LYS 89 89 12032 1 . ASN 90 90 12032 1 . ALA 91 91 12032 1 . VAL 92 92 12032 1 . GLY 93 93 12032 1 . VAL 94 94 12032 1 . LEU 95 95 12032 1 . ILE 96 96 12032 1 . GLY 97 97 12032 1 . GLY 98 98 12032 1 . LEU 99 99 12032 1 . GLU 100 100 12032 1 . ARG 101 101 12032 1 . ASN 102 102 12032 1 . ASP 103 103 12032 1 . ASN 104 104 12032 1 . THR 105 105 12032 1 . VAL 106 106 12032 1 . ARG 107 107 12032 1 . VAL 108 108 12032 1 . SER 109 109 12032 1 . GLU 110 110 12032 1 . THR 111 111 12032 1 . LEU 112 112 12032 1 . GLN 113 113 12032 1 . ARG 114 114 12032 1 . PHE 115 115 12032 1 . ALA 116 116 12032 1 . TRP 117 117 12032 1 . ARG 118 118 12032 1 . SER 119 119 12032 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 12032 _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 $NS1_effector_domain . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . 12032 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 12032 _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 $NS1_effector_domain . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . pET-SUMO . . . 12032 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 12032 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'NS1 effector domain' '[U-98% 13C; U-98% 15N]' 1 $assembly 1 $NS1_effector_domain . protein . 0.1 0.2 mM . . . . 12032 1 2 'sodium phosphate' 'natural abundance' . . . . . buffer 20 . . mM . . . . 12032 1 3 'sodium chloride' 'natural abundance' . . . . . salt 80 . . mM . . . . 12032 1 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 12032 1 5 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 12032 1 6 D2O [U-2H] . . . . . solvent 10 . . % . . . . 12032 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 12032 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 'NS1 effector domain' '[U-98% 13C; U-98% 15N]' 1 $assembly 1 $NS1_effector_domain . protein . 0.1 0.15 mM . . . . 12032 2 2 'sodium phosphate' 'natural abundance' . . . . . buffer 20 . . mM . . . . 12032 2 3 'sodium chloride' 'natural abundance' . . . . . salt 80 . . mM . . . . 12032 2 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 12032 2 5 D2O [U-2H] . . . . . solvent 100 . . % . . . . 12032 2 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 12032 _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' 80 . mM 12032 1 pH 7 . pH 12032 1 pressure 1 . atm 12032 1 temperature 298 . K 12032 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 12032 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 12032 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 12032 1 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 12032 _Software.ID 2 _Software.Type . _Software.Name NMRDraw _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 12032 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 12032 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 12032 _Software.ID 3 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 12032 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'structure solution' 12032 3 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 12032 _Software.ID 4 _Software.Type . _Software.Name TALOS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 12032 4 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'structure solution' 12032 4 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 12032 _Software.ID 5 _Software.Type . _Software.Name X-PLOR_NIH _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 12032 5 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . refinement 12032 5 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 12032 _Software.ID 6 _Software.Type . _Software.Name SPARKY _Software.Version 'NMRFAM-Sparky 1.3' _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 12032 6 'National Magnetic Resonance Facility at Madison' . . 12032 6 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 12032 6 . 'data analysis' 12032 6 . 'peak picking' 12032 6 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 12032 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 12032 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 12032 _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 . 600 . . . 12032 1 2 NMR_spectrometer_2 Bruker Avance . 800 . . . 12032 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 12032 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 12032 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 12032 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 12032 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 12032 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 12032 1 6 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 12032 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 12032 1 8 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 12032 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 12032 1 10 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 12032 1 11 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 12032 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 12032 _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 0.00 na indirect 0.251449530 . . . . . 12032 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 12032 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 12032 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 12032 _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 $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' 1 $sample_1 isotropic 12032 1 2 '3D CBCA(CO)NH' 1 $sample_1 isotropic 12032 1 3 '3D HNCACB' 1 $sample_1 isotropic 12032 1 4 '3D HNCO' 1 $sample_1 isotropic 12032 1 5 '3D HN(CO)CA' 1 $sample_1 isotropic 12032 1 6 '3D H(CCO)NH' 1 $sample_1 isotropic 12032 1 7 '3D HCCH-TOCSY' 1 $sample_1 isotropic 12032 1 8 '3D 1H-15N TOCSY' 1 $sample_1 isotropic 12032 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 SER H H 1 8.254 0.00 . . . . . . . 87 SER H . 12032 1 2 . 1 1 1 1 SER HA H 1 4.603 0.01 . . . . . . . 87 SER HA . 12032 1 3 . 1 1 1 1 SER HB2 H 1 3.669 0.00 . . . . . . . 87 SER HB* . 12032 1 4 . 1 1 1 1 SER HB3 H 1 3.669 0.00 . . . . . . . 87 SER HB* . 12032 1 5 . 1 1 1 1 SER C C 13 173.608 0.00 . . . . . . . 87 SER C . 12032 1 6 . 1 1 1 1 SER CA C 13 58.413 0.07 . . . . . . . 87 SER CA . 12032 1 7 . 1 1 1 1 SER CB C 13 63.875 0.06 . . . . . . . 87 SER CB . 12032 1 8 . 1 1 1 1 SER N N 15 116.621 0.00 . . . . . . . 87 SER N . 12032 1 9 . 1 1 2 2 ARG H H 1 8.474 0.02 . . . . . . . 88 ARG H . 12032 1 10 . 1 1 2 2 ARG HA H 1 4.498 0.02 . . . . . . . 88 ARG HA . 12032 1 11 . 1 1 2 2 ARG HB2 H 1 1.645 0.01 . . . . . . . 88 ARG HB2 . 12032 1 12 . 1 1 2 2 ARG HB3 H 1 1.658 0.01 . . . . . . . 88 ARG HB3 . 12032 1 13 . 1 1 2 2 ARG HD2 H 1 3.122 0.02 . . . . . . . 88 ARG HD2 . 12032 1 14 . 1 1 2 2 ARG HD3 H 1 3.106 0.02 . . . . . . . 88 ARG HD3 . 12032 1 15 . 1 1 2 2 ARG HE H 1 7.414 0.00 . . . . . . . 88 ARG HE . 12032 1 16 . 1 1 2 2 ARG HG2 H 1 1.460 0.02 . . . . . . . 88 ARG HG2 . 12032 1 17 . 1 1 2 2 ARG HG3 H 1 1.452 0.02 . . . . . . . 88 ARG HG3 . 12032 1 18 . 1 1 2 2 ARG C C 13 174.089 0.00 . . . . . . . 88 ARG C . 12032 1 19 . 1 1 2 2 ARG CA C 13 55.193 0.16 . . . . . . . 88 ARG CA . 12032 1 20 . 1 1 2 2 ARG CB C 13 32.438 0.08 . . . . . . . 88 ARG CB . 12032 1 21 . 1 1 2 2 ARG CD C 13 43.470 0.13 . . . . . . . 88 ARG CD . 12032 1 22 . 1 1 2 2 ARG CG C 13 27.057 0.06 . . . . . . . 88 ARG CG . 12032 1 23 . 1 1 2 2 ARG N N 15 122.298 0.12 . . . . . . . 88 ARG N . 12032 1 24 . 1 1 2 2 ARG NE N 15 115.550 0.00 . . . . . . . 88 ARG NE . 12032 1 25 . 1 1 3 3 TYR H H 1 8.497 0.01 . . . . . . . 89 TYR H . 12032 1 26 . 1 1 3 3 TYR HA H 1 4.797 0.02 . . . . . . . 89 TYR HA . 12032 1 27 . 1 1 3 3 TYR HB2 H 1 2.759 0.02 . . . . . . . 89 TYR HB* . 12032 1 28 . 1 1 3 3 TYR HB3 H 1 2.759 0.02 . . . . . . . 89 TYR HB* . 12032 1 29 . 1 1 3 3 TYR HD1 H 1 6.917 0.01 . . . . . . . 89 TYR HD* . 12032 1 30 . 1 1 3 3 TYR HD2 H 1 6.917 0.01 . . . . . . . 89 TYR HD* . 12032 1 31 . 1 1 3 3 TYR HE1 H 1 6.708 0.01 . . . . . . . 89 TYR HE* . 12032 1 32 . 1 1 3 3 TYR HE2 H 1 6.708 0.01 . . . . . . . 89 TYR HE* . 12032 1 33 . 1 1 3 3 TYR C C 13 174.583 0.00 . . . . . . . 89 TYR C . 12032 1 34 . 1 1 3 3 TYR CA C 13 57.549 0.00 . . . . . . . 89 TYR CA . 12032 1 35 . 1 1 3 3 TYR CB C 13 39.512 0.02 . . . . . . . 89 TYR CB . 12032 1 36 . 1 1 3 3 TYR CD1 C 13 132.600 0.03 . . . . . . . 89 TYR CD* . 12032 1 37 . 1 1 3 3 TYR CD2 C 13 132.600 0.03 . . . . . . . 89 TYR CD* . 12032 1 38 . 1 1 3 3 TYR CE1 C 13 118.277 0.03 . . . . . . . 89 TYR CE* . 12032 1 39 . 1 1 3 3 TYR CE2 C 13 118.277 0.03 . . . . . . . 89 TYR CE* . 12032 1 40 . 1 1 3 3 TYR N N 15 121.022 0.08 . . . . . . . 89 TYR N . 12032 1 41 . 1 1 4 4 LEU H H 1 8.837 0.01 . . . . . . . 90 LEU H . 12032 1 42 . 1 1 4 4 LEU HA H 1 4.442 0.01 . . . . . . . 90 LEU HA . 12032 1 43 . 1 1 4 4 LEU HB2 H 1 1.222 0.01 . . . . . . . 90 LEU HB2 . 12032 1 44 . 1 1 4 4 LEU HB3 H 1 1.229 0.00 . . . . . . . 90 LEU HB3 . 12032 1 45 . 1 1 4 4 LEU HD11 H 1 0.925 0.01 . . . . . . . 90 LEU HD1* . 12032 1 46 . 1 1 4 4 LEU HD12 H 1 0.925 0.01 . . . . . . . 90 LEU HD1* . 12032 1 47 . 1 1 4 4 LEU HD13 H 1 0.925 0.01 . . . . . . . 90 LEU HD1* . 12032 1 48 . 1 1 4 4 LEU HD21 H 1 0.582 0.01 . . . . . . . 90 LEU HD2* . 12032 1 49 . 1 1 4 4 LEU HD22 H 1 0.582 0.01 . . . . . . . 90 LEU HD2* . 12032 1 50 . 1 1 4 4 LEU HD23 H 1 0.582 0.01 . . . . . . . 90 LEU HD2* . 12032 1 51 . 1 1 4 4 LEU HG H 1 1.227 0.01 . . . . . . . 90 LEU HG . 12032 1 52 . 1 1 4 4 LEU C C 13 175.480 0.00 . . . . . . . 90 LEU C . 12032 1 53 . 1 1 4 4 LEU CA C 13 53.570 0.13 . . . . . . . 90 LEU CA . 12032 1 54 . 1 1 4 4 LEU CB C 13 41.846 0.00 . . . . . . . 90 LEU CB . 12032 1 55 . 1 1 4 4 LEU CD1 C 13 25.448 0.26 . . . . . . . 90 LEU CD1 . 12032 1 56 . 1 1 4 4 LEU CD2 C 13 24.057 0.10 . . . . . . . 90 LEU CD2 . 12032 1 57 . 1 1 4 4 LEU CG C 13 27.574 0.05 . . . . . . . 90 LEU CG . 12032 1 58 . 1 1 4 4 LEU N N 15 128.230 0.08 . . . . . . . 90 LEU N . 12032 1 59 . 1 1 5 5 THR H H 1 8.429 0.01 . . . . . . . 91 THR H . 12032 1 60 . 1 1 5 5 THR HA H 1 4.719 0.02 . . . . . . . 91 THR HA . 12032 1 61 . 1 1 5 5 THR HB H 1 4.115 0.01 . . . . . . . 91 THR HB . 12032 1 62 . 1 1 5 5 THR HG21 H 1 0.876 0.02 . . . . . . . 91 THR HG2* . 12032 1 63 . 1 1 5 5 THR HG22 H 1 0.876 0.02 . . . . . . . 91 THR HG2* . 12032 1 64 . 1 1 5 5 THR HG23 H 1 0.876 0.02 . . . . . . . 91 THR HG2* . 12032 1 65 . 1 1 5 5 THR CA C 13 57.311 0.10 . . . . . . . 91 THR CA . 12032 1 66 . 1 1 5 5 THR CB C 13 70.657 0.07 . . . . . . . 91 THR CB . 12032 1 67 . 1 1 5 5 THR CG2 C 13 20.905 0.06 . . . . . . . 91 THR CG2 . 12032 1 68 . 1 1 5 5 THR N N 15 112.233 0.10 . . . . . . . 91 THR N . 12032 1 69 . 1 1 6 6 ASP H H 1 8.482 0.01 . . . . . . . 92 ASP H . 12032 1 70 . 1 1 6 6 ASP HA H 1 4.669 0.01 . . . . . . . 92 ASP HA . 12032 1 71 . 1 1 6 6 ASP HB2 H 1 2.741 0.01 . . . . . . . 92 ASP HB2 . 12032 1 72 . 1 1 6 6 ASP HB3 H 1 2.744 0.00 . . . . . . . 92 ASP HB3 . 12032 1 73 . 1 1 6 6 ASP C C 13 177.833 0.00 . . . . . . . 92 ASP C . 12032 1 74 . 1 1 6 6 ASP CA C 13 55.687 0.11 . . . . . . . 92 ASP CA . 12032 1 75 . 1 1 6 6 ASP CB C 13 43.190 0.09 . . . . . . . 92 ASP CB . 12032 1 76 . 1 1 6 6 ASP N N 15 124.517 0.09 . . . . . . . 92 ASP N . 12032 1 77 . 1 1 7 7 MET H H 1 8.832 0.01 . . . . . . . 93 MET H . 12032 1 78 . 1 1 7 7 MET HA H 1 4.789 0.01 . . . . . . . 93 MET HA . 12032 1 79 . 1 1 7 7 MET HB2 H 1 2.130 0.01 . . . . . . . 93 MET HB2 . 12032 1 80 . 1 1 7 7 MET HB3 H 1 2.090 0.02 . . . . . . . 93 MET HB3 . 12032 1 81 . 1 1 7 7 MET HE1 H 1 1.973 0.01 . . . . . . . 93 MET HE . 12032 1 82 . 1 1 7 7 MET HE2 H 1 1.973 0.01 . . . . . . . 93 MET HE . 12032 1 83 . 1 1 7 7 MET HE3 H 1 1.973 0.01 . . . . . . . 93 MET HE . 12032 1 84 . 1 1 7 7 MET HG2 H 1 2.376 0.01 . . . . . . . 93 MET HG2 . 12032 1 85 . 1 1 7 7 MET HG3 H 1 2.365 0.00 . . . . . . . 93 MET HG3 . 12032 1 86 . 1 1 7 7 MET C C 13 177.312 0.00 . . . . . . . 93 MET C . 12032 1 87 . 1 1 7 7 MET CA C 13 55.033 0.00 . . . . . . . 93 MET CA . 12032 1 88 . 1 1 7 7 MET CB C 13 37.279 0.07 . . . . . . . 93 MET CB . 12032 1 89 . 1 1 7 7 MET CE C 13 18.095 0.02 . . . . . . . 93 MET CE . 12032 1 90 . 1 1 7 7 MET CG C 13 34.577 0.14 . . . . . . . 93 MET CG . 12032 1 91 . 1 1 7 7 MET N N 15 116.639 0.11 . . . . . . . 93 MET N . 12032 1 92 . 1 1 8 8 THR H H 1 8.902 0.01 . . . . . . . 94 THR H . 12032 1 93 . 1 1 8 8 THR HA H 1 4.321 0.01 . . . . . . . 94 THR HA . 12032 1 94 . 1 1 8 8 THR HB H 1 4.746 0.02 . . . . . . . 94 THR HB . 12032 1 95 . 1 1 8 8 THR HG21 H 1 1.277 0.01 . . . . . . . 94 THR HG2* . 12032 1 96 . 1 1 8 8 THR HG22 H 1 1.277 0.01 . . . . . . . 94 THR HG2* . 12032 1 97 . 1 1 8 8 THR HG23 H 1 1.277 0.01 . . . . . . . 94 THR HG2* . 12032 1 98 . 1 1 8 8 THR C C 13 175.269 0.00 . . . . . . . 94 THR C . 12032 1 99 . 1 1 8 8 THR CA C 13 60.423 0.07 . . . . . . . 94 THR CA . 12032 1 100 . 1 1 8 8 THR CB C 13 71.185 0.00 . . . . . . . 94 THR CB . 12032 1 101 . 1 1 8 8 THR CG2 C 13 21.909 0.12 . . . . . . . 94 THR CG2 . 12032 1 102 . 1 1 8 8 THR N N 15 113.205 0.08 . . . . . . . 94 THR N . 12032 1 103 . 1 1 9 9 LEU H H 1 8.636 0.01 . . . . . . . 95 LEU H . 12032 1 104 . 1 1 9 9 LEU HA H 1 4.481 0.02 . . . . . . . 95 LEU HA . 12032 1 105 . 1 1 9 9 LEU HB2 H 1 1.653 0.01 . . . . . . . 95 LEU HB2 . 12032 1 106 . 1 1 9 9 LEU HB3 H 1 1.684 0.02 . . . . . . . 95 LEU HB3 . 12032 1 107 . 1 1 9 9 LEU HD11 H 1 0.916 0.02 . . . . . . . 95 LEU HD1* . 12032 1 108 . 1 1 9 9 LEU HD12 H 1 0.916 0.02 . . . . . . . 