data_30102 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30102 _Entry.Title ; Solution structure of the yeast Ddi1 HDD domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-06-10 _Entry.Accession_date 2016-06-10 _Entry.Last_release_date 2016-09-30 _Entry.Original_release_date 2016-09-30 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _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 J.-F. Trempe J. . . . 30102 2 C. Ratcliffe C. . . . 30102 3 V. Veverka V. . . . 30102 4 K. Saskova K. . . . 30102 5 K. Gehring K. . . . 30102 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'DNA repair' . 30102 'UNKNOWN FUNCTION' . 30102 'helical bundles' . 30102 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30102 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 507 30102 '15N chemical shifts' 126 30102 '1H chemical shifts' 857 30102 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 . . 2016-09-30 . original BMRB . 30102 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5KES 'BMRB Entry Tracking System' 30102 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30102 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1038/srep33671 _Citation.PubMed_ID 27646017 _Citation.Full_citation . _Citation.Title ; Structural studies of the yeast DNA damage-inducible protein Ddi1 reveal domain architecture of this eukaryotic protein family. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Sci. Rep.' _Citation.Journal_name_full . _Citation.Journal_volume 6 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN 2045-2322 _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 33671 _Citation.Page_last 33671 _Citation.Year 2016 _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 J. Trempe J. F. . . 30102 1 2 K. Saskova K. G. . . 30102 1 3 M. Siva M. . . . 30102 1 4 C. Ratcliffe C. D. . . 30102 1 5 V. Veverka V. . . . 30102 1 6 A. Hoegl A. . . . 30102 1 7 M. Menade M. . . . 30102 1 8 X. Feng X. . . . 30102 1 9 S. Shenker S. . . . 30102 1 10 M. Svoboda M. . . . 30102 1 11 M. Kozisek M. . . . 30102 1 12 J. Konvalinka J. . . . 30102 1 13 K. Gehring K. . . . 30102 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30102 _Assembly.ID 1 _Assembly.Name 'DNA damage-inducible protein 1' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A A yes . . . . . . 30102 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30102 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GPLGSATLSDEAFIEQFRQE LLNNQMLRSQLILQIPGLND LVNDPLLFRERLGPLILQRR YGGYNTAMNPFGIPQDEYTR LMANPDDPDNKKRIAELLDQ QAIDEQLRNAIEYTPE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 116 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment 'residues 86-196' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13309.941 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'v-SNARE-master 1' na 30102 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 81 GLY . 30102 1 2 82 PRO . 30102 1 3 83 LEU . 30102 1 4 84 GLY . 30102 1 5 85 SER . 30102 1 6 86 ALA . 30102 1 7 87 THR . 30102 1 8 88 LEU . 30102 1 9 89 SER . 30102 1 10 90 ASP . 30102 1 11 91 GLU . 30102 1 12 92 ALA . 30102 1 13 93 PHE . 30102 1 14 94 ILE . 30102 1 15 95 GLU . 30102 1 16 96 GLN . 30102 1 17 97 PHE . 30102 1 18 98 ARG . 30102 1 19 99 GLN . 30102 1 20 100 GLU . 30102 1 21 101 LEU . 30102 1 22 102 LEU . 30102 1 23 103 ASN . 30102 1 24 104 ASN . 30102 1 25 105 GLN . 30102 1 26 106 MET . 30102 1 27 107 LEU . 30102 1 28 108 ARG . 30102 1 29 109 SER . 30102 1 30 110 GLN . 30102 1 31 111 LEU . 30102 1 32 112 ILE . 30102 1 33 113 LEU . 30102 1 34 114 GLN . 30102 1 35 115 ILE . 30102 1 36 116 PRO . 30102 1 37 117 GLY . 30102 1 38 118 LEU . 30102 1 39 119 ASN . 30102 1 40 120 ASP . 30102 1 41 121 LEU . 30102 1 42 122 VAL . 30102 1 43 123 ASN . 30102 1 44 124 ASP . 30102 1 45 125 PRO . 30102 1 46 126 LEU . 30102 1 47 127 LEU . 30102 1 48 128 PHE . 30102 1 49 129 ARG . 30102 1 50 130 GLU . 30102 1 51 131 ARG . 30102 1 52 132 LEU . 30102 1 53 133 GLY . 30102 1 54 134 PRO . 30102 1 55 135 LEU . 30102 1 56 136 ILE . 30102 1 57 137 LEU . 30102 1 58 138 GLN . 30102 1 59 139 ARG . 30102 1 60 140 ARG . 30102 1 61 141 TYR . 30102 1 62 142 GLY . 30102 1 63 143 GLY . 30102 1 64 144 TYR . 30102 1 65 145 ASN . 30102 1 66 146 THR . 30102 1 67 147 ALA . 30102 1 68 148 MET . 30102 1 69 149 ASN . 30102 1 70 150 PRO . 30102 1 71 151 PHE . 30102 1 72 152 GLY . 30102 1 73 153 ILE . 30102 1 74 154 PRO . 30102 1 75 155 GLN . 30102 1 76 156 ASP . 30102 1 77 157 GLU . 30102 1 78 158 TYR . 30102 1 79 159 THR . 30102 1 80 160 ARG . 30102 1 81 161 LEU . 30102 1 82 162 MET . 30102 1 83 163 ALA . 30102 1 84 164 ASN . 30102 1 85 165 PRO . 30102 1 86 166 ASP . 30102 1 87 167 ASP . 30102 1 88 168 PRO . 30102 1 89 169 ASP . 30102 1 90 170 ASN . 30102 1 91 171 LYS . 30102 1 92 172 LYS . 30102 1 93 173 ARG . 30102 1 94 174 ILE . 30102 1 95 175 ALA . 30102 1 96 176 GLU . 30102 1 97 177 LEU . 30102 1 98 178 LEU . 30102 1 99 179 ASP . 30102 1 100 180 GLN . 30102 1 101 181 GLN . 30102 1 102 182 ALA . 30102 1 103 183 ILE . 30102 1 104 184 ASP . 30102 1 105 185 GLU . 30102 1 106 186 GLN . 30102 1 107 187 LEU . 30102 1 108 188 ARG . 30102 1 109 189 ASN . 30102 1 110 190 ALA . 30102 1 111 191 ILE . 30102 1 112 192 GLU . 30102 1 113 193 TYR . 30102 1 114 194 THR . 30102 1 115 195 PRO . 30102 1 116 196 GLU . 30102 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 30102 1 . PRO 2 2 30102 1 . LEU 3 3 30102 1 . GLY 4 4 30102 1 . SER 5 5 30102 1 . ALA 6 6 30102 1 . THR 7 7 30102 1 . LEU 8 8 30102 1 . SER 9 9 30102 1 . ASP 10 10 30102 1 . GLU 11 11 30102 1 . ALA 12 12 30102 1 . PHE 13 13 30102 1 . ILE 14 14 30102 1 . GLU 15 15 30102 1 . GLN 16 16 30102 1 . PHE 17 17 30102 1 . ARG 18 18 30102 1 . GLN 19 19 30102 1 . GLU 20 20 30102 1 . LEU 21 21 30102 1 . LEU 22 22 30102 1 . ASN 23 23 30102 1 . ASN 24 24 30102 1 . GLN 25 25 30102 1 . MET 26 26 30102 1 . LEU 27 27 30102 1 . ARG 28 28 30102 1 . SER 29 29 30102 1 . GLN 30 30 30102 1 . LEU 31 31 30102 1 . ILE 32 32 30102 1 . LEU 33 33 30102 1 . GLN 34 34 30102 1 . ILE 35 35 30102 1 . PRO 36 36 30102 1 . GLY 37 37 30102 1 . LEU 38 38 30102 1 . ASN 39 39 30102 1 . ASP 40 40 30102 1 . LEU 41 41 30102 1 . VAL 42 42 30102 1 . ASN 43 43 30102 1 . ASP 44 44 30102 1 . PRO 45 45 30102 1 . LEU 46 46 30102 1 . LEU 47 47 30102 1 . PHE 48 48 30102 1 . ARG 49 49 30102 1 . GLU 50 50 30102 1 . ARG 51 51 30102 1 . LEU 52 52 30102 1 . GLY 53 53 30102 1 . PRO 54 54 30102 1 . LEU 55 55 30102 1 . ILE 56 56 30102 1 . LEU 57 57 30102 1 . GLN 58 58 30102 1 . ARG 59 59 30102 1 . ARG 60 60 30102 1 . TYR 61 61 30102 1 . GLY 62 62 30102 1 . GLY 63 63 30102 1 . TYR 64 64 30102 1 . ASN 65 65 30102 1 . THR 66 66 30102 1 . ALA 67 67 30102 1 . MET 68 68 30102 1 . ASN 69 69 30102 1 . PRO 70 70 30102 1 . PHE 71 71 30102 1 . GLY 72 72 30102 1 . ILE 73 73 30102 1 . PRO 74 74 30102 1 . GLN 75 75 30102 1 . ASP 76 76 30102 1 . GLU 77 77 30102 1 . TYR 78 78 30102 1 . THR 79 79 30102 1 . ARG 80 80 30102 1 . LEU 81 81 30102 1 . MET 82 82 30102 1 . ALA 83 83 30102 1 . ASN 84 84 30102 1 . PRO 85 85 30102 1 . ASP 86 86 30102 1 . ASP 87 87 30102 1 . PRO 88 88 30102 1 . ASP 89 89 30102 1 . ASN 90 90 30102 1 . LYS 91 91 30102 1 . LYS 92 92 30102 1 . ARG 93 93 30102 1 . ILE 94 94 30102 1 . ALA 95 95 30102 1 . GLU 96 96 30102 1 . LEU 97 97 30102 1 . LEU 98 98 30102 1 . ASP 99 99 30102 1 . GLN 100 100 30102 1 . GLN 101 101 30102 1 . ALA 102 102 30102 1 . ILE 103 103 30102 1 . ASP 104 104 30102 1 . GLU 105 105 30102 1 . GLN 106 106 30102 1 . LEU 107 107 30102 1 . ARG 108 108 30102 1 . ASN 109 109 30102 1 . ALA 110 110 30102 1 . ILE 111 111 30102 1 . GLU 112 112 30102 1 . TYR 113 113 30102 1 . THR 114 114 30102 1 . PRO 115 115 30102 1 . GLU 116 116 30102 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 30102 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 559292 organism . 'Saccharomyces cerevisiae' "Baker's yeast" . . Eukaryota Fungi Saccharomyces cerevisiae 'ATCC 204508 / S288c' . . . . . . . . . . 'DDI1, VSM1, YER143W' . 30102 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 30102 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli K-12' . . 83333 . . K12 . . plasmid . . pGEX-6P1 . . . 30102 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30102 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.5 mM [U-13C; U-15N] Ddi1 86-196, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Ddi1 86-196-1' '[U-13C; U-15N]' . . 1 $entity_1 . . 0.5 . . mM 0.1 . . . 30102 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 30102 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.5 mM [U-15N] Ddi1 86-196, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Ddi1 86-196-2' [U-15N] . . 1 $entity_1 . . 0.5 . . mM 0.1 . . . 30102 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 30102 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 110 . mM 30102 1 pH 6.5 . pH 30102 1 pressure 1 . atm 30102 1 temperature 303 . K 30102 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 30102 _Sample_condition_list.ID 2 _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' 110 . mM 30102 2 pH 6.5 . pH 30102 2 pressure 1 . atm 30102 2 temperature 303 . K 30102 2 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30102 _Software.ID 1 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 30102 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 30102 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30102 _Software.ID 2 _Software.Name MODULE _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'M. Blackledge' . . 30102 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 30102 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30102 _Software.ID 3 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 30102 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 30102 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 30102 _Software.ID 4 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 30102 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 30102 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 30102 _Software.ID 5 _Software.Name XPLOR-NIH _Software.Version 2.40 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'C.D. Schwieters, J.J. Kuszewski, N. Tjandra, and G.M. Clore' . . 30102 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 30102 5 'structure calculation' 30102 5 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 30102 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'RT probe' _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 30102 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details cryoprobe _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 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 30102 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker Avance . 600 . . . 30102 1 2 NMR_spectrometer_2 Bruker Avance . 850 . . . 30102 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 30102 _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 het NOE' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30102 1 2 '2D 1H-15N HSQC-IPAP' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30102 1 3 '2D 1H-15N HSQC-IPAP' no . . . . . . . . . . 2 $sample_2 anisotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30102 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30102 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30102 1 6 '3D 15N/1H NOESY-HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30102 1 7 '3D 13C/1H HSQC-NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30102 1 8 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30102 1 9 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30102 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 30102 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.25144953 . . . . . 30102 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 30102 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 30102 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 30102 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N het NOE' . . . 30102 1 2 '2D 1H-15N HSQC-IPAP' . . . 30102 1 3 '2D 1H-15N HSQC-IPAP' . . . 30102 1 4 '3D CBCA(CO)NH' . . . 30102 1 5 '3D HNCACB' . . . 30102 1 6 '3D 15N/1H NOESY-HSQC' . . . 30102 1 7 '3D 13C/1H HSQC-NOESY' . . . 30102 1 8 '2D 1H-15N HSQC' . . . 30102 1 9 '2D 1H-15N HSQC' . . . 30102 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 3 $software_3 . . 30102 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.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 PRO HA H 1 4.506 0.015 . . . . . A 82 PRO HA . 30102 1 2 . 1 1 2 2 PRO HB2 H 1 2.379 0.015 . . . . . A 82 PRO HB2 . 30102 1 3 . 1 1 2 2 PRO HB3 H 1 2.026 0.015 . . . . . A 82 PRO HB3 . 30102 1 4 . 1 1 2 2 PRO HG2 H 1 2.069 0.015 . . . . . A 82 PRO HG2 . 30102 1 5 . 1 1 2 2 PRO HG3 H 1 2.069 0.015 . . . . . A 82 PRO HG3 . 30102 1 6 . 1 1 2 2 PRO HD2 H 1 3.602 0.015 . . . . . A 82 PRO HD2 . 30102 1 7 . 1 1 2 2 PRO HD3 H 1 3.602 0.015 . . . . . A 82 PRO HD3 . 30102 1 8 . 1 1 2 2 PRO C C 13 177.054 0.150 . . . . . A 82 PRO C . 30102 1 9 . 1 1 2 2 PRO CA C 13 63.267 0.150 . . . . . A 82 PRO CA . 30102 1 10 . 1 1 2 2 PRO CB C 13 32.378 0.150 . . . . . A 82 PRO CB . 30102 1 11 . 1 1 2 2 PRO CG C 13 27.132 0.150 . . . . . A 82 PRO CG . 30102 1 12 . 1 1 2 2 PRO CD C 13 49.765 0.150 . . . . . A 82 PRO CD . 30102 1 13 . 1 1 3 3 LEU H H 1 8.531 0.015 . . . . . A 83 LEU H . 30102 1 14 . 1 1 3 3 LEU HA H 1 4.381 0.015 . . . . . A 83 LEU HA . 30102 1 15 . 1 1 3 3 LEU HB2 H 1 1.704 0.015 . . . . . A 83 LEU HB2 . 30102 1 16 . 1 1 3 3 LEU HB3 H 1 1.704 0.015 . . . . . A 83 LEU HB3 . 30102 1 17 . 1 1 3 3 LEU HG H 1 1.696 0.015 . . . . . A 83 LEU HG . 30102 1 18 . 1 1 3 3 LEU HD11 H 1 0.946 0.015 . . . . . A 83 LEU HD11 . 30102 1 19 . 1 1 3 3 LEU HD12 H 1 0.946 0.015 . . . . . A 83 LEU HD12 . 30102 1 20 . 1 1 3 3 LEU HD13 H 1 0.946 0.015 . . . . . A 83 LEU HD13 . 30102 1 21 . 1 1 3 3 LEU HD21 H 1 0.946 0.015 . . . . . A 83 LEU HD21 . 30102 1 22 . 1 1 3 3 LEU HD22 H 1 0.946 0.015 . . . . . A 83 LEU HD22 . 30102 1 23 . 1 1 3 3 LEU HD23 H 1 0.946 0.015 . . . . . A 83 LEU HD23 . 30102 1 24 . 1 1 3 3 LEU C C 13 177.987 0.150 . . . . . A 83 LEU C . 30102 1 25 . 1 1 3 3 LEU CA C 13 55.471 0.150 . . . . . A 83 LEU CA . 30102 1 26 . 1 1 3 3 LEU CB C 13 42.376 0.150 . . . . . A 83 LEU CB . 30102 1 27 . 1 1 3 3 LEU CG C 13 27.086 0.150 . . . . . A 83 LEU CG . 30102 1 28 . 1 1 3 3 LEU CD1 C 13 25.073 0.150 . . . . . A 83 LEU CD1 . 30102 1 29 . 1 1 3 3 LEU CD2 C 13 23.685 0.150 . . . . . A 83 LEU CD2 . 30102 1 30 . 1 1 3 3 LEU N N 15 122.211 0.150 . . . . . A 83 LEU N . 30102 1 31 . 1 1 4 4 GLY H H 1 8.441 0.015 . . . . . A 84 GLY H . 30102 1 32 . 1 1 4 4 GLY HA2 H 1 4.024 0.015 . . . . . A 84 GLY HA2 . 30102 1 33 . 1 1 4 4 GLY HA3 H 1 4.024 0.015 . . . . . A 84 GLY HA3 . 30102 1 34 . 1 1 4 4 GLY C C 13 174.489 0.150 . . . . . A 84 GLY C . 30102 1 35 . 1 1 4 4 GLY CA C 13 45.596 0.150 . . . . . A 84 GLY CA . 30102 1 36 . 1 1 4 4 GLY N N 15 109.616 0.150 . . . . . A 84 GLY N . 30102 1 37 . 1 1 5 5 SER H H 1 8.222 0.015 . . . . . A 85 SER H . 30102 1 38 . 1 1 5 5 SER HA H 1 4.481 0.015 . . . . . A 85 SER HA . 30102 1 39 . 1 1 5 5 SER HB2 H 1 3.926 0.015 . . . . . A 85 SER HB2 . 30102 1 40 . 1 1 5 5 SER HB3 H 1 3.926 0.015 . . . . . A 85 SER HB3 . 30102 1 41 . 1 1 5 5 SER C C 13 174.797 0.150 . . . . . A 85 SER C . 30102 1 42 . 1 1 5 5 SER CA C 13 58.636 0.150 . . . . . A 85 SER CA . 30102 1 43 . 1 1 5 5 SER CB C 13 64.021 0.150 . . . . . A 85 SER CB . 30102 1 44 . 1 1 5 5 SER N N 15 115.65 0.150 . . . . . A 85 SER N . 30102 1 45 . 1 1 6 6 ALA H H 1 8.417 0.015 . . . . . A 86 ALA H . 30102 1 46 . 1 1 6 6 ALA HA H 1 4.422 0.015 . . . . . A 86 ALA HA . 30102 1 47 . 1 1 6 6 ALA HB1 H 1 1.478 0.015 . . . . . A 86 ALA HB1 . 30102 1 48 . 1 1 6 6 ALA HB2 H 1 1.478 0.015 . . . . . A 86 ALA HB2 . 30102 1 49 . 1 1 6 6 ALA HB3 H 1 1.478 0.015 . . . . . A 86 ALA HB3 . 30102 1 50 . 1 1 6 6 ALA C C 13 178.042 0.150 . . . . . A 86 ALA C . 30102 1 51 . 1 1 6 6 ALA CA C 13 53.172 0.150 . . . . . A 86 ALA CA . 30102 1 52 . 1 1 6 6 ALA CB C 13 19.307 0.150 . . . . . A 86 ALA CB . 30102 1 53 . 1 1 6 6 ALA N N 15 125.541 0.150 . . . . . A 86 ALA N . 30102 1 54 . 1 1 7 7 THR H H 1 8.088 0.015 . . . . . A 87 THR H . 30102 1 55 . 1 1 7 7 THR HA H 1 4.341 0.015 . . . . . A 87 THR HA . 30102 1 56 . 1 1 7 7 THR HB H 1 4.273 0.015 . . . . . A 87 THR HB . 30102 1 57 . 1 1 7 7 THR HG21 H 1 1.24 0.015 . . . . . A 87 THR HG21 . 30102 1 58 . 1 1 7 7 THR HG22 H 1 1.24 0.015 . . . . . A 87 THR HG22 . 30102 1 59 . 1 1 7 7 THR HG23 H 1 1.24 0.015 . . . . . A 87 THR HG23 . 30102 1 60 . 1 1 7 7 THR C C 13 174.841 0.150 . . . . . A 87 THR C . 30102 1 61 . 1 1 7 7 THR CA C 13 62.036 0.150 . . . . . A 87 THR CA . 30102 1 62 . 1 1 7 7 THR CB C 13 69.774 0.150 . . . . . A 87 THR CB . 30102 1 63 . 1 1 7 7 THR CG2 C 13 21.777 0.150 . . . . . A 87 THR CG2 . 30102 1 64 . 1 1 7 7 THR N N 15 111.804 0.150 . . . . . A 87 THR N . 30102 1 65 . 1 1 8 8 LEU H H 1 8.107 0.015 . . . . . A 88 LEU H . 30102 1 66 . 1 1 8 8 LEU HA H 1 4.513 0.015 . . . . . A 88 LEU HA . 30102 1 67 . 1 1 8 8 LEU HB2 H 1 1.797 0.015 . . . . . A 88 LEU HB2 . 30102 1 68 . 1 1 8 8 LEU HB3 H 1 1.75 0.015 . . . . . A 88 LEU HB3 . 30102 1 69 . 1 1 8 8 LEU HG H 1 1.861 0.015 . . . . . A 88 LEU HG . 30102 1 70 . 1 1 8 8 LEU HD11 H 1 1 0.015 . . . . . A 88 LEU HD11 . 30102 1 71 . 1 1 8 8 LEU HD12 H 1 1 0.015 . . . . . A 88 LEU HD12 . 30102 1 72 . 1 1 8 8 LEU HD13 H 1 1 0.015 . . . . . A 88 LEU HD13 . 30102 1 73 . 1 1 8 8 LEU HD21 H 1 0.964 0.015 . . . . . A 88 LEU HD21 . 30102 1 74 . 1 1 8 8 LEU HD22 H 1 0.964 0.015 . . . . . A 88 LEU HD22 . 30102 1 75 . 1 1 8 8 LEU HD23 H 1 0.964 0.015 . . . . . A 88 LEU HD23 . 30102 1 76 . 1 1 8 8 LEU C C 13 178.343 0.150 . . . . . A 88 LEU C . 30102 1 77 . 1 1 8 8 LEU CA C 13 55.218 0.150 . . . . . A 88 LEU CA . 30102 1 78 . 1 1 8 8 LEU CB C 13 43.324 0.150 . . . . . A 88 LEU CB . 30102 1 79 . 1 1 8 8 LEU CG C 13 26.986 0.150 . . . . . A 88 LEU CG . 30102 1 80 . 1 1 8 8 LEU CD1 C 13 25.509 0.150 . . . . . A 88 LEU CD1 . 30102 1 81 . 1 1 8 8 LEU CD2 C 13 23.947 0.150 . . . . . A 88 LEU CD2 . 30102 1 82 . 1 1 8 8 LEU N N 15 124.079 0.150 . . . . . A 88 LEU N . 30102 1 83 . 1 1 9 9 SER H H 1 8.86 0.015 . . . . . A 89 SER H . 30102 1 84 . 1 1 9 9 SER HA H 1 4.507 0.015 . . . . . A 89 SER HA . 30102 1 85 . 1 1 9 9 SER HB2 H 1 4.421 0.015 . . . . . A 89 SER HB2 . 30102 1 86 . 1 1 9 9 SER HB3 H 1 4.178 0.015 . . . . . A 89 SER HB3 . 30102 1 87 . 1 1 9 9 SER C C 13 174.681 0.150 . . . . . A 89 SER C . 30102 1 88 . 1 1 9 9 SER CA C 13 58.108 0.150 . . . . . A 89 SER CA . 30102 1 89 . 1 1 9 9 SER CB C 13 64.449 0.150 . . . . . A 89 SER CB . 30102 1 90 . 1 1 9 9 SER N N 15 120.867 0.150 . . . . . A 89 SER N . 30102 1 91 . 1 1 10 10 ASP H H 1 9.114 0.015 . . . . . A 90 ASP H . 30102 1 92 . 1 1 10 10 ASP HA H 1 4.374 0.015 . . . . . A 90 ASP HA . 30102 1 93 . 1 1 10 10 ASP HB2 H 1 2.771 0.015 . . . . . A 90 ASP HB2 . 30102 1 94 . 1 1 10 10 ASP HB3 H 1 2.771 0.015 . . . . . A 90 ASP HB3 . 30102 1 95 . 1 1 10 10 ASP C C 13 178.16 0.150 . . . . . A 90 ASP C . 30102 1 96 . 1 1 10 10 ASP CA C 13 58.398 0.150 . . . . . A 90 ASP CA . 30102 1 97 . 1 1 10 10 ASP CB C 13 40.118 0.150 . . . . . A 90 ASP CB . 30102 1 98 . 1 1 10 10 ASP N N 15 123.36 0.150 . . . . . A 90 ASP N . 30102 1 99 . 1 1 11 11 GLU H H 1 8.966 0.015 . . . . . A 91 GLU H . 30102 1 100 . 1 1 11 11 GLU HA H 1 3.988 0.015 . . . . . A 91 GLU HA . 30102 1 101 . 1 1 11 11 GLU HB2 H 1 2.149 0.015 . . . . . A 91 GLU HB2 . 30102 1 102 . 1 1 11 11 GLU HB3 H 1 2.014 0.015 . . . . . A 91 GLU HB3 . 30102 1 103 . 1 1 11 11 GLU HG2 H 1 2.373 0.015 . . . . . A 91 GLU HG2 . 30102 1 104 . 1 1 11 11 GLU HG3 H 1 2.373 0.015 . . . . . A 91 GLU HG3 . 30102 1 105 . 1 1 11 11 GLU C C 13 179.466 0.150 . . . . . A 91 GLU C . 30102 1 106 . 1 1 11 11 GLU CA C 13 60.78 0.150 . . . . . A 91 GLU CA . 30102 1 107 . 1 1 11 11 GLU CB C 13 29.201 0.150 . . . . . A 91 GLU CB . 30102 1 108 . 1 1 11 11 GLU CG C 13 36.992 0.150 . . . . . A 91 GLU CG . 30102 1 109 . 1 1 11 11 GLU N N 15 118.071 0.150 . . . . . A 91 GLU N . 30102 1 110 . 1 1 12 12 ALA H H 1 8.148 0.015 . . . . . A 92 ALA H . 30102 1 111 . 1 1 12 12 ALA HA H 1 4.306 0.015 . . . . . A 92 ALA HA . 30102 1 112 . 1 1 12 12 ALA HB1 H 1 1.619 0.015 . . . . . A 92 ALA HB1 . 30102 1 113 . 1 1 12 12 ALA HB2 H 1 1.619 0.015 . . . . . A 92 ALA HB2 . 30102 1 114 . 1 1 12 12 ALA HB3 H 1 1.619 0.015 . . . . . A 92 ALA HB3 . 30102 1 115 . 1 1 12 12 ALA C C 13 180.21 0.150 . . . . . A 92 ALA C . 30102 1 116 . 1 1 12 12 ALA CA C 13 54.936 0.150 . . . . . A 92 ALA CA . 30102 1 117 . 1 1 12 12 ALA CB C 13 18.916 0.150 . . . . . A 92 ALA CB . 30102 1 118 . 1 1 12 12 ALA N N 15 123.773 0.150 . . . . . A 92 ALA N . 30102 1 119 . 1 1 13 13 PHE H H 1 9.049 0.015 . . . . . A 93 PHE H . 30102 1 120 . 1 1 13 13 PHE HA H 1 4.084 0.015 . . . . . A 93 PHE HA . 30102 1 121 . 1 1 13 13 PHE HB2 H 1 3.399 0.015 . . . . . A 93 PHE HB2 . 30102 1 122 . 1 1 13 13 PHE HB3 H 1 3.134 0.015 . . . . . A 93 PHE HB3 . 30102 1 123 . 1 1 13 13 PHE HD1 H 1 7.084 0.015 . . . . . A 93 PHE HD1 . 30102 1 124 . 1 1 13 13 PHE HD2 H 1 7.084 0.015 . . . . . A 93 PHE HD2 . 30102 1 125 . 1 1 13 13 PHE HE1 H 1 7.143 0.015 . . . . . A 93 PHE HE1 . 30102 1 126 . 1 1 13 13 PHE HE2 H 1 7.143 0.015 . . . . . A 93 PHE HE2 . 30102 1 127 . 1 1 13 13 PHE HZ H 1 7.259 0.015 . . . . . A 93 PHE HZ . 30102 1 128 . 1 1 13 13 PHE C C 13 177.798 0.150 . . . . . A 93 PHE C . 30102 1 129 . 1 1 13 13 PHE CA C 13 62.144 0.150 . . . . . A 93 PHE CA . 30102 1 130 . 1 1 13 13 PHE CB C 13 39.985 0.150 . . . . . A 93 PHE CB . 30102 1 131 . 1 1 13 13 PHE CD1 C 13 131.804 0.150 . . . . . A 93 PHE CD1 . 30102 1 132 . 1 1 13 13 PHE CE1 C 13 130.642 0.150 . . . . . A 93 PHE CE1 . 30102 1 133 . 1 1 13 13 PHE N N 15 122.582 0.150 . . . . . A 93 PHE N . 30102 1 134 . 1 1 14 14 ILE H H 1 8.47 0.015 . . . . . A 94 ILE H . 30102 1 135 . 1 1 14 14 ILE HA H 1 3.75 0.015 . . . . . A 94 ILE HA . 30102 1 136 . 1 1 14 14 ILE HB H 1 2.177 0.015 . . . . . A 94 ILE HB . 30102 1 137 . 1 1 14 14 ILE HG12 H 1 2.229 0.015 . . . . . A 94 ILE HG12 . 30102 1 138 . 1 1 14 14 ILE HG13 H 1 1.047 0.015 . . . . . A 94 ILE HG13 . 30102 1 139 . 