95 LEU HD1* . 12032 1 109 . 1 1 9 9 LEU HD13 H 1 0.916 0.02 . . . . . . . 95 LEU HD1* . 12032 1 110 . 1 1 9 9 LEU HD21 H 1 0.911 0.00 . . . . . . . 95 LEU HD2* . 12032 1 111 . 1 1 9 9 LEU HD22 H 1 0.911 0.00 . . . . . . . 95 LEU HD2* . 12032 1 112 . 1 1 9 9 LEU HD23 H 1 0.911 0.00 . . . . . . . 95 LEU HD2* . 12032 1 113 . 1 1 9 9 LEU C C 13 180.354 0.00 . . . . . . . 95 LEU C . 12032 1 114 . 1 1 9 9 LEU CA C 13 58.416 0.15 . . . . . . . 95 LEU CA . 12032 1 115 . 1 1 9 9 LEU CB C 13 41.180 0.14 . . . . . . . 95 LEU CB . 12032 1 116 . 1 1 9 9 LEU CD1 C 13 24.016 0.15 . . . . . . . 95 LEU CD1 . 12032 1 117 . 1 1 9 9 LEU CD2 C 13 24.237 0.00 . . . . . . . 95 LEU CD2 . 12032 1 118 . 1 1 9 9 LEU N N 15 121.042 0.09 . . . . . . . 95 LEU N . 12032 1 119 . 1 1 10 10 GLU H H 1 8.458 0.01 . . . . . . . 96 GLU H . 12032 1 120 . 1 1 10 10 GLU HA H 1 3.951 0.00 . . . . . . . 96 GLU HA . 12032 1 121 . 1 1 10 10 GLU HB2 H 1 2.024 0.01 . . . . . . . 96 GLU HB2 . 12032 1 122 . 1 1 10 10 GLU HB3 H 1 2.029 0.01 . . . . . . . 96 GLU HB3 . 12032 1 123 . 1 1 10 10 GLU HG2 H 1 2.303 0.01 . . . . . . . 96 GLU HG2 . 12032 1 124 . 1 1 10 10 GLU HG3 H 1 2.287 0.01 . . . . . . . 96 GLU HG3 . 12032 1 125 . 1 1 10 10 GLU C C 13 178.724 0.00 . . . . . . . 96 GLU C . 12032 1 126 . 1 1 10 10 GLU CA C 13 60.227 0.05 . . . . . . . 96 GLU CA . 12032 1 127 . 1 1 10 10 GLU CB C 13 28.833 0.00 . . . . . . . 96 GLU CB . 12032 1 128 . 1 1 10 10 GLU CD C 13 189.205 0.00 . . . . . . . 96 GLU CD . 12032 1 129 . 1 1 10 10 GLU CG C 13 36.115 0.12 . . . . . . . 96 GLU CG . 12032 1 130 . 1 1 10 10 GLU N N 15 120.477 0.14 . . . . . . . 96 GLU N . 12032 1 131 . 1 1 11 11 GLU H H 1 7.681 0.01 . . . . . . . 97 GLU H . 12032 1 132 . 1 1 11 11 GLU HA H 1 3.734 0.01 . . . . . . . 97 GLU HA . 12032 1 133 . 1 1 11 11 GLU HB2 H 1 2.033 0.01 . . . . . . . 97 GLU HB2 . 12032 1 134 . 1 1 11 11 GLU HB3 H 1 2.091 0.01 . . . . . . . 97 GLU HB3 . 12032 1 135 . 1 1 11 11 GLU HG2 H 1 2.371 0.01 . . . . . . . 97 GLU HG2 . 12032 1 136 . 1 1 11 11 GLU HG3 H 1 2.378 0.00 . . . . . . . 97 GLU HG3 . 12032 1 137 . 1 1 11 11 GLU C C 13 178.151 0.00 . . . . . . . 97 GLU C . 12032 1 138 . 1 1 11 11 GLU CA C 13 59.988 0.20 . . . . . . . 97 GLU CA . 12032 1 139 . 1 1 11 11 GLU CB C 13 30.967 0.00 . . . . . . . 97 GLU CB . 12032 1 140 . 1 1 11 11 GLU CD C 13 183.071 0.00 . . . . . . . 97 GLU CD . 12032 1 141 . 1 1 11 11 GLU CG C 13 38.328 0.12 . . . . . . . 97 GLU CG . 12032 1 142 . 1 1 11 11 GLU N N 15 119.426 0.10 . . . . . . . 97 GLU N . 12032 1 143 . 1 1 12 12 MET H H 1 7.877 0.01 . . . . . . . 98 MET H . 12032 1 144 . 1 1 12 12 MET HA H 1 4.044 0.01 . . . . . . . 98 MET HA . 12032 1 145 . 1 1 12 12 MET HB2 H 1 2.030 0.01 . . . . . . . 98 MET HB2 . 12032 1 146 . 1 1 12 12 MET HB3 H 1 2.233 0.01 . . . . . . . 98 MET HB3 . 12032 1 147 . 1 1 12 12 MET HG2 H 1 2.688 0.01 . . . . . . . 98 MET HG2 . 12032 1 148 . 1 1 12 12 MET HG3 H 1 2.457 0.02 . . . . . . . 98 MET HG3 . 12032 1 149 . 1 1 12 12 MET C C 13 175.861 0.00 . . . . . . . 98 MET C . 12032 1 150 . 1 1 12 12 MET CA C 13 58.316 0.04 . . . . . . . 98 MET CA . 12032 1 151 . 1 1 12 12 MET CB C 13 34.247 0.04 . . . . . . . 98 MET CB . 12032 1 152 . 1 1 12 12 MET CG C 13 32.424 0.05 . . . . . . . 98 MET CG . 12032 1 153 . 1 1 12 12 MET N N 15 113.874 0.09 . . . . . . . 98 MET N . 12032 1 154 . 1 1 13 13 SER H H 1 7.584 0.01 . . . . . . . 99 SER H . 12032 1 155 . 1 1 13 13 SER HA H 1 4.476 0.01 . . . . . . . 99 SER HA . 12032 1 156 . 1 1 13 13 SER HB2 H 1 3.954 0.02 . . . . . . . 99 SER HB2 . 12032 1 157 . 1 1 13 13 SER HB3 H 1 3.889 0.01 . . . . . . . 99 SER HB3 . 12032 1 158 . 1 1 13 13 SER C C 13 175.200 0.00 . . . . . . . 99 SER C . 12032 1 159 . 1 1 13 13 SER CA C 13 58.524 0.07 . . . . . . . 99 SER CA . 12032 1 160 . 1 1 13 13 SER CB C 13 64.824 0.11 . . . . . . . 99 SER CB . 12032 1 161 . 1 1 13 13 SER N N 15 110.312 0.07 . . . . . . . 99 SER N . 12032 1 162 . 1 1 14 14 ARG H H 1 7.402 0.01 . . . . . . . 100 ARG H . 12032 1 163 . 1 1 14 14 ARG HA H 1 4.111 0.01 . . . . . . . 100 ARG HA . 12032 1 164 . 1 1 14 14 ARG HB2 H 1 2.194 0.02 . . . . . . . 100 ARG HB2 . 12032 1 165 . 1 1 14 14 ARG HB3 H 1 2.152 0.01 . . . . . . . 100 ARG HB3 . 12032 1 166 . 1 1 14 14 ARG HD2 H 1 3.440 0.01 . . . . . . . 100 ARG HD2 . 12032 1 167 . 1 1 14 14 ARG HD3 H 1 3.226 0.01 . . . . . . . 100 ARG HD3 . 12032 1 168 . 1 1 14 14 ARG HG2 H 1 1.852 0.02 . . . . . . . 100 ARG HG2 . 12032 1 169 . 1 1 14 14 ARG HG3 H 1 1.856 0.01 . . . . . . . 100 ARG HG3 . 12032 1 170 . 1 1 14 14 ARG C C 13 176.247 0.00 . . . . . . . 100 ARG C . 12032 1 171 . 1 1 14 14 ARG CA C 13 57.523 0.18 . . . . . . . 100 ARG CA . 12032 1 172 . 1 1 14 14 ARG CB C 13 31.382 0.04 . . . . . . . 100 ARG CB . 12032 1 173 . 1 1 14 14 ARG CD C 13 44.246 0.08 . . . . . . . 100 ARG CD . 12032 1 174 . 1 1 14 14 ARG CG C 13 25.859 0.10 . . . . . . . 100 ARG CG . 12032 1 175 . 1 1 14 14 ARG N N 15 124.808 0.07 . . . . . . . 100 ARG N . 12032 1 176 . 1 1 15 15 ASP H H 1 8.650 0.00 . . . . . . . 101 ASP H . 12032 1 177 . 1 1 15 15 ASP HA H 1 4.894 0.01 . . . . . . . 101 ASP HA . 12032 1 178 . 1 1 15 15 ASP HB2 H 1 2.629 0.00 . . . . . . . 101 ASP HB* . 12032 1 179 . 1 1 15 15 ASP HB3 H 1 2.629 0.00 . . . . . . . 101 ASP HB* . 12032 1 180 . 1 1 15 15 ASP C C 13 175.349 0.00 . . . . . . . 101 ASP C . 12032 1 181 . 1 1 15 15 ASP CA C 13 54.445 0.08 . . . . . . . 101 ASP CA . 12032 1 182 . 1 1 15 15 ASP CB C 13 42.088 0.03 . . . . . . . 101 ASP CB . 12032 1 183 . 1 1 15 15 ASP CG C 13 182.162 0.00 . . . . . . . 101 ASP CG . 12032 1 184 . 1 1 15 15 ASP N N 15 124.493 0.10 . . . . . . . 101 ASP N . 12032 1 185 . 1 1 16 16 TRP H H 1 8.239 0.00 . . . . . . . 102 TRP H . 12032 1 186 . 1 1 16 16 TRP HA H 1 4.778 0.01 . . . . . . . 102 TRP HA . 12032 1 187 . 1 1 16 16 TRP HB2 H 1 3.356 0.01 . . . . . . . 102 TRP HB2 . 12032 1 188 . 1 1 16 16 TRP HB3 H 1 3.068 0.01 . . . . . . . 102 TRP HB3 . 12032 1 189 . 1 1 16 16 TRP HD1 H 1 7.200 0.02 . . . . . . . 102 TRP HD1 . 12032 1 190 . 1 1 16 16 TRP HE1 H 1 9.523 0.02 . . . . . . . 102 TRP HE1 . 12032 1 191 . 1 1 16 16 TRP HH2 H 1 6.590 0.03 . . . . . . . 102 TRP HH2 . 12032 1 192 . 1 1 16 16 TRP HZ2 H 1 6.955 0.01 . . . . . . . 102 TRP HZ2 . 12032 1 193 . 1 1 16 16 TRP C C 13 172.821 0.00 . . . . . . . 102 TRP C . 12032 1 194 . 1 1 16 16 TRP CA C 13 55.953 0.00 . . . . . . . 102 TRP CA . 12032 1 195 . 1 1 16 16 TRP CB C 13 30.618 0.04 . . . . . . . 102 TRP CB . 12032 1 196 . 1 1 16 16 TRP CD1 C 13 126.718 0.18 . . . . . . . 102 TRP CD1 . 12032 1 197 . 1 1 16 16 TRP CH2 C 13 122.293 0.02 . . . . . . . 102 TRP CH2 . 12032 1 198 . 1 1 16 16 TRP CZ2 C 13 112.553 0.10 . . . . . . . 102 TRP CZ2 . 12032 1 199 . 1 1 16 16 TRP N N 15 118.599 0.12 . . . . . . . 102 TRP N . 12032 1 200 . 1 1 16 16 TRP NE1 N 15 129.049 0.00 . . . . . . . 102 TRP NE1 . 12032 1 201 . 1 1 17 17 PHE H H 1 8.496 0.01 . . . . . . . 103 PHE H . 12032 1 202 . 1 1 17 17 PHE HA H 1 4.412 0.01 . . . . . . . 103 PHE HA . 12032 1 203 . 1 1 17 17 PHE HB2 H 1 2.912 0.02 . . . . . . . 103 PHE HB2 . 12032 1 204 . 1 1 17 17 PHE HB3 H 1 2.836 0.02 . . . . . . . 103 PHE HB3 . 12032 1 205 . 1 1 17 17 PHE HD1 H 1 7.084 0.01 . . . . . . . 103 PHE HD* . 12032 1 206 . 1 1 17 17 PHE HD2 H 1 7.084 0.01 . . . . . . . 103 PHE HD* . 12032 1 207 . 1 1 17 17 PHE HE1 H 1 7.275 0.00 . . . . . . . 103 PHE HE* . 12032 1 208 . 1 1 17 17 PHE HE2 H 1 7.275 0.00 . . . . . . . 103 PHE HE* . 12032 1 209 . 1 1 17 17 PHE C C 13 173.659 0.00 . . . . . . . 103 PHE C . 12032 1 210 . 1 1 17 17 PHE CA C 13 56.176 0.04 . . . . . . . 103 PHE CA . 12032 1 211 . 1 1 17 17 PHE CB C 13 41.998 0.07 . . . . . . . 103 PHE CB . 12032 1 212 . 1 1 17 17 PHE CD1 C 13 132.150 0.07 . . . . . . . 103 PHE CD* . 12032 1 213 . 1 1 17 17 PHE CD2 C 13 132.150 0.07 . . . . . . . 103 PHE CD* . 12032 1 214 . 1 1 17 17 PHE N N 15 119.339 0.11 . . . . . . . 103 PHE N . 12032 1 215 . 1 1 18 18 MET H H 1 8.127 0.01 . . . . . . . 104 MET H . 12032 1 216 . 1 1 18 18 MET HA H 1 4.373 0.00 . . . . . . . 104 MET HA . 12032 1 217 . 1 1 18 18 MET HB2 H 1 1.695 0.00 . . . . . . . 104 MET HB2 . 12032 1 218 . 1 1 18 18 MET HB3 H 1 1.711 0.01 . . . . . . . 104 MET HB3 . 12032 1 219 . 1 1 18 18 MET HG2 H 1 2.157 0.02 . . . . . . . 104 MET HG2 . 12032 1 220 . 1 1 18 18 MET HG3 H 1 2.121 0.02 . . . . . . . 104 MET HG3 . 12032 1 221 . 1 1 18 18 MET C C 13 174.740 0.00 . . . . . . . 104 MET C . 12032 1 222 . 1 1 18 18 MET CA C 13 53.967 0.04 . . . . . . . 104 MET CA . 12032 1 223 . 1 1 18 18 MET CB C 13 36.056 0.00 . . . . . . . 104 MET CB . 12032 1 224 . 1 1 18 18 MET CG C 13 34.225 0.00 . . . . . . . 104 MET CG . 12032 1 225 . 1 1 18 18 MET N N 15 119.888 0.09 . . . . . . . 104 MET N . 12032 1 226 . 1 1 19 19 LEU H H 1 9.566 0.00 . . . . . . . 105 LEU H . 12032 1 227 . 1 1 19 19 LEU HA H 1 4.174 0.01 . . . . . . . 105 LEU HA . 12032 1 228 . 1 1 19 19 LEU HB2 H 1 1.903 0.01 . . . . . . . 105 LEU HB2 . 12032 1 229 . 1 1 19 19 LEU HB3 H 1 1.898 0.00 . . . . . . . 105 LEU HB3 . 12032 1 230 . 1 1 19 19 LEU HD11 H 1 0.967 0.02 . . . . . . . 105 LEU HD1* . 12032 1 231 . 1 1 19 19 LEU HD12 H 1 0.967 0.02 . . . . . . . 105 LEU HD1* . 12032 1 232 . 1 1 19 19 LEU HD13 H 1 0.967 0.02 . . . . . . . 105 LEU HD1* . 12032 1 233 . 1 1 19 19 LEU HD21 H 1 0.950 0.02 . . . . . . . 105 LEU HD2* . 12032 1 234 . 1 1 19 19 LEU HD22 H 1 0.950 0.02 . . . . . . . 105 LEU HD2* . 12032 1 235 . 1 1 19 19 LEU HD23 H 1 0.950 0.02 . . . . . . . 105 LEU HD2* . 12032 1 236 . 1 1 19 19 LEU HG H 1 1.647 0.02 . . . . . . . 105 LEU HG . 12032 1 237 . 1 1 19 19 LEU C C 13 178.679 0.00 . . . . . . . 105 LEU C . 12032 1 238 . 1 1 19 19 LEU CA C 13 57.428 0.04 . . . . . . . 105 LEU CA . 12032 1 239 . 1 1 19 19 LEU CB C 13 42.147 0.04 . . . . . . . 105 LEU CB . 12032 1 240 . 1 1 19 19 LEU CD1 C 13 24.356 0.14 . . . . . . . 105 LEU CD1 . 12032 1 241 . 1 1 19 19 LEU CD2 C 13 24.334 0.14 . . . . . . . 105 LEU CD2 . 12032 1 242 . 1 1 19 19 LEU CG C 13 27.275 0.12 . . . . . . . 105 LEU CG . 12032 1 243 . 1 1 19 19 LEU N N 15 127.061 0.08 . . . . . . . 105 LEU N . 12032 1 244 . 1 1 20 20 MET H H 1 8.856 0.01 . . . . . . . 106 MET H . 12032 1 245 . 1 1 20 20 MET HA H 1 4.900 0.01 . . . . . . . 106 MET HA . 12032 1 246 . 1 1 20 20 MET HB2 H 1 1.760 0.01 . . . . . . . 106 MET HB2 . 12032 1 247 . 1 1 20 20 MET HB3 H 1 1.757 0.00 . . . . . . . 106 MET HB3 . 12032 1 248 . 1 1 20 20 MET HE1 H 1 1.067 0.00 . . . . . . . 106 MET HE* . 12032 1 249 . 1 1 20 20 MET HE2 H 1 1.067 0.00 . . . . . . . 106 MET HE* . 12032 1 250 . 1 1 20 20 MET HE3 H 1 1.067 0.00 . . . . . . . 106 MET HE* . 12032 1 251 . 1 1 20 20 MET HG2 H 1 2.508 0.03 . . . . . . . 106 MET HG2 . 12032 1 252 . 1 1 20 20 MET HG3 H 1 2.477 0.02 . . . . . . . 106 MET HG3 . 12032 1 253 . 1 1 20 20 MET CA C 13 52.487 0.07 . . . . . . . 106 MET CA . 12032 1 254 . 1 1 20 20 MET CB C 13 34.676 0.05 . . . . . . . 106 MET CB . 12032 1 255 . 1 1 20 20 MET N N 15 119.224 0.08 . . . . . . . 106 MET N . 12032 1 256 . 1 1 21 21 PRO HA H 1 4.682 0.01 . . . . . . . 107 PRO HA . 12032 1 257 . 1 1 21 21 PRO HB2 H 1 2.179 0.01 . . . . . . . 107 PRO HB2 . 12032 1 258 . 1 1 21 21 PRO HB3 H 1 1.849 0.01 . . . . . . . 107 PRO HB3 . 12032 1 259 . 1 1 21 21 PRO HD2 H 1 3.674 0.02 . . . . . . . 107 PRO HD2 . 12032 1 260 . 1 1 21 21 PRO HD3 H 1 3.644 0.00 . . . . . . . 107 PRO HD3 . 12032 1 261 . 1 1 21 21 PRO HG2 H 1 2.019 0.00 . . . . . . . 107 PRO HG2 . 12032 1 262 . 1 1 21 21 PRO HG3 H 1 2.019 0.00 . . . . . . . 107 PRO HG3 . 12032 1 263 . 1 1 21 21 PRO C C 13 177.518 0.00 . . . . . . . 107 PRO C . 12032 1 264 . 1 1 21 21 PRO CA C 13 64.374 0.03 . . . . . . . 107 PRO CA . 12032 1 265 . 1 1 21 21 PRO CB C 13 33.560 0.12 . . . . . . . 107 PRO CB . 12032 1 266 . 1 1 21 21 PRO CD C 13 50.581 0.00 . . . . . . . 107 PRO CD . 12032 1 267 . 1 1 21 21 PRO CG C 13 26.964 0.00 . . . . . . . 107 PRO CG . 12032 1 268 . 1 1 22 22 LYS H H 1 8.336 0.01 . . . . . . . 108 LYS H . 12032 1 269 . 1 1 22 22 LYS HA H 1 4.558 0.01 . . . . . . . 108 LYS HA . 12032 1 270 . 1 1 22 22 LYS HB2 H 1 1.950 0.02 . . . . . . . 108 LYS HB2 . 12032 1 271 . 1 1 22 22 LYS HB3 H 1 1.923 0.01 . . . . . . . 108 LYS HB3 . 12032 1 272 . 1 1 22 22 LYS HD2 H 1 1.684 0.01 . . . . . . . 108 LYS HD2 . 12032 1 273 . 1 1 22 22 LYS HD3 H 1 1.726 0.02 . . . . . . . 108 LYS HD3 . 12032 1 274 . 1 1 22 22 LYS HE2 H 1 2.902 0.02 . . . . . . . 108 LYS HE2 . 12032 1 275 . 1 1 22 22 LYS HE3 H 1 2.946 0.01 . . . . . . . 108 LYS HE3 . 12032 1 276 . 1 1 22 22 LYS HG2 H 1 1.356 0.02 . . . . . . . 108 LYS HG2 . 12032 1 277 . 1 1 22 22 LYS HG3 H 1 1.355 0.01 . . . . . . . 108 LYS HG3 . 12032 1 278 . 1 1 22 22 LYS C C 13 174.260 0.00 . . . . . . . 108 LYS C . 12032 1 279 . 1 1 22 22 LYS CA C 13 55.751 0.10 . . . . . . . 108 LYS CA . 12032 1 280 . 1 1 22 22 LYS CB C 13 34.907 0.07 . . . . . . . 108 LYS CB . 12032 1 281 . 1 1 22 22 LYS CD C 13 29.127 0.10 . . . . . . . 108 LYS CD . 12032 1 282 . 1 1 22 22 LYS CE C 13 42.007 0.14 . . . . . . . 108 LYS CE . 12032 1 283 . 1 1 22 22 LYS CG C 13 24.807 0.03 . . . . . . . 108 LYS CG . 12032 1 284 . 1 1 22 22 LYS N N 15 123.397 0.11 . . . . . . . 108 LYS N . 12032 1 285 . 1 1 23 23 GLN H H 1 8.754 0.01 . . . . . . . 109 GLN H . 12032 1 286 . 1 1 23 23 GLN HA H 1 5.578 0.01 . . . . . . . 109 GLN HA . 12032 1 287 . 1 1 23 23 GLN HB2 H 1 1.932 0.00 . . . . . . . 109 GLN HB2 . 12032 1 288 . 1 1 23 23 GLN HB3 H 1 1.935 0.00 . . . . . . . 109 GLN HB3 . 