1 1 14 14 ILE HG21 H 1 1.275 0.015 . . . . . A 94 ILE HG21 . 30102 1 140 . 1 1 14 14 ILE HG22 H 1 1.275 0.015 . . . . . A 94 ILE HG22 . 30102 1 141 . 1 1 14 14 ILE HG23 H 1 1.275 0.015 . . . . . A 94 ILE HG23 . 30102 1 142 . 1 1 14 14 ILE HD11 H 1 1.038 0.015 . . . . . A 94 ILE HD11 . 30102 1 143 . 1 1 14 14 ILE HD12 H 1 1.038 0.015 . . . . . A 94 ILE HD12 . 30102 1 144 . 1 1 14 14 ILE HD13 H 1 1.038 0.015 . . . . . A 94 ILE HD13 . 30102 1 145 . 1 1 14 14 ILE C C 13 177.454 0.150 . . . . . A 94 ILE C . 30102 1 146 . 1 1 14 14 ILE CA C 13 66.227 0.150 . . . . . A 94 ILE CA . 30102 1 147 . 1 1 14 14 ILE CB C 13 38.846 0.150 . . . . . A 94 ILE CB . 30102 1 148 . 1 1 14 14 ILE CG1 C 13 30.418 0.150 . . . . . A 94 ILE CG1 . 30102 1 149 . 1 1 14 14 ILE CG2 C 13 18.106 0.150 . . . . . A 94 ILE CG2 . 30102 1 150 . 1 1 14 14 ILE CD1 C 13 15.038 0.150 . . . . . A 94 ILE CD1 . 30102 1 151 . 1 1 14 14 ILE N N 15 119.954 0.150 . . . . . A 94 ILE N . 30102 1 152 . 1 1 15 15 GLU H H 1 7.892 0.015 . . . . . A 95 GLU H . 30102 1 153 . 1 1 15 15 GLU HA H 1 4.3 0.015 . . . . . A 95 GLU HA . 30102 1 154 . 1 1 15 15 GLU HB2 H 1 2.2 0.015 . . . . . A 95 GLU HB2 . 30102 1 155 . 1 1 15 15 GLU HB3 H 1 1.961 0.015 . . . . . A 95 GLU HB3 . 30102 1 156 . 1 1 15 15 GLU HG2 H 1 2.516 0.015 . . . . . A 95 GLU HG2 . 30102 1 157 . 1 1 15 15 GLU HG3 H 1 2.292 0.015 . . . . . A 95 GLU HG3 . 30102 1 158 . 1 1 15 15 GLU C C 13 178.032 0.150 . . . . . A 95 GLU C . 30102 1 159 . 1 1 15 15 GLU CA C 13 57.47 0.150 . . . . . A 95 GLU CA . 30102 1 160 . 1 1 15 15 GLU CB C 13 28.668 0.150 . . . . . A 95 GLU CB . 30102 1 161 . 1 1 15 15 GLU CG C 13 34.239 0.150 . . . . . A 95 GLU CG . 30102 1 162 . 1 1 15 15 GLU N N 15 119.753 0.150 . . . . . A 95 GLU N . 30102 1 163 . 1 1 16 16 GLN H H 1 8.398 0.015 . . . . . A 96 GLN H . 30102 1 164 . 1 1 16 16 GLN HA H 1 3.999 0.015 . . . . . A 96 GLN HA . 30102 1 165 . 1 1 16 16 GLN HB2 H 1 2.111 0.015 . . . . . A 96 GLN HB2 . 30102 1 166 . 1 1 16 16 GLN HB3 H 1 2.111 0.015 . . . . . A 96 GLN HB3 . 30102 1 167 . 1 1 16 16 GLN HG2 H 1 2.433 0.015 . . . . . A 96 GLN HG2 . 30102 1 168 . 1 1 16 16 GLN HG3 H 1 2.322 0.015 . . . . . A 96 GLN HG3 . 30102 1 169 . 1 1 16 16 GLN HE21 H 1 7.452 0.015 . . . . . A 96 GLN HE21 . 30102 1 170 . 1 1 16 16 GLN HE22 H 1 6.748 0.015 . . . . . A 96 GLN HE22 . 30102 1 171 . 1 1 16 16 GLN C C 13 178.758 0.150 . . . . . A 96 GLN C . 30102 1 172 . 1 1 16 16 GLN CA C 13 58.983 0.150 . . . . . A 96 GLN CA . 30102 1 173 . 1 1 16 16 GLN CB C 13 28.099 0.150 . . . . . A 96 GLN CB . 30102 1 174 . 1 1 16 16 GLN CG C 13 34.281 0.150 . . . . . A 96 GLN CG . 30102 1 175 . 1 1 16 16 GLN N N 15 120.031 0.150 . . . . . A 96 GLN N . 30102 1 176 . 1 1 16 16 GLN NE2 N 15 111.273 0.150 . . . . . A 96 GLN NE2 . 30102 1 177 . 1 1 17 17 PHE H H 1 7.881 0.015 . . . . . A 97 PHE H . 30102 1 178 . 1 1 17 17 PHE HA H 1 4.257 0.015 . . . . . A 97 PHE HA . 30102 1 179 . 1 1 17 17 PHE HB2 H 1 3.255 0.015 . . . . . A 97 PHE HB2 . 30102 1 180 . 1 1 17 17 PHE HB3 H 1 3.01 0.015 . . . . . A 97 PHE HB3 . 30102 1 181 . 1 1 17 17 PHE HD1 H 1 7.264 0.015 . . . . . A 97 PHE HD1 . 30102 1 182 . 1 1 17 17 PHE HD2 H 1 7.264 0.015 . . . . . A 97 PHE HD2 . 30102 1 183 . 1 1 17 17 PHE HE1 H 1 7.059 0.015 . . . . . A 97 PHE HE1 . 30102 1 184 . 1 1 17 17 PHE HE2 H 1 7.059 0.015 . . . . . A 97 PHE HE2 . 30102 1 185 . 1 1 17 17 PHE HZ H 1 7.107 0.015 . . . . . A 97 PHE HZ . 30102 1 186 . 1 1 17 17 PHE C C 13 176.922 0.150 . . . . . A 97 PHE C . 30102 1 187 . 1 1 17 17 PHE CA C 13 60.863 0.150 . . . . . A 97 PHE CA . 30102 1 188 . 1 1 17 17 PHE CB C 13 38.957 0.150 . . . . . A 97 PHE CB . 30102 1 189 . 1 1 17 17 PHE CD1 C 13 131.847 0.150 . . . . . A 97 PHE CD1 . 30102 1 190 . 1 1 17 17 PHE CE1 C 13 128.552 0.150 . . . . . A 97 PHE CE1 . 30102 1 191 . 1 1 17 17 PHE CZ C 13 129.031 0.150 . . . . . A 97 PHE CZ . 30102 1 192 . 1 1 17 17 PHE N N 15 121.366 0.150 . . . . . A 97 PHE N . 30102 1 193 . 1 1 18 18 ARG H H 1 8.166 0.015 . . . . . A 98 ARG H . 30102 1 194 . 1 1 18 18 ARG HA H 1 2.988 0.015 . . . . . A 98 ARG HA . 30102 1 195 . 1 1 18 18 ARG HB2 H 1 1.949 0.015 . . . . . A 98 ARG HB2 . 30102 1 196 . 1 1 18 18 ARG HB3 H 1 1.007 0.015 . . . . . A 98 ARG HB3 . 30102 1 197 . 1 1 18 18 ARG HG2 H 1 1.006 0.015 . . . . . A 98 ARG HG2 . 30102 1 198 . 1 1 18 18 ARG HG3 H 1 -0.123 0.015 . . . . . A 98 ARG HG3 . 30102 1 199 . 1 1 18 18 ARG HD2 H 1 3.009 0.015 . . . . . A 98 ARG HD2 . 30102 1 200 . 1 1 18 18 ARG HD3 H 1 2.412 0.015 . . . . . A 98 ARG HD3 . 30102 1 201 . 1 1 18 18 ARG HE H 1 9.704 0.015 . . . . . A 98 ARG HE . 30102 1 202 . 1 1 18 18 ARG C C 13 178.181 0.150 . . . . . A 98 ARG C . 30102 1 203 . 1 1 18 18 ARG CA C 13 60.645 0.150 . . . . . A 98 ARG CA . 30102 1 204 . 1 1 18 18 ARG CB C 13 30.993 0.150 . . . . . A 98 ARG CB . 30102 1 205 . 1 1 18 18 ARG CG C 13 29.917 0.150 . . . . . A 98 ARG CG . 30102 1 206 . 1 1 18 18 ARG CD C 13 42.906 0.150 . . . . . A 98 ARG CD . 30102 1 207 . 1 1 18 18 ARG N N 15 121.095 0.150 . . . . . A 98 ARG N . 30102 1 208 . 1 1 18 18 ARG NE N 15 84.323 0.150 . . . . . A 98 ARG NE . 30102 1 209 . 1 1 19 19 GLN H H 1 8.143 0.015 . . . . . A 99 GLN H . 30102 1 210 . 1 1 19 19 GLN HA H 1 3.675 0.015 . . . . . A 99 GLN HA . 30102 1 211 . 1 1 19 19 GLN HB2 H 1 2.067 0.015 . . . . . A 99 GLN HB2 . 30102 1 212 . 1 1 19 19 GLN HB3 H 1 2.12 0.015 . . . . . A 99 GLN HB3 . 30102 1 213 . 1 1 19 19 GLN HG2 H 1 2.486 0.015 . . . . . A 99 GLN HG2 . 30102 1 214 . 1 1 19 19 GLN HG3 H 1 2.408 0.015 . . . . . A 99 GLN HG3 . 30102 1 215 . 1 1 19 19 GLN HE21 H 1 7.492 0.015 . . . . . A 99 GLN HE21 . 30102 1 216 . 1 1 19 19 GLN HE22 H 1 6.738 0.015 . . . . . A 99 GLN HE22 . 30102 1 217 . 1 1 19 19 GLN C C 13 178.672 0.150 . . . . . A 99 GLN C . 30102 1 218 . 1 1 19 19 GLN CA C 13 58.578 0.150 . . . . . A 99 GLN CA . 30102 1 219 . 1 1 19 19 GLN CB C 13 27.743 0.150 . . . . . A 99 GLN CB . 30102 1 220 . 1 1 19 19 GLN CG C 13 33.633 0.150 . . . . . A 99 GLN CG . 30102 1 221 . 1 1 19 19 GLN N N 15 114.431 0.150 . . . . . A 99 GLN N . 30102 1 222 . 1 1 19 19 GLN NE2 N 15 113.251 0.150 . . . . . A 99 GLN NE2 . 30102 1 223 . 1 1 20 20 GLU H H 1 7.892 0.015 . . . . . A 100 GLU H . 30102 1 224 . 1 1 20 20 GLU HA H 1 4.088 0.015 . . . . . A 100 GLU HA . 30102 1 225 . 1 1 20 20 GLU HB2 H 1 2.077 0.015 . . . . . A 100 GLU HB2 . 30102 1 226 . 1 1 20 20 GLU HB3 H 1 1.946 0.015 . . . . . A 100 GLU HB3 . 30102 1 227 . 1 1 20 20 GLU HG2 H 1 2.266 0.015 . . . . . A 100 GLU HG2 . 30102 1 228 . 1 1 20 20 GLU HG3 H 1 2.181 0.015 . . . . . A 100 GLU HG3 . 30102 1 229 . 1 1 20 20 GLU C C 13 178.96 0.150 . . . . . A 100 GLU C . 30102 1 230 . 1 1 20 20 GLU CA C 13 59.216 0.150 . . . . . A 100 GLU CA . 30102 1 231 . 1 1 20 20 GLU CB C 13 28.547 0.150 . . . . . A 100 GLU CB . 30102 1 232 . 1 1 20 20 GLU CG C 13 35.635 0.150 . . . . . A 100 GLU CG . 30102 1 233 . 1 1 20 20 GLU N N 15 121.082 0.150 . . . . . A 100 GLU N . 30102 1 234 . 1 1 21 21 LEU H H 1 7.843 0.015 . . . . . A 101 LEU H . 30102 1 235 . 1 1 21 21 LEU HA H 1 3.862 0.015 . . . . . A 101 LEU HA . 30102 1 236 . 1 1 21 21 LEU HB2 H 1 1.862 0.015 . . . . . A 101 LEU HB2 . 30102 1 237 . 1 1 21 21 LEU HB3 H 1 1.054 0.015 . . . . . A 101 LEU HB3 . 30102 1 238 . 1 1 21 21 LEU HG H 1 1.428 0.015 . . . . . A 101 LEU HG . 30102 1 239 . 1 1 21 21 LEU HD11 H 1 0.815 0.015 . . . . . A 101 LEU HD11 . 30102 1 240 . 1 1 21 21 LEU HD12 H 1 0.815 0.015 . . . . . A 101 LEU HD12 . 30102 1 241 . 1 1 21 21 LEU HD13 H 1 0.815 0.015 . . . . . A 101 LEU HD13 . 30102 1 242 . 1 1 21 21 LEU HD21 H 1 0.699 0.015 . . . . . A 101 LEU HD21 . 30102 1 243 . 1 1 21 21 LEU HD22 H 1 0.699 0.015 . . . . . A 101 LEU HD22 . 30102 1 244 . 1 1 21 21 LEU HD23 H 1 0.699 0.015 . . . . . A 101 LEU HD23 . 30102 1 245 . 1 1 21 21 LEU C C 13 178.911 0.150 . . . . . A 101 LEU C . 30102 1 246 . 1 1 21 21 LEU CA C 13 57.453 0.150 . . . . . A 101 LEU CA . 30102 1 247 . 1 1 21 21 LEU CB C 13 42.292 0.150 . . . . . A 101 LEU CB . 30102 1 248 . 1 1 21 21 LEU CG C 13 26.563 0.150 . . . . . A 101 LEU CG . 30102 1 249 . 1 1 21 21 LEU CD1 C 13 26.54 0.150 . . . . . A 101 LEU CD1 . 30102 1 250 . 1 1 21 21 LEU CD2 C 13 23.961 0.150 . . . . . A 101 LEU CD2 . 30102 1 251 . 1 1 21 21 LEU N N 15 118.156 0.150 . . . . . A 101 LEU N . 30102 1 252 . 1 1 22 22 LEU H H 1 7.919 0.015 . . . . . A 102 LEU H . 30102 1 253 . 1 1 22 22 LEU HA H 1 3.838 0.015 . . . . . A 102 LEU HA . 30102 1 254 . 1 1 22 22 LEU HB2 H 1 1.794 0.015 . . . . . A 102 LEU HB2 . 30102 1 255 . 1 1 22 22 LEU HB3 H 1 1.364 0.015 . . . . . A 102 LEU HB3 . 30102 1 256 . 1 1 22 22 LEU HG H 1 1.571 0.015 . . . . . A 102 LEU HG . 30102 1 257 . 1 1 22 22 LEU HD11 H 1 0.732 0.015 . . . . . A 102 LEU HD11 . 30102 1 258 . 1 1 22 22 LEU HD12 H 1 0.732 0.015 . . . . . A 102 LEU HD12 . 30102 1 259 . 1 1 22 22 LEU HD13 H 1 0.732 0.015 . . . . . A 102 LEU HD13 . 30102 1 260 . 1 1 22 22 LEU HD21 H 1 0.715 0.015 . . . . . A 102 LEU HD21 . 30102 1 261 . 1 1 22 22 LEU HD22 H 1 0.715 0.015 . . . . . A 102 LEU HD22 . 30102 1 262 . 1 1 22 22 LEU HD23 H 1 0.715 0.015 . . . . . A 102 LEU HD23 . 30102 1 263 . 1 1 22 22 LEU C C 13 178.574 0.150 . . . . . A 102 LEU C . 30102 1 264 . 1 1 22 22 LEU CA C 13 57.431 0.150 . . . . . A 102 LEU CA . 30102 1 265 . 1 1 22 22 LEU CB C 13 42.232 0.150 . . . . . A 102 LEU CB . 30102 1 266 . 1 1 22 22 LEU CG C 13 26.398 0.150 . . . . . A 102 LEU CG . 30102 1 267 . 1 1 22 22 LEU CD1 C 13 24.941 0.150 . . . . . A 102 LEU CD1 . 30102 1 268 . 1 1 22 22 LEU CD2 C 13 23.462 0.150 . . . . . A 102 LEU CD2 . 30102 1 269 . 1 1 22 22 LEU N N 15 117.933 0.150 . . . . . A 102 LEU N . 30102 1 270 . 1 1 23 23 ASN H H 1 7.559 0.015 . . . . . A 103 ASN H . 30102 1 271 . 1 1 23 23 ASN HA H 1 4.781 0.015 . . . . . A 103 ASN HA . 30102 1 272 . 1 1 23 23 ASN HB2 H 1 2.877 0.015 . . . . . A 103 ASN HB2 . 30102 1 273 . 1 1 23 23 ASN HB3 H 1 2.709 0.015 . . . . . A 103 ASN HB3 . 30102 1 274 . 1 1 23 23 ASN HD21 H 1 7.633 0.015 . . . . . A 103 ASN HD21 . 30102 1 275 . 1 1 23 23 ASN HD22 H 1 6.935 0.015 . . . . . A 103 ASN HD22 . 30102 1 276 . 1 1 23 23 ASN C C 13 174.776 0.150 . . . . . A 103 ASN C . 30102 1 277 . 1 1 23 23 ASN CA C 13 53.989 0.150 . . . . . A 103 ASN CA . 30102 1 278 . 1 1 23 23 ASN CB C 13 40.445 0.150 . . . . . A 103 ASN CB . 30102 1 279 . 1 1 23 23 ASN N N 15 114.633 0.150 . . . . . A 103 ASN N . 30102 1 280 . 1 1 23 23 ASN ND2 N 15 114.078 0.150 . . . . . A 103 ASN ND2 . 30102 1 281 . 1 1 24 24 ASN H H 1 7.941 0.015 . . . . . A 104 ASN H . 30102 1 282 . 1 1 24 24 ASN HA H 1 4.887 0.015 . . . . . A 104 ASN HA . 30102 1 283 . 1 1 24 24 ASN HB2 H 1 3.2 0.015 . . . . . A 104 ASN HB2 . 30102 1 284 . 1 1 24 24 ASN HB3 H 1 2.734 0.015 . . . . . A 104 ASN HB3 . 30102 1 285 . 1 1 24 24 ASN HD21 H 1 8.189 0.015 . . . . . A 104 ASN HD21 . 30102 1 286 . 1 1 24 24 ASN HD22 H 1 6.921 0.015 . . . . . A 104 ASN HD22 . 30102 1 287 . 1 1 24 24 ASN C C 13 174.1 0.150 . . . . . A 104 ASN C . 30102 1 288 . 1 1 24 24 ASN CA C 13 52.037 0.150 . . . . . A 104 ASN CA . 30102 1 289 . 1 1 24 24 ASN CB C 13 38.443 0.150 . . . . . A 104 ASN CB . 30102 1 290 . 1 1 24 24 ASN N N 15 119.951 0.150 . . . . . A 104 ASN N . 30102 1 291 . 1 1 24 24 ASN ND2 N 15 113.362 0.150 . . . . . A 104 ASN ND2 . 30102 1 292 . 1 1 25 25 GLN H H 1 8.659 0.015 . . . . . A 105 GLN H . 30102 1 293 . 1 1 25 25 GLN HA H 1 3.961 0.015 . . . . . A 105 GLN HA . 30102 1 294 . 1 1 25 25 GLN HB2 H 1 2.159 0.015 . . . . . A 105 GLN HB2 . 30102 1 295 . 1 1 25 25 GLN HB3 H 1 2.159 0.015 . . . . . A 105 GLN HB3 . 30102 1 296 . 1 1 25 25 GLN HG2 H 1 2.465 0.015 . . . . . A 105 GLN HG2 . 30102 1 297 . 1 1 25 25 GLN HG3 H 1 2.465 0.015 . . . . . A 105 GLN HG3 . 30102 1 298 . 1 1 25 25 GLN C C 13 178.303 0.150 . . . . . A 105 GLN C . 30102 1 299 . 1 1 25 25 GLN CA C 13 59.161 0.150 . . . . . A 105 GLN CA . 30102 1 300 . 1 1 25 25 GLN CB C 13 28.362 0.150 . . . . . A 105 GLN CB . 30102 1 301 . 1 1 25 25 GLN CG C 13 33.667 0.150 . . . . . A 105 GLN CG . 30102 1 302 . 1 1 25 25 GLN N N 15 123.761 0.150 . . . . . A 105 GLN N . 30102 1 303 . 1 1 26 26 MET H H 1 8.457 0.015 . . . . . A 106 MET H . 30102 1 304 . 1 1 26 26 MET HA H 1 4.266 0.015 . . . . . A 106 MET HA . 30102 1 305 . 1 1 26 26 MET HB2 H 1 2.249 0.015 . . . . . A 106 MET HB2 . 30102 1 306 . 1 1 26 26 MET HB3 H 1 2.164 0.015 . . . . . A 106 MET HB3 . 30102 1 307 . 1 1 26 26 MET HG2 H 1 2.602 0.015 . . . . . A 106 MET HG2 . 30102 1 308 . 1 1 26 26 MET HG3 H 1 2.68 0.015 . . . . . A 106 MET HG3 . 30102 1 309 . 1 1 26 26 MET HE1 H 1 2.135 0.015 . . . . . A 106 MET HE1 . 30102 1 310 . 1 1 26 26 MET HE2 H 1 2.135 0.015 . . . . . A 106 MET HE2 . 30102 1 311 . 1 1 26 26 MET HE3 H 1 2.135 0.015 . . . . . A 106 MET HE3 . 30102 1 312 . 1 1 26 26 MET C C 13 178.642 0.150 . . . . . A 106 MET C . 30102 1 313 . 1 1 26 26 MET CA C 13 58.717 0.150 . . . . . A 106 MET CA . 30102 1 314 . 1 1 26 26 MET CB C 13 31.773 0.150 . . . . . A 106 MET CB . 30102 1 315 . 1 1 26 26 MET CG C 13 32.288 0.150 . . . . . A 106 MET CG . 30102 1 316 . 1 1 26 26 MET CE C 13 17.132 0.150 . . . . . A 106 MET CE . 30102 1 317 . 1 1 26 26 MET N N 15 120.052 0.150 . . . . . A 106 MET N . 30102 1 318 . 1 1 27 27 LEU H H 1 7.55 0.015 . . . . . A 107 LEU H . 30102 1 319 . 1 1 27 27 LEU HA H 1 4.167 0.015 . . . . . A 107 LEU HA . 30102 1 320 . 1 1 27 27 LEU HB2 H 1 1.621 0.015 . . . . . A 107 LEU HB2 . 30102 1 321 . 1 1 27 27 LEU HB3 H 1 1.512 0.015 . . . . . A 107 LEU HB3 . 30102 1 322 . 1 1 27 27 LEU HG H 1 1.497 0.015 . . . . . A 107 LEU HG . 30102 1 323 . 1 1 27 27 LEU HD11 H 1 0.983 0.015 . . . . . A 107 LEU HD11 . 30102 1 324 . 1 1 27 27 LEU HD12 H 1 0.983 0.015 . . . . . A 107 LEU HD12 . 30102 1 325 . 1 1 27 27 LEU HD13 H 1 0.983 0.015 . . . . . A 107 LEU HD13 . 30102 1 326 . 1 1 27 27 LEU HD21 H 1 0.849 0.015 . . . . . A 107 LEU HD21 . 30102 1 327 . 1 1 27 27 LEU HD22 H 1 0.849 0.015 . . . . . A 107 LEU HD22 . 30102 1 328 . 1 1 27 27 LEU HD23 H 1 0.849 0.015 . . . . . A 107 LEU HD23 . 30102 1 329 . 1 1 27 27 LEU C C 13 178.834 0.150 . . . . . A 107 LEU C . 30102 1 330 . 1 1 27 27 LEU CA C 13 57.312 0.150 . . . . . A 107 LEU CA . 30102 1 331 . 1 1 27 27 LEU CB C 13 42.413 0.150 . . . . . A 107 LEU CB . 30102 1 332 . 1 1 27 27 LEU CG C 13 27.092 0.150 . . . . . A 107 LEU CG . 30102 1 333 . 1 1 27 27 LEU CD1 C 13 23.431 0.150 . . . . . A 107 LEU CD1 . 30102 1 334 . 1 1 27 27 LEU CD2 C 13 25.77 0.150 . . . . . A 107 LEU CD2 . 30102 1 335 . 1 1 27 27 LEU N N 15 121.463 0.150 . . . . . A 107 LEU N . 30102 1 336 . 1 1 28 28 ARG H H 1 8.25 0.015 . . . . . A 108 ARG H . 30102 1 337 . 1 1 28 28 ARG HA H 1 3.771 0.015 . . . . . A 108 ARG HA . 30102 1 338 . 1 1 28 28 ARG HB2 H 1 2.227 0.015 . . . . . A 108 ARG HB2 . 30102 1 339 . 1 1 28 28 ARG HB3 H 1 1.951 0.015 . . . . . A 108 ARG HB3 . 30102 1 340 . 1 1 28 28 ARG HG2 H 1 1.608 0.015 . . . . . A 108 ARG HG2 . 30102 1 341 . 1 1 28 28 ARG HG3 H 1 1.608 0.015 . . . . . A 108 ARG HG3 . 30102 1 342 . 1 1 28 28 ARG HD2 H 1 3.303 0.015 . . . . . A 108 ARG HD2 . 30102 1 343 . 1 1 28 28 ARG HD3 H 1 3.17 0.015 . . . . . A 108 ARG HD3 . 30102 1 344 . 1 1 28 28 ARG C C 13 177.857 0.150 . . . . . A 108 ARG C . 30102 1 345 . 1 1 28 28 ARG CA C 13 60.747 0.150 . . . . . A 108 ARG CA . 30102 1 346 . 1 1 28 28 ARG CB C 13 30.197 0.150 . . . . . A 108 ARG CB . 30102 1 347 . 1 1 28 28 ARG CG C 13 28.395 0.150 . . . . . A 108 ARG CG . 30102 1 348 . 1 1 28 28 ARG CD C 13 43.726 0.150 . . . . . A 108 ARG CD . 30102 1 349 . 1 1 28 28 ARG N N 15 118.241 0.150 . . . . . A 108 ARG N . 30102 1 350 . 1 1 29 29 SER H H 1 8.329 0.015 . . . . . A 109 SER H . 30102 1 351 . 1 1 29 29 SER HA H 1 4.202 0.015 . . . . . A 109 SER HA . 30102 1 352 . 1 1 29 29 SER HB2 H 1 4.083 0.015 . . . . . A 109 SER HB2 . 30102 1 353 . 1 1 29 29 SER HB3 H 1 4.059 0.015 . . . . . A 109 SER HB3 . 30102 1 354 . 1 1 29 29 SER C C 13 175.949 0.150 . . . . . A 109 SER C . 30102 1 355 . 1 1 29 29 SER CA C 13 62.012 0.150 . . . . . A 109 SER CA . 30102 1 356 . 1 1 29 29 SER CB C 13 63.098 0.150 . . . . . A 109 SER CB . 30102 1 357 . 1 1 29 29 SER N N 15 112.518 0.150 . . . . . A 109 SER N . 30102 1 358 . 1 1 30 30 GLN H H 1 7.641 0.015 . . . . . A 110 GLN H . 30102 1 359 . 1 1 30 30 GLN HA H 1 4.263 0.015 . . . . . A 110 GLN HA . 30102 1 360 . 1 1 30 30 GLN HB2 H 1 2.294 0.015 . . . . . A 110 GLN HB2 . 30102 1 361 . 1 1 30 30 GLN HB3 H 1 2.182 0.015 . . . . . A 110 GLN HB3 . 30102 1 362 . 1 1 30 30 GLN HG2 H 1 2.567 0.015 . . . . . A 110 GLN HG2 . 30102 1 363 . 1 1 30 30 GLN HG3 H 1 2.432 0.015 . . . . . A 110 GLN HG3 . 30102 1 364 . 1 1 30 30 GLN HE21 H 1 7.38 0.015 . . . . . A 110 GLN HE21 . 30102 1 365 . 1 1 30 30 GLN HE22 H 1 6.785 0.015 . . . . . A 110 GLN HE22 . 30102 1 366 . 1 1 30 30 GLN C C 13 178.545 0.150 . . . . . A 110 GLN C . 30102 1 367 . 1 1 30 30 GLN CA C 13 58.147 0.150 . . . . . A 110 GLN CA . 30102 1 368 . 1 1 30 30 GLN CB C 13 28.978 0.150 . . . . . A 110 GLN CB . 30102 1 369 . 1 1 30 30 GLN CG C 13 34.023 0.150 . . . . . A 110 GLN CG . 30102 1 370 . 1 1 30 30 GLN N N 15 119.713 0.150 . . . . . A 110 GLN N . 30102 1 371 . 1 1 30 30 GLN NE2 N 15 110.814 0.150 . . . . . A 110 GLN NE2 . 30102 1 372 . 1 1 31 31 LEU H H 1 8.162 0.015 . . . . . A 111 LEU H . 30102 1 373 . 1 1 31 31 LEU HA H 1 4.296 0.015 . . . . . A 111 LEU HA . 30102 1 374 . 1 1 31 31 LEU HB2 H 1 1.761 0.015 . . . . . A 111 LEU HB2 . 30102 1 375 . 1 1 31 31 LEU HB3 H 1 1.573 0.015 . . . . . A 111 LEU HB3 . 30102 1 376 . 1 1 31 31 LEU HG H 1 1.864 0.015 . . . . . A 111 LEU HG . 30102 1 377 . 1 1 31 31 LEU HD11 H 1 0.973 0.015 . . . . . A 111 LEU HD11 . 30102 1 378 . 1 1 31 31 LEU HD12 H 1 0.973 0.015 . . . . . A 111 LEU HD12 . 30102 1 379 . 1 1 31 31 LEU HD13 H 1 0.973 0.015 . . . . . A 111 LEU HD13 . 30102 1 380 . 1 1 31 31 LEU HD21 H 1 0.935 0.015 . . . . . A 111 LEU HD21 . 30102 1 381 . 1 1 31 31 LEU HD22 H 1 0.935 0.015 . . . . . A 111 LEU HD22 . 30102 1 382 . 1 1 31 31 LEU HD23 H 1 0.935 0.015 . . . . . A 111 LEU HD23 . 30102 1 383 . 1 1 31 31 LEU C C 13 179.321 0.150 . . . . . A 111 LEU C . 30102 1 384 . 1 1 31 31 LEU CA C 13 57.3 0.150 . . . . . A 111 LEU CA . 30102 1 385 . 1 1 31 31 LEU CB C 13 42.418 0.150 . . . . . A 111 LEU CB . 30102 1 386 . 1 1 31 31 LEU CG C 13 27.672 0.150 . . . . . A 111 LEU CG . 30102 1 387 . 1 1 31 31 LEU CD1 C 13 25.452 0.150 . . . . . A 111 LEU CD1 . 30102 1 388 . 1 1 31 31 LEU CD2 C 13 23.798 0.150 . . . . . A 111 LEU CD2 . 30102 1 389 . 1 1 31 31 LEU N N 15 119.513 0.150 . . . . . A 111 LEU N . 30102 1 390 . 1 1 32 32 ILE H H 1 8.268 0.015 . . . . . A 112 ILE H . 30102 1 391 . 1 1 32 32 ILE HA H 1 4.061 0.015 . . . . . A 112 ILE HA . 30102 1 392 . 1 1 32 32 ILE HB H 1 2.005 0.015 . . . . . A 112 ILE HB . 30102 1 393 . 1 1 32 32 ILE HG12 H 1 1.751 0.015 . . . . . A 112 ILE HG12 . 30102 1 394 . 1 1 32 32 ILE HG13 H 1 1.345 0.015 . . . . . A 112 ILE HG13 . 30102 1 395 . 1 1 32 32 ILE HG21 H 1 1.03 0.015 . . . . . A 112 ILE HG21 . 30102 1 396 . 1 1 32 32 ILE HG22 H 1 1.03 0.015 . . . . . A 112 ILE HG22 . 30102 1 397 . 1 1 32 32 ILE HG23 H 1 1.03 0.015 . . . . . A 112 ILE HG23 . 30102 1 398 . 1 1 32 32 ILE HD11 H 1 0.955 0.015 . . . . . A 112 ILE HD11 . 30102 1 399 . 1 1 32 32 ILE HD12 H 1 0.955 0.015 . . . . . A 112 ILE HD12 . 30102 1 400 . 1 1 32 32 ILE HD13 H 1 0.955 0.015 . . . . . A 112 ILE HD13 . 30102 1 401 . 1 1 32 32 ILE C C 13 176.72 0.150 . . . . . A 112 ILE C . 30102 1 402 . 1 1 32 32 ILE CA C 13 63.935 0.150 . . . . . A 112 ILE CA . 30102 1 403 . 1 1 32 32 ILE CB C 13 38.295 0.150 . . . . . A 112 ILE CB . 30102 1 404 . 1 1 32 32 ILE CG1 C 13 29.706 0.150 . . . . . A 112 ILE CG1 . 30102 1 405 . 1 1 32 32 ILE CG2 C 13 17.572 0.150 . . . . . A 112 ILE CG2 . 30102 1 406 . 1 1 32 32 ILE CD1 C 13 14.418 0.150 . . . . . A 112 ILE CD1 . 30102 1 407 . 1 1 32 32 ILE N N 15 119.797 0.150 . . . . . A 112 ILE N . 30102 1 408 . 1 1 33 33 LEU H H 1 7.177 0.015 . . . . . A 113 LEU H . 30102 1 409 . 1 1 33 33 LEU HA H 1 4.202 0.015 . . . . . A 113 LEU HA . 30102 1 410 . 1 1 33 33 LEU HB2 H 1 1.917 0.015 . . . . . A 113 LEU HB2 . 30102 1 411 . 1 1 33 33 LEU HB3 H 1 1.635 0.015 . . . . . A 113 LEU HB3 . 30102 1 412 . 1 1 33 33 LEU HG H 1 1.852 0.015 . . . . . A 113 LEU HG . 30102 1 413 . 1 1 33 33 LEU HD11 H 1 1.021 0.015 . . . . . A 113 LEU HD11 . 30102 1 414 . 1 1 33 33 LEU HD12 H 1 1.021 0.015 . . . . . A 113 LEU HD12 . 30102 1 415 . 1 1 33 33 LEU HD13 H 1 1.021 0.015 . . . . . A 113 LEU HD13 . 30102 1 416 . 1 1 33 33 LEU HD21 H 1 0.935 0.015 . . . . . A 113 LEU HD21 . 30102 1 417 . 1 1 33 33 LEU HD22 H 1 0.935 0.015 . . . . . A 113 LEU HD22 . 30102 1 418 . 1 1 33 33 LEU HD23 H 1 0.935 0.015 . . . . . A 113 LEU HD23 . 30102 1 419 . 1 1 33 33 LEU C C 13 178.197 0.150 . . . . . A 113 LEU C . 30102 1 420 . 1 1 33 33 LEU CA C 13 56.766 0.150 . . . . . A 113 LEU CA . 30102 1 421 . 1 1 33 33 LEU CB C 13 41.748 0.150 . . . . . A 113 LEU CB . 30102 1 422 . 1 1 33 33 LEU CG C 13 27.031 0.150 . . . . . A 113 LEU CG . 30102 1 423 . 1 1 33 33 LEU CD1 C 13 25.201 0.150 . . . . . A 113 LEU CD1 . 30102 1 424 . 1 1 33 33 LEU CD2 C 13 22.834 0.150 . . . . . A 113 LEU CD2 . 30102 1 425 . 1 1 33 33 LEU N N 15 117.665 0.150 . . . . . A 113 LEU N . 30102 1 426 . 1 1 34 34 GLN H H 1 7.394 0.015 . . . . . A 114 GLN H . 30102 1 427 . 1 1 34 34 GLN HA H 1 4.456 0.015 . . . . . A 114 GLN HA . 30102 1 428 . 1 1 34 34 GLN HB2 H 1 2.276 0.015 . . . . . A 114 GLN HB2 . 30102 1 429 . 1 1 34 34 GLN HB3 H 1 2.082 0.015 . . . . . A 114 GLN HB3 . 30102 1 430 . 1 1 34 34 GLN HG2 H 1 2.427 0.015 . . . . . A 114 GLN HG2 . 30102 1 431 . 1 1 34 34 GLN HG3 H 1 2.427 0.015 . . . . . A 114 GLN HG3 . 30102 1 432 . 1 1 34 34 GLN HE21 H 1 7.498 0.015 . . . . . A 114 GLN HE21 . 30102 1 433 . 1 1 34 34 GLN HE22 H 1 6.785 0.015 . . . . . A 114 GLN HE22 . 30102 1 434 . 1 1 34 34 GLN C C 13 175.79 0.150 . . . . . A 114 GLN C . 30102 1 435 . 1 1 34 34 GLN CA C 13 56.611 0.150 . . . . . A 114 GLN CA . 30102 1 436 . 1 1 34 34 GLN CB C 13 30.93 0.150 . . . . . A 114 GLN CB . 30102 1 437 . 1 1 34 34 GLN CG C 13 34.08 0.150 . . . . . A 114 GLN CG . 30102 1 438 . 1 1 34 34 GLN N N 15 114.895 0.150 . . . . . A 114 GLN N . 30102 1 439 . 1 1 34 34 GLN NE2 N 15 110.766 0.150 . . . . . A 114 GLN NE2 . 