12032 1 289 . 1 1 23 23 GLN HE21 H 1 6.831 0.00 . . . . . . . 109 GLN HE21 . 12032 1 290 . 1 1 23 23 GLN HE22 H 1 7.280 0.00 . . . . . . . 109 GLN HE22 . 12032 1 291 . 1 1 23 23 GLN HG2 H 1 2.103 0.03 . . . . . . . 109 GLN HG2 . 12032 1 292 . 1 1 23 23 GLN HG3 H 1 2.113 0.02 . . . . . . . 109 GLN HG3 . 12032 1 293 . 1 1 23 23 GLN C C 13 174.335 0.00 . . . . . . . 109 GLN C . 12032 1 294 . 1 1 23 23 GLN CA C 13 54.278 0.09 . . . . . . . 109 GLN CA . 12032 1 295 . 1 1 23 23 GLN CB C 13 32.560 0.18 . . . . . . . 109 GLN CB . 12032 1 296 . 1 1 23 23 GLN CG C 13 34.652 0.14 . . . . . . . 109 GLN CG . 12032 1 297 . 1 1 23 23 GLN N N 15 125.822 0.08 . . . . . . . 109 GLN N . 12032 1 298 . 1 1 23 23 GLN NE2 N 15 111.817 0.00 . . . . . . . 109 GLN NE2 . 12032 1 299 . 1 1 23 23 GLN CD C 13 190.624 0.00 . . . . . . . 109 GLN CD . 12032 1 300 . 1 1 24 24 LYS H H 1 9.319 0.01 . . . . . . . 110 LYS H . 12032 1 301 . 1 1 24 24 LYS HA H 1 4.689 0.01 . . . . . . . 110 LYS HA . 12032 1 302 . 1 1 24 24 LYS HB2 H 1 1.821 0.01 . . . . . . . 110 LYS HB2 . 12032 1 303 . 1 1 24 24 LYS HB3 H 1 1.813 0.01 . . . . . . . 110 LYS HB3 . 12032 1 304 . 1 1 24 24 LYS HD2 H 1 1.658 0.02 . . . . . . . 110 LYS HD2 . 12032 1 305 . 1 1 24 24 LYS HD3 H 1 1.674 0.00 . . . . . . . 110 LYS HD3 . 12032 1 306 . 1 1 24 24 LYS HE2 H 1 2.957 0.02 . . . . . . . 110 LYS HE2 . 12032 1 307 . 1 1 24 24 LYS HE3 H 1 2.963 0.00 . . . . . . . 110 LYS HE3 . 12032 1 308 . 1 1 24 24 LYS HG2 H 1 1.351 0.01 . . . . . . . 110 LYS HG2 . 12032 1 309 . 1 1 24 24 LYS HG3 H 1 1.350 0.01 . . . . . . . 110 LYS HG3 . 12032 1 310 . 1 1 24 24 LYS C C 13 173.925 0.00 . . . . . . . 110 LYS C . 12032 1 311 . 1 1 24 24 LYS CA C 13 54.780 0.12 . . . . . . . 110 LYS CA . 12032 1 312 . 1 1 24 24 LYS CB C 13 37.058 0.10 . . . . . . . 110 LYS CB . 12032 1 313 . 1 1 24 24 LYS CD C 13 29.169 0.00 . . . . . . . 110 LYS CD . 12032 1 314 . 1 1 24 24 LYS CE C 13 41.975 0.01 . . . . . . . 110 LYS CE . 12032 1 315 . 1 1 24 24 LYS CG C 13 24.823 0.03 . . . . . . . 110 LYS CG . 12032 1 316 . 1 1 24 24 LYS N N 15 125.697 0.11 . . . . . . . 110 LYS N . 12032 1 317 . 1 1 25 25 VAL H H 1 8.599 0.01 . . . . . . . 111 VAL H . 12032 1 318 . 1 1 25 25 VAL HA H 1 4.837 0.01 . . . . . . . 111 VAL HA . 12032 1 319 . 1 1 25 25 VAL HB H 1 1.946 0.01 . . . . . . . 111 VAL HB . 12032 1 320 . 1 1 25 25 VAL HG11 H 1 0.847 0.01 . . . . . . . 111 VAL HG1* . 12032 1 321 . 1 1 25 25 VAL HG12 H 1 0.847 0.01 . . . . . . . 111 VAL HG1* . 12032 1 322 . 1 1 25 25 VAL HG13 H 1 0.847 0.01 . . . . . . . 111 VAL HG1* . 12032 1 323 . 1 1 25 25 VAL HG21 H 1 0.886 0.02 . . . . . . . 111 VAL HG2* . 12032 1 324 . 1 1 25 25 VAL HG22 H 1 0.886 0.02 . . . . . . . 111 VAL HG2* . 12032 1 325 . 1 1 25 25 VAL HG23 H 1 0.886 0.02 . . . . . . . 111 VAL HG2* . 12032 1 326 . 1 1 25 25 VAL C C 13 175.406 0.00 . . . . . . . 111 VAL C . 12032 1 327 . 1 1 25 25 VAL CA C 13 61.520 0.00 . . . . . . . 111 VAL CA . 12032 1 328 . 1 1 25 25 VAL CB C 13 33.457 0.07 . . . . . . . 111 VAL CB . 12032 1 329 . 1 1 25 25 VAL CG1 C 13 21.625 0.06 . . . . . . . 111 VAL CG1 . 12032 1 330 . 1 1 25 25 VAL CG2 C 13 21.645 0.17 . . . . . . . 111 VAL CG2 . 12032 1 331 . 1 1 25 25 VAL N N 15 123.048 0.12 . . . . . . . 111 VAL N . 12032 1 332 . 1 1 26 26 ALA H H 1 8.789 0.01 . . . . . . . 112 ALA H . 12032 1 333 . 1 1 26 26 ALA HA H 1 4.664 0.01 . . . . . . . 112 ALA HA . 12032 1 334 . 1 1 26 26 ALA HB1 H 1 1.215 0.01 . . . . . . . 112 ALA HB* . 12032 1 335 . 1 1 26 26 ALA HB2 H 1 1.215 0.01 . . . . . . . 112 ALA HB* . 12032 1 336 . 1 1 26 26 ALA HB3 H 1 1.215 0.01 . . . . . . . 112 ALA HB* . 12032 1 337 . 1 1 26 26 ALA C C 13 176.868 0.00 . . . . . . . 112 ALA C . 12032 1 338 . 1 1 26 26 ALA CA C 13 50.987 0.11 . . . . . . . 112 ALA CA . 12032 1 339 . 1 1 26 26 ALA CB C 13 20.145 0.03 . . . . . . . 112 ALA CB . 12032 1 340 . 1 1 26 26 ALA N N 15 131.503 0.12 . . . . . . . 112 ALA N . 12032 1 341 . 1 1 27 27 GLY H H 1 8.856 0.00 . . . . . . . 113 GLY H . 12032 1 342 . 1 1 27 27 GLY C C 13 173.712 0.00 . . . . . . . 113 GLY C . 12032 1 343 . 1 1 27 27 GLY CA C 13 47.661 0.00 . . . . . . . 113 GLY CA . 12032 1 344 . 1 1 27 27 GLY N N 15 114.885 0.08 . . . . . . . 113 GLY N . 12032 1 345 . 1 1 28 28 SER H H 1 8.305 0.00 . . . . . . . 114 SER H . 12032 1 346 . 1 1 28 28 SER HA H 1 4.408 0.02 . . . . . . . 114 SER HA . 12032 1 347 . 1 1 28 28 SER C C 13 172.844 0.00 . . . . . . . 114 SER C . 12032 1 348 . 1 1 28 28 SER CA C 13 58.096 0.11 . . . . . . . 114 SER CA . 12032 1 349 . 1 1 28 28 SER CB C 13 63.486 0.00 . . . . . . . 114 SER CB . 12032 1 350 . 1 1 28 28 SER N N 15 116.077 0.17 . . . . . . . 114 SER N . 12032 1 351 . 1 1 29 29 LEU H H 1 7.921 0.01 . . . . . . . 115 LEU H . 12032 1 352 . 1 1 29 29 LEU HA H 1 4.805 0.02 . . . . . . . 115 LEU HA . 12032 1 353 . 1 1 29 29 LEU HB2 H 1 1.897 0.01 . . . . . . . 115 LEU HB2 . 12032 1 354 . 1 1 29 29 LEU HB3 H 1 1.908 0.02 . . . . . . . 115 LEU HB3 . 12032 1 355 . 1 1 29 29 LEU HD11 H 1 0.284 0.00 . . . . . . . 115 LEU HD1* . 12032 1 356 . 1 1 29 29 LEU HD12 H 1 0.284 0.00 . . . . . . . 115 LEU HD1* . 12032 1 357 . 1 1 29 29 LEU HD13 H 1 0.284 0.00 . . . . . . . 115 LEU HD1* . 12032 1 358 . 1 1 29 29 LEU HD21 H 1 0.283 0.01 . . . . . . . 115 LEU HD2* . 12032 1 359 . 1 1 29 29 LEU HD22 H 1 0.283 0.01 . . . . . . . 115 LEU HD2* . 12032 1 360 . 1 1 29 29 LEU HD23 H 1 0.283 0.01 . . . . . . . 115 LEU HD2* . 12032 1 361 . 1 1 29 29 LEU HG H 1 0.520 0.02 . . . . . . . 115 LEU HG . 12032 1 362 . 1 1 29 29 LEU C C 13 173.892 0.00 . . . . . . . 115 LEU C . 12032 1 363 . 1 1 29 29 LEU CA C 13 53.406 0.00 . . . . . . . 115 LEU CA . 12032 1 364 . 1 1 29 29 LEU CB C 13 44.385 0.07 . . . . . . . 115 LEU CB . 12032 1 365 . 1 1 29 29 LEU CD1 C 13 22.887 0.16 . . . . . . . 115 LEU CD1 . 12032 1 366 . 1 1 29 29 LEU CD2 C 13 22.941 0.15 . . . . . . . 115 LEU CD2 . 12032 1 367 . 1 1 29 29 LEU CG C 13 26.831 0.03 . . . . . . . 115 LEU CG . 12032 1 368 . 1 1 29 29 LEU N N 15 120.232 0.05 . . . . . . . 115 LEU N . 12032 1 369 . 1 1 30 30 CYS H H 1 9.120 0.01 . . . . . . . 116 CYS H . 12032 1 370 . 1 1 30 30 CYS HA H 1 4.813 0.01 . . . . . . . 116 CYS HA . 12032 1 371 . 1 1 30 30 CYS HB2 H 1 3.017 0.01 . . . . . . . 116 CYS HB2 . 12032 1 372 . 1 1 30 30 CYS HB3 H 1 2.639 0.01 . . . . . . . 116 CYS HB3 . 12032 1 373 . 1 1 30 30 CYS C C 13 173.475 0.00 . . . . . . . 116 CYS C . 12032 1 374 . 1 1 30 30 CYS CA C 13 58.071 0.00 . . . . . . . 116 CYS CA . 12032 1 375 . 1 1 30 30 CYS CB C 13 27.989 0.08 . . . . . . . 116 CYS CB . 12032 1 376 . 1 1 30 30 CYS N N 15 121.385 0.09 . . . . . . . 116 CYS N . 12032 1 377 . 1 1 31 31 ILE H H 1 9.385 0.01 . . . . . . . 117 ILE H . 12032 1 378 . 1 1 31 31 ILE HA H 1 4.837 0.02 . . . . . . . 117 ILE HA . 12032 1 379 . 1 1 31 31 ILE HB H 1 1.834 0.01 . . . . . . . 117 ILE HB . 12032 1 380 . 1 1 31 31 ILE HD11 H 1 0.870 0.01 . . . . . . . 117 ILE HD1* . 12032 1 381 . 1 1 31 31 ILE HD12 H 1 0.870 0.01 . . . . . . . 117 ILE HD1* . 12032 1 382 . 1 1 31 31 ILE HD13 H 1 0.870 0.01 . . . . . . . 117 ILE HD1* . 12032 1 383 . 1 1 31 31 ILE HG12 H 1 1.075 0.01 . . . . . . . 117 ILE HG12 . 12032 1 384 . 1 1 31 31 ILE HG13 H 1 1.025 0.02 . . . . . . . 117 ILE HG13 . 12032 1 385 . 1 1 31 31 ILE HG21 H 1 0.805 0.01 . . . . . . . 117 ILE HG2* . 12032 1 386 . 1 1 31 31 ILE HG22 H 1 0.805 0.01 . . . . . . . 117 ILE HG2* . 12032 1 387 . 1 1 31 31 ILE HG23 H 1 0.805 0.01 . . . . . . . 117 ILE HG2* . 12032 1 388 . 1 1 31 31 ILE C C 13 175.051 0.00 . . . . . . . 117 ILE C . 12032 1 389 . 1 1 31 31 ILE CA C 13 61.234 0.28 . . . . . . . 117 ILE CA . 12032 1 390 . 1 1 31 31 ILE CB C 13 40.534 0.06 . . . . . . . 117 ILE CB . 12032 1 391 . 1 1 31 31 ILE CD1 C 13 16.385 0.11 . . . . . . . 117 ILE CD1 . 12032 1 392 . 1 1 31 31 ILE CG1 C 13 29.266 0.07 . . . . . . . 117 ILE CG1 . 12032 1 393 . 1 1 31 31 ILE CG2 C 13 20.041 0.07 . . . . . . . 117 ILE CG2 . 12032 1 394 . 1 1 31 31 ILE N N 15 129.706 0.07 . . . . . . . 117 ILE N . 12032 1 395 . 1 1 32 32 ARG H H 1 9.416 0.02 . . . . . . . 118 ARG H . 12032 1 396 . 1 1 32 32 ARG HA H 1 5.551 0.02 . . . . . . . 118 ARG HA . 12032 1 397 . 1 1 32 32 ARG HB2 H 1 1.885 0.01 . . . . . . . 118 ARG HB2 . 12032 1 398 . 1 1 32 32 ARG HB3 H 1 1.904 0.01 . . . . . . . 118 ARG HB3 . 12032 1 399 . 1 1 32 32 ARG HD2 H 1 3.110 0.01 . . . . . . . 118 ARG HD2 . 12032 1 400 . 1 1 32 32 ARG HD3 H 1 3.083 0.00 . . . . . . . 118 ARG HD3 . 12032 1 401 . 1 1 32 32 ARG HE H 1 7.130 0.00 . . . . . . . 118 ARG HE . 12032 1 402 . 1 1 32 32 ARG HG2 H 1 1.630 0.02 . . . . . . . 118 ARG HG2 . 12032 1 403 . 1 1 32 32 ARG HG3 H 1 1.621 0.00 . . . . . . . 118 ARG HG3 . 12032 1 404 . 1 1 32 32 ARG C C 13 174.923 0.00 . . . . . . . 118 ARG C . 12032 1 405 . 1 1 32 32 ARG CA C 13 54.436 0.08 . . . . . . . 118 ARG CA . 12032 1 406 . 1 1 32 32 ARG CB C 13 34.849 0.06 . . . . . . . 118 ARG CB . 12032 1 407 . 1 1 32 32 ARG CD C 13 44.013 0.06 . . . . . . . 118 ARG CD . 12032 1 408 . 1 1 32 32 ARG CG C 13 28.195 0.20 . . . . . . . 118 ARG CG . 12032 1 409 . 1 1 32 32 ARG N N 15 126.238 0.08 . . . . . . . 118 ARG N . 12032 1 410 . 1 1 32 32 ARG NE N 15 114.531 0.00 . . . . . . . 118 ARG NE . 12032 1 411 . 1 1 33 33 MET H H 1 8.751 0.01 . . . . . . . 119 MET H . 12032 1 412 . 1 1 33 33 MET HA H 1 5.216 0.01 . . . . . . . 119 MET HA . 12032 1 413 . 1 1 33 33 MET HB2 H 1 1.853 0.01 . . . . . . . 119 MET HB2 . 12032 1 414 . 1 1 33 33 MET HB3 H 1 1.837 0.00 . . . . . . . 119 MET HB3 . 12032 1 415 . 1 1 33 33 MET HG2 H 1 2.307 0.01 . . . . . . . 119 MET HG2 . 12032 1 416 . 1 1 33 33 MET HG3 H 1 2.332 0.02 . . . . . . . 119 MET HG3 . 12032 1 417 . 1 1 33 33 MET C C 13 172.370 0.00 . . . . . . . 119 MET C . 12032 1 418 . 1 1 33 33 MET CA C 13 55.141 0.03 . . . . . . . 119 MET CA . 12032 1 419 . 1 1 33 33 MET CB C 13 36.225 0.01 . . . . . . . 119 MET CB . 12032 1 420 . 1 1 33 33 MET CG C 13 31.087 0.23 . . . . . . . 119 MET CG . 12032 1 421 . 1 1 33 33 MET N N 15 116.964 0.08 . . . . . . . 119 MET N . 12032 1 422 . 1 1 34 34 ASP H H 1 8.078 0.01 . . . . . . . 120 ASP H . 12032 1 423 . 1 1 34 34 ASP HA H 1 4.751 0.02 . . . . . . . 120 ASP HA . 12032 1 424 . 1 1 34 34 ASP HB2 H 1 3.310 0.01 . . . . . . . 120 ASP HB2 . 12032 1 425 . 1 1 34 34 ASP HB3 H 1 2.536 0.01 . . . . . . . 120 ASP HB3 . 12032 1 426 . 1 1 34 34 ASP C C 13 177.690 0.00 . . . . . . . 120 ASP C . 12032 1 427 . 1 1 34 34 ASP CA C 13 52.864 0.12 . . . . . . . 120 ASP CA . 12032 1 428 . 1 1 34 34 ASP CB C 13 42.341 0.07 . . . . . . . 120 ASP CB . 12032 1 429 . 1 1 34 34 ASP N N 15 119.490 0.10 . . . . . . . 120 ASP N . 12032 1 430 . 1 1 35 35 GLN H H 1 9.259 0.01 . . . . . . . 121 GLN H . 12032 1 431 . 1 1 35 35 GLN HA H 1 4.126 0.01 . . . . . . . 121 GLN HA . 12032 1 432 . 1 1 35 35 GLN HB2 H 1 2.146 0.02 . . . . . . . 121 GLN HB2 . 12032 1 433 . 1 1 35 35 GLN HB3 H 1 2.108 0.02 . . . . . . . 121 GLN HB3 . 12032 1 434 . 1 1 35 35 GLN HE21 H 1 7.051 0.01 . . . . . . . 121 GLN HE21 . 12032 1 435 . 1 1 35 35 GLN HE22 H 1 7.077 0.00 . . . . . . . 121 GLN HE22 . 12032 1 436 . 1 1 35 35 GLN HG2 H 1 2.533 0.01 . . . . . . . 121 GLN HG2 . 12032 1 437 . 1 1 35 35 GLN HG3 H 1 2.302 0.01 . . . . . . . 121 GLN HG3 . 12032 1 438 . 1 1 35 35 GLN C C 13 175.006 0.00 . . . . . . . 121 GLN C . 12032 1 439 . 1 1 35 35 GLN CA C 13 57.158 0.11 . . . . . . . 121 GLN CA . 12032 1 440 . 1 1 35 35 GLN CB C 13 29.477 0.12 . . . . . . . 121 GLN CB . 12032 1 441 . 1 1 35 35 GLN CG C 13 35.455 0.10 . . . . . . . 121 GLN CG . 12032 1 442 . 1 1 35 35 GLN N N 15 126.124 0.12 . . . . . . . 121 GLN N . 12032 1 443 . 1 1 35 35 GLN NE2 N 15 111.600 0.00 . . . . . . . 121 GLN NE2 . 12032 1 444 . 1 1 35 35 GLN CD C 13 182.715 0.00 . . . . . . . 121 GLN CD . 12032 1 445 . 1 1 36 36 ALA H H 1 8.557 0.01 . . . . . . . 122 ALA H . 12032 1 446 . 1 1 36 36 ALA HA H 1 4.277 0.01 . . . . . . . 122 ALA HA . 12032 1 447 . 1 1 36 36 ALA HB1 H 1 1.441 0.01 . . . . . . . 122 ALA HB* . 12032 1 448 . 1 1 36 36 ALA HB2 H 1 1.441 0.01 . . . . . . . 122 ALA HB* . 12032 1 449 . 1 1 36 36 ALA HB3 H 1 1.441 0.01 . . . . . . . 122 ALA HB* . 12032 1 450 . 1 1 36 36 ALA C C 13 177.692 0.00 . . . . . . . 122 ALA C . 12032 1 451 . 1 1 36 36 ALA CA C 13 52.889 0.11 . . . . . . . 122 ALA CA . 12032 1 452 . 1 1 36 36 ALA CB C 13 20.557 0.06 . . . . . . . 122 ALA CB . 12032 1 453 . 1 1 36 36 ALA N N 15 119.662 0.10 . . . . . . . 122 ALA N . 12032 1 454 . 1 1 37 37 ILE H H 1 6.701 0.01 . . . . . . . 123 ILE H . 12032 1 455 . 1 1 37 37 ILE HA H 1 4.117 0.01 . . . . . . . 123 ILE HA . 12032 1 456 . 1 1 37 37 ILE HB H 1 2.042 0.01 . . . . . . . 123 ILE HB . 12032 1 457 . 1 1 37 37 ILE HG12 H 1 1.547 0.02 . . . . . . . 123 ILE HG12 . 12032 1 458 . 1 1 37 37 ILE HG13 H 1 1.484 0.02 . . . . . . . 123 ILE HG13 . 12032 1 459 . 1 1 37 37 ILE HG21 H 1 0.822 0.01 . . . . . . . 123 ILE HG2* . 12032 1 460 . 1 1 37 37 ILE HG22 H 1 0.822 0.01 . . . . . . . 123 ILE HG2* . 12032 1 461 . 1 1 37 37 ILE HG23 H 1 0.822 0.01 . . . . . . . 123 ILE HG2* . 12032 1 462 . 1 1 37 37 ILE C C 13 175.121 0.00 . . . . . . . 123 ILE C . 12032 1 463 . 1 1 37 37 ILE CA C 13 58.930 0.03 . . . . . . . 123 ILE CA . 12032 1 464 . 1 1 37 37 ILE CB C 13 36.163 0.08 . . . . . . . 123 ILE CB . 12032 1 465 . 1 1 37 37 ILE CD1 C 13 13.329 0.00 . . . . . . . 123 ILE CD1 . 12032 1 466 . 1 1 37 37 ILE CG1 C 13 26.914 0.17 . . . . . . . 123 ILE CG1 . 12032 1 467 . 1 1 37 37 ILE CG2 C 13 16.788 0.03 . . . . . . . 123 ILE CG2 . 12032 1 468 . 