30102 1 440 . 1 1 35 35 ILE H H 1 7.988 0.015 . . . . . A 115 ILE H . 30102 1 441 . 1 1 35 35 ILE HA H 1 4.526 0.015 . . . . . A 115 ILE HA . 30102 1 442 . 1 1 35 35 ILE HB H 1 1.971 0.015 . . . . . A 115 ILE HB . 30102 1 443 . 1 1 35 35 ILE HG12 H 1 1.558 0.015 . . . . . A 115 ILE HG12 . 30102 1 444 . 1 1 35 35 ILE HG13 H 1 1.129 0.015 . . . . . A 115 ILE HG13 . 30102 1 445 . 1 1 35 35 ILE HG21 H 1 0.824 0.015 . . . . . A 115 ILE HG21 . 30102 1 446 . 1 1 35 35 ILE HG22 H 1 0.824 0.015 . . . . . A 115 ILE HG22 . 30102 1 447 . 1 1 35 35 ILE HG23 H 1 0.824 0.015 . . . . . A 115 ILE HG23 . 30102 1 448 . 1 1 35 35 ILE HD11 H 1 0.864 0.015 . . . . . A 115 ILE HD11 . 30102 1 449 . 1 1 35 35 ILE HD12 H 1 0.864 0.015 . . . . . A 115 ILE HD12 . 30102 1 450 . 1 1 35 35 ILE HD13 H 1 0.864 0.015 . . . . . A 115 ILE HD13 . 30102 1 451 . 1 1 35 35 ILE C C 13 180.477 0.150 . . . . . A 115 ILE C . 30102 1 452 . 1 1 35 35 ILE CA C 13 58.145 0.150 . . . . . A 115 ILE CA . 30102 1 453 . 1 1 35 35 ILE CB C 13 38.549 0.150 . . . . . A 115 ILE CB . 30102 1 454 . 1 1 35 35 ILE CG1 C 13 26.466 0.150 . . . . . A 115 ILE CG1 . 30102 1 455 . 1 1 35 35 ILE CG2 C 13 17.971 0.150 . . . . . A 115 ILE CG2 . 30102 1 456 . 1 1 35 35 ILE CD1 C 13 13.676 0.150 . . . . . A 115 ILE CD1 . 30102 1 457 . 1 1 35 35 ILE N N 15 119.638 0.150 . . . . . A 115 ILE N . 30102 1 458 . 1 1 36 36 PRO HA H 1 4.548 0.015 . . . . . A 116 PRO HA . 30102 1 459 . 1 1 36 36 PRO HB2 H 1 2.401 0.015 . . . . . A 116 PRO HB2 . 30102 1 460 . 1 1 36 36 PRO HB3 H 1 1.952 0.015 . . . . . A 116 PRO HB3 . 30102 1 461 . 1 1 36 36 PRO HG2 H 1 2.13 0.015 . . . . . A 116 PRO HG2 . 30102 1 462 . 1 1 36 36 PRO HG3 H 1 2.009 0.015 . . . . . A 116 PRO HG3 . 30102 1 463 . 1 1 36 36 PRO HD2 H 1 3.72 0.015 . . . . . A 116 PRO HD2 . 30102 1 464 . 1 1 36 36 PRO HD3 H 1 3.72 0.015 . . . . . A 116 PRO HD3 . 30102 1 465 . 1 1 36 36 PRO C C 13 178.452 0.150 . . . . . A 116 PRO C . 30102 1 466 . 1 1 36 36 PRO CA C 13 64.285 0.150 . . . . . A 116 PRO CA . 30102 1 467 . 1 1 36 36 PRO CB C 13 31.784 0.150 . . . . . A 116 PRO CB . 30102 1 468 . 1 1 36 36 PRO CG C 13 27.588 0.150 . . . . . A 116 PRO CG . 30102 1 469 . 1 1 36 36 PRO CD C 13 50.782 0.150 . . . . . A 116 PRO CD . 30102 1 470 . 1 1 37 37 GLY H H 1 8.807 0.015 . . . . . A 117 GLY H . 30102 1 471 . 1 1 37 37 GLY HA2 H 1 4.185 0.015 . . . . . A 117 GLY HA2 . 30102 1 472 . 1 1 37 37 GLY HA3 H 1 4.029 0.015 . . . . . A 117 GLY HA3 . 30102 1 473 . 1 1 37 37 GLY C C 13 176.36 0.150 . . . . . A 117 GLY C . 30102 1 474 . 1 1 37 37 GLY CA C 13 45.761 0.150 . . . . . A 117 GLY CA . 30102 1 475 . 1 1 37 37 GLY N N 15 108.868 0.150 . . . . . A 117 GLY N . 30102 1 476 . 1 1 38 38 LEU H H 1 7.873 0.015 . . . . . A 118 LEU H . 30102 1 477 . 1 1 38 38 LEU HA H 1 3.954 0.015 . . . . . A 118 LEU HA . 30102 1 478 . 1 1 38 38 LEU HB2 H 1 1.966 0.015 . . . . . A 118 LEU HB2 . 30102 1 479 . 1 1 38 38 LEU HB3 H 1 1.816 0.015 . . . . . A 118 LEU HB3 . 30102 1 480 . 1 1 38 38 LEU HG H 1 1.701 0.015 . . . . . A 118 LEU HG . 30102 1 481 . 1 1 38 38 LEU HD11 H 1 1.031 0.015 . . . . . A 118 LEU HD11 . 30102 1 482 . 1 1 38 38 LEU HD12 H 1 1.031 0.015 . . . . . A 118 LEU HD12 . 30102 1 483 . 1 1 38 38 LEU HD13 H 1 1.031 0.015 . . . . . A 118 LEU HD13 . 30102 1 484 . 1 1 38 38 LEU HD21 H 1 0.979 0.015 . . . . . A 118 LEU HD21 . 30102 1 485 . 1 1 38 38 LEU HD22 H 1 0.979 0.015 . . . . . A 118 LEU HD22 . 30102 1 486 . 1 1 38 38 LEU HD23 H 1 0.979 0.015 . . . . . A 118 LEU HD23 . 30102 1 487 . 1 1 38 38 LEU C C 13 177.658 0.150 . . . . . A 118 LEU C . 30102 1 488 . 1 1 38 38 LEU CA C 13 58.525 0.150 . . . . . A 118 LEU CA . 30102 1 489 . 1 1 38 38 LEU CB C 13 42.398 0.150 . . . . . A 118 LEU CB . 30102 1 490 . 1 1 38 38 LEU CG C 13 26.923 0.150 . . . . . A 118 LEU CG . 30102 1 491 . 1 1 38 38 LEU CD1 C 13 24.197 0.150 . . . . . A 118 LEU CD1 . 30102 1 492 . 1 1 38 38 LEU CD2 C 13 26.985 0.150 . . . . . A 118 LEU CD2 . 30102 1 493 . 1 1 38 38 LEU N N 15 120.751 0.150 . . . . . A 118 LEU N . 30102 1 494 . 1 1 39 39 ASN H H 1 8.785 0.015 . . . . . A 119 ASN H . 30102 1 495 . 1 1 39 39 ASN HA H 1 4.384 0.015 . . . . . A 119 ASN HA . 30102 1 496 . 1 1 39 39 ASN HB2 H 1 2.776 0.015 . . . . . A 119 ASN HB2 . 30102 1 497 . 1 1 39 39 ASN HB3 H 1 2.776 0.015 . . . . . A 119 ASN HB3 . 30102 1 498 . 1 1 39 39 ASN HD21 H 1 7.63 0.015 . . . . . A 119 ASN HD21 . 30102 1 499 . 1 1 39 39 ASN HD22 H 1 6.852 0.015 . . . . . A 119 ASN HD22 . 30102 1 500 . 1 1 39 39 ASN C C 13 176.575 0.150 . . . . . A 119 ASN C . 30102 1 501 . 1 1 39 39 ASN CA C 13 56.441 0.150 . . . . . A 119 ASN CA . 30102 1 502 . 1 1 39 39 ASN CB C 13 38.085 0.150 . . . . . A 119 ASN CB . 30102 1 503 . 1 1 39 39 ASN N N 15 114.655 0.150 . . . . . A 119 ASN N . 30102 1 504 . 1 1 39 39 ASN ND2 N 15 112.868 0.150 . . . . . A 119 ASN ND2 . 30102 1 505 . 1 1 40 40 ASP H H 1 7.64 0.015 . . . . . A 120 ASP H . 30102 1 506 . 1 1 40 40 ASP HA H 1 4.676 0.015 . . . . . A 120 ASP HA . 30102 1 507 . 1 1 40 40 ASP HB2 H 1 2.776 0.015 . . . . . A 120 ASP HB2 . 30102 1 508 . 1 1 40 40 ASP HB3 H 1 2.688 0.015 . . . . . A 120 ASP HB3 . 30102 1 509 . 1 1 40 40 ASP C C 13 177.921 0.150 . . . . . A 120 ASP C . 30102 1 510 . 1 1 40 40 ASP CA C 13 56.184 0.150 . . . . . A 120 ASP CA . 30102 1 511 . 1 1 40 40 ASP CB C 13 41.167 0.150 . . . . . A 120 ASP CB . 30102 1 512 . 1 1 40 40 ASP N N 15 116.327 0.150 . . . . . A 120 ASP N . 30102 1 513 . 1 1 41 41 LEU H H 1 7.756 0.015 . . . . . A 121 LEU H . 30102 1 514 . 1 1 41 41 LEU HA H 1 4.351 0.015 . . . . . A 121 LEU HA . 30102 1 515 . 1 1 41 41 LEU HB2 H 1 1.959 0.015 . . . . . A 121 LEU HB2 . 30102 1 516 . 1 1 41 41 LEU HB3 H 1 1.554 0.015 . . . . . A 121 LEU HB3 . 30102 1 517 . 1 1 41 41 LEU HG H 1 1.86 0.015 . . . . . A 121 LEU HG . 30102 1 518 . 1 1 41 41 LEU HD11 H 1 0.864 0.015 . . . . . A 121 LEU HD11 . 30102 1 519 . 1 1 41 41 LEU HD12 H 1 0.864 0.015 . . . . . A 121 LEU HD12 . 30102 1 520 . 1 1 41 41 LEU HD13 H 1 0.864 0.015 . . . . . A 121 LEU HD13 . 30102 1 521 . 1 1 41 41 LEU HD21 H 1 0.864 0.015 . . . . . A 121 LEU HD21 . 30102 1 522 . 1 1 41 41 LEU HD22 H 1 0.864 0.015 . . . . . A 121 LEU HD22 . 30102 1 523 . 1 1 41 41 LEU HD23 H 1 0.864 0.015 . . . . . A 121 LEU HD23 . 30102 1 524 . 1 1 41 41 LEU C C 13 178.13 0.150 . . . . . A 121 LEU C . 30102 1 525 . 1 1 41 41 LEU CA C 13 57.14 0.150 . . . . . A 121 LEU CA . 30102 1 526 . 1 1 41 41 LEU CB C 13 44.055 0.150 . . . . . A 121 LEU CB . 30102 1 527 . 1 1 41 41 LEU CG C 13 26.724 0.150 . . . . . A 121 LEU CG . 30102 1 528 . 1 1 41 41 LEU CD1 C 13 25.433 0.150 . . . . . A 121 LEU CD1 . 30102 1 529 . 1 1 41 41 LEU CD2 C 13 24.145 0.150 . . . . . A 121 LEU CD2 . 30102 1 530 . 1 1 41 41 LEU N N 15 118.994 0.150 . . . . . A 121 LEU N . 30102 1 531 . 1 1 42 42 VAL H H 1 7.872 0.015 . . . . . A 122 VAL H . 30102 1 532 . 1 1 42 42 VAL HA H 1 3.697 0.015 . . . . . A 122 VAL HA . 30102 1 533 . 1 1 42 42 VAL HB H 1 2.104 0.015 . . . . . A 122 VAL HB . 30102 1 534 . 1 1 42 42 VAL HG11 H 1 0.879 0.015 . . . . . A 122 VAL HG11 . 30102 1 535 . 1 1 42 42 VAL HG12 H 1 0.879 0.015 . . . . . A 122 VAL HG12 . 30102 1 536 . 1 1 42 42 VAL HG13 H 1 0.879 0.015 . . . . . A 122 VAL HG13 . 30102 1 537 . 1 1 42 42 VAL HG21 H 1 0.893 0.015 . . . . . A 122 VAL HG21 . 30102 1 538 . 1 1 42 42 VAL HG22 H 1 0.893 0.015 . . . . . A 122 VAL HG22 . 30102 1 539 . 1 1 42 42 VAL HG23 H 1 0.893 0.015 . . . . . A 122 VAL HG23 . 30102 1 540 . 1 1 42 42 VAL C C 13 174.7 0.150 . . . . . A 122 VAL C . 30102 1 541 . 1 1 42 42 VAL CA C 13 64.361 0.150 . . . . . A 122 VAL CA . 30102 1 542 . 1 1 42 42 VAL CB C 13 31.899 0.150 . . . . . A 122 VAL CB . 30102 1 543 . 1 1 42 42 VAL CG1 C 13 21.809 0.150 . . . . . A 122 VAL CG1 . 30102 1 544 . 1 1 42 42 VAL CG2 C 13 21.245 0.150 . . . . . A 122 VAL CG2 . 30102 1 545 . 1 1 42 42 VAL N N 15 111.503 0.150 . . . . . A 122 VAL N . 30102 1 546 . 1 1 43 43 ASN H H 1 7.441 0.015 . . . . . A 123 ASN H . 30102 1 547 . 1 1 43 43 ASN HA H 1 4.597 0.015 . . . . . A 123 ASN HA . 30102 1 548 . 1 1 43 43 ASN HB2 H 1 2.98 0.015 . . . . . A 123 ASN HB2 . 30102 1 549 . 1 1 43 43 ASN HB3 H 1 2.719 0.015 . . . . . A 123 ASN HB3 . 30102 1 550 . 1 1 43 43 ASN HD21 H 1 7.653 0.015 . . . . . A 123 ASN HD21 . 30102 1 551 . 1 1 43 43 ASN HD22 H 1 6.759 0.015 . . . . . A 123 ASN HD22 . 30102 1 552 . 1 1 43 43 ASN C C 13 173.928 0.150 . . . . . A 123 ASN C . 30102 1 553 . 1 1 43 43 ASN CA C 13 53.944 0.150 . . . . . A 123 ASN CA . 30102 1 554 . 1 1 43 43 ASN CB C 13 39.452 0.150 . . . . . A 123 ASN CB . 30102 1 555 . 1 1 43 43 ASN N N 15 114.526 0.150 . . . . . A 123 ASN N . 30102 1 556 . 1 1 43 43 ASN ND2 N 15 113.812 0.150 . . . . . A 123 ASN ND2 . 30102 1 557 . 1 1 44 44 ASP H H 1 7.591 0.015 . . . . . A 124 ASP H . 30102 1 558 . 1 1 44 44 ASP HA H 1 5.306 0.015 . . . . . A 124 ASP HA . 30102 1 559 . 1 1 44 44 ASP HB2 H 1 3.113 0.015 . . . . . A 124 ASP HB2 . 30102 1 560 . 1 1 44 44 ASP HB3 H 1 2.506 0.015 . . . . . A 124 ASP HB3 . 30102 1 561 . 1 1 44 44 ASP C C 13 173.19 0.150 . . . . . A 124 ASP C . 30102 1 562 . 1 1 44 44 ASP CA C 13 50.54 0.150 . . . . . A 124 ASP CA . 30102 1 563 . 1 1 44 44 ASP CB C 13 43.803 0.150 . . . . . A 124 ASP CB . 30102 1 564 . 1 1 44 44 ASP N N 15 120.764 0.150 . . . . . A 124 ASP N . 30102 1 565 . 1 1 45 45 PRO HA H 1 4.014 0.015 . . . . . A 125 PRO HA . 30102 1 566 . 1 1 45 45 PRO HB2 H 1 2.519 0.015 . . . . . A 125 PRO HB2 . 30102 1 567 . 1 1 45 45 PRO HB3 H 1 2.017 0.015 . . . . . A 125 PRO HB3 . 30102 1 568 . 1 1 45 45 PRO HG2 H 1 2.076 0.015 . . . . . A 125 PRO HG2 . 30102 1 569 . 1 1 45 45 PRO HG3 H 1 2.167 0.015 . . . . . A 125 PRO HG3 . 30102 1 570 . 1 1 45 45 PRO HD2 H 1 4.088 0.015 . . . . . A 125 PRO HD2 . 30102 1 571 . 1 1 45 45 PRO HD3 H 1 3.649 0.015 . . . . . A 125 PRO HD3 . 30102 1 572 . 1 1 45 45 PRO C C 13 179.291 0.150 . . . . . A 125 PRO C . 30102 1 573 . 1 1 45 45 PRO CA C 13 65.414 0.150 . . . . . A 125 PRO CA . 30102 1 574 . 1 1 45 45 PRO CB C 13 32.257 0.150 . . . . . A 125 PRO CB . 30102 1 575 . 1 1 45 45 PRO CG C 13 27.12 0.150 . . . . . A 125 PRO CG . 30102 1 576 . 1 1 45 45 PRO CD C 13 50.745 0.150 . . . . . A 125 PRO CD . 30102 1 577 . 1 1 46 46 LEU H H 1 7.807 0.015 . . . . . A 126 LEU H . 30102 1 578 . 1 1 46 46 LEU HA H 1 4.297 0.015 . . . . . A 126 LEU HA . 30102 1 579 . 1 1 46 46 LEU HB2 H 1 1.859 0.015 . . . . . A 126 LEU HB2 . 30102 1 580 . 1 1 46 46 LEU HB3 H 1 1.753 0.015 . . . . . A 126 LEU HB3 . 30102 1 581 . 1 1 46 46 LEU HG H 1 1.701 0.015 . . . . . A 126 LEU HG . 30102 1 582 . 1 1 46 46 LEU HD11 H 1 1.017 0.015 . . . . . A 126 LEU HD11 . 30102 1 583 . 1 1 46 46 LEU HD12 H 1 1.017 0.015 . . . . . A 126 LEU HD12 . 30102 1 584 . 1 1 46 46 LEU HD13 H 1 1.017 0.015 . . . . . A 126 LEU HD13 . 30102 1 585 . 1 1 46 46 LEU HD21 H 1 0.931 0.015 . . . . . A 126 LEU HD21 . 30102 1 586 . 1 1 46 46 LEU HD22 H 1 0.931 0.015 . . . . . A 126 LEU HD22 . 30102 1 587 . 1 1 46 46 LEU HD23 H 1 0.931 0.015 . . . . . A 126 LEU HD23 . 30102 1 588 . 1 1 46 46 LEU C C 13 179.116 0.150 . . . . . A 126 LEU C . 30102 1 589 . 1 1 46 46 LEU CA C 13 57.733 0.150 . . . . . A 126 LEU CA . 