1 1 37 37 ILE N N 15 116.962 0.11 . . . . . . . 123 ILE N . 12032 1 469 . 1 1 38 38 MET H H 1 8.478 0.01 . . . . . . . 124 MET H . 12032 1 470 . 1 1 38 38 MET HA H 1 5.216 0.01 . . . . . . . 124 MET HA . 12032 1 471 . 1 1 38 38 MET HB2 H 1 2.089 0.01 . . . . . . . 124 MET HB2 . 12032 1 472 . 1 1 38 38 MET HB3 H 1 1.839 0.01 . . . . . . . 124 MET HB3 . 12032 1 473 . 1 1 38 38 MET HG2 H 1 2.452 0.02 . . . . . . . 124 MET HG2 . 12032 1 474 . 1 1 38 38 MET HG3 H 1 2.495 0.01 . . . . . . . 124 MET HG3 . 12032 1 475 . 1 1 38 38 MET C C 13 175.267 0.00 . . . . . . . 124 MET C . 12032 1 476 . 1 1 38 38 MET CA C 13 54.954 0.10 . . . . . . . 124 MET CA . 12032 1 477 . 1 1 38 38 MET CB C 13 37.287 0.09 . . . . . . . 124 MET CB . 12032 1 478 . 1 1 38 38 MET CG C 13 31.561 0.06 . . . . . . . 124 MET CG . 12032 1 479 . 1 1 38 38 MET N N 15 128.034 0.09 . . . . . . . 124 MET N . 12032 1 480 . 1 1 39 39 ASP H H 1 6.879 0.01 . . . . . . . 125 ASP H . 12032 1 481 . 1 1 39 39 ASP HA H 1 4.504 0.01 . . . . . . . 125 ASP HA . 12032 1 482 . 1 1 39 39 ASP HB2 H 1 3.028 0.02 . . . . . . . 125 ASP HB2 . 12032 1 483 . 1 1 39 39 ASP HB3 H 1 2.688 0.01 . . . . . . . 125 ASP HB3 . 12032 1 484 . 1 1 39 39 ASP C C 13 175.475 0.00 . . . . . . . 125 ASP C . 12032 1 485 . 1 1 39 39 ASP CA C 13 55.813 0.10 . . . . . . . 125 ASP CA . 12032 1 486 . 1 1 39 39 ASP CB C 13 39.805 0.14 . . . . . . . 125 ASP CB . 12032 1 487 . 1 1 39 39 ASP CG C 13 185.148 0.00 . . . . . . . 125 ASP CG . 12032 1 488 . 1 1 39 39 ASP N N 15 113.734 0.10 . . . . . . . 125 ASP N . 12032 1 489 . 1 1 40 40 LYS H H 1 9.377 0.01 . . . . . . . 126 LYS H . 12032 1 490 . 1 1 40 40 LYS HA H 1 4.856 0.01 . . . . . . . 126 LYS HA . 12032 1 491 . 1 1 40 40 LYS HB2 H 1 1.710 0.02 . . . . . . . 126 LYS HB2 . 12032 1 492 . 1 1 40 40 LYS HB3 H 1 1.717 0.02 . . . . . . . 126 LYS HB3 . 12032 1 493 . 1 1 40 40 LYS HG2 H 1 1.311 0.02 . . . . . . . 126 LYS HG2 . 12032 1 494 . 1 1 40 40 LYS HG3 H 1 1.330 0.00 . . . . . . . 126 LYS HG3 . 12032 1 495 . 1 1 40 40 LYS C C 13 175.959 0.00 . . . . . . . 126 LYS C . 12032 1 496 . 1 1 40 40 LYS CA C 13 53.667 0.10 . . . . . . . 126 LYS CA . 12032 1 497 . 1 1 40 40 LYS CB C 13 34.515 0.15 . . . . . . . 126 LYS CB . 12032 1 498 . 1 1 40 40 LYS CD C 13 28.227 0.00 . . . . . . . 126 LYS CD . 12032 1 499 . 1 1 40 40 LYS CE C 13 42.534 0.00 . . . . . . . 126 LYS CE . 12032 1 500 . 1 1 40 40 LYS CG C 13 24.748 0.00 . . . . . . . 126 LYS CG . 12032 1 501 . 1 1 40 40 LYS N N 15 117.814 0.08 . . . . . . . 126 LYS N . 12032 1 502 . 1 1 41 41 ASN H H 1 8.614 0.01 . . . . . . . 127 ASN H . 12032 1 503 . 1 1 41 41 ASN HA H 1 5.307 0.01 . . . . . . . 127 ASN HA . 12032 1 504 . 1 1 41 41 ASN HB2 H 1 2.670 0.02 . . . . . . . 127 ASN HB2 . 12032 1 505 . 1 1 41 41 ASN HB3 H 1 2.686 0.01 . . . . . . . 127 ASN HB3 . 12032 1 506 . 1 1 41 41 ASN HD21 H 1 7.699 0.01 . . . . . . . 127 ASN HD21 . 12032 1 507 . 1 1 41 41 ASN HD22 H 1 6.857 0.01 . . . . . . . 127 ASN HD22 . 12032 1 508 . 1 1 41 41 ASN C C 13 174.666 0.00 . . . . . . . 127 ASN C . 12032 1 509 . 1 1 41 41 ASN CA C 13 52.876 0.09 . . . . . . . 127 ASN CA . 12032 1 510 . 1 1 41 41 ASN CB C 13 39.306 0.08 . . . . . . . 127 ASN CB . 12032 1 511 . 1 1 41 41 ASN CG C 13 182.638 0.00 . . . . . . . 127 ASN CG . 12032 1 512 . 1 1 41 41 ASN N N 15 119.723 0.10 . . . . . . . 127 ASN N . 12032 1 513 . 1 1 41 41 ASN ND2 N 15 113.607 0.08 . . . . . . . 127 ASN ND2 . 12032 1 514 . 1 1 42 42 ILE H H 1 9.084 0.01 . . . . . . . 128 ILE H . 12032 1 515 . 1 1 42 42 ILE HA H 1 4.965 0.01 . . . . . . . 128 ILE HA . 12032 1 516 . 1 1 42 42 ILE HB H 1 1.633 0.02 . . . . . . . 128 ILE HB . 12032 1 517 . 1 1 42 42 ILE HD11 H 1 0.679 0.00 . . . . . . . 128 ILE HD1* . 12032 1 518 . 1 1 42 42 ILE HD12 H 1 0.679 0.00 . . . . . . . 128 ILE HD1* . 12032 1 519 . 1 1 42 42 ILE HD13 H 1 0.679 0.00 . . . . . . . 128 ILE HD1* . 12032 1 520 . 1 1 42 42 ILE HG12 H 1 1.297 0.02 . . . . . . . 128 ILE HG12 . 12032 1 521 . 1 1 42 42 ILE HG13 H 1 0.891 0.02 . . . . . . . 128 ILE HG13 . 12032 1 522 . 1 1 42 42 ILE HG21 H 1 0.652 0.01 . . . . . . . 128 ILE HG2* . 12032 1 523 . 1 1 42 42 ILE HG22 H 1 0.652 0.01 . . . . . . . 128 ILE HG2* . 12032 1 524 . 1 1 42 42 ILE HG23 H 1 0.652 0.01 . . . . . . . 128 ILE HG2* . 12032 1 525 . 1 1 42 42 ILE C C 13 174.241 0.00 . . . . . . . 128 ILE C . 12032 1 526 . 1 1 42 42 ILE CA C 13 58.749 0.06 . . . . . . . 128 ILE CA . 12032 1 527 . 1 1 42 42 ILE CB C 13 41.143 0.13 . . . . . . . 128 ILE CB . 12032 1 528 . 1 1 42 42 ILE CD1 C 13 14.561 0.00 . . . . . . . 128 ILE CD1 . 12032 1 529 . 1 1 42 42 ILE CG1 C 13 28.399 0.09 . . . . . . . 128 ILE CG1 . 12032 1 530 . 1 1 42 42 ILE CG2 C 13 18.772 0.05 . . . . . . . 128 ILE CG2 . 12032 1 531 . 1 1 42 42 ILE N N 15 125.383 0.11 . . . . . . . 128 ILE N . 12032 1 532 . 1 1 43 43 ILE H H 1 9.447 0.01 . . . . . . . 129 ILE H . 12032 1 533 . 1 1 43 43 ILE HA H 1 5.207 0.01 . . . . . . . 129 ILE HA . 12032 1 534 . 1 1 43 43 ILE HB H 1 1.629 0.01 . . . . . . . 129 ILE HB . 12032 1 535 . 1 1 43 43 ILE HD11 H 1 0.759 0.01 . . . . . . . 129 ILE HD1* . 12032 1 536 . 1 1 43 43 ILE HD12 H 1 0.759 0.01 . . . . . . . 129 ILE HD1* . 12032 1 537 . 1 1 43 43 ILE HD13 H 1 0.759 0.01 . . . . . . . 129 ILE HD1* . 12032 1 538 . 1 1 43 43 ILE HG12 H 1 1.077 0.00 . . . . . . . 129 ILE HG12 . 12032 1 539 . 1 1 43 43 ILE HG13 H 1 1.107 0.02 . . . . . . . 129 ILE HG13 . 12032 1 540 . 1 1 43 43 ILE HG21 H 1 0.932 0.01 . . . . . . . 129 ILE HG2* . 12032 1 541 . 1 1 43 43 ILE HG22 H 1 0.932 0.01 . . . . . . . 129 ILE HG2* . 12032 1 542 . 1 1 43 43 ILE HG23 H 1 0.932 0.01 . . . . . . . 129 ILE HG2* . 12032 1 543 . 1 1 43 43 ILE C C 13 174.407 0.00 . . . . . . . 129 ILE C . 12032 1 544 . 1 1 43 43 ILE CA C 13 57.705 0.04 . . . . . . . 129 ILE CA . 12032 1 545 . 1 1 43 43 ILE CB C 13 42.030 0.15 . . . . . . . 129 ILE CB . 12032 1 546 . 1 1 43 43 ILE CD1 C 13 14.282 0.02 . . . . . . . 129 ILE CD1 . 12032 1 547 . 1 1 43 43 ILE CG1 C 13 29.334 0.03 . . . . . . . 129 ILE CG1 . 12032 1 548 . 1 1 43 43 ILE CG2 C 13 17.569 0.02 . . . . . . . 129 ILE CG2 . 12032 1 549 . 1 1 43 43 ILE N N 15 126.961 0.09 . . . . . . . 129 ILE N . 12032 1 550 . 1 1 44 44 LEU H H 1 8.567 0.01 . . . . . . . 130 LEU H . 12032 1 551 . 1 1 44 44 LEU HA H 1 5.013 0.01 . . . . . . . 130 LEU HA . 12032 1 552 . 1 1 44 44 LEU HB2 H 1 1.827 0.01 . . . . . . . 130 LEU HB2 . 12032 1 553 . 1 1 44 44 LEU HB3 H 1 1.845 0.00 . . . . . . . 130 LEU HB3 . 12032 1 554 . 1 1 44 44 LEU HD11 H 1 0.611 0.02 . . . . . . . 130 LEU HD1* . 12032 1 555 . 1 1 44 44 LEU HD12 H 1 0.611 0.02 . . . . . . . 130 LEU HD1* . 12032 1 556 . 1 1 44 44 LEU HD13 H 1 0.611 0.02 . . . . . . . 130 LEU HD1* . 12032 1 557 . 1 1 44 44 LEU HD21 H 1 0.681 0.02 . . . . . . . 130 LEU HD2* . 12032 1 558 . 1 1 44 44 LEU HD22 H 1 0.681 0.02 . . . . . . . 130 LEU HD2* . 12032 1 559 . 1 1 44 44 LEU HD23 H 1 0.681 0.02 . . . . . . . 130 LEU HD2* . 12032 1 560 . 1 1 44 44 LEU HG H 1 1.172 0.02 . . . . . . . 130 LEU HG . 12032 1 561 . 1 1 44 44 LEU C C 13 174.541 0.00 . . . . . . . 130 LEU C . 12032 1 562 . 1 1 44 44 LEU CA C 13 54.036 0.12 . . . . . . . 130 LEU CA . 12032 1 563 . 1 1 44 44 LEU CB C 13 41.994 0.03 . . . . . . . 130 LEU CB . 12032 1 564 . 1 1 44 44 LEU CD1 C 13 24.358 0.02 . . . . . . . 130 LEU CD1 . 12032 1 565 . 1 1 44 44 LEU CD2 C 13 25.377 0.07 . . . . . . . 130 LEU CD2 . 12032 1 566 . 1 1 44 44 LEU CG C 13 27.302 0.01 . . . . . . . 130 LEU CG . 12032 1 567 . 1 1 44 44 LEU N N 15 125.596 0.09 . . . . . . . 130 LEU N . 12032 1 568 . 1 1 45 45 LYS H H 1 8.908 0.01 . . . . . . . 131 LYS H . 12032 1 569 . 1 1 45 45 LYS HA H 1 4.934 0.01 . . . . . . . 131 LYS HA . 12032 1 570 . 1 1 45 45 LYS HB2 H 1 1.871 0.02 . . . . . . . 131 LYS HB2 . 12032 1 571 . 1 1 45 45 LYS HB3 H 1 1.853 0.00 . . . . . . . 131 LYS HB3 . 12032 1 572 . 1 1 45 45 LYS HD2 H 1 1.506 0.00 . . . . . . . 131 LYS HD2 . 12032 1 573 . 1 1 45 45 LYS HD3 H 1 1.506 0.00 . . . . . . . 131 LYS HD3 . 12032 1 574 . 1 1 45 45 LYS HG2 H 1 1.365 0.01 . . . . . . . 131 LYS HG2 . 12032 1 575 . 1 1 45 45 LYS HG3 H 1 1.352 0.00 . . . . . . . 131 LYS HG3 . 12032 1 576 . 1 1 45 45 LYS C C 13 174.727 0.00 . . . . . . . 131 LYS C . 12032 1 577 . 1 1 45 45 LYS CA C 13 55.317 0.10 . . . . . . . 131 LYS CA . 12032 1 578 . 1 1 45 45 LYS CB C 13 37.185 0.00 . . . . . . . 131 LYS CB . 12032 1 579 . 1 1 45 45 LYS CD C 13 29.718 0.00 . . . . . . . 131 LYS CD . 12032 1 580 . 1 1 45 45 LYS CE C 13 41.563 0.00 . . . . . . . 131 LYS CE . 12032 1 581 . 1 1 45 45 LYS CG C 13 26.419 0.00 . . . . . . . 131 LYS CG . 12032 1 582 . 1 1 45 45 LYS N N 15 120.784 0.11 . . . . . . . 131 LYS N . 12032 1 583 . 1 1 46 46 ALA H H 1 10.496 0.02 . . . . . . . 132 ALA H . 12032 1 584 . 1 1 46 46 ALA HA H 1 5.512 0.01 . . . . . . . 132 ALA HA . 12032 1 585 . 1 1 46 46 ALA HB1 H 1 1.403 0.01 . . . . . . . 132 ALA HB* . 12032 1 586 . 1 1 46 46 ALA HB2 H 1 1.403 0.01 . . . . . . . 132 ALA HB* . 12032 1 587 . 1 1 46 46 ALA HB3 H 1 1.403 0.01 . . . . . . . 132 ALA HB* . 12032 1 588 . 1 1 46 46 ALA C C 13 173.351 0.00 . . . . . . . 132 ALA C . 12032 1 589 . 1 1 46 46 ALA CA C 13 51.558 0.07 . . . . . . . 132 ALA CA . 12032 1 590 . 1 1 46 46 ALA CB C 13 25.539 0.05 . . . . . . . 132 ALA CB . 12032 1 591 . 1 1 46 46 ALA N N 15 123.404 0.10 . . . . . . . 132 ALA N . 12032 1 592 . 1 1 47 47 ASN H H 1 8.748 0.01 . . . . . . . 133 ASN H . 12032 1 593 . 1 1 47 47 ASN HA H 1 5.807 0.01 . . . . . . . 133 ASN HA . 12032 1 594 . 1 1 47 47 ASN HB2 H 1 2.864 0.01 . . . . . . . 133 ASN HB2 . 12032 1 595 . 1 1 47 47 ASN HB3 H 1 2.710 0.03 . . . . . . . 133 ASN HB3 . 12032 1 596 . 1 1 47 47 ASN HD21 H 1 7.322 0.02 . . . . . . . 133 ASN HD21 . 12032 1 597 . 1 1 47 47 ASN HD22 H 1 7.312 0.00 . . . . . . . 133 ASN HD22 . 12032 1 598 . 1 1 47 47 ASN C C 13 174.869 0.00 . . . . . . . 133 ASN C . 12032 1 599 . 1 1 47 47 ASN CA C 13 51.101 0.08 . . . . . . . 133 ASN CA . 12032 1 600 . 1 1 47 47 ASN CB C 13 38.916 0.21 . . . . . . . 133 ASN CB . 12032 1 601 . 1 1 47 47 ASN CG C 13 185.503 0.00 . . . . . . . 133 ASN CG . 12032 1 602 . 1 1 47 47 ASN N N 15 117.922 0.14 . . . . . . . 133 ASN N . 12032 1 603 . 1 1 47 47 ASN ND2 N 15 110.129 0.00 . . . . . . . 133 ASN ND2 . 12032 1 604 . 1 1 48 48 PHE H H 1 9.071 0.01 . . . . . . . 134 PHE H . 12032 1 605 . 1 1 48 48 PHE HA H 1 5.334 0.01 . . . . . . . 134 PHE HA . 12032 1 606 . 1 1 48 48 PHE HB2 H 1 3.325 0.01 . . . . . . . 134 PHE HB* . 12032 1 607 . 1 1 48 48 PHE HB3 H 1 3.325 0.01 . . . . . . . 134 PHE HB* . 12032 1 608 . 1 1 48 48 PHE HD1 H 1 6.835 0.01 . . . . . . . 134 PHE HD* . 12032 1 609 . 1 1 48 48 PHE HD2 H 1 6.835 0.01 . . . . . . . 134 PHE HD* . 12032 1 610 . 1 1 48 48 PHE HE1 H 1 6.844 0.01 . . . . . . . 134 PHE HE* . 12032 1 611 . 1 1 48 48 PHE HE2 H 1 6.844 0.01 . . . . . . . 134 PHE HE* . 12032 1 612 . 1 1 48 48 PHE C C 13 171.923 0.00 . . . . . . . 134 PHE C . 12032 1 613 . 1 1 48 48 PHE CA C 13 56.379 0.09 . . . . . . . 134 PHE CA . 12032 1 614 . 1 1 48 48 PHE CB C 13 40.985 0.03 . . . . . . . 134 PHE CB . 12032 1 615 . 1 1 48 48 PHE CD1 C 13 132.810 0.12 . . . . . . . 134 PHE CD* . 12032 1 616 . 1 1 48 48 PHE CD2 C 13 132.810 0.12 . . . . . . . 134 PHE CD* . 12032 1 617 . 1 1 48 48 PHE CE1 C 13 130.371 0.18 . . . . . . . 134 PHE CE* . 12032 1 618 . 1 1 48 48 PHE CE2 C 13 130.371 0.18 . . . . . . . 134 PHE CE* . 12032 1 619 . 1 1 48 48 PHE N N 15 121.081 0.10 . . . . . . . 134 PHE N . 12032 1 620 . 1 1 49 49 SER H H 1 9.580 0.00 . . . . . . . 135 SER H . 12032 1 621 . 1 1 49 49 SER HA H 1 5.475 0.01 . . . . . . . 135 SER HA . 12032 1 622 . 1 1 49 49 SER HB2 H 1 4.693 0.01 . . . . . . . 135 SER HB* . 12032 1 623 . 1 1 49 49 SER HB3 H 1 4.693 0.01 . . . . . . . 135 SER HB* . 12032 1 624 . 1 1 49 49 SER C C 13 175.038 0.00 . . . . . . . 135 SER C . 12032 1 625 . 1 1 49 49 SER CA C 13 56.204 0.12 . . . . . . . 135 SER CA . 12032 1 626 . 1 1 49 49 SER CB C 13 66.374 0.00 . . . . . . . 135 SER CB . 12032 1 627 . 1 1 49 49 SER N N 15 115.150 0.08 . . . . . . . 135 SER N . 12032 1 628 . 1 1 50 50 VAL H H 1 8.703 0.01 . . . . . . . 136 VAL H . 12032 1 629 . 1 1 50 50 VAL HA H 1 4.887 0.02 . . . . . . . 136 VAL HA . 12032 1 630 . 1 1 50 50 VAL HB H 1 1.548 0.01 . . . . . . . 136 VAL HB . 12032 1 631 . 1 1 50 50 VAL HG11 H 1 0.414 0.01 . . . . . . . 136 VAL HG1* . 12032 1 632 . 1 1 50 50 VAL HG12 H 1 0.414 0.01 . . . . . . . 136 VAL HG1* . 12032 1 633 . 1 1 50 50 VAL HG13 H 1 0.414 0.01 . . . . . . . 136 VAL HG1* . 12032 1 634 . 1 1 50 50 VAL HG21 H 1 0.397 0.01 . . . . . . . 136 VAL HG2* . 12032 1 635 . 1 1 50 50 VAL HG22 H 1 0.397 0.01 . . . . . . . 136 VAL HG2* . 12032 1 636 . 1 1 50 50 VAL HG23 H 1 0.397 0.01 . . . . . . . 136 VAL HG2* . 12032 1 637 . 1 1 50 50 VAL C C 13 174.781 0.00 . . . . . . . 136 VAL C . 12032 1 638 . 1 1 50 50 VAL CA C 13 60.212 0.07 . . . . . . . 136 VAL CA . 12032 1 639 . 1 1 50 50 VAL CB C 13 36.080 0.03 . . . . . . . 136 VAL CB . 12032 1 640 . 1 1 50 50 VAL CG1 C 13 20.579 0.02 . . . . . . . 136 VAL CG1 . 12032 1 641 . 1 1 50 50 VAL CG2 C 13 21.670 0.03 . . . . . . . 136 VAL CG2 . 12032 1 642 . 1 1 50 50 VAL N N 15 118.739 0.14 . . . . . . . 136 VAL N . 12032 1 643 . 1 1 51 51 ILE H H 1 8.747 0.01 . . . . . . . 137 ILE H . 12032 1 644 . 1 1 51 51 ILE HA H 1 4.245 0.01 . . . . . . . 137 ILE HA . 12032 1 645 . 1 1 51 51 ILE HB H 1 1.538 0.01 . . . . . . . 137 ILE HB . 12032 1 646 . 1 1 51 51 ILE HD11 H 1 0.741 0.01 . . . . . . . 137 ILE HD1 . 