30102 1 590 . 1 1 46 46 LEU CB C 13 41.48 0.150 . . . . . A 126 LEU CB . 30102 1 591 . 1 1 46 46 LEU CG C 13 27.55 0.150 . . . . . A 126 LEU CG . 30102 1 592 . 1 1 46 46 LEU CD1 C 13 24.544 0.150 . . . . . A 126 LEU CD1 . 30102 1 593 . 1 1 46 46 LEU CD2 C 13 23.738 0.150 . . . . . A 126 LEU CD2 . 30102 1 594 . 1 1 46 46 LEU N N 15 118.02 0.150 . . . . . A 126 LEU N . 30102 1 595 . 1 1 47 47 LEU H H 1 8.003 0.015 . . . . . A 127 LEU H . 30102 1 596 . 1 1 47 47 LEU HA H 1 4.194 0.015 . . . . . A 127 LEU HA . 30102 1 597 . 1 1 47 47 LEU HB2 H 1 1.731 0.015 . . . . . A 127 LEU HB2 . 30102 1 598 . 1 1 47 47 LEU HB3 H 1 1.655 0.015 . . . . . A 127 LEU HB3 . 30102 1 599 . 1 1 47 47 LEU HG H 1 1.691 0.015 . . . . . A 127 LEU HG . 30102 1 600 . 1 1 47 47 LEU HD11 H 1 0.97 0.015 . . . . . A 127 LEU HD11 . 30102 1 601 . 1 1 47 47 LEU HD12 H 1 0.97 0.015 . . . . . A 127 LEU HD12 . 30102 1 602 . 1 1 47 47 LEU HD13 H 1 0.97 0.015 . . . . . A 127 LEU HD13 . 30102 1 603 . 1 1 47 47 LEU HD21 H 1 0.934 0.015 . . . . . A 127 LEU HD21 . 30102 1 604 . 1 1 47 47 LEU HD22 H 1 0.934 0.015 . . . . . A 127 LEU HD22 . 30102 1 605 . 1 1 47 47 LEU HD23 H 1 0.934 0.015 . . . . . A 127 LEU HD23 . 30102 1 606 . 1 1 47 47 LEU C C 13 179.349 0.150 . . . . . A 127 LEU C . 30102 1 607 . 1 1 47 47 LEU CA C 13 57.467 0.150 . . . . . A 127 LEU CA . 30102 1 608 . 1 1 47 47 LEU CB C 13 42.283 0.150 . . . . . A 127 LEU CB . 30102 1 609 . 1 1 47 47 LEU CG C 13 27.016 0.150 . . . . . A 127 LEU CG . 30102 1 610 . 1 1 47 47 LEU CD1 C 13 24.252 0.150 . . . . . A 127 LEU CD1 . 30102 1 611 . 1 1 47 47 LEU CD2 C 13 24.005 0.150 . . . . . A 127 LEU CD2 . 30102 1 612 . 1 1 47 47 LEU N N 15 122.602 0.150 . . . . . A 127 LEU N . 30102 1 613 . 1 1 48 48 PHE H H 1 8.858 0.015 . . . . . A 128 PHE H . 30102 1 614 . 1 1 48 48 PHE HA H 1 3.796 0.015 . . . . . A 128 PHE HA . 30102 1 615 . 1 1 48 48 PHE HB2 H 1 3.752 0.015 . . . . . A 128 PHE HB2 . 30102 1 616 . 1 1 48 48 PHE HB3 H 1 2.955 0.015 . . . . . A 128 PHE HB3 . 30102 1 617 . 1 1 48 48 PHE HD1 H 1 7.012 0.015 . . . . . A 128 PHE HD1 . 30102 1 618 . 1 1 48 48 PHE HD2 H 1 7.012 0.015 . . . . . A 128 PHE HD2 . 30102 1 619 . 1 1 48 48 PHE HE1 H 1 7.264 0.015 . . . . . A 128 PHE HE1 . 30102 1 620 . 1 1 48 48 PHE HE2 H 1 7.264 0.015 . . . . . A 128 PHE HE2 . 30102 1 621 . 1 1 48 48 PHE HZ H 1 7.147 0.015 . . . . . A 128 PHE HZ . 30102 1 622 . 1 1 48 48 PHE C C 13 177.21 0.150 . . . . . A 128 PHE C . 30102 1 623 . 1 1 48 48 PHE CA C 13 63.478 0.150 . . . . . A 128 PHE CA . 30102 1 624 . 1 1 48 48 PHE CB C 13 39.566 0.150 . . . . . A 128 PHE CB . 30102 1 625 . 1 1 48 48 PHE CD1 C 13 131.898 0.150 . . . . . A 128 PHE CD1 . 30102 1 626 . 1 1 48 48 PHE CE1 C 13 131.867 0.150 . . . . . A 128 PHE CE1 . 30102 1 627 . 1 1 48 48 PHE CZ C 13 130.627 0.150 . . . . . A 128 PHE CZ . 30102 1 628 . 1 1 48 48 PHE N N 15 118.923 0.150 . . . . . A 128 PHE N . 30102 1 629 . 1 1 49 49 ARG H H 1 7.615 0.015 . . . . . A 129 ARG H . 30102 1 630 . 1 1 49 49 ARG HA H 1 3.899 0.015 . . . . . A 129 ARG HA . 30102 1 631 . 1 1 49 49 ARG HB2 H 1 2.291 0.015 . . . . . A 129 ARG HB2 . 30102 1 632 . 1 1 49 49 ARG HB3 H 1 2.226 0.015 . . . . . A 129 ARG HB3 . 30102 1 633 . 1 1 49 49 ARG HG2 H 1 1.836 0.015 . . . . . A 129 ARG HG2 . 30102 1 634 . 1 1 49 49 ARG HG3 H 1 1.836 0.015 . . . . . A 129 ARG HG3 . 30102 1 635 . 1 1 49 49 ARG HD2 H 1 3.487 0.015 . . . . . A 129 ARG HD2 . 30102 1 636 . 1 1 49 49 ARG HD3 H 1 3.407 0.015 . . . . . A 129 ARG HD3 . 30102 1 637 . 1 1 49 49 ARG HE H 1 7.879 0.015 . . . . . A 129 ARG HE . 30102 1 638 . 1 1 49 49 ARG C C 13 178.799 0.150 . . . . . A 129 ARG C . 30102 1 639 . 1 1 49 49 ARG CA C 13 60.185 0.150 . . . . . A 129 ARG CA . 30102 1 640 . 1 1 49 49 ARG CB C 13 30.477 0.150 . . . . . A 129 ARG CB . 30102 1 641 . 1 1 49 49 ARG CG C 13 26.774 0.150 . . . . . A 129 ARG CG . 30102 1 642 . 1 1 49 49 ARG CD C 13 44.188 0.150 . . . . . A 129 ARG CD . 30102 1 643 . 1 1 49 49 ARG N N 15 117.821 0.150 . . . . . A 129 ARG N . 30102 1 644 . 1 1 49 49 ARG NE N 15 83.576 0.150 . . . . . A 129 ARG NE . 30102 1 645 . 1 1 50 50 GLU H H 1 8.474 0.015 . . . . . A 130 GLU H . 30102 1 646 . 1 1 50 50 GLU HA H 1 4.064 0.015 . . . . . A 130 GLU HA . 30102 1 647 . 1 1 50 50 GLU HB2 H 1 2.232 0.015 . . . . . A 130 GLU HB2 . 30102 1 648 . 1 1 50 50 GLU HB3 H 1 2.126 0.015 . . . . . A 130 GLU HB3 . 30102 1 649 . 1 1 50 50 GLU HG2 H 1 2.459 0.015 . . . . . A 130 GLU HG2 . 30102 1 650 . 1 1 50 50 GLU HG3 H 1 2.233 0.015 . . . . . A 130 GLU HG3 . 30102 1 651 . 1 1 50 50 GLU C C 13 178.138 0.150 . . . . . A 130 GLU C . 30102 1 652 . 1 1 50 50 GLU CA C 13 59.594 0.150 . . . . . A 130 GLU CA . 30102 1 653 . 1 1 50 50 GLU CB C 13 30.496 0.150 . . . . . A 130 GLU CB . 30102 1 654 . 1 1 50 50 GLU CG C 13 36.485 0.150 . . . . . A 130 GLU CG . 30102 1 655 . 1 1 50 50 GLU N N 15 119.207 0.150 . . . . . A 130 GLU N . 30102 1 656 . 1 1 51 51 ARG H H 1 8.408 0.015 . . . . . A 131 ARG H . 30102 1 657 . 1 1 51 51 ARG HA H 1 4.356 0.015 . . . . . A 131 ARG HA . 30102 1 658 . 1 1 51 51 ARG HB2 H 1 1.901 0.015 . . . . . A 131 ARG HB2 . 30102 1 659 . 1 1 51 51 ARG HB3 H 1 1.762 0.015 . . . . . A 131 ARG HB3 . 30102 1 660 . 1 1 51 51 ARG HG2 H 1 1.744 0.015 . . . . . A 131 ARG HG2 . 30102 1 661 . 1 1 51 51 ARG HG3 H 1 1.744 0.015 . . . . . A 131 ARG HG3 . 30102 1 662 . 1 1 51 51 ARG HD2 H 1 3.238 0.015 . . . . . A 131 ARG HD2 . 30102 1 663 . 1 1 51 51 ARG HD3 H 1 3.238 0.015 . . . . . A 131 ARG HD3 . 30102 1 664 . 1 1 51 51 ARG C C 13 177.748 0.150 . . . . . A 131 ARG C . 30102 1 665 . 1 1 51 51 ARG CA C 13 57.104 0.150 . . . . . A 131 ARG CA . 30102 1 666 . 1 1 51 51 ARG CB C 13 30.605 0.150 . . . . . A 131 ARG CB . 30102 1 667 . 1 1 51 51 ARG CG C 13 27.132 0.150 . . . . . A 131 ARG CG . 30102 1 668 . 1 1 51 51 ARG CD C 13 42.251 0.150 . . . . . A 131 ARG CD . 30102 1 669 . 1 1 51 51 ARG N N 15 113.725 0.150 . . . . . A 131 ARG N . 30102 1 670 . 1 1 52 52 LEU H H 1 8.055 0.015 . . . . . A 132 LEU H . 30102 1 671 . 1 1 52 52 LEU HA H 1 4.596 0.015 . . . . . A 132 LEU HA . 30102 1 672 . 1 1 52 52 LEU HB2 H 1 1.089 0.015 . . . . . A 132 LEU HB2 . 30102 1 673 . 1 1 52 52 LEU HB3 H 1 0.952 0.015 . . . . . A 132 LEU HB3 . 30102 1 674 . 1 1 52 52 LEU HG H 1 1.359 0.015 . . . . . A 132 LEU HG . 30102 1 675 . 1 1 52 52 LEU HD11 H 1 0.615 0.015 . . . . . A 132 LEU HD11 . 30102 1 676 . 1 1 52 52 LEU HD12 H 1 0.615 0.015 . . . . . A 132 LEU HD12 . 30102 1 677 . 1 1 52 52 LEU HD13 H 1 0.615 0.015 . . . . . A 132 LEU HD13 . 30102 1 678 . 1 1 52 52 LEU HD21 H 1 0.74 0.015 . . . . . A 132 LEU HD21 . 30102 1 679 . 1 1 52 52 LEU HD22 H 1 0.74 0.015 . . . . . A 132 LEU HD22 . 30102 1 680 . 1 1 52 52 LEU HD23 H 1 0.74 0.015 . . . . . A 132 LEU HD23 . 30102 1 681 . 1 1 52 52 LEU C C 13 177.115 0.150 . . . . . A 132 LEU C . 30102 1 682 . 1 1 52 52 LEU CA C 13 54.049 0.150 . . . . . A 132 LEU CA . 30102 1 683 . 1 1 52 52 LEU CB C 13 42.687 0.150 . . . . . A 132 LEU CB . 30102 1 684 . 1 1 52 52 LEU CG C 13 27.7 0.150 . . . . . A 132 LEU CG . 30102 1 685 . 1 1 52 52 LEU CD1 C 13 25.964 0.150 . . . . . A 132 LEU CD1 . 30102 1 686 . 1 1 52 52 LEU CD2 C 13 23.593 0.150 . . . . . A 132 LEU CD2 . 30102 1 687 . 1 1 52 52 LEU N N 15 116.244 0.150 . . . . . A 132 LEU N . 30102 1 688 . 1 1 53 53 GLY H H 1 7.696 0.015 . . . . . A 133 GLY H . 30102 1 689 . 1 1 53 53 GLY HA2 H 1 4.603 0.015 . . . . . A 133 GLY HA2 . 30102 1 690 . 1 1 53 53 GLY HA3 H 1 3.666 0.015 . . . . . A 133 GLY HA3 . 30102 1 691 . 1 1 53 53 GLY C C 13 180.378 0.150 . . . . . A 133 GLY C . 30102 1 692 . 1 1 53 53 GLY CA C 13 49.246 0.150 . . . . . A 133 GLY CA . 30102 1 693 . 1 1 53 53 GLY N N 15 108.261 0.150 . . . . . A 133 GLY N . 30102 1 694 . 1 1 54 54 PRO HA H 1 4.217 0.015 . . . . . A 134 PRO HA . 30102 1 695 . 1 1 54 54 PRO HB2 H 1 2.41 0.015 . . . . . A 134 PRO HB2 . 30102 1 696 . 1 1 54 54 PRO HB3 H 1 1.859 0.015 . . . . . A 134 PRO HB3 . 30102 1 697 . 1 1 54 54 PRO HG2 H 1 2.147 0.015 . . . . . A 134 PRO HG2 . 30102 1 698 . 1 1 54 54 PRO HG3 H 1 1.954 0.015 . . . . . A 134 PRO HG3 . 30102 1 699 . 1 1 54 54 PRO HD2 H 1 3.699 0.015 . . . . . A 134 PRO HD2 . 30102 1 700 . 1 1 54 54 PRO HD3 H 1 3.344 0.015 . . . . . A 134 PRO HD3 . 30102 1 701 . 1 1 54 54 PRO C C 13 179.27 0.150 . . . . . A 134 PRO C . 30102 1 702 . 1 1 54 54 PRO CA C 13 65.997 0.150 . . . . . A 134 PRO CA . 30102 1 703 . 1 1 54 54 PRO CB C 13 31.894 0.150 . . . . . A 134 PRO CB . 30102 1 704 . 1 1 54 54 PRO CG C 13 28.433 0.150 . . . . . A 134 PRO CG . 30102 1 705 . 1 1 54 54 PRO CD C 13 50.933 0.150 . . . . . A 134 PRO CD . 30102 1 706 . 1 1 55 55 LEU H H 1 7.192 0.015 . . . . . A 135 LEU H . 30102 1 707 . 1 1 55 55 LEU HA H 1 4.123 0.015 . . . . . A 135 LEU HA . 30102 1 708 . 1 1 55 55 LEU HB2 H 1 1.795 0.015 . . . . . A 135 LEU HB2 . 30102 1 709 . 1 1 55 55 LEU HB3 H 1 1.671 0.015 . . . . . A 135 LEU HB3 . 30102 1 710 . 1 1 55 55 LEU HG H 1 1.654 0.015 . . . . . A 135 LEU HG . 30102 1 711 . 1 1 55 55 LEU HD11 H 1 0.955 0.015 . . . . . A 135 LEU HD11 . 30102 1 712 . 1 1 55 55 LEU HD12 H 1 0.955 0.015 . . . . . A 135 LEU HD12 . 30102 1 713 . 1 1 55 55 LEU HD13 H 1 0.955 0.015 . . . . . A 135 LEU HD13 . 30102 1 714 . 1 1 55 55 LEU HD21 H 1 0.88 0.015 . . . . . A 135 LEU HD21 . 30102 1 715 . 1 1 55 55 LEU HD22 H 1 0.88 0.015 . . . . . A 135 LEU HD22 . 30102 1 716 . 1 1 55 55 LEU HD23 H 1 0.88 0.015 . . . . . A 135 LEU HD23 . 30102 1 717 . 1 1 55 55 LEU C C 13 179.35 0.150 . . . . . A 135 LEU C . 30102 1 718 . 1 1 55 55 LEU CA C 13 57.783 0.150 . . . . . A 135 LEU CA . 30102 1 719 . 1 1 55 55 LEU CB C 13 42.011 0.150 . . . . . A 135 LEU CB . 30102 1 720 . 1 1 55 55 LEU CG C 13 27.468 0.150 . . . . . A 135 LEU CG . 30102 1 721 . 1 1 55 55 LEU CD1 C 13 25.166 0.150 . . . . . A 135 LEU CD1 . 30102 1 722 . 1 1 55 55 LEU CD2 C 13 24.715 0.150 . . . . . A 135 LEU CD2 . 30102 1 723 . 1 1 55 55 LEU N N 15 117.475 0.150 . . . . . A 135 LEU N . 30102 1 724 . 1 1 56 56 ILE H H 1 8.076 0.015 . . . . . A 136 ILE H . 30102 1 725 . 1 1 56 56 ILE HA H 1 3.441 0.015 . . . . . A 136 ILE HA . 30102 1 726 . 1 1 56 56 ILE HB H 1 1.965 0.015 . . . . . A 136 ILE HB . 30102 1 727 . 1 1 56 56 ILE HG12 H 1 1.493 0.015 . . . . . A 136 ILE HG12 . 30102 1 728 . 1 1 56 56 ILE HG13 H 1 0.77 0.015 . . . . . A 136 ILE HG13 . 30102 1 729 . 1 1 56 56 ILE HG21 H 1 0.833 0.015 . . . . . A 136 ILE HG21 . 30102 1 730 . 1 1 56 56 ILE HG22 H 1 0.833 0.015 . . . . . A 136 ILE HG22 . 30102 1 731 . 1 1 56 56 ILE HG23 H 1 0.833 0.015 . . . . . A 136 ILE HG23 . 30102 1 732 . 1 1 56 56 ILE HD11 H 1 0.709 0.015 . . . . . A 136 ILE HD11 . 30102 1 733 . 1 1 56 56 ILE HD12 H 1 0.709 0.015 . . . . . A 136 ILE HD12 . 30102 1 734 . 1 1 56 56 ILE HD13 H 1 0.709 0.015 . . . . . A 136 ILE HD13 . 30102 1 735 . 1 1 56 56 ILE C C 13 178.756 0.150 . . . . . A 136 ILE C . 30102 1 736 . 1 1 56 56 ILE CA C 13 64.512 0.150 . . . . . A 136 ILE CA . 30102 1 737 . 1 1 56 56 ILE CB C 13 37.745 0.150 . . . . . A 136 ILE CB . 30102 1 738 . 1 1 56 56 ILE CG1 C 13 28.752 0.150 . . . . . A 136 ILE CG1 . 30102 1 739 . 1 1 56 56 ILE CG2 C 13 18.359 0.150 . . . . . A 136 ILE CG2 . 