12032 1 647 . 1 1 51 51 ILE HD12 H 1 0.741 0.01 . . . . . . . 137 ILE HD1 . 12032 1 648 . 1 1 51 51 ILE HD13 H 1 0.741 0.01 . . . . . . . 137 ILE HD1 . 12032 1 649 . 1 1 51 51 ILE HG12 H 1 1.169 0.01 . . . . . . . 137 ILE HG1* . 12032 1 650 . 1 1 51 51 ILE HG13 H 1 1.169 0.01 . . . . . . . 137 ILE HG1* . 12032 1 651 . 1 1 51 51 ILE C C 13 174.791 0.00 . . . . . . . 137 ILE C . 12032 1 652 . 1 1 51 51 ILE CA C 13 59.978 0.06 . . . . . . . 137 ILE CA . 12032 1 653 . 1 1 51 51 ILE CB C 13 40.820 0.03 . . . . . . . 137 ILE CB . 12032 1 654 . 1 1 51 51 ILE CD1 C 13 13.664 0.07 . . . . . . . 137 ILE CD1 . 12032 1 655 . 1 1 51 51 ILE CG1 C 13 27.798 0.03 . . . . . . . 137 ILE CG1 . 12032 1 656 . 1 1 51 51 ILE CG2 C 13 16.800 0.00 . . . . . . . 137 ILE CG2 . 12032 1 657 . 1 1 51 51 ILE N N 15 123.290 0.11 . . . . . . . 137 ILE N . 12032 1 658 . 1 1 52 52 PHE H H 1 8.759 0.00 . . . . . . . 138 PHE H . 12032 1 659 . 1 1 52 52 PHE HA H 1 4.249 0.00 . . . . . . . 138 PHE HA . 12032 1 660 . 1 1 52 52 PHE HB2 H 1 3.240 0.03 . . . . . . . 138 PHE HB* . 12032 1 661 . 1 1 52 52 PHE HB3 H 1 3.240 0.03 . . . . . . . 138 PHE HB* . 12032 1 662 . 1 1 52 52 PHE HD1 H 1 7.279 0.00 . . . . . . . 138 PHE HD* . 12032 1 663 . 1 1 52 52 PHE HD2 H 1 7.279 0.00 . . . . . . . 138 PHE HD* . 12032 1 664 . 1 1 52 52 PHE HE1 H 1 7.335 0.00 . . . . . . . 138 PHE HE* . 12032 1 665 . 1 1 52 52 PHE HE2 H 1 7.335 0.00 . . . . . . . 138 PHE HE* . 12032 1 666 . 1 1 52 52 PHE C C 13 175.446 0.00 . . . . . . . 138 PHE C . 12032 1 667 . 1 1 52 52 PHE CA C 13 61.216 0.00 . . . . . . . 138 PHE CA . 12032 1 668 . 1 1 52 52 PHE CB C 13 36.782 0.01 . . . . . . . 138 PHE CB . 12032 1 669 . 1 1 52 52 PHE CD1 C 13 132.002 0.02 . . . . . . . 138 PHE CD* . 12032 1 670 . 1 1 52 52 PHE CD2 C 13 132.002 0.02 . . . . . . . 138 PHE CD* . 12032 1 671 . 1 1 52 52 PHE N N 15 124.225 0.13 . . . . . . . 138 PHE N . 12032 1 672 . 1 1 53 53 ASP HA H 1 4.571 0.01 . . . . . . . 139 ASP HA . 12032 1 673 . 1 1 53 53 ASP HB2 H 1 2.861 0.01 . . . . . . . 139 ASP HB* . 12032 1 674 . 1 1 53 53 ASP HB3 H 1 2.861 0.01 . . . . . . . 139 ASP HB* . 12032 1 675 . 1 1 53 53 ASP C C 13 174.900 0.00 . . . . . . . 139 ASP C . 12032 1 676 . 1 1 53 53 ASP CB C 13 40.698 0.00 . . . . . . . 139 ASP CB . 12032 1 677 . 1 1 54 54 ARG H H 1 8.252 0.01 . . . . . . . 140 ARG H . 12032 1 678 . 1 1 54 54 ARG HA H 1 5.128 0.00 . . . . . . . 140 ARG HA . 12032 1 679 . 1 1 54 54 ARG HB2 H 1 1.946 0.01 . . . . . . . 140 ARG HB* . 12032 1 680 . 1 1 54 54 ARG HB3 H 1 1.946 0.01 . . . . . . . 140 ARG HB* . 12032 1 681 . 1 1 54 54 ARG CB C 13 33.794 0.03 . . . . . . . 140 ARG CB . 12032 1 682 . 1 1 54 54 ARG N N 15 118.092 0.09 . . . . . . . 140 ARG N . 12032 1 683 . 1 1 56 56 GLU H H 1 9.475 0.01 . . . . . . . 142 GLU H . 12032 1 684 . 1 1 56 56 GLU HA H 1 4.216 0.00 . . . . . . . 142 GLU HA . 12032 1 685 . 1 1 56 56 GLU HB2 H 1 1.732 0.01 . . . . . . . 142 GLU HB* . 12032 1 686 . 1 1 56 56 GLU HB3 H 1 1.732 0.01 . . . . . . . 142 GLU HB* . 12032 1 687 . 1 1 56 56 GLU HG2 H 1 2.152 0.01 . . . . . . . 142 GLU HG* . 12032 1 688 . 1 1 56 56 GLU HG3 H 1 2.152 0.01 . . . . . . . 142 GLU HG* . 12032 1 689 . 1 1 56 56 GLU N N 15 129.542 0.10 . . . . . . . 142 GLU N . 12032 1 690 . 1 1 58 58 LEU HA H 1 4.452 0.01 . . . . . . . 144 LEU HA . 12032 1 691 . 1 1 58 58 LEU HD11 H 1 0.602 0.01 . . . . . . . 144 LEU HD . 12032 1 692 . 1 1 58 58 LEU HD12 H 1 0.602 0.01 . . . . . . . 144 LEU HD . 12032 1 693 . 1 1 58 58 LEU HD13 H 1 0.602 0.01 . . . . . . . 144 LEU HD . 12032 1 694 . 1 1 58 58 LEU HD21 H 1 0.602 0.01 . . . . . . . 144 LEU HD . 12032 1 695 . 1 1 58 58 LEU HD22 H 1 0.602 0.01 . . . . . . . 144 LEU HD . 12032 1 696 . 1 1 58 58 LEU HD23 H 1 0.602 0.01 . . . . . . . 144 LEU HD . 12032 1 697 . 1 1 58 58 LEU HG H 1 1.772 0.01 . . . . . . . 144 LEU HG . 12032 1 698 . 1 1 58 58 LEU C C 13 175.062 0.00 . . . . . . . 144 LEU C . 12032 1 699 . 1 1 58 58 LEU CA C 13 55.445 0.06 . . . . . . . 144 LEU CA . 12032 1 700 . 1 1 58 58 LEU CB C 13 43.977 0.00 . . . . . . . 144 LEU CB . 12032 1 701 . 1 1 58 58 LEU CD1 C 13 25.773 0.09 . . . . . . . 144 LEU CD1 . 12032 1 702 . 1 1 58 58 LEU CD2 C 13 26.050 0.00 . . . . . . . 144 LEU CD2 . 12032 1 703 . 1 1 58 58 LEU CG C 13 29.386 0.00 . . . . . . . 144 LEU CG . 12032 1 704 . 1 1 59 59 ILE H H 1 8.574 0.01 . . . . . . . 145 ILE H . 12032 1 705 . 1 1 59 59 ILE HA H 1 4.183 0.01 . . . . . . . 145 ILE HA . 12032 1 706 . 1 1 59 59 ILE HB H 1 1.774 0.01 . . . . . . . 145 ILE HB . 12032 1 707 . 1 1 59 59 ILE HD11 H 1 0.842 0.02 . . . . . . . 145 ILE HD1* . 12032 1 708 . 1 1 59 59 ILE HD12 H 1 0.842 0.02 . . . . . . . 145 ILE HD1* . 12032 1 709 . 1 1 59 59 ILE HD13 H 1 0.842 0.02 . . . . . . . 145 ILE HD1* . 12032 1 710 . 1 1 59 59 ILE HG12 H 1 1.313 0.02 . . . . . . . 145 ILE HG12 . 12032 1 711 . 1 1 59 59 ILE HG13 H 1 1.606 0.02 . . . . . . . 145 ILE HG13 . 12032 1 712 . 1 1 59 59 ILE HG21 H 1 0.937 0.02 . . . . . . . 145 ILE HG2* . 12032 1 713 . 1 1 59 59 ILE HG22 H 1 0.937 0.02 . . . . . . . 145 ILE HG2* . 12032 1 714 . 1 1 59 59 ILE HG23 H 1 0.937 0.02 . . . . . . . 145 ILE HG2* . 12032 1 715 . 1 1 59 59 ILE C C 13 175.642 0.00 . . . . . . . 145 ILE C . 12032 1 716 . 1 1 59 59 ILE CA C 13 63.189 0.11 . . . . . . . 145 ILE CA . 12032 1 717 . 1 1 59 59 ILE CB C 13 37.695 0.05 . . . . . . . 145 ILE CB . 12032 1 718 . 1 1 59 59 ILE CD1 C 13 12.512 0.12 . . . . . . . 145 ILE CD1 . 12032 1 719 . 1 1 59 59 ILE CG1 C 13 28.517 0.05 . . . . . . . 145 ILE CG1 . 12032 1 720 . 1 1 59 59 ILE CG2 C 13 17.551 0.06 . . . . . . . 145 ILE CG2 . 12032 1 721 . 1 1 59 59 ILE N N 15 127.380 0.12 . . . . . . . 145 ILE N . 12032 1 722 . 1 1 60 60 LEU H H 1 7.769 0.01 . . . . . . . 146 LEU H . 12032 1 723 . 1 1 60 60 LEU HA H 1 4.523 0.01 . . . . . . . 146 LEU HA . 12032 1 724 . 1 1 60 60 LEU HB2 H 1 1.515 0.02 . . . . . . . 146 LEU HB* . 12032 1 725 . 1 1 60 60 LEU HB3 H 1 1.515 0.02 . . . . . . . 146 LEU HB* . 12032 1 726 . 1 1 60 60 LEU HG H 1 1.239 0.02 . . . . . . . 146 LEU HG . 12032 1 727 . 1 1 60 60 LEU C C 13 173.116 0.00 . . . . . . . 146 LEU C . 12032 1 728 . 1 1 60 60 LEU CA C 13 55.555 0.09 . . . . . . . 146 LEU CA . 12032 1 729 . 1 1 60 60 LEU CB C 13 46.552 0.02 . . . . . . . 146 LEU CB . 12032 1 730 . 1 1 60 60 LEU CD1 C 13 24.440 0.00 . . . . . . . 146 LEU CD1 . 12032 1 731 . 1 1 60 60 LEU CD2 C 13 24.440 0.00 . . . . . . . 146 LEU CD2 . 12032 1 732 . 1 1 60 60 LEU CG C 13 26.305 0.00 . . . . . . . 146 LEU CG . 12032 1 733 . 1 1 60 60 LEU N N 15 114.515 0.12 . . . . . . . 146 LEU N . 12032 1 734 . 1 1 61 61 LEU H H 1 8.469 0.00 . . . . . . . 147 LEU H . 12032 1 735 . 1 1 61 61 LEU HA H 1 5.511 0.02 . . . . . . . 147 LEU HA . 12032 1 736 . 1 1 61 61 LEU HB2 H 1 1.655 0.02 . . . . . . . 147 LEU HB2 . 12032 1 737 . 1 1 61 61 LEU HB3 H 1 1.647 0.02 . . . . . . . 147 LEU HB3 . 12032 1 738 . 1 1 61 61 LEU HD11 H 1 0.592 0.01 . . . . . . . 147 LEU HD1* . 12032 1 739 . 1 1 61 61 LEU HD12 H 1 0.592 0.01 . . . . . . . 147 LEU HD1* . 12032 1 740 . 1 1 61 61 LEU HD13 H 1 0.592 0.01 . . . . . . . 147 LEU HD1* . 12032 1 741 . 1 1 61 61 LEU HD21 H 1 0.570 0.01 . . . . . . . 147 LEU HD2* . 12032 1 742 . 1 1 61 61 LEU HD22 H 1 0.570 0.01 . . . . . . . 147 LEU HD2* . 12032 1 743 . 1 1 61 61 LEU HD23 H 1 0.570 0.01 . . . . . . . 147 LEU HD2* . 12032 1 744 . 1 1 61 61 LEU HG H 1 0.723 0.01 . . . . . . . 147 LEU HG . 12032 1 745 . 1 1 61 61 LEU C C 13 175.918 0.00 . . . . . . . 147 LEU C . 12032 1 746 . 1 1 61 61 LEU CA C 13 54.302 0.04 . . . . . . . 147 LEU CA . 12032 1 747 . 1 1 61 61 LEU CB C 13 46.630 0.01 . . . . . . . 147 LEU CB . 12032 1 748 . 1 1 61 61 LEU CD1 C 13 23.875 0.00 . . . . . . . 147 LEU CD1 . 12032 1 749 . 1 1 61 61 LEU CD2 C 13 24.088 0.06 . . . . . . . 147 LEU CD2 . 12032 1 750 . 1 1 61 61 LEU CG C 13 29.080 0.06 . . . . . . . 147 LEU CG . 12032 1 751 . 1 1 61 61 LEU N N 15 127.733 0.12 . . . . . . . 147 LEU N . 12032 1 752 . 1 1 62 62 ARG H H 1 9.480 0.01 . . . . . . . 148 ARG H . 12032 1 753 . 1 1 62 62 ARG HA H 1 4.857 0.01 . . . . . . . 148 ARG HA . 12032 1 754 . 1 1 62 62 ARG HB2 H 1 1.951 0.02 . . . . . . . 148 ARG HB* . 12032 1 755 . 1 1 62 62 ARG HB3 H 1 1.951 0.02 . . . . . . . 148 ARG HB* . 12032 1 756 . 1 1 62 62 ARG C C 13 171.675 0.00 . . . . . . . 148 ARG C . 12032 1 757 . 1 1 62 62 ARG CA C 13 55.689 0.11 . . . . . . . 148 ARG CA . 12032 1 758 . 1 1 62 62 ARG CB C 13 37.447 0.08 . . . . . . . 148 ARG CB . 12032 1 759 . 1 1 62 62 ARG CD C 13 43.695 0.00 . . . . . . . 148 ARG CD . 12032 1 760 . 1 1 62 62 ARG N N 15 125.339 0.08 . . . . . . . 148 ARG N . 12032 1 761 . 1 1 63 63 ALA H H 1 7.758 0.01 . . . . . . . 149 ALA H . 12032 1 762 . 1 1 63 63 ALA HA H 1 5.045 0.01 . . . . . . . 149 ALA HA . 12032 1 763 . 1 1 63 63 ALA HB1 H 1 0.784 0.01 . . . . . . . 149 ALA HB* . 12032 1 764 . 1 1 63 63 ALA HB2 H 1 0.784 0.01 . . . . . . . 149 ALA HB* . 12032 1 765 . 1 1 63 63 ALA HB3 H 1 0.784 0.01 . . . . . . . 149 ALA HB* . 12032 1 766 . 1 1 63 63 ALA C C 13 174.907 0.00 . . . . . . . 149 ALA C . 12032 1 767 . 1 1 63 63 ALA CA C 13 49.175 0.09 . . . . . . . 149 ALA CA . 12032 1 768 . 1 1 63 63 ALA CB C 13 20.463 0.03 . . . . . . . 149 ALA CB . 12032 1 769 . 1 1 63 63 ALA N N 15 124.104 0.09 . . . . . . . 149 ALA N . 12032 1 770 . 1 1 64 64 PHE H H 1 9.170 0.01 . . . . . . . 150 PHE H . 12032 1 771 . 1 1 64 64 PHE HA H 1 5.669 0.01 . . . . . . . 150 PHE HA . 12032 1 772 . 1 1 64 64 PHE HB2 H 1 2.962 0.02 . . . . . . . 150 PHE HB2 . 12032 1 773 . 1 1 64 64 PHE HB3 H 1 2.862 0.02 . . . . . . . 150 PHE HB3 . 12032 1 774 . 1 1 64 64 PHE HD1 H 1 7.078 0.02 . . . . . . . 150 PHE HD* . 12032 1 775 . 1 1 64 64 PHE HD2 H 1 7.078 0.02 . . . . . . . 150 PHE HD* . 12032 1 776 . 1 1 64 64 PHE C C 13 177.419 0.00 . . . . . . . 150 PHE C . 12032 1 777 . 1 1 64 64 PHE CA C 13 56.046 0.08 . . . . . . . 150 PHE CA . 12032 1 778 . 1 1 64 64 PHE CB C 13 43.073 0.10 . . . . . . . 150 PHE CB . 12032 1 779 . 1 1 64 64 PHE N N 15 121.747 0.12 . . . . . . . 150 PHE N . 12032 1 780 . 1 1 65 65 THR H H 1 9.450 0.01 . . . . . . . 151 THR H . 12032 1 781 . 1 1 65 65 THR HA H 1 4.989 0.02 . . . . . . . 151 THR HA . 12032 1 782 . 1 1 65 65 THR HG21 H 1 1.267 0.01 . . . . . . . 151 THR HG2* . 12032 1 783 . 1 1 65 65 THR HG22 H 1 1.267 0.01 . . . . . . . 151 THR HG2* . 12032 1 784 . 1 1 65 65 THR HG23 H 1 1.267 0.01 . . . . . . . 151 THR HG2* . 12032 1 785 . 1 1 65 65 THR C C 13 178.068 0.00 . . . . . . . 151 THR C . 12032 1 786 . 1 1 65 65 THR CA C 13 60.895 0.07 . . . . . . . 151 THR CA . 12032 1 787 . 1 1 65 65 THR CB C 13 71.248 0.00 . . . . . . . 151 THR CB . 12032 1 788 . 1 1 65 65 THR CG2 C 13 22.951 0.15 . . . . . . . 151 THR CG2 . 12032 1 789 . 1 1 65 65 THR N N 15 111.678 0.07 . . . . . . . 151 THR N . 12032 1 790 . 1 1 66 66 GLU H H 1 9.199 0.01 . . . . . . . 152 GLU H . 12032 1 791 . 1 1 66 66 GLU HA H 1 4.092 0.01 . . . . . . . 152 GLU HA . 12032 1 792 . 1 1 66 66 GLU HB2 H 1 2.165 0.01 . . . . . . . 152 GLU HB2 . 12032 1 793 . 1 1 66 66 GLU HB3 H 1 2.175 0.00 . . . . . . . 152 GLU HB3 . 12032 1 794 . 1 1 66 66 GLU HG2 H 1 2.341 0.02 . . . . . . . 152 GLU HG2 . 12032 1 795 . 1 1 66 66 GLU HG3 H 1 2.475 0.01 . . . . . . . 152 GLU HG3 . 12032 1 796 . 1 1 66 66 GLU C C 13 177.583 0.00 . . . . . . . 152 GLU C . 12032 1 797 . 1 1 66 66 GLU CA C 13 59.426 0.12 . . . . . . . 152 GLU CA . 12032 1 798 . 1 1 66 66 GLU CB C 13 29.564 0.06 . . . . . . . 152 GLU CB . 12032 1 799 . 1 1 66 66 GLU CD C 13 189.718 0.00 . . . . . . . 152 GLU CD . 12032 1 800 . 1 1 66 66 GLU CG C 13 37.087 0.10 . . . . . . . 152 GLU CG . 12032 1 801 . 1 1 66 66 GLU N N 15 122.973 0.08 . . . . . . . 152 GLU N . 12032 1 802 . 1 1 67 67 GLU H H 1 8.153 0.01 . . . . . . . 153 GLU H . 12032 1 803 . 1 1 67 67 GLU HA H 1 4.389 0.01 . . . . . . . 153 GLU HA . 12032 1 804 . 1 1 67 67 GLU HB2 H 1 1.992 0.02 . . . . . . . 153 GLU HB2 . 12032 1 805 . 1 1 67 67 GLU HB3 H 1 2.006 0.01 . . . . . . . 153 GLU HB3 . 12032 1 806 . 1 1 67 67 GLU HG2 H 1 2.484 0.02 . . . . . . . 153 GLU HG2 . 12032 1 807 . 1 1 67 67 GLU HG3 H 1 2.262 0.02 . . . . . . . 153 GLU HG3 . 12032 1 808 . 1 1 67 67 GLU C C 13 177.004 0.00 . . . . . . . 153 GLU C . 12032 1 809 . 1 1 67 67 GLU CA C 13 57.354 0.10 . . . . . . . 153 GLU CA . 12032 1 810 . 1 1 67 67 GLU CB C 13 29.474 0.01 . . . . . . . 153 GLU CB . 12032 1 811 . 1 1 67 67 GLU CD C 13 191.450 0.00 . . . . . . . 153 GLU CD . 12032 1 812 . 1 1 67 67 GLU CG C 13 37.268 0.07 . . . . . . . 153 GLU CG . 12032 1 813 . 1 1 67 67 GLU N N 15 115.782 0.11 . . . . . . . 153 GLU N . 12032 1 814 . 1 1 68 68 GLY H H 1 8.159 0.01 . . . . . . . 154 GLY H . 12032 1 815 . 1 1 68 68 GLY HA2 H 1 3.711 0.01 . . . . . . . 154 GLY HA2 . 12032 1 816 . 1 1 68 68 GLY HA3 H 1 4.427 0.01 . . . . . . . 154 GLY HA3 . 12032 1 817 . 1 1 68 68 GLY C C 13 173.704 0.00 . . . . . . . 154 GLY C . 12032 1 818 . 1 1 68 68 GLY CA C 13 45.310 0.07 . . . . . . . 154 GLY CA . 12032 1 819 . 1 1 68 68 GLY N N 15 107.975 0.11 . . . . . . . 154 GLY N . 12032 1 820 . 1 1 69 69 ALA H H 1 7.397 0.01 . . . . . . . 155 ALA H . 12032 1 821 . 1 1 69 69 ALA HA H 1 4.477 0.01 . . . . . . . 155 ALA HA . 12032 1 822 . 1 1 69 69 ALA HB1 H 1 1.396 0.01 . . . . . . . 155 ALA HB* . 12032 1 823 . 1 1 69 69 ALA HB2 H 1 1.396 0.01 . . . . . . . 155 ALA HB* . 12032 1 824 . 1 1 69 69 ALA HB3 H 1 1.396 0.01 . . . . . . . 155 ALA HB* . 12032 1 825 . 1 1 69 69 ALA C C 13 176.806 0.00 . . . . . . . 155 ALA C . 12032 1 826 . 