30102 1 740 . 1 1 56 56 ILE CD1 C 13 15.449 0.150 . . . . . A 136 ILE CD1 . 30102 1 741 . 1 1 56 56 ILE N N 15 120.416 0.150 . . . . . A 136 ILE N . 30102 1 742 . 1 1 57 57 LEU H H 1 8.679 0.015 . . . . . A 137 LEU H . 30102 1 743 . 1 1 57 57 LEU HA H 1 4 0.015 . . . . . A 137 LEU HA . 30102 1 744 . 1 1 57 57 LEU HB2 H 1 1.904 0.015 . . . . . A 137 LEU HB2 . 30102 1 745 . 1 1 57 57 LEU HB3 H 1 1.522 0.015 . . . . . A 137 LEU HB3 . 30102 1 746 . 1 1 57 57 LEU HG H 1 1.948 0.015 . . . . . A 137 LEU HG . 30102 1 747 . 1 1 57 57 LEU HD11 H 1 0.941 0.015 . . . . . A 137 LEU HD11 . 30102 1 748 . 1 1 57 57 LEU HD12 H 1 0.941 0.015 . . . . . A 137 LEU HD12 . 30102 1 749 . 1 1 57 57 LEU HD13 H 1 0.941 0.015 . . . . . A 137 LEU HD13 . 30102 1 750 . 1 1 57 57 LEU HD21 H 1 0.875 0.015 . . . . . A 137 LEU HD21 . 30102 1 751 . 1 1 57 57 LEU HD22 H 1 0.875 0.015 . . . . . A 137 LEU HD22 . 30102 1 752 . 1 1 57 57 LEU HD23 H 1 0.875 0.015 . . . . . A 137 LEU HD23 . 30102 1 753 . 1 1 57 57 LEU C C 13 179.091 0.150 . . . . . A 137 LEU C . 30102 1 754 . 1 1 57 57 LEU CA C 13 57.26 0.150 . . . . . A 137 LEU CA . 30102 1 755 . 1 1 57 57 LEU CB C 13 40.671 0.150 . . . . . A 137 LEU CB . 30102 1 756 . 1 1 57 57 LEU CG C 13 26.372 0.150 . . . . . A 137 LEU CG . 30102 1 757 . 1 1 57 57 LEU CD1 C 13 25.319 0.150 . . . . . A 137 LEU CD1 . 30102 1 758 . 1 1 57 57 LEU CD2 C 13 21.662 0.150 . . . . . A 137 LEU CD2 . 30102 1 759 . 1 1 57 57 LEU N N 15 118.258 0.150 . . . . . A 137 LEU N . 30102 1 760 . 1 1 58 58 GLN H H 1 7.79 0.015 . . . . . A 138 GLN H . 30102 1 761 . 1 1 58 58 GLN HA H 1 4.131 0.015 . . . . . A 138 GLN HA . 30102 1 762 . 1 1 58 58 GLN HB2 H 1 2.251 0.015 . . . . . A 138 GLN HB2 . 30102 1 763 . 1 1 58 58 GLN HB3 H 1 2.172 0.015 . . . . . A 138 GLN HB3 . 30102 1 764 . 1 1 58 58 GLN HG2 H 1 2.544 0.015 . . . . . A 138 GLN HG2 . 30102 1 765 . 1 1 58 58 GLN HG3 H 1 2.383 0.015 . . . . . A 138 GLN HG3 . 30102 1 766 . 1 1 58 58 GLN HE21 H 1 7.361 0.015 . . . . . A 138 GLN HE21 . 30102 1 767 . 1 1 58 58 GLN HE22 H 1 6.807 0.015 . . . . . A 138 GLN HE22 . 30102 1 768 . 1 1 58 58 GLN C C 13 178.726 0.150 . . . . . A 138 GLN C . 30102 1 769 . 1 1 58 58 GLN CA C 13 58.819 0.150 . . . . . A 138 GLN CA . 30102 1 770 . 1 1 58 58 GLN CB C 13 28.296 0.150 . . . . . A 138 GLN CB . 30102 1 771 . 1 1 58 58 GLN CG C 13 34.091 0.150 . . . . . A 138 GLN CG . 30102 1 772 . 1 1 58 58 GLN N N 15 119.199 0.150 . . . . . A 138 GLN N . 30102 1 773 . 1 1 58 58 GLN NE2 N 15 110.941 0.150 . . . . . A 138 GLN NE2 . 30102 1 774 . 1 1 59 59 ARG H H 1 7.638 0.015 . . . . . A 139 ARG H . 30102 1 775 . 1 1 59 59 ARG HA H 1 4.165 0.015 . . . . . A 139 ARG HA . 30102 1 776 . 1 1 59 59 ARG HB2 H 1 1.991 0.015 . . . . . A 139 ARG HB2 . 30102 1 777 . 1 1 59 59 ARG HB3 H 1 1.932 0.015 . . . . . A 139 ARG HB3 . 30102 1 778 . 1 1 59 59 ARG HG2 H 1 1.702 0.015 . . . . . A 139 ARG HG2 . 30102 1 779 . 1 1 59 59 ARG HG3 H 1 1.702 0.015 . . . . . A 139 ARG HG3 . 30102 1 780 . 1 1 59 59 ARG HD2 H 1 3.113 0.015 . . . . . A 139 ARG HD2 . 30102 1 781 . 1 1 59 59 ARG HD3 H 1 3.113 0.015 . . . . . A 139 ARG HD3 . 30102 1 782 . 1 1 59 59 ARG C C 13 177.718 0.150 . . . . . A 139 ARG C . 30102 1 783 . 1 1 59 59 ARG CA C 13 57.556 0.150 . . . . . A 139 ARG CA . 30102 1 784 . 1 1 59 59 ARG CB C 13 29.6 0.150 . . . . . A 139 ARG CB . 30102 1 785 . 1 1 59 59 ARG CG C 13 27.414 0.150 . . . . . A 139 ARG CG . 30102 1 786 . 1 1 59 59 ARG CD C 13 43.136 0.150 . . . . . A 139 ARG CD . 30102 1 787 . 1 1 59 59 ARG N N 15 116.993 0.150 . . . . . A 139 ARG N . 30102 1 788 . 1 1 60 60 ARG H H 1 7.769 0.015 . . . . . A 140 ARG H . 30102 1 789 . 1 1 60 60 ARG HA H 1 3.816 0.015 . . . . . A 140 ARG HA . 30102 1 790 . 1 1 60 60 ARG HB2 H 1 1.324 0.015 . . . . . A 140 ARG HB2 . 30102 1 791 . 1 1 60 60 ARG HB3 H 1 1.191 0.015 . . . . . A 140 ARG HB3 . 30102 1 792 . 1 1 60 60 ARG HG2 H 1 0.744 0.015 . . . . . A 140 ARG HG2 . 30102 1 793 . 1 1 60 60 ARG HG3 H 1 0.602 0.015 . . . . . A 140 ARG HG3 . 30102 1 794 . 1 1 60 60 ARG HD2 H 1 2.308 0.015 . . . . . A 140 ARG HD2 . 30102 1 795 . 1 1 60 60 ARG HD3 H 1 1.646 0.015 . . . . . A 140 ARG HD3 . 30102 1 796 . 1 1 60 60 ARG C C 13 177.084 0.150 . . . . . A 140 ARG C . 30102 1 797 . 1 1 60 60 ARG CA C 13 58.646 0.150 . . . . . A 140 ARG CA . 30102 1 798 . 1 1 60 60 ARG CB C 13 30.443 0.150 . . . . . A 140 ARG CB . 30102 1 799 . 1 1 60 60 ARG CG C 13 26.689 0.150 . . . . . A 140 ARG CG . 30102 1 800 . 1 1 60 60 ARG CD C 13 43.17 0.150 . . . . . A 140 ARG CD . 30102 1 801 . 1 1 60 60 ARG N N 15 119.819 0.150 . . . . . A 140 ARG N . 30102 1 802 . 1 1 61 61 TYR H H 1 7.773 0.015 . . . . . A 141 TYR H . 30102 1 803 . 1 1 61 61 TYR HA H 1 4.659 0.015 . . . . . A 141 TYR HA . 30102 1 804 . 1 1 61 61 TYR HB2 H 1 3.28 0.015 . . . . . A 141 TYR HB2 . 30102 1 805 . 1 1 61 61 TYR HB3 H 1 2.756 0.015 . . . . . A 141 TYR HB3 . 30102 1 806 . 1 1 61 61 TYR HD1 H 1 7.184 0.015 . . . . . A 141 TYR HD1 . 30102 1 807 . 1 1 61 61 TYR HD2 H 1 7.184 0.015 . . . . . A 141 TYR HD2 . 30102 1 808 . 1 1 61 61 TYR HE1 H 1 6.797 0.015 . . . . . A 141 TYR HE1 . 30102 1 809 . 1 1 61 61 TYR HE2 H 1 6.797 0.015 . . . . . A 141 TYR HE2 . 30102 1 810 . 1 1 61 61 TYR C C 13 176.617 0.150 . . . . . A 141 TYR C . 30102 1 811 . 1 1 61 61 TYR CA C 13 58.191 0.150 . . . . . A 141 TYR CA . 30102 1 812 . 1 1 61 61 TYR CB C 13 38.457 0.150 . . . . . A 141 TYR CB . 30102 1 813 . 1 1 61 61 TYR CD1 C 13 133.221 0.150 . . . . . A 141 TYR CD1 . 30102 1 814 . 1 1 61 61 TYR CE1 C 13 117.83 0.150 . . . . . A 141 TYR CE1 . 30102 1 815 . 1 1 61 61 TYR N N 15 115.209 0.150 . . . . . A 141 TYR N . 30102 1 816 . 1 1 62 62 GLY H H 1 7.924 0.015 . . . . . A 142 GLY H . 30102 1 817 . 1 1 62 62 GLY HA2 H 1 4.021 0.015 . . . . . A 142 GLY HA2 . 30102 1 818 . 1 1 62 62 GLY HA3 H 1 4.021 0.015 . . . . . A 142 GLY HA3 . 30102 1 819 . 1 1 62 62 GLY C C 13 174.672 0.150 . . . . . A 142 GLY C . 30102 1 820 . 1 1 62 62 GLY CA C 13 45.883 0.150 . . . . . A 142 GLY CA . 30102 1 821 . 1 1 62 62 GLY N N 15 108.832 0.150 . . . . . A 142 GLY N . 30102 1 822 . 1 1 63 63 GLY H H 1 8.2 0.015 . . . . . A 143 GLY H . 30102 1 823 . 1 1 63 63 GLY HA2 H 1 3.962 0.015 . . . . . A 143 GLY HA2 . 30102 1 824 . 1 1 63 63 GLY HA3 H 1 3.895 0.015 . . . . . A 143 GLY HA3 . 30102 1 825 . 1 1 63 63 GLY C C 13 174.005 0.150 . . . . . A 143 GLY C . 30102 1 826 . 1 1 63 63 GLY CA C 13 45.35 0.150 . . . . . A 143 GLY CA . 30102 1 827 . 1 1 63 63 GLY N N 15 108.191 0.150 . . . . . A 143 GLY N . 30102 1 828 . 1 1 64 64 TYR H H 1 8.071 0.015 . . . . . A 144 TYR H . 30102 1 829 . 1 1 64 64 TYR HA H 1 4.559 0.015 . . . . . A 144 TYR HA . 30102 1 830 . 1 1 64 64 TYR HB2 H 1 3.061 0.015 . . . . . A 144 TYR HB2 . 30102 1 831 . 1 1 64 64 TYR HB3 H 1 2.943 0.015 . . . . . A 144 TYR HB3 . 30102 1 832 . 1 1 64 64 TYR HD1 H 1 7.11 0.015 . . . . . A 144 TYR HD1 . 30102 1 833 . 1 1 64 64 TYR HD2 H 1 7.11 0.015 . . . . . A 144 TYR HD2 . 30102 1 834 . 1 1 64 64 TYR HE1 H 1 6.813 0.015 . . . . . A 144 TYR HE1 . 30102 1 835 . 1 1 64 64 TYR HE2 H 1 6.813 0.015 . . . . . A 144 TYR HE2 . 30102 1 836 . 1 1 64 64 TYR C C 13 175.667 0.150 . . . . . A 144 TYR C . 30102 1 837 . 1 1 64 64 TYR CA C 13 58.096 0.150 . . . . . A 144 TYR CA . 30102 1 838 . 1 1 64 64 TYR CB C 13 38.739 0.150 . . . . . A 144 TYR CB . 30102 1 839 . 1 1 64 64 TYR CD1 C 13 133.215 0.150 . . . . . A 144 TYR CD1 . 30102 1 840 . 1 1 64 64 TYR CE1 C 13 118.172 0.150 . . . . . A 144 TYR CE1 . 30102 1 841 . 1 1 64 64 TYR N N 15 119.696 0.150 . . . . . A 144 TYR N . 30102 1 842 . 1 1 65 65 ASN H H 1 8.402 0.015 . . . . . A 145 ASN H . 30102 1 843 . 1 1 65 65 ASN HA H 1 4.731 0.015 . . . . . A 145 ASN HA . 30102 1 844 . 1 1 65 65 ASN HB2 H 1 2.883 0.015 . . . . . A 145 ASN HB2 . 30102 1 845 . 1 1 65 65 ASN HB3 H 1 2.745 0.015 . . . . . A 145 ASN HB3 . 30102 1 846 . 1 1 65 65 ASN HD21 H 1 7.568 0.015 . . . . . A 145 ASN HD21 . 30102 1 847 . 1 1 65 65 ASN HD22 H 1 6.905 0.015 . . . . . A 145 ASN HD22 . 30102 1 848 . 1 1 65 65 ASN C C 13 175.522 0.150 . . . . . A 145 ASN C . 30102 1 849 . 1 1 65 65 ASN CA C 13 53.423 0.150 . . . . . A 145 ASN CA . 30102 1 850 . 1 1 65 65 ASN CB C 13 38.895 0.150 . . . . . A 145 ASN CB . 30102 1 851 . 1 1 65 65 ASN N N 15 120.15 0.150 . . . . . A 145 ASN N . 30102 1 852 . 1 1 65 65 ASN ND2 N 15 112.376 0.150 . . . . . A 145 ASN ND2 . 30102 1 853 . 1 1 66 66 THR H H 1 8.051 0.015 . . . . . A 146 THR H . 30102 1 854 . 1 1 66 66 THR HA H 1 4.338 0.015 . . . . . A 146 THR HA . 30102 1 855 . 1 1 66 66 THR HB H 1 4.326 0.015 . . . . . A 146 THR HB . 30102 1 856 . 1 1 66 66 THR HG21 H 1 1.178 0.015 . . . . . A 146 THR HG21 . 30102 1 857 . 1 1 66 66 THR HG22 H 1 1.178 0.015 . . . . . A 146 THR HG22 . 30102 1 858 . 1 1 66 66 THR HG23 H 1 1.178 0.015 . . . . . A 146 THR HG23 . 30102 1 859 . 1 1 66 66 THR C C 13 174.392 0.150 . . . . . A 146 THR C . 30102 1 860 . 1 1 66 66 THR CA C 13 61.95 0.150 . . . . . A 146 THR CA . 30102 1 861 . 1 1 66 66 THR CB C 13 69.475 0.150 . . . . . A 146 THR CB . 30102 1 862 . 1 1 66 66 THR CG2 C 13 21.671 0.150 . . . . . A 146 THR CG2 . 30102 1 863 . 1 1 66 66 THR N N 15 113.645 0.150 . . . . . A 146 THR N . 30102 1 864 . 1 1 67 67 ALA H H 1 8.142 0.015 . . . . . A 147 ALA H . 30102 1 865 . 1 1 67 67 ALA HA H 1 4.311 0.015 . . . . . A 147 ALA HA . 30102 1 866 . 1 1 67 67 ALA HB1 H 1 1.414 0.015 . . . . . A 147 ALA HB1 . 30102 1 867 . 1 1 67 67 ALA HB2 H 1 1.414 0.015 . . . . . A 147 ALA HB2 . 30102 1 868 . 1 1 67 67 ALA HB3 H 1 1.414 0.015 . . . . . A 147 ALA HB3 . 30102 1 869 . 1 1 67 67 ALA C C 13 177.742 0.150 . . . . . A 147 ALA C . 30102 1 870 . 1 1 67 67 ALA CA C 13 52.899 0.150 . . . . . A 147 ALA CA . 30102 1 871 . 1 1 67 67 ALA CB C 13 19.472 0.150 . . . . . A 147 ALA CB . 30102 1 872 . 1 1 67 67 ALA N N 15 124.979 0.150 . . . . . A 147 ALA N . 30102 1 873 . 1 1 68 68 MET H H 1 8.231 0.015 . . . . . A 148 MET H . 30102 1 874 . 1 1 68 68 MET HA H 1 4.453 0.015 . . . . . A 148 MET HA . 30102 1 875 . 1 1 68 68 MET HB2 H 1 2.091 0.015 . . . . . A 148 MET HB2 . 30102 1 876 . 1 1 68 68 MET HB3 H 1 1.933 0.015 . . . . . A 148 MET HB3 . 30102 1 877 . 1 1 68 68 MET HG2 H 1 2.591 0.015 . . . . . A 148 MET HG2 . 30102 1 878 . 1 1 68 68 MET HG3 H 1 2.49 0.015 . . . . . A 148 MET HG3 . 30102 1 879 . 1 1 68 68 MET HE1 H 1 2.073 0.015 . . . . . A 148 MET HE1 . 30102 1 880 . 1 1 68 68 MET HE2 H 1 2.073 0.015 . . . . . A 148 MET HE2 . 30102 1 881 . 1 1 68 68 MET HE3 H 1 2.073 0.015 . . . . . A 148 MET HE3 . 30102 1 882 . 1 1 68 68 MET C C 13 175.219 0.150 . . . . . A 148 MET C . 30102 1 883 . 1 1 68 68 MET CA C 13 55.514 0.150 . . . . . A 148 MET CA . 30102 1 884 . 1 1 68 68 MET CB C 13 32.906 0.150 . . . . . A 148 MET CB . 30102 1 885 . 1 1 68 68 MET CG C 13 32.28 0.150 . . . . . A 148 MET CG . 30102 1 886 . 1 1 68 68 MET CE C 13 17.093 0.150 . . . . . A 148 MET CE . 30102 1 887 . 1 1 68 68 MET N N 15 117.93 0.150 . . . . . A 148 MET N . 30102 1 888 . 1 1 69 69 ASN H H 1 7.832 0.015 . . . . . A 149 ASN H . 30102 1 889 . 1 1 69 69 ASN HA H 1 4.622 0.015 . . . . . A 149 ASN HA . 30102 1 890 . 