1 1 69 69 ALA CA C 13 51.732 0.14 . . . . . . . 155 ALA CA . 12032 1 827 . 1 1 69 69 ALA CB C 13 19.361 0.05 . . . . . . . 155 ALA CB . 12032 1 828 . 1 1 69 69 ALA N N 15 122.796 0.09 . . . . . . . 155 ALA N . 12032 1 829 . 1 1 70 70 ILE H H 1 8.188 0.01 . . . . . . . 156 ILE H . 12032 1 830 . 1 1 70 70 ILE HA H 1 4.047 0.01 . . . . . . . 156 ILE HA . 12032 1 831 . 1 1 70 70 ILE HB H 1 1.010 0.01 . . . . . . . 156 ILE HB . 12032 1 832 . 1 1 70 70 ILE HD11 H 1 0.715 0.01 . . . . . . . 156 ILE HD1* . 12032 1 833 . 1 1 70 70 ILE HD12 H 1 0.715 0.01 . . . . . . . 156 ILE HD1* . 12032 1 834 . 1 1 70 70 ILE HD13 H 1 0.715 0.01 . . . . . . . 156 ILE HD1* . 12032 1 835 . 1 1 70 70 ILE HG12 H 1 0.003 0.01 . . . . . . . 156 ILE HG12 . 12032 1 836 . 1 1 70 70 ILE HG13 H 1 0.015 0.01 . . . . . . . 156 ILE HG13 . 12032 1 837 . 1 1 70 70 ILE HG21 H 1 -0.721 0.06 . . . . . . . 156 ILE HG2* . 12032 1 838 . 1 1 70 70 ILE HG22 H 1 -0.721 0.06 . . . . . . . 156 ILE HG2* . 12032 1 839 . 1 1 70 70 ILE HG23 H 1 -0.721 0.06 . . . . . . . 156 ILE HG2* . 12032 1 840 . 1 1 70 70 ILE C C 13 176.448 0.00 . . . . . . . 156 ILE C . 12032 1 841 . 1 1 70 70 ILE CA C 13 61.227 0.06 . . . . . . . 156 ILE CA . 12032 1 842 . 1 1 70 70 ILE CB C 13 38.059 0.05 . . . . . . . 156 ILE CB . 12032 1 843 . 1 1 70 70 ILE CD1 C 13 15.474 0.03 . . . . . . . 156 ILE CD1 . 12032 1 844 . 1 1 70 70 ILE CG1 C 13 29.659 0.03 . . . . . . . 156 ILE CG1 . 12032 1 845 . 1 1 70 70 ILE CG2 C 13 16.744 0.02 . . . . . . . 156 ILE CG2 . 12032 1 846 . 1 1 70 70 ILE N N 15 122.727 0.08 . . . . . . . 156 ILE N . 12032 1 847 . 1 1 71 71 VAL H H 1 8.151 0.01 . . . . . . . 157 VAL H . 12032 1 848 . 1 1 71 71 VAL HA H 1 4.821 0.02 . . . . . . . 157 VAL HA . 12032 1 849 . 1 1 71 71 VAL HB H 1 2.452 0.01 . . . . . . . 157 VAL HB . 12032 1 850 . 1 1 71 71 VAL HG11 H 1 0.849 0.01 . . . . . . . 157 VAL HG1* . 12032 1 851 . 1 1 71 71 VAL HG12 H 1 0.849 0.01 . . . . . . . 157 VAL HG1* . 12032 1 852 . 1 1 71 71 VAL HG13 H 1 0.849 0.01 . . . . . . . 157 VAL HG1* . 12032 1 853 . 1 1 71 71 VAL HG21 H 1 0.506 0.01 . . . . . . . 157 VAL HG2* . 12032 1 854 . 1 1 71 71 VAL HG22 H 1 0.506 0.01 . . . . . . . 157 VAL HG2* . 12032 1 855 . 1 1 71 71 VAL HG23 H 1 0.506 0.01 . . . . . . . 157 VAL HG2* . 12032 1 856 . 1 1 71 71 VAL C C 13 174.249 0.00 . . . . . . . 157 VAL C . 12032 1 857 . 1 1 71 71 VAL CA C 13 59.986 0.12 . . . . . . . 157 VAL CA . 12032 1 858 . 1 1 71 71 VAL CB C 13 33.964 0.06 . . . . . . . 157 VAL CB . 12032 1 859 . 1 1 71 71 VAL CG1 C 13 22.900 0.16 . . . . . . . 157 VAL CG1 . 12032 1 860 . 1 1 71 71 VAL CG2 C 13 18.691 0.03 . . . . . . . 157 VAL CG2 . 12032 1 861 . 1 1 71 71 VAL N N 15 114.589 0.09 . . . . . . . 157 VAL N . 12032 1 862 . 1 1 72 72 GLY H H 1 6.742 0.01 . . . . . . . 158 GLY H . 12032 1 863 . 1 1 72 72 GLY HA2 H 1 3.532 0.01 . . . . . . . 158 GLY HA2 . 12032 1 864 . 1 1 72 72 GLY HA3 H 1 4.702 0.01 . . . . . . . 158 GLY HA3 . 12032 1 865 . 1 1 72 72 GLY C C 13 170.918 0.00 . . . . . . . 158 GLY C . 12032 1 866 . 1 1 72 72 GLY CA C 13 45.620 0.07 . . . . . . . 158 GLY CA . 12032 1 867 . 1 1 72 72 GLY N N 15 106.014 0.07 . . . . . . . 158 GLY N . 12032 1 868 . 1 1 73 73 GLU H H 1 9.426 0.01 . . . . . . . 159 GLU H . 12032 1 869 . 1 1 73 73 GLU HA H 1 5.222 0.01 . . . . . . . 159 GLU HA . 12032 1 870 . 1 1 73 73 GLU HB2 H 1 2.138 0.02 . . . . . . . 159 GLU HB2 . 12032 1 871 . 1 1 73 73 GLU HB3 H 1 2.147 0.03 . . . . . . . 159 GLU HB3 . 12032 1 872 . 1 1 73 73 GLU HG2 H 1 2.378 0.01 . . . . . . . 159 GLU HG2 . 12032 1 873 . 1 1 73 73 GLU HG3 H 1 2.393 0.00 . . . . . . . 159 GLU HG3 . 12032 1 874 . 1 1 73 73 GLU C C 13 174.167 0.00 . . . . . . . 159 GLU C . 12032 1 875 . 1 1 73 73 GLU CA C 13 55.500 0.13 . . . . . . . 159 GLU CA . 12032 1 876 . 1 1 73 73 GLU CB C 13 37.166 0.12 . . . . . . . 159 GLU CB . 12032 1 877 . 1 1 73 73 GLU CD C 13 189.808 0.00 . . . . . . . 159 GLU CD . 12032 1 878 . 1 1 73 73 GLU CG C 13 38.697 0.05 . . . . . . . 159 GLU CG . 12032 1 879 . 1 1 73 73 GLU N N 15 120.794 0.09 . . . . . . . 159 GLU N . 12032 1 880 . 1 1 74 74 ILE H H 1 9.044 0.01 . . . . . . . 160 ILE H . 12032 1 881 . 1 1 74 74 ILE HA H 1 5.368 0.01 . . . . . . . 160 ILE HA . 12032 1 882 . 1 1 74 74 ILE HB H 1 1.604 0.02 . . . . . . . 160 ILE HB . 12032 1 883 . 1 1 74 74 ILE HD11 H 1 0.749 0.02 . . . . . . . 160 ILE HD1* . 12032 1 884 . 1 1 74 74 ILE HD12 H 1 0.749 0.02 . . . . . . . 160 ILE HD1* . 12032 1 885 . 1 1 74 74 ILE HD13 H 1 0.749 0.02 . . . . . . . 160 ILE HD1* . 12032 1 886 . 1 1 74 74 ILE HG21 H 1 0.668 0.01 . . . . . . . 160 ILE HG2* . 12032 1 887 . 1 1 74 74 ILE HG22 H 1 0.668 0.01 . . . . . . . 160 ILE HG2* . 12032 1 888 . 1 1 74 74 ILE HG23 H 1 0.668 0.01 . . . . . . . 160 ILE HG2* . 12032 1 889 . 1 1 74 74 ILE C C 13 174.118 0.00 . . . . . . . 160 ILE C . 12032 1 890 . 1 1 74 74 ILE CA C 13 60.759 0.06 . . . . . . . 160 ILE CA . 12032 1 891 . 1 1 74 74 ILE CB C 13 40.949 0.02 . . . . . . . 160 ILE CB . 12032 1 892 . 1 1 74 74 ILE CD1 C 13 14.290 0.03 . . . . . . . 160 ILE CD1 . 12032 1 893 . 1 1 74 74 ILE CG1 C 13 27.422 0.00 . . . . . . . 160 ILE CG1 . 12032 1 894 . 1 1 74 74 ILE CG2 C 13 18.717 0.05 . . . . . . . 160 ILE CG2 . 12032 1 895 . 1 1 74 74 ILE N N 15 124.053 0.10 . . . . . . . 160 ILE N . 12032 1 896 . 1 1 75 75 SER H H 1 8.970 0.01 . . . . . . . 161 SER H . 12032 1 897 . 1 1 75 75 SER HA H 1 5.209 0.02 . . . . . . . 161 SER HA . 12032 1 898 . 1 1 75 75 SER CA C 13 54.211 0.00 . . . . . . . 161 SER CA . 12032 1 899 . 1 1 75 75 SER CB C 13 65.390 0.00 . . . . . . . 161 SER CB . 12032 1 900 . 1 1 75 75 SER N N 15 119.603 0.06 . . . . . . . 161 SER N . 12032 1 901 . 1 1 76 76 PRO HA H 1 4.888 0.02 . . . . . . . 162 PRO HA . 12032 1 902 . 1 1 76 76 PRO HB2 H 1 2.372 0.00 . . . . . . . 162 PRO HB2 . 12032 1 903 . 1 1 76 76 PRO HB3 H 1 2.361 0.01 . . . . . . . 162 PRO HB3 . 12032 1 904 . 1 1 76 76 PRO HD2 H 1 3.469 0.00 . . . . . . . 162 PRO HD2 . 12032 1 905 . 1 1 76 76 PRO HD3 H 1 3.453 0.00 . . . . . . . 162 PRO HD3 . 12032 1 906 . 1 1 76 76 PRO HG2 H 1 2.104 0.03 . . . . . . . 162 PRO HG2 . 12032 1 907 . 1 1 76 76 PRO HG3 H 1 2.074 0.01 . . . . . . . 162 PRO HG3 . 12032 1 908 . 1 1 76 76 PRO C C 13 177.061 0.00 . . . . . . . 162 PRO C . 12032 1 909 . 1 1 76 76 PRO CA C 13 62.984 0.14 . . . . . . . 162 PRO CA . 12032 1 910 . 1 1 77 77 LEU H H 1 8.403 0.01 . . . . . . . 163 LEU H . 12032 1 911 . 1 1 77 77 LEU N N 15 125.315 0.11 . . . . . . . 163 LEU N . 12032 1 912 . 1 1 78 78 PRO HA H 1 4.721 0.01 . . . . . . . 164 PRO HA . 12032 1 913 . 1 1 78 78 PRO HB2 H 1 2.107 0.00 . . . . . . . 164 PRO HB2 . 12032 1 914 . 1 1 78 78 PRO HB3 H 1 2.111 0.00 . . . . . . . 164 PRO HB3 . 12032 1 915 . 1 1 78 78 PRO HD2 H 1 3.726 0.00 . . . . . . . 164 PRO HD2 . 12032 1 916 . 1 1 78 78 PRO HD3 H 1 3.726 0.00 . . . . . . . 164 PRO HD3 . 12032 1 917 . 1 1 78 78 PRO C C 13 176.029 0.00 . . . . . . . 164 PRO C . 12032 1 918 . 1 1 78 78 PRO CA C 13 63.199 0.10 . . . . . . . 164 PRO CA . 12032 1 919 . 1 1 78 78 PRO CB C 13 30.357 0.00 . . . . . . . 164 PRO CB . 12032 1 920 . 1 1 78 78 PRO CD C 13 49.969 0.00 . . . . . . . 164 PRO CD . 12032 1 921 . 1 1 78 78 PRO CG C 13 26.983 0.00 . . . . . . . 164 PRO CG . 12032 1 922 . 1 1 79 79 SER H H 1 7.637 0.00 . . . . . . . 165 SER H . 12032 1 923 . 1 1 79 79 SER HA H 1 4.435 0.00 . . . . . . . 165 SER HA . 12032 1 924 . 1 1 79 79 SER HB2 H 1 3.802 0.02 . . . . . . . 165 SER HB2 . 12032 1 925 . 1 1 79 79 SER HB3 H 1 3.780 0.01 . . . . . . . 165 SER HB3 . 12032 1 926 . 1 1 79 79 SER C C 13 172.820 0.00 . . . . . . . 165 SER C . 12032 1 927 . 1 1 79 79 SER CA C 13 57.543 0.00 . . . . . . . 165 SER CA . 12032 1 928 . 1 1 79 79 SER CB C 13 64.902 0.10 . . . . . . . 165 SER CB . 12032 1 929 . 1 1 79 79 SER N N 15 115.806 0.04 . . . . . . . 165 SER N . 12032 1 930 . 1 1 80 80 LEU H H 1 8.281 0.01 . . . . . . . 166 LEU H . 12032 1 931 . 1 1 80 80 LEU HA H 1 4.468 0.00 . . . . . . . 166 LEU HA . 12032 1 932 . 1 1 80 80 LEU N N 15 122.546 0.02 . . . . . . . 166 LEU N . 12032 1 933 . 1 1 81 81 PRO HA H 1 4.459 0.01 . . . . . . . 167 PRO HA . 12032 1 934 . 1 1 81 81 PRO HB2 H 1 2.332 0.02 . . . . . . . 167 PRO HB2 . 12032 1 935 . 1 1 81 81 PRO HB3 H 1 2.341 0.00 . . . . . . . 167 PRO HB3 . 12032 1 936 . 1 1 81 81 PRO HD2 H 1 3.691 0.01 . . . . . . . 167 PRO HD2 . 12032 1 937 . 1 1 81 81 PRO HD3 H 1 3.620 0.02 . . . . . . . 167 PRO HD3 . 12032 1 938 . 1 1 81 81 PRO HG2 H 1 2.021 0.01 . . . . . . . 167 PRO HG2 . 12032 1 939 . 1 1 81 81 PRO HG3 H 1 1.982 0.01 . . . . . . . 167 PRO HG3 . 12032 1 940 . 1 1 81 81 PRO C C 13 177.224 0.00 . . . . . . . 167 PRO C . 12032 1 941 . 1 1 81 81 PRO CA C 13 63.683 0.12 . . . . . . . 167 PRO CA . 12032 1 942 . 1 1 81 81 PRO CB C 13 32.089 0.03 . . . . . . . 167 PRO CB . 12032 1 943 . 1 1 81 81 PRO CD C 13 50.493 0.02 . . . . . . . 167 PRO CD . 12032 1 944 . 1 1 81 81 PRO CG C 13 27.421 0.04 . . . . . . . 167 PRO CG . 12032 1 945 . 1 1 82 82 GLY H H 1 8.365 0.00 . . . . . . . 168 GLY H . 12032 1 946 . 1 1 82 82 GLY HA2 H 1 3.874 0.01 . . . . . . . 168 GLY HA2 . 12032 1 947 . 1 1 82 82 GLY HA3 H 1 3.924 0.01 . . . . . . . 168 GLY HA3 . 12032 1 948 . 1 1 82 82 GLY C C 13 173.647 0.00 . . . . . . . 168 GLY C . 12032 1 949 . 1 1 82 82 GLY CA C 13 45.742 0.12 . . . . . . . 168 GLY CA . 12032 1 950 . 1 1 82 82 GLY N N 15 107.616 0.03 . . . . . . . 168 GLY N . 12032 1 951 . 1 1 83 83 HIS H H 1 7.695 0.01 . . . . . . . 169 HIS H . 12032 1 952 . 1 1 83 83 HIS HA H 1 5.014 0.01 . . . . . . . 169 HIS HA . 12032 1 953 . 1 1 83 83 HIS HB2 H 1 3.468 0.01 . . . . . . . 169 HIS HB2 . 12032 1 954 . 1 1 83 83 HIS HB3 H 1 3.216 0.01 . . . . . . . 169 HIS HB3 . 12032 1 955 . 1 1 83 83 HIS HE1 H 1 7.839 0.01 . . . . . . . 169 HIS HE1 . 12032 1 956 . 1 1 83 83 HIS C C 13 174.782 0.00 . . . . . . . 169 HIS C . 12032 1 957 . 1 1 83 83 HIS CA C 13 55.525 0.08 . . . . . . . 169 HIS CA . 12032 1 958 . 1 1 83 83 HIS CB C 13 30.615 0.05 . . . . . . . 169 HIS CB . 12032 1 959 . 1 1 83 83 HIS CE1 C 13 138.398 0.03 . . . . . . . 169 HIS CE1 . 12032 1 960 . 1 1 83 83 HIS N N 15 118.328 0.06 . . . . . . . 169 HIS N . 12032 1 961 . 1 1 84 84 THR H H 1 9.287 0.02 . . . . . . . 170 THR H . 12032 1 962 . 1 1 84 84 THR HA H 1 4.982 0.01 . . . . . . . 170 THR HA . 12032 1 963 . 1 1 84 84 THR HB H 1 4.788 0.01 . . . . . . . 170 THR HB . 12032 1 964 . 1 1 84 84 THR HG21 H 1 1.340 0.01 . . . . . . . 170 THR HG2* . 12032 1 965 . 1 1 84 84 THR HG22 H 1 1.340 0.01 . . . . . . . 170 THR HG2* . 12032 1 966 . 1 1 84 84 THR HG23 H 1 1.340 0.01 . . . . . . . 170 THR HG2* . 12032 1 967 . 1 1 84 84 THR C C 13 176.094 0.00 . . . . . . . 170 THR C . 12032 1 968 . 1 1 84 84 THR CA C 13 59.798 0.09 . . . . . . . 170 THR CA . 12032 1 969 . 1 1 84 84 THR CB C 13 72.888 0.00 . . . . . . . 170 THR CB . 12032 1 970 . 1 1 84 84 THR CG2 C 13 21.511 0.08 . . . . . . . 170 THR CG2 . 12032 1 971 . 1 1 84 84 THR N N 15 110.819 0.11 . . . . . . . 170 THR N . 12032 1 972 . 1 1 85 85 ASP H H 1 9.156 0.01 . . . . . . . 171 ASP H . 12032 1 973 . 1 1 85 85 ASP HA H 1 4.197 0.01 . . . . . . . 171 ASP HA . 12032 1 974 . 1 1 85 85 ASP HB2 H 1 3.156 0.01 . . . . . . . 171 ASP HB2 . 12032 1 975 . 1 1 85 85 ASP HB3 H 1 2.800 0.01 . . . . . . . 171 ASP HB3 . 12032 1 976 . 1 1 85 85 ASP C C 13 178.493 0.00 . . . . . . . 171 ASP C . 12032 1 977 . 1 1 85 85 ASP CA C 13 57.505 0.02 . . . . . . . 171 ASP CA . 12032 1 978 . 1 1 85 85 ASP CB C 13 39.657 0.07 . . . . . . . 171 ASP CB . 12032 1 979 . 1 1 85 85 ASP CG C 13 180.995 0.00 . . . . . . . 171 ASP CG . 12032 1 980 . 1 1 85 85 ASP N N 15 120.298 0.09 . . . . . . . 171 ASP N . 12032 1 981 . 1 1 86 86 GLU H H 1 8.033 0.02 . . . . . . . 172 GLU H . 12032 1 982 . 1 1 86 86 GLU HA H 1 3.994 0.01 . . . . . . . 172 GLU HA . 12032 1 983 . 1 1 86 86 GLU HB2 H 1 1.994 0.02 . . . . . . . 172 GLU HB* . 12032 1 984 . 1 1 86 86 GLU HB3 H 1 1.994 0.02 . . . . . . . 172 GLU HB* . 12032 1 985 . 1 1 86 86 GLU HG2 H 1 2.309 0.00 . . . . . . . 172 GLU HG* . 12032 1 986 . 1 1 86 86 GLU HG3 H 1 2.309 0.00 . . . . . . . 172 GLU HG* . 12032 1 987 . 1 1 86 86 GLU C C 13 178.421 0.00 . . . . . . . 172 GLU C . 12032 1 988 . 1 1 86 86 GLU CA C 13 59.126 0.08 . . . . . . . 172 GLU CA . 12032 1 989 . 1 1 86 86 GLU CB C 13 29.614 0.10 . . . . . . . 172 GLU CB . 12032 1 990 . 1 1 86 86 GLU CD C 13 189.413 0.00 . . . . . . . 172 GLU CD . 12032 1 991 . 1 1 86 86 GLU CG C 13 35.920 0.09 . . . . . . . 172 GLU CG . 12032 1 992 . 1 1 86 86 GLU N N 15 122.111 0.11 . . . . . . . 172 GLU N . 12032 1 993 . 1 1 87 87 ASP H H 1 7.755 0.01 . . . . . . . 173 ASP H . 12032 1 994 . 1 1 87 87 ASP HA H 1 4.443 0.02 . . . . . . . 173 ASP HA . 12032 1 995 . 1 1 87 87 ASP HB2 H 1 2.689 0.01 . . . . . . . 173 ASP HB* . 12032 1 996 . 1 1 87 87 ASP HB3 H 1 2.689 0.01 . . . . . . . 173 ASP HB* . 12032 1 997 . 1 1 87 87 ASP C C 13 179.237 0.00 . . . . . . . 173 ASP C . 12032 1 998 . 1 1 87 87 ASP CA C 13 57.702 0.04 . . . . . . . 173 ASP CA . 12032 1 999 . 1 1 87 87 ASP CB C 13 41.099 0.00 . . . . . . . 173 ASP CB . 12032 1 1000 . 1 1 87 87 ASP CG C 13 188.215 0.00 . . . . . . . 173 ASP CG . 12032 1 1001 . 1 1 87 87 ASP N N 15 119.693 0.08 . . . . . . . 173 ASP N . 12032 1 1002 . 1 1 88 88 VAL H H 1 7.778 0.01 . . . . . . . 174 VAL H . 12032 1 1003 . 1 1 88 88 VAL HA H 1 3.233 0.01 . . . . . . . 174 VAL HA . 12032 1 1004 . 1 1 88 88 VAL HB H 1 2.183 0.02 . . . . . . . 174 VAL HB . 12032 1 1005 . 1 1 88 88 VAL HG11 H 1 0.961 0.01 . . . . . . . 174 VAL HG1* . 12032 1 1006 . 1 1 88 88 VAL HG12 H 1 0.961 0.01 . . . . . . . 174 VAL HG1* . 12032 1 1007 . 1 1 88 88 VAL HG13 H 1 0.961 0.01 . . . . . . . 174 VAL HG1* . 12032 1 1008 . 1 1 88 88 VAL HG21 H 1 0.641 0.02 . . . . . . . 174 VAL HG2* . 12032 1 1009 . 1 1 88 88 VAL HG22 H 1 0.641 0.02 . . . . . . . 174 VAL HG2* . 12032 1 1010 . 1 1 88 88 VAL HG23 H 1 0.641 0.02 . . . . . . . 174 VAL HG2* . 12032 1 1011 . 1 1 88 88 VAL C C 13 176.760 0.00 . . . . . . . 174 VAL C . 12032 1 1012 . 1 1 88 88 VAL CA C 13 67.168 0.05 . . . . . . . 174 VAL CA . 12032 1 1013 . 1 1 88 88 VAL CB C 13 31.418 0.05 . . . . . . . 174 VAL CB . 12032 1 1014 . 1 1 88 88 VAL CG1 C 13 24.463 0.01 . . . . . . . 174 VAL CG1 . 12032 1 1015 . 1 1 88 88 VAL CG2 C 13 21.188 0.03 . . . . . . . 174 VAL CG2 . 12032 1 1016 . 1 1 88 88 VAL N N 15 119.779 0.08 . . . . . . . 174 VAL N . 12032 1 1017 . 1 1 89 89 LYS H H 1 8.121 0.01 . . . . . . . 175 LYS H . 12032 1 1018 . 1 1 89 89 LYS HA H 1 3.735 0.01 . . . . . . . 175 LYS HA . 12032 1 1019 . 1 1 89 89 LYS HB2 H 1 1.870 0.02 . . . . . . . 175 LYS HB* . 12032 1 1020 . 1 1 89 89 LYS HB3 H 1 1.870 0.02 . . . . . . . 175 LYS HB* . 12032 1 1021 . 1 1 89 89 LYS C C 13 179.607 0.00 . . . . . . . 175 LYS C . 12032 1 1022 . 1 1 89 89 LYS CA C 13 60.577 0.06 . . . . . . . 175 LYS CA . 12032 1 1023 . 1 1 89 89 LYS CB C 13 32.103 0.05 . . . . . . . 175 LYS CB . 12032 1 1024 . 1 1 89 89 LYS N N 15 119.923 0.08 . . . . . . . 175 LYS N . 12032 1 1025 . 1 1 90 90 ASN H H 1 8.326 0.01 . . . . . . . 176 ASN H . 12032 1 1026 . 1 1 90 90 ASN HB2 H 1 2.339 0.00 . . . . . . . 176 ASN HB2 . 12032 1 1027 . 1 1 90 90 ASN HB3 H 1 2.873 0.02 . . . . . . . 176 ASN HB3 . 12032 1 1028 . 1 1 90 90 ASN C C 13 177.632 0.00 . . . . . . . 176 ASN C . 12032 1 1029 . 1 1 90 90 ASN CA C 13 56.122 0.00 . . . . . . . 176 ASN CA . 12032 1 1030 . 1 1 90 90 ASN CB C 13 38.233 0.12 . . . . . . . 176 ASN CB . 12032 1 1031 . 1 1 90 90 ASN N N 15 117.497 0.10 . . . . . . . 176 ASN N . 12032 1 1032 . 1 1 91 91 ALA H H 1 8.416 0.01 . . . . . . . 177 ALA H . 12032 1 1033 . 1 1 91 91 ALA HA H 1 3.909 0.01 . . . . . . . 177 ALA HA . 12032 1 1034 . 1 1 91 91 ALA HB1 H 1 1.442 0.01 . . . . . . . 177 ALA HB* . 12032 1 1035 . 1 1 91 91 ALA HB2 H 1 1.442 0.01 . . . . . . . 177 ALA HB* . 12032 1 1036 . 1 1 91 91 ALA HB3 H 1 1.442 0.01 . . . . . . . 177 ALA HB* . 12032 1 1037 . 1 1 91 91 ALA C C 13 178.847 0.00 . . . . . . . 177 ALA C . 12032 1 1038 . 1 1 91 91 ALA CA C 13 55.446 0.08 . . . . . . . 177 ALA CA . 12032 1 1039 . 1 1 91 91 ALA CB C 13 19.464 0.05 . . . . . . . 177 ALA CB . 12032 1 1040 . 1 1 91 91 ALA N N 15 123.264 0.09 . . . . . . . 177 ALA N . 12032 1 1041 . 1 1 92 92 VAL H H 1 8.780 0.01 . . . . . . . 178 VAL H . 12032 1 1042 . 1 1 92 92 VAL HA H 1 3.216 0.01 . . . . . . . 178 VAL HA . 12032 1 1043 . 1 1 92 92 VAL HB H 1 2.099 0.01 . . . . . . . 178 VAL HB . 12032 1 1044 . 1 1 92 92 VAL HG11 H 1 0.749 0.01 . . . . . . . 178 VAL HG1* . 12032 1 1045 . 1 1 92 92 VAL HG12 H 1 0.749 0.01 . . . . . . . 178 VAL HG1* . 12032 1 1046 . 1 1 92 92 VAL HG13 H 1 0.749 0.01 . . . . . . . 178 VAL HG1* . 12032 1 1047 . 1 1 92 92 VAL HG21 H 1 0.491 0.02 . . . . . . . 178 VAL HG2* . 12032 1 1048 . 1 1 92 92 VAL HG22 H 1 0.491 0.02 . . . . . . . 178 VAL HG2* . 12032 1 1049 . 1 1 92 92 VAL HG23 H 1 0.491 0.02 . . . . . . . 178 VAL HG2* . 12032 1 1050 . 1 1 92 92 VAL C C 13 177.566 0.00 . . . . . . . 178 VAL C . 12032 1 1051 . 1 1 92 92 VAL CA C 13 67.283 0.10 . . . . . . . 178 VAL CA . 12032 1 1052 . 1 1 92 92 VAL CB C 13 31.111 0.07 . . . . . . . 178 VAL CB . 12032 1 1053 . 1 1 92 92 VAL CG1 C 13 24.096 0.06 . . . . . . . 178 VAL CG1 . 12032 1 1054 . 1 1 92 92 VAL CG2 C 13 21.886 0.02 . . . . . . . 178 VAL CG2 . 12032 1 1055 . 1 1 92 92 VAL N N 15 118.813 0.10 . . . . . . . 178 VAL N . 12032 1 1056 . 1 1 93 93 GLY H H 1 7.920 0.01 . . . . . . . 179 GLY H . 12032 1 1057 . 1 1 93 93 GLY HA2 H 1 3.693 0.01 . . . . . . . 179 GLY HA2 . 12032 1 1058 . 1 1 93 93 GLY HA3 H 1 4.039 0.02 . . . . . . . 179 GLY HA3 . 12032 1 1059 . 1 1 93 93 GLY C C 13 177.374 0.00 . . . . . . . 179 GLY C . 12032 1 1060 . 1 1 93 93 GLY CA C 13 47.676 0.12 . . . . . . . 179 GLY CA . 12032 1 1061 . 1 1 93 93 GLY N N 15 106.028 0.10 . . . . . . . 179 GLY N . 12032 1 1062 . 1 1 94 94 VAL H H 1 7.919 0.01 . . . . . . . 180 VAL H . 12032 1 1063 . 1 1 94 94 VAL HA H 1 3.708 0.01 . . . . . . . 180 VAL HA . 12032 1 1064 . 1 1 94 94 VAL HB H 1 2.264 0.02 . . . . . . . 180 VAL HB . 12032 1 1065 . 1 1 94 94 VAL HG11 H 1 0.850 0.02 . . . . . . . 180 VAL HG1* . 12032 1 1066 . 1 1 94 94 VAL HG12 H 1 0.850 0.02 . . . . . . . 180 VAL HG1* . 12032 1 1067 . 1 1 94 94 VAL HG13 H 1 0.850 0.02 . . . . . . . 180 VAL HG1* . 12032 1 1068 . 1 1 94 94 VAL HG21 H 1 1.024 0.02 . . . . . . . 180 VAL HG2* . 12032 1 1069 . 1 1 94 94 VAL HG22 H 1 1.024 0.02 . . . . . . . 180 VAL HG2* . 12032 1 1070 . 1 1 94 94 VAL HG23 H 1 1.024 0.02 . . . . . . . 180 VAL HG2* . 12032 1 1071 . 1 1 94 94 VAL C C 13 179.035 0.00 . . . . . . . 180 VAL C . 12032 1 1072 . 1 1 94 94 VAL CA C 13 66.040 0.10 . . . . . . . 180 VAL CA . 12032 1 1073 . 1 1 94 94 VAL CB C 13 31.646 0.13 . . . . . . . 180 VAL CB . 12032 1 1074 . 1 1 94 94 VAL CG1 C 13 21.466 0.06 . . . . . . . 180 VAL CG1 . 12032 1 1075 . 1 1 94 94 VAL CG2 C 13 22.503 0.03 . . . . . . . 180 VAL CG2 . 12032 1 1076 . 1 1 94 94 VAL N N 15 123.505 0.14 . . . . . . . 180 VAL N . 12032 1 1077 . 1 1 95 95 LEU H H 1 8.021 0.01 . . . . . . . 181 LEU H . 12032 1 1078 . 1 1 95 95 LEU HA H 1 4.032 0.01 . . . . . . . 181 LEU HA . 12032 1 1079 . 1 1 95 95 LEU HB2 H 1 1.315 0.02 . . . . . . . 181 LEU HB* . 12032 1 1080 . 1 1 95 95 LEU HB3 H 1 1.315 0.02 . . . . . . . 181 LEU HB* . 12032 1 1081 . 1 1 95 95 LEU HD11 H 1 0.816 0.02 . . . . . . . 181 LEU HD1* . 12032 1 1082 . 1 1 95 95 LEU HD12 H 1 0.816 0.02 . . . . . . . 181 LEU HD1* . 12032 1 1083 . 1 1 95 95 LEU HD13 H 1 0.816 0.02 . . . . . . . 181 LEU HD1* . 12032 1 1084 . 1 1 95 95 LEU HD21 H 1 0.611 0.02 . . . . . . . 181 LEU HD2* . 12032 1 1085 . 1 1 95 95 LEU HD22 H 1 0.611 0.02 . . . . . . . 181 LEU HD2* . 12032 1 1086 . 1 1 95 95 LEU HD23 H 1 0.611 0.02 . . . . . . . 181 LEU HD2* . 12032 1 1087 . 1 1 95 95 LEU HG H 1 1.948 0.02 . . . . . . . 181 LEU HG . 12032 1 1088 . 1 1 95 95 LEU C C 13 177.476 0.00 . . . . . . . 181 LEU C . 12032 1 1089 . 1 1 95 95 LEU CA C 13 58.155 0.16 . . . . . . . 181 LEU CA . 12032 1 1090 . 1 1 95 95 LEU CB C 13 42.491 0.20 . . . . . . . 181 LEU CB . 12032 1 1091 . 1 1 95 95 LEU CD1 C 13 23.557 0.10 . . . . . . . 181 LEU CD1 . 12032 1 1092 . 1 1 95 95 LEU CD2 C 13 23.510 0.00 . . . . . . . 181 LEU CD2 . 12032 1 1093 . 1 1 95 95 LEU CG C 13 27.068 0.09 . . . . . . . 181 LEU CG . 12032 1 1094 . 1 1 95 95 LEU N N 15 122.424 0.14 . . . . . . . 181 LEU N . 12032 1 1095 . 1 1 96 96 ILE H H 1 8.947 0.01 . . . . . . . 182 ILE H . 12032 1 1096 . 1 1 96 96 ILE HA H 1 3.304 0.01 . . . . . . . 182 ILE HA . 12032 1 1097 . 1 1 96 96 ILE HB H 1 1.628 0.01 . . . . . . . 182 ILE HB . 12032 1 1098 . 1 1 96 96 ILE HD11 H 1 0.347 0.01 . . . . . . . 182 ILE HD1* . 12032 1 1099 . 1 1 96 96 ILE HD12 H 1 0.347 0.01 . . . . . . . 182 ILE HD1* . 12032 1 1100 . 1 1 96 96 ILE HD13 H 1 0.347 0.01 . . . . . . . 182 ILE HD1* . 12032 1 1101 . 1 1 96 96 ILE HG21 H 1 0.756 0.02 . . . . . . . 182 ILE HG2* . 12032 1 1102 . 1 1 96 96 ILE HG22 H 1 0.756 0.02 . . . . . . . 182 ILE HG2* . 12032 1 1103 . 1 1 96 96 ILE HG23 H 1 0.756 0.02 . . . . . . . 182 ILE HG2* . 12032 1 1104 . 1 1 96 96 ILE C C 13 178.026 0.00 . . . . . . . 182 ILE C . 12032 1 1105 . 1 1 96 96 ILE CA C 13 67.424 0.06 . . . . . . . 182 ILE CA . 12032 1 1106 . 1 1 96 96 ILE CB C 13 38.024 0.03 . . . . . . . 182 ILE CB . 12032 1 1107 . 1 1 96 96 ILE CD1 C 13 13.660 0.04 . . . . . . . 182 ILE CD1 . 12032 1 1108 . 1 1 96 96 ILE CG1 C 13 30.419 0.00 . . . . . . . 182 ILE CG1 . 12032 1 1109 . 1 1 96 96 ILE CG2 C 13 16.865 0.03 . . . . . . . 182 ILE CG2 . 12032 1 1110 . 1 1 96 96 ILE N N 15 117.562 0.09 . . . . . . . 182 ILE N . 12032 1 1111 . 1 1 97 97 GLY H H 1 8.212 0.01 . . . . . . . 183 GLY H . 12032 1 1112 . 1 1 97 97 GLY HA2 H 1 3.889 0.02 . . . . . . . 183 GLY HA* . 12032 1 1113 . 1 1 97 97 GLY HA3 H 1 3.889 0.02 . . . . . . . 183 GLY HA* . 12032 1 1114 . 1 1 97 97 GLY CA C 13 47.163 0.07 . . . . . . . 183 GLY CA . 12032 1 1115 . 1 1 97 97 GLY N N 15 104.895 0.05 . . . . . . . 183 GLY N . 12032 1 1116 . 1 1 98 98 GLY H H 1 8.131 0.02 . . . . . . . 184 GLY H . 12032 1 1117 . 1 1 98 98 GLY HA2 H 1 3.902 0.00 . . . . . . . 184 GLY HA* . 12032 1 1118 . 1 1 98 98 GLY HA3 H 1 3.902 0.00 . . . . . . . 184 GLY HA* . 12032 1 1119 . 1 1 98 98 GLY C C 13 176.243 0.00 . . . . . . . 184 GLY C . 12032 1 1120 . 1 1 98 98 GLY CA C 13 47.170 0.00 . . . . . . . 184 GLY CA . 12032 1 1121 . 1 1 98 98 GLY N N 15 108.361 0.10 . . . . . . . 184 GLY N . 12032 1 1122 . 1 1 99 99 LEU H H 1 8.185 0.01 . . . . . . . 185 LEU H . 12032 1 1123 . 1 1 99 99 LEU HA H 1 4.210 0.01 . . . . . . . 185 LEU HA . 12032 1 1124 . 1 1 99 99 LEU HB2 H 1 0.949 0.01 . . . . . . . 185 LEU HB2 . 12032 1 1125 . 1 1 99 99 LEU HB3 H 1 1.964 0.02 . . . . . . . 185 LEU HB3 . 12032 1 1126 . 1 1 99 99 LEU HD11 H 1 0.744 0.01 . . . . . . . 185 LEU HD1* . 12032 1 1127 . 1 1 99 99 LEU HD12 H 1 0.744 0.01 . . . . . . . 185 LEU HD1* . 12032 1 1128 . 1 1 99 99 LEU HD13 H 1 0.744 0.01 . . . . . . . 185 LEU HD1* . 12032 1 1129 . 1 1 99 99 LEU HD21 H 1 0.744 0.01 . . . . . . . 185 LEU HD2* . 12032 1 1130 . 1 1 99 99 LEU HD22 H 1 0.744 0.01 . . . . . . . 185 LEU HD2* . 12032 1 1131 . 1 1 99 99 LEU HD23 H 1 0.744 0.01 . . . . . . . 185 LEU HD2* . 12032 1 1132 . 1 1 99 99 LEU HG H 1 0.565 0.00 . . . . . . . 185 LEU HG . 12032 1 1133 . 1 1 99 99 LEU C C 13 181.540 0.00 . . . . . . . 185 LEU C . 12032 1 1134 . 1 1 99 99 LEU CA C 13 57.531 0.00 . . . . . . . 185 LEU CA . 12032 1 1135 . 1 1 99 99 LEU CB C 13 42.774 0.08 . . . . . . . 185 LEU CB . 12032 1 1136 . 1 1 99 99 LEU CD1 C 13 22.237 0.06 . . . . . . . 185 LEU CD1 . 12032 1 1137 . 1 1 99 99 LEU CD2 C 13 22.473 0.12 . . . . . . . 185 LEU CD2 . 12032 1 1138 . 1 1 99 99 LEU CG C 13 26.543 0.02 . . . . . . . 185 LEU CG . 12032 1 1139 . 1 1 99 99 LEU N N 15 121.496 0.10 . . . . . . . 185 LEU N . 12032 1 1140 . 1 1 100 100 GLU H H 1 9.282 0.01 . . . . . . . 186 GLU H . 12032 1 1141 . 1 1 100 100 GLU HA H 1 4.398 0.01 . . . . . . . 186 GLU HA . 12032 1 1142 . 1 1 100 100 GLU CA C 13 59.711 0.05 . . . . . . . 186 GLU CA . 12032 1 1143 . 1 1 100 100 GLU CB C 13 29.486 0.00 . . . . . . . 186 GLU CB . 12032 1 1144 . 1 1 100 100 GLU N N 15 121.822 0.11 . . . . . . . 186 GLU N . 12032 1 1145 . 1 1 101 101 ARG HA H 1 4.216 0.01 . . . . . . . 187 ARG HA . 12032 1 1146 . 1 1 101 101 ARG HB2 H 1 1.990 0.02 . . . . . . . 187 ARG HB* . 12032 1 1147 . 1 1 101 101 ARG HB3 H 1 1.990 0.02 . . . . . . . 187 ARG HB* . 12032 1 1148 . 1 1 101 101 ARG HD2 H 1 3.266 0.01 . . . . . . . 187 ARG HD* . 12032 1 1149 . 1 1 101 101 ARG HD3 H 1 3.266 0.01 . . . . . . . 187 ARG HD* . 12032 1 1150 . 1 1 101 101 ARG HG2 H 1 1.797 0.01 . . . . . . . 187 ARG HG2 . 12032 1 1151 . 1 1 101 101 ARG HG3 H 1 1.787 0.00 . . . . . . . 187 ARG HG3 . 12032 1 1152 . 1 1 101 101 ARG C C 13 176.573 0.00 . . . . . . . 187 ARG C . 12032 1 1153 . 1 1 101 101 ARG CA C 13 58.554 0.11 . . . . . . . 187 ARG CA . 12032 1 1154 . 1 1 101 101 ARG CB C 13 29.699 0.06 . . . . . . . 187 ARG CB . 12032 1 1155 . 1 1 101 101 ARG CD C 13 43.548 0.14 . . . . . . . 187 ARG CD . 12032 1 1156 . 1 1 101 101 ARG CG C 13 27.414 0.15 . . . . . . . 187 ARG CG . 12032 1 1157 . 1 1 102 102 ASN H H 1 6.968 0.01 . . . . . . . 188 ASN H . 12032 1 1158 . 1 1 102 102 ASN HA H 1 5.108 0.01 . . . . . . . 188 ASN HA . 12032 1 1159 . 1 1 102 102 ASN HB2 H 1 2.491 0.01 . . . . . . . 188 ASN HB2 . 12032 1 1160 . 1 1 102 102 ASN HB3 H 1 3.638 0.02 . . . . . . . 188 ASN HB3 . 12032 1 1161 . 1 1 102 102 ASN HD21 H 1 7.915 0.01 . . . . . . . 188 ASN HD21 . 12032 1 1162 . 1 1 102 102 ASN HD22 H 1 6.564 0.00 . . . . . . . 188 ASN HD22 . 12032 1 1163 . 1 1 102 102 ASN C C 13 172.885 0.00 . . . . . . . 188 ASN C . 12032 1 1164 . 1 1 102 102 ASN CA C 13 51.766 0.08 . . . . . . . 188 ASN CA . 12032 1 1165 . 1 1 102 102 ASN CB C 13 38.209 0.08 . . . . . . . 188 ASN CB . 12032 1 1166 . 1 1 102 102 ASN N N 15 118.004 0.14 . . . . . . . 188 ASN N . 12032 1 1167 . 1 1 102 102 ASN ND2 N 15 112.188 0.00 . . . . . . . 188 ASN ND2 . 12032 1 1168 . 1 1 103 103 ASP H H 1 7.780 0.01 . . . . . . . 189 ASP H . 12032 1 1169 . 1 1 103 103 ASP HA H 1 4.362 0.02 . . . . . . . 189 ASP HA . 12032 1 1170 . 1 1 103 103 ASP HB2 H 1 3.098 0.01 . . . . . . . 189 ASP HB2 . 12032 1 1171 . 1 1 103 103 ASP HB3 H 1 2.891 0.02 . . . . . . . 189 ASP HB3 . 12032 1 1172 . 1 1 103 103 ASP C C 13 175.214 0.00 . . . . . . . 189 ASP C . 12032 1 1173 . 1 1 103 103 ASP CA C 13 56.088 0.12 . . . . . . . 189 ASP CA . 12032 1 1174 . 1 1 103 103 ASP CB C 13 38.323 0.10 . . . . . . . 189 ASP CB . 12032 1 1175 . 1 1 103 103 ASP CG C 13 185.938 0.00 . . . . . . . 189 ASP CG . 12032 1 1176 . 1 1 103 103 ASP N N 15 111.484 0.06 . . . . . . . 189 ASP N . 12032 1 1177 . 1 1 104 104 ASN H H 1 7.116 0.01 . . . . . . . 190 ASN H . 12032 1 1178 . 1 1 104 104 ASN HA H 1 5.340 0.01 . . . . . . . 190 ASN HA . 12032 1 1179 . 1 1 104 104 ASN HB2 H 1 1.979 0.01 . . . . . . . 190 ASN HB2 . 12032 1 1180 . 1 1 104 104 ASN HB3 H 1 2.416 0.01 . . . . . . . 190 ASN HB3 . 12032 1 1181 . 1 1 104 104 ASN HD21 H 1 7.590 0.02 . . . . . . . 190 ASN HD21 . 12032 1 1182 . 1 1 104 104 ASN HD22 H 1 6.789 0.01 . . . . . . . 190 ASN HD22 . 12032 1 1183 . 1 1 104 104 ASN C C 13 175.324 0.00 . . . . . . . 190 ASN C . 12032 1 1184 . 1 1 104 104 ASN CA C 13 52.959 0.10 . . . . . . . 190 ASN CA . 12032 1 1185 . 1 1 104 104 ASN CB C 13 40.473 0.06 . . . . . . . 190 ASN CB . 12032 1 1186 . 1 1 104 104 ASN N N 15 112.683 0.08 . . . . . . . 190 ASN N . 12032 1 1187 . 1 1 104 104 ASN ND2 N 15 113.958 0.00 . . . . . . . 190 ASN ND2 . 12032 1 1188 . 1 1 105 105 THR H H 1 8.797 0.01 . . . . . . . 191 THR H . 12032 1 1189 . 1 1 105 105 THR HA H 1 4.555 0.01 . . . . . . . 191 THR HA . 12032 1 1190 . 1 1 105 105 THR HB H 1 4.224 0.01 . . . . . . . 191 THR HB . 12032 1 1191 . 1 1 105 105 THR HG21 H 1 1.186 0.01 . . . . . . . 191 THR HG2* . 12032 1 1192 . 1 1 105 105 THR HG22 H 1 1.186 0.01 . . . . . . . 191 THR HG2* . 12032 1 1193 . 1 1 105 105 THR HG23 H 1 1.186 0.01 . . . . . . . 191 THR HG2* . 12032 1 1194 . 1 1 105 105 THR C C 13 173.679 0.00 . . . . . . . 191 THR C . 12032 1 1195 . 1 1 105 105 THR CA C 13 62.147 0.06 . . . . . . . 191 THR CA . 12032 1 1196 . 1 1 105 105 THR CB C 13 69.848 0.06 . . . . . . . 191 THR CB . 12032 1 1197 . 1 1 105 105 THR CG2 C 13 21.366 0.10 . . . . . . . 191 THR CG2 . 12032 1 1198 . 1 1 105 105 THR N N 15 119.031 0.07 . . . . . . . 191 THR N . 12032 1 1199 . 1 1 106 106 VAL H H 1 9.360 0.01 . . . . . . . 192 VAL H . 12032 1 1200 . 1 1 106 106 VAL HA H 1 4.670 0.01 . . . . . . . 192 VAL HA . 12032 1 1201 . 1 1 106 106 VAL HB H 1 1.935 0.01 . . . . . . . 192 VAL HB . 12032 1 1202 . 1 1 106 106 VAL HG11 H 1 0.692 0.01 . . . . . . . 192 VAL HG1* . 12032 1 1203 . 1 1 106 106 VAL HG12 H 1 0.692 0.01 . . . . . . . 192 VAL HG1* . 12032 1 1204 . 1 1 106 106 VAL HG13 H 1 0.692 0.01 . . . . . . . 192 VAL HG1* . 12032 1 1205 . 1 1 106 106 VAL HG21 H 1 0.713 0.02 . . . . . . . 192 VAL HG2* . 12032 1 1206 . 1 1 106 106 VAL HG22 H 1 0.713 0.02 . . . . . . . 192 VAL HG2* . 12032 1 1207 . 1 1 106 106 VAL HG23 H 1 0.713 0.02 . . . . . . . 192 VAL HG2* . 12032 1 1208 . 1 1 106 106 VAL C C 13 174.737 0.00 . . . . . . . 192 VAL C . 12032 1 1209 . 1 1 106 106 VAL CA C 13 61.465 0.06 . . . . . . . 192 VAL CA . 12032 1 1210 . 1 1 106 106 VAL CB C 13 33.349 0.12 . . . . . . . 192 VAL CB . 12032 1 1211 . 1 1 106 106 VAL CG1 C 13 22.913 0.16 . . . . . . . 192 VAL CG1 . 12032 1 1212 . 1 1 106 106 VAL CG2 C 13 22.952 0.15 . . . . . . . 192 VAL CG2 . 12032 1 1213 . 1 1 106 106 VAL N N 15 127.180 0.06 . . . . . . . 192 VAL N . 12032 1 1214 . 1 1 107 107 ARG H H 1 9.007 0.01 . . . . . . . 193 ARG H . 12032 1 1215 . 1 1 107 107 ARG HA H 1 4.807 0.02 . . . . . . . 193 ARG HA . 12032 1 1216 . 1 1 107 107 ARG HB2 H 1 1.796 0.02 . . . . . . . 193 ARG HB2 . 12032 1 1217 . 1 1 107 107 ARG HB3 H 1 1.793 0.01 . . . . . . . 193 ARG HB3 . 12032 1 1218 . 1 1 107 107 ARG HD2 H 1 3.181 0.02 . . . . . . . 193 ARG HD2 . 12032 1 1219 . 1 1 107 107 ARG HD3 H 1 3.178 0.02 . . . . . . . 193 ARG HD3 . 12032 1 1220 . 1 1 107 107 ARG HG2 H 1 1.545 0.02 . . . . . . . 193 ARG HG2 . 12032 1 1221 . 1 1 107 107 ARG HG3 H 1 1.524 0.02 . . . . . . . 193 ARG HG3 . 12032 1 1222 . 1 1 107 107 ARG C C 13 174.759 0.00 . . . . . . . 193 ARG C . 12032 1 1223 . 1 1 107 107 ARG CA C 13 53.912 0.00 . . . . . . . 193 ARG CA . 12032 1 1224 . 1 1 107 107 ARG CB C 13 33.126 0.08 . . . . . . . 193 ARG CB . 12032 1 1225 . 1 1 107 107 ARG CD C 13 43.407 0.06 . . . . . . . 193 ARG CD . 12032 1 1226 . 1 1 107 107 ARG CG C 13 27.403 0.06 . . . . . . . 193 ARG CG . 12032 1 1227 . 1 1 107 107 ARG N N 15 127.608 0.05 . . . . . . . 193 ARG N . 12032 1 1228 . 1 1 108 108 VAL H H 1 8.625 0.01 . . . . . . . 194 VAL H . 12032 1 1229 . 1 1 108 108 VAL HA H 1 4.532 0.01 . . . . . . . 194 VAL HA . 12032 1 1230 . 1 1 108 108 VAL HB H 1 2.109 0.01 . . . . . . . 194 VAL HB . 12032 1 1231 . 1 1 108 108 VAL HG11 H 1 0.837 0.02 . . . . . . . 194 VAL HG1* . 12032 1 1232 . 1 1 108 108 VAL HG12 H 1 0.837 0.02 . . . . . . . 194 VAL HG1* . 12032 1 1233 . 1 1 108 108 VAL HG13 H 1 0.837 0.02 . . . . . . . 194 VAL HG1* . 12032 1 1234 . 1 1 108 108 VAL HG21 H 1 0.813 0.01 . . . . . . . 194 VAL HG2* . 12032 1 1235 . 1 1 108 108 VAL HG22 H 1 0.813 0.01 . . . . . . . 194 VAL HG2* . 12032 1 1236 . 1 1 108 108 VAL HG23 H 1 0.813 0.01 . . . . . . . 194 VAL HG2* . 12032 1 1237 . 1 1 108 108 VAL C C 13 175.791 0.00 . . . . . . . 194 VAL C . 12032 1 1238 . 1 1 108 108 VAL CA C 13 60.440 0.06 . . . . . . . 194 VAL CA . 12032 1 1239 . 1 1 108 108 VAL CB C 13 34.306 0.19 . . . . . . . 194 VAL CB . 12032 1 1240 . 1 1 108 108 VAL CG1 C 13 22.259 0.10 . . . . . . . 194 VAL CG1 . 12032 1 1241 . 1 1 108 108 VAL CG2 C 13 20.153 0.03 . . . . . . . 194 VAL CG2 . 12032 1 1242 . 1 1 108 108 VAL N N 15 116.672 0.10 . . . . . . . 194 VAL N . 12032 1 1243 . 1 1 109 109 SER H H 1 7.910 0.01 . . . . . . . 195 SER H . 12032 1 1244 . 1 1 109 109 SER HA H 1 4.394 0.01 . . . . . . . 195 SER HA . 12032 1 1245 . 1 1 109 109 SER HB2 H 1 4.246 0.01 . . . . . . . 195 SER HB2 . 12032 1 1246 . 1 1 109 109 SER HB3 H 1 4.238 0.01 . . . . . . . 195 SER HB3 . 12032 1 1247 . 1 1 109 109 SER C C 13 174.358 0.00 . . . . . . . 195 SER C . 12032 1 1248 . 1 1 109 109 SER CA C 13 58.287 0.00 . . . . . . . 195 SER CA . 12032 1 1249 . 1 1 109 109 SER CB C 13 64.270 0.05 . . . . . . . 195 SER CB . 12032 1 1250 . 1 1 109 109 SER N N 15 120.256 0.06 . . . . . . . 195 SER N . 12032 1 1251 . 1 1 110 110 GLU H H 1 9.106 0.01 . . . . . . . 196 GLU H . 12032 1 1252 . 1 1 110 110 GLU HA H 1 4.029 0.01 . . . . . . . 196 GLU HA . 12032 1 1253 . 1 1 110 110 GLU HB2 H 1 2.127 0.01 . . . . . . . 196 GLU HB2 . 12032 1 1254 . 1 1 110 110 GLU HB3 H 1 2.147 0.02 . . . . . . . 196 GLU HB3 . 12032 1 1255 . 1 1 110 110 GLU HG2 H 1 2.402 0.02 . . . . . . . 196 GLU HG2 . 12032 1 1256 . 1 1 110 110 GLU HG3 H 1 2.398 0.01 . . . . . . . 196 GLU HG3 . 12032 1 1257 . 1 1 110 110 GLU C C 13 179.229 0.00 . . . . . . . 196 GLU C . 12032 1 1258 . 1 1 110 110 GLU CA C 13 59.895 0.07 . . . . . . . 196 GLU CA . 12032 1 1259 . 1 1 110 110 GLU CB C 13 29.498 0.10 . . . . . . . 196 GLU CB . 12032 1 1260 . 1 1 110 110 GLU CD C 13 190.119 0.00 . . . . . . . 196 GLU CD . 12032 1 1261 . 1 1 110 110 GLU CG C 13 36.648 0.10 . . . . . . . 196 GLU CG . 12032 1 1262 . 1 1 110 110 GLU N N 15 122.049 0.18 . . . . . . . 196 GLU N . 12032 1 1263 . 1 1 111 111 THR H H 1 8.212 0.01 . . . . . . . 197 THR H . 12032 1 1264 . 1 1 111 111 THR HA H 1 4.085 0.02 . . . . . . . 197 THR HA . 12032 1 1265 . 1 1 111 111 THR HB H 1 4.447 0.01 . . . . . . . 197 THR HB . 12032 1 1266 . 1 1 111 111 THR HG21 H 1 1.412 0.01 . . . . . . . 197 THR HG2* . 12032 1 1267 . 1 1 111 111 THR HG22 H 1 1.412 0.01 . . . . . . . 197 THR HG2* . 12032 1 1268 . 1 1 111 111 THR HG23 H 1 1.412 0.01 . . . . . . . 197 THR HG2* . 12032 1 1269 . 1 1 111 111 THR CA C 13 65.382 0.06 . . . . . . . 197 THR CA . 12032 1 1270 . 1 1 111 111 THR CB C 13 67.497 0.06 . . . . . . . 197 THR CB . 12032 1 1271 . 1 1 111 111 THR CG2 C 13 23.888 0.09 . . . . . . . 197 THR CG2 . 12032 1 1272 . 1 1 111 111 THR N N 15 113.107 0.10 . . . . . . . 197 THR N . 12032 1 1273 . 1 1 112 112 LEU H H 1 7.925 0.01 . . . . . . . 198 LEU H . 12032 1 1274 . 1 1 112 112 LEU C C 13 179.575 0.00 . . . . . . . 198 LEU C . 12032 1 1275 . 1 1 112 112 LEU N N 15 123.330 0.13 . . . . . . . 198 LEU N . 12032 1 1276 . 1 1 113 113 GLN H H 1 8.524 0.03 . . . . . . . 199 GLN H . 12032 1 1277 . 1 1 113 113 GLN HA H 1 4.073 0.02 . . . . . . . 199 GLN HA . 12032 1 1278 . 1 1 113 113 GLN HB2 H 1 2.213 0.03 . . . . . . . 199 GLN HB2 . 12032 1 1279 . 1 1 113 113 GLN HB3 H 1 2.219 0.00 . . . . . . . 199 GLN HB3 . 12032 1 1280 . 1 1 113 113 GLN HE21 H 1 6.811 0.01 . . . . . . . 199 GLN HE21 . 12032 1 1281 . 1 1 113 113 GLN HE22 H 1 7.255 0.01 . . . . . . . 199 GLN HE22 . 12032 1 1282 . 1 1 113 113 GLN HG2 H 1 2.435 0.01 . . . . . . . 199 GLN HG2 . 12032 1 1283 . 1 1 113 113 GLN HG3 H 1 2.431 0.00 . . . . . . . 199 GLN HG3 . 12032 1 1284 . 1 1 113 113 GLN C C 13 177.330 0.00 . . . . . . . 199 GLN C . 12032 1 1285 . 1 1 113 113 GLN CA C 13 59.194 0.06 . . . . . . . 199 GLN CA . 12032 1 1286 . 1 1 113 113 GLN CB C 13 28.836 0.00 . . . . . . . 199 GLN CB . 12032 1 1287 . 1 1 113 113 GLN CG C 13 34.269 0.07 . . . . . . . 199 GLN CG . 12032 1 1288 . 1 1 113 113 GLN N N 15 119.439 0.10 . . . . . . . 199 GLN N . 12032 1 1289 . 1 1 113 113 GLN NE2 N 15 111.730 0.00 . . . . . . . 199 GLN NE2 . 12032 1 1290 . 1 1 114 114 ARG H H 1 7.574 0.01 . . . . . . . 200 ARG H . 12032 1 1291 . 1 1 114 114 ARG HA H 1 3.986 0.01 . . . . . . . 200 ARG HA . 12032 1 1292 . 1 1 114 114 ARG HB2 H 1 1.697 0.01 . . . . . . . 200 ARG HB2 . 12032 1 1293 . 1 1 114 114 ARG HB3 H 1 1.479 0.01 . . . . . . . 200 ARG HB3 . 12032 1 1294 . 1 1 114 114 ARG HD2 H 1 2.942 0.02 . . . . . . . 200 ARG HD2 . 12032 1 1295 . 1 1 114 114 ARG HD3 H 1 2.936 0.00 . . . . . . . 200 ARG HD3 . 12032 1 1296 . 1 1 114 114 ARG HG2 H 1 1.152 0.01 . . . . . . . 200 ARG HG2 . 12032 1 1297 . 1 1 114 114 ARG HG3 H 1 0.882 0.02 . . . . . . . 200 ARG HG3 . 12032 1 1298 . 1 1 114 114 ARG C C 13 177.687 0.00 . . . . . . . 200 ARG C . 12032 1 1299 . 1 1 114 114 ARG CA C 13 58.341 0.08 . . . . . . . 200 ARG CA . 12032 1 1300 . 1 1 114 114 ARG CB C 13 30.498 0.08 . . . . . . . 200 ARG CB . 12032 1 1301 . 1 1 114 114 ARG CD C 13 43.388 0.07 . . . . . . . 200 ARG CD . 12032 1 1302 . 1 1 114 114 ARG CG C 13 26.796 0.10 . . . . . . . 200 ARG CG . 12032 1 1303 . 1 1 114 114 ARG N N 15 115.665 0.05 . . . . . . . 200 ARG N . 12032 1 1304 . 1 1 115 115 PHE H H 1 7.610 0.01 . . . . . . . 201 PHE H . 12032 1 1305 . 1 1 115 115 PHE HA H 1 4.405 0.00 . . . . . . . 201 PHE HA . 12032 1 1306 . 1 1 115 115 PHE HB2 H 1 2.289 0.00 . . . . . . . 201 PHE HB2 . 12032 1 1307 . 1 1 115 115 PHE HB3 H 1 2.314 0.00 . . . . . . . 201 PHE HB3 . 12032 1 1308 . 1 1 115 115 PHE HD1 H 1 7.263 0.01 . . . . . . . 201 PHE HD* . 12032 1 1309 . 1 1 115 115 PHE HD2 H 1 7.263 0.01 . . . . . . . 201 PHE HD* . 12032 1 1310 . 1 1 115 115 PHE HE1 H 1 7.396 0.05 . . . . . . . 201 PHE HE* . 12032 1 1311 . 1 1 115 115 PHE HE2 H 1 7.396 0.05 . . . . . . . 201 PHE HE* . 12032 1 1312 . 1 1 115 115 PHE C C 13 177.148 0.00 . . . . . . . 201 PHE C . 12032 1 1313 . 1 1 115 115 PHE CA C 13 59.721 0.00 . . . . . . . 201 PHE CA . 12032 1 1314 . 1 1 115 115 PHE CB C 13 36.763 0.00 . . . . . . . 201 PHE CB . 12032 1 1315 . 1 1 115 115 PHE CD1 C 13 131.417 0.22 . . . . . . . 201 PHE CD* . 12032 1 1316 . 1 1 115 115 PHE CD2 C 13 131.417 0.22 . . . . . . . 201 PHE CD* . 12032 1 1317 . 1 1 115 115 PHE CE1 C 13 131.736 0.12 . . . . . . . 201 PHE CE* . 12032 1 1318 . 1 1 115 115 PHE CE2 C 13 131.736 0.12 . . . . . . . 201 PHE CE* . 12032 1 1319 . 1 1 115 115 PHE N N 15 113.091 0.15 . . . . . . . 201 PHE N . 12032 1 1320 . 1 1 116 116 ALA H H 1 8.463 0.02 . . . . . . . 202 ALA H . 12032 1 1321 . 1 1 116 116 ALA HA H 1 4.531 0.01 . . . . . . . 202 ALA HA . 12032 1 1322 . 1 1 116 116 ALA HB1 H 1 1.037 0.01 . . . . . . . 202 ALA HB* . 12032 1 1323 . 1 1 116 116 ALA HB2 H 1 1.037 0.01 . . . . . . . 202 ALA HB* . 12032 1 1324 . 1 1 116 116 ALA HB3 H 1 1.037 0.01 . . . . . . . 202 ALA HB* . 12032 1 1325 . 1 1 116 116 ALA C C 13 175.445 0.00 . . . . . . . 202 ALA C . 12032 1 1326 . 1 1 116 116 ALA CA C 13 52.810 0.07 . . . . . . . 202 ALA CA . 12032 1 1327 . 1 1 116 116 ALA CB C 13 20.327 0.03 . . . . . . . 202 ALA CB . 12032 1 1328 . 1 1 116 116 ALA N N 15 120.825 0.17 . . . . . . . 202 ALA N . 12032 1 1329 . 1 1 117 117 TRP H H 1 7.922 0.01 . . . . . . . 203 TRP H . 12032 1 1330 . 1 1 117 117 TRP HA H 1 4.747 0.02 . . . . . . . 203 TRP HA . 12032 1 1331 . 1 1 117 117 TRP HB2 H 1 3.214 0.01 . . . . . . . 203 TRP HB2 . 12032 1 1332 . 1 1 117 117 TRP HB3 H 1 3.031 0.02 . . . . . . . 203 TRP HB3 . 12032 1 1333 . 1 1 117 117 TRP HD1 H 1 7.153 0.02 . . . . . . . 203 TRP HD1 . 12032 1 1334 . 1 1 117 117 TRP HE1 H 1 10.203 0.00 . . . . . . . 203 TRP HE1 . 12032 1 1335 . 1 1 117 117 TRP HE3 H 1 6.976 0.02 . . . . . . . 203 TRP HE3 . 12032 1 1336 . 1 1 117 117 TRP HH2 H 1 7.023 0.02 . . . . . . . 203 TRP HH2 . 12032 1 1337 . 1 1 117 117 TRP HZ2 H 1 7.362 0.03 . . . . . . . 203 TRP HZ2 . 12032 1 1338 . 1 1 117 117 TRP HZ3 H 1 7.551 0.02 . . . . . . . 203 TRP HZ3 . 12032 1 1339 . 1 1 117 117 TRP C C 13 174.920 0.00 . . . . . . . 203 TRP C . 12032 1 1340 . 1 1 117 117 TRP CA C 13 57.399 0.05 . . . . . . . 203 TRP CA . 12032 1 1341 . 1 1 117 117 TRP CB C 13 30.616 0.05 . . . . . . . 203 TRP CB . 12032 1 1342 . 1 1 117 117 TRP CD1 C 13 126.867 0.09 . . . . . . . 203 TRP CD1 . 12032 1 1343 . 1 1 117 117 TRP CE3 C 13 127.904 0.05 . . . . . . . 203 TRP CE3 . 12032 1 1344 . 1 1 117 117 TRP CH2 C 13 123.924 0.04 . . . . . . . 203 TRP CH2 . 12032 1 1345 . 1 1 117 117 TRP CZ2 C 13 114.506 0.07 . . . . . . . 203 TRP CZ2 . 12032 1 1346 . 1 1 117 117 TRP N N 15 119.121 0.11 . . . . . . . 203 TRP N . 12032 1 1347 . 1 1 117 117 TRP NE1 N 15 129.354 0.00 . . . . . . . 203 TRP NE1 . 12032 1 1348 . 1 1 118 118 ARG H H 1 7.801 0.01 . . . . . . . 204 ARG H . 12032 1 1349 . 1 1 118 118 ARG HA H 1 4.316 0.01 . . . . . . . 204 ARG HA . 12032 1 1350 . 1 1 118 118 ARG HB2 H 1 1.698 0.00 . . . . . . . 204 ARG HB* . 12032 1 1351 . 1 1 118 118 ARG HB3 H 1 1.698 0.00 . . . . . . . 204 ARG HB* . 12032 1 1352 . 1 1 118 118 ARG N N 15 121.591 0.10 . . . . . . . 204 ARG N . 12032 1 stop_ save_