1 1 69 69 ASN HB2 H 1 2.307 0.015 . . . . . A 149 ASN HB2 . 30102 1 891 . 1 1 69 69 ASN HB3 H 1 1.499 0.015 . . . . . A 149 ASN HB3 . 30102 1 892 . 1 1 69 69 ASN HD21 H 1 7.606 0.015 . . . . . A 149 ASN HD21 . 30102 1 893 . 1 1 69 69 ASN C C 13 173.78 0.150 . . . . . A 149 ASN C . 30102 1 894 . 1 1 69 69 ASN CA C 13 51.606 0.150 . . . . . A 149 ASN CA . 30102 1 895 . 1 1 69 69 ASN CB C 13 38.52 0.150 . . . . . A 149 ASN CB . 30102 1 896 . 1 1 69 69 ASN N N 15 115.791 0.150 . . . . . A 149 ASN N . 30102 1 897 . 1 1 69 69 ASN ND2 N 15 115.998 0.150 . . . . . A 149 ASN ND2 . 30102 1 898 . 1 1 70 70 PRO HA H 1 4.275 0.015 . . . . . A 150 PRO HA . 30102 1 899 . 1 1 70 70 PRO HB2 H 1 2.047 0.015 . . . . . A 150 PRO HB2 . 30102 1 900 . 1 1 70 70 PRO HB3 H 1 1.353 0.015 . . . . . A 150 PRO HB3 . 30102 1 901 . 1 1 70 70 PRO HG2 H 1 1.699 0.015 . . . . . A 150 PRO HG2 . 30102 1 902 . 1 1 70 70 PRO HG3 H 1 1.3 0.015 . . . . . A 150 PRO HG3 . 30102 1 903 . 1 1 70 70 PRO HD2 H 1 3.491 0.015 . . . . . A 150 PRO HD2 . 30102 1 904 . 1 1 70 70 PRO HD3 H 1 3.132 0.015 . . . . . A 150 PRO HD3 . 30102 1 905 . 1 1 70 70 PRO C C 13 176.24 0.150 . . . . . A 150 PRO C . 30102 1 906 . 1 1 70 70 PRO CA C 13 63.965 0.150 . . . . . A 150 PRO CA . 30102 1 907 . 1 1 70 70 PRO CB C 13 31.98 0.150 . . . . . A 150 PRO CB . 30102 1 908 . 1 1 70 70 PRO CG C 13 26.849 0.150 . . . . . A 150 PRO CG . 30102 1 909 . 1 1 70 70 PRO CD C 13 50.536 0.150 . . . . . A 150 PRO CD . 30102 1 910 . 1 1 71 71 PHE H H 1 7.751 0.015 . . . . . A 151 PHE H . 30102 1 911 . 1 1 71 71 PHE HA H 1 4.876 0.015 . . . . . A 151 PHE HA . 30102 1 912 . 1 1 71 71 PHE HB2 H 1 3.509 0.015 . . . . . A 151 PHE HB2 . 30102 1 913 . 1 1 71 71 PHE HB3 H 1 2.896 0.015 . . . . . A 151 PHE HB3 . 30102 1 914 . 1 1 71 71 PHE HD1 H 1 7.174 0.015 . . . . . A 151 PHE HD1 . 30102 1 915 . 1 1 71 71 PHE HD2 H 1 7.174 0.015 . . . . . A 151 PHE HD2 . 30102 1 916 . 1 1 71 71 PHE HE1 H 1 7.276 0.015 . . . . . A 151 PHE HE1 . 30102 1 917 . 1 1 71 71 PHE HE2 H 1 7.276 0.015 . . . . . A 151 PHE HE2 . 30102 1 918 . 1 1 71 71 PHE HZ H 1 7.328 0.015 . . . . . A 151 PHE HZ . 30102 1 919 . 1 1 71 71 PHE C C 13 175.969 0.150 . . . . . A 151 PHE C . 30102 1 920 . 1 1 71 71 PHE CA C 13 56.174 0.150 . . . . . A 151 PHE CA . 30102 1 921 . 1 1 71 71 PHE CB C 13 40.512 0.150 . . . . . A 151 PHE CB . 30102 1 922 . 1 1 71 71 PHE CD1 C 13 130.906 0.150 . . . . . A 151 PHE CD1 . 30102 1 923 . 1 1 71 71 PHE CE1 C 13 129.781 0.150 . . . . . A 151 PHE CE1 . 30102 1 924 . 1 1 71 71 PHE CZ C 13 131.348 0.150 . . . . . A 151 PHE CZ . 30102 1 925 . 1 1 71 71 PHE N N 15 114.55 0.150 . . . . . A 151 PHE N . 30102 1 926 . 1 1 72 72 GLY H H 1 7.728 0.015 . . . . . A 152 GLY H . 30102 1 927 . 1 1 72 72 GLY HA2 H 1 3.99 0.015 . . . . . A 152 GLY HA2 . 30102 1 928 . 1 1 72 72 GLY HA3 H 1 3.864 0.015 . . . . . A 152 GLY HA3 . 30102 1 929 . 1 1 72 72 GLY C C 13 174.446 0.150 . . . . . A 152 GLY C . 30102 1 930 . 1 1 72 72 GLY CA C 13 46.452 0.150 . . . . . A 152 GLY CA . 30102 1 931 . 1 1 72 72 GLY N N 15 108.048 0.150 . . . . . A 152 GLY N . 30102 1 932 . 1 1 73 73 ILE H H 1 7.346 0.015 . . . . . A 153 ILE H . 30102 1 933 . 1 1 73 73 ILE HA H 1 4.798 0.015 . . . . . A 153 ILE HA . 30102 1 934 . 1 1 73 73 ILE HB H 1 2.229 0.015 . . . . . A 153 ILE HB . 30102 1 935 . 1 1 73 73 ILE HG12 H 1 1.594 0.015 . . . . . A 153 ILE HG12 . 30102 1 936 . 1 1 73 73 ILE HG13 H 1 1.229 0.015 . . . . . A 153 ILE HG13 . 30102 1 937 . 1 1 73 73 ILE HG21 H 1 0.969 0.015 . . . . . A 153 ILE HG21 . 30102 1 938 . 1 1 73 73 ILE HG22 H 1 0.969 0.015 . . . . . A 153 ILE HG22 . 30102 1 939 . 1 1 73 73 ILE HG23 H 1 0.969 0.015 . . . . . A 153 ILE HG23 . 30102 1 940 . 1 1 73 73 ILE HD11 H 1 0.908 0.015 . . . . . A 153 ILE HD11 . 30102 1 941 . 1 1 73 73 ILE HD12 H 1 0.908 0.015 . . . . . A 153 ILE HD12 . 30102 1 942 . 1 1 73 73 ILE HD13 H 1 0.908 0.015 . . . . . A 153 ILE HD13 . 30102 1 943 . 1 1 73 73 ILE C C 13 173.725 0.150 . . . . . A 153 ILE C . 30102 1 944 . 1 1 73 73 ILE CA C 13 59.094 0.150 . . . . . A 153 ILE CA . 30102 1 945 . 1 1 73 73 ILE CB C 13 37.501 0.150 . . . . . A 153 ILE CB . 30102 1 946 . 1 1 73 73 ILE CG1 C 13 25.154 0.150 . . . . . A 153 ILE CG1 . 30102 1 947 . 1 1 73 73 ILE CG2 C 13 17.985 0.150 . . . . . A 153 ILE CG2 . 30102 1 948 . 1 1 73 73 ILE CD1 C 13 13.966 0.150 . . . . . A 153 ILE CD1 . 30102 1 949 . 1 1 73 73 ILE N N 15 113.994 0.150 . . . . . A 153 ILE N . 30102 1 950 . 1 1 74 74 PRO HA H 1 4.445 0.015 . . . . . A 154 PRO HA . 30102 1 951 . 1 1 74 74 PRO HB2 H 1 2.543 0.015 . . . . . A 154 PRO HB2 . 30102 1 952 . 1 1 74 74 PRO HB3 H 1 2.543 0.015 . . . . . A 154 PRO HB3 . 30102 1 953 . 1 1 74 74 PRO HG2 H 1 2.248 0.015 . . . . . A 154 PRO HG2 . 30102 1 954 . 1 1 74 74 PRO HG3 H 1 2.037 0.015 . . . . . A 154 PRO HG3 . 30102 1 955 . 1 1 74 74 PRO HD2 H 1 3.959 0.015 . . . . . A 154 PRO HD2 . 30102 1 956 . 1 1 74 74 PRO HD3 H 1 3.784 0.015 . . . . . A 154 PRO HD3 . 30102 1 957 . 1 1 74 74 PRO C C 13 177.862 0.150 . . . . . A 154 PRO C . 30102 1 958 . 1 1 74 74 PRO CA C 13 63.735 0.150 . . . . . A 154 PRO CA . 30102 1 959 . 1 1 74 74 PRO CB C 13 32.521 0.150 . . . . . A 154 PRO CB . 30102 1 960 . 1 1 74 74 PRO CG C 13 28.413 0.150 . . . . . A 154 PRO CG . 30102 1 961 . 1 1 74 74 PRO CD C 13 51.049 0.150 . . . . . A 154 PRO CD . 30102 1 962 . 1 1 75 75 GLN H H 1 8.907 0.015 . . . . . A 155 GLN H . 30102 1 963 . 1 1 75 75 GLN HA H 1 4.171 0.015 . . . . . A 155 GLN HA . 30102 1 964 . 1 1 75 75 GLN HB2 H 1 2.25 0.015 . . . . . A 155 GLN HB2 . 30102 1 965 . 1 1 75 75 GLN HB3 H 1 2.055 0.015 . . . . . A 155 GLN HB3 . 30102 1 966 . 1 1 75 75 GLN HG2 H 1 2.548 0.015 . . . . . A 155 GLN HG2 . 30102 1 967 . 1 1 75 75 GLN HG3 H 1 2.548 0.015 . . . . . A 155 GLN HG3 . 30102 1 968 . 1 1 75 75 GLN HE21 H 1 7.449 0.015 . . . . . A 155 GLN HE21 . 30102 1 969 . 1 1 75 75 GLN HE22 H 1 6.657 0.015 . . . . . A 155 GLN HE22 . 30102 1 970 . 1 1 75 75 GLN C C 13 177.925 0.150 . . . . . A 155 GLN C . 30102 1 971 . 1 1 75 75 GLN CA C 13 58.791 0.150 . . . . . A 155 GLN CA . 30102 1 972 . 1 1 75 75 GLN CB C 13 28.377 0.150 . . . . . A 155 GLN CB . 30102 1 973 . 1 1 75 75 GLN CG C 13 32.444 0.150 . . . . . A 155 GLN CG . 30102 1 974 . 1 1 75 75 GLN N N 15 124.975 0.150 . . . . . A 155 GLN N . 30102 1 975 . 1 1 75 75 GLN NE2 N 15 109.873 0.150 . . . . . A 155 GLN NE2 . 30102 1 976 . 1 1 76 76 ASP H H 1 8.949 0.015 . . . . . A 156 ASP H . 30102 1 977 . 1 1 76 76 ASP HA H 1 4.431 0.015 . . . . . A 156 ASP HA . 30102 1 978 . 1 1 76 76 ASP HB2 H 1 2.751 0.015 . . . . . A 156 ASP HB2 . 30102 1 979 . 1 1 76 76 ASP HB3 H 1 2.675 0.015 . . . . . A 156 ASP HB3 . 30102 1 980 . 1 1 76 76 ASP C C 13 178.304 0.150 . . . . . A 156 ASP C . 30102 1 981 . 1 1 76 76 ASP CA C 13 56.728 0.150 . . . . . A 156 ASP CA . 30102 1 982 . 1 1 76 76 ASP CB C 13 39.733 0.150 . . . . . A 156 ASP CB . 30102 1 983 . 1 1 76 76 ASP N N 15 117.545 0.150 . . . . . A 156 ASP N . 30102 1 984 . 1 1 77 77 GLU H H 1 7.417 0.015 . . . . . A 157 GLU H . 30102 1 985 . 1 1 77 77 GLU HA H 1 4.125 0.015 . . . . . A 157 GLU HA . 30102 1 986 . 1 1 77 77 GLU HB2 H 1 2.138 0.015 . . . . . A 157 GLU HB2 . 30102 1 987 . 1 1 77 77 GLU HB3 H 1 2.008 0.015 . . . . . A 157 GLU HB3 . 30102 1 988 . 1 1 77 77 GLU HG2 H 1 2.314 0.015 . . . . . A 157 GLU HG2 . 30102 1 989 . 1 1 77 77 GLU HG3 H 1 2.199 0.015 . . . . . A 157 GLU HG3 . 30102 1 990 . 1 1 77 77 GLU C C 13 177.746 0.150 . . . . . A 157 GLU C . 30102 1 991 . 1 1 77 77 GLU CA C 13 58.788 0.150 . . . . . A 157 GLU CA . 30102 1 992 . 1 1 77 77 GLU CB C 13 29.535 0.150 . . . . . A 157 GLU CB . 30102 1 993 . 1 1 77 77 GLU CG C 13 36.008 0.150 . . . . . A 157 GLU CG . 30102 1 994 . 1 1 77 77 GLU N N 15 121.345 0.150 . . . . . A 157 GLU N . 30102 1 995 . 1 1 78 78 TYR H H 1 8.191 0.015 . . . . . A 158 TYR H . 30102 1 996 . 1 1 78 78 TYR HA H 1 3.991 0.015 . . . . . A 158 TYR HA . 30102 1 997 . 1 1 78 78 TYR HB2 H 1 3.107 0.015 . . . . . A 158 TYR HB2 . 30102 1 998 . 1 1 78 78 TYR HB3 H 1 2.91 0.015 . . . . . A 158 TYR HB3 . 30102 1 999 . 1 1 78 78 TYR HD1 H 1 6.986 0.015 . . . . . A 158 TYR HD1 . 30102 1 1000 . 1 1 78 78 TYR HD2 H 1 6.986 0.015 . . . . . A 158 TYR HD2 . 30102 1 1001 . 1 1 78 78 TYR HE1 H 1 6.732 0.015 . . . . . A 158 TYR HE1 . 30102 1 1002 . 1 1 78 78 TYR HE2 H 1 6.732 0.015 . . . . . A 158 TYR HE2 . 30102 1 1003 . 1 1 78 78 TYR C C 13 176.649 0.150 . . . . . A 158 TYR C . 30102 1 1004 . 1 1 78 78 TYR CA C 13 62.763 0.150 . . . . . A 158 TYR CA . 30102 1 1005 . 1 1 78 78 TYR CB C 13 38.795 0.150 . . . . . A 158 TYR CB . 30102 1 1006 . 1 1 78 78 TYR CD1 C 13 132.91 0.150 . . . . . A 158 TYR CD1 . 30102 1 1007 . 1 1 78 78 TYR CE1 C 13 118.574 0.150 . . . . . A 158 TYR CE1 . 30102 1 1008 . 1 1 78 78 TYR N N 15 119.84 0.150 . . . . . A 158 TYR N . 30102 1 1009 . 1 1 79 79 THR H H 1 8.673 0.015 . . . . . A 159 THR H . 30102 1 1010 . 1 1 79 79 THR HA H 1 3.726 0.015 . . . . . A 159 THR HA . 30102 1 1011 . 1 1 79 79 THR HB H 1 4.262 0.015 . . . . . A 159 THR HB . 30102 1 1012 . 1 1 79 79 THR HG21 H 1 1.331 0.015 . . . . . A 159 THR HG21 . 30102 1 1013 . 1 1 79 79 THR HG22 H 1 1.331 0.015 . . . . . A 159 THR HG22 . 30102 1 1014 . 1 1 79 79 THR HG23 H 1 1.331 0.015 . . . . . A 159 THR HG23 . 30102 1 1015 . 1 1 79 79 THR C C 13 176.735 0.150 . . . . . A 159 THR C . 30102 1 1016 . 1 1 79 79 THR CA C 13 66.255 0.150 . . . . . A 159 THR CA . 30102 1 1017 . 1 1 79 79 THR CB C 13 68.937 0.150 . . . . . A 159 THR CB . 30102 1 1018 . 1 1 79 79 THR CG2 C 13 21.901 0.150 . . . . . A 159 THR CG2 . 30102 1 1019 . 1 1 79 79 THR N N 15 112.902 0.150 . . . . . A 159 THR N . 30102 1 1020 . 1 1 80 80 ARG H H 1 7.449 0.015 . . . . . A 160 ARG H . 30102 1 1021 . 1 1 80 80 ARG HA H 1 4.082 0.015 . . . . . A 160 ARG HA . 30102 1 1022 . 1 1 80 80 ARG HB2 H 1 1.971 0.015 . . . . . A 160 ARG HB2 . 30102 1 1023 . 1 1 80 80 ARG HB3 H 1 1.971 0.015 . . . . . A 160 ARG HB3 . 30102 1 1024 . 1 1 80 80 ARG HG2 H 1 1.792 0.015 . . . . . A 160 ARG HG2 . 30102 1 1025 . 1 1 80 80 ARG HG3 H 1 1.605 0.015 . . . . . A 160 ARG HG3 . 30102 1 1026 . 1 1 80 80 ARG HD2 H 1 3.278 0.015 . . . . . A 160 ARG HD2 . 30102 1 1027 . 1 1 80 80 ARG HD3 H 1 3.278 0.015 . . . . . A 160 ARG HD3 . 30102 1 1028 . 1 1 80 80 ARG C C 13 178.863 0.150 . . . . . A 160 ARG C . 30102 1 1029 . 1 1 80 80 ARG CA C 13 59.627 0.150 . . . . . A 160 ARG CA . 30102 1 1030 . 1 1 80 80 ARG CB C 13 30.377 0.150 . . . . . A 160 ARG CB . 30102 1 1031 . 1 1 80 80 ARG CG C 13 27.771 0.150 . . . . . A 160 ARG CG . 30102 1 1032 . 1 1 80 80 ARG CD C 13 43.547 0.150 . . . . . A 160 ARG CD . 30102 1 1033 . 1 1 80 80 ARG N N 15 121.674 0.150 . . . . . A 160 ARG N . 30102 1 1034 . 1 1 81 81 LEU H H 1 8.074 0.015 . . . . . A 161 LEU H . 30102 1 1035 . 1 1 81 81 LEU HA H 1 3.888 0.015 . . . . . A 161 LEU HA . 30102 1 1036 . 1 1 81 81 LEU HB2 H 1 1.81 0.015 . . . . . A 161 LEU HB2 . 30102 1 1037 . 1 1 81 81 LEU HB3 H 1 1.238 0.015 . . . . . A 161 LEU HB3 . 30102 1 1038 . 1 1 81 81 LEU HG H 1 1.899 0.015 . . . . . A 161 LEU HG . 30102 1 1039 . 1 1 81 81 LEU HD11 H 1 0.818 0.015 . . . . . A 161 LEU HD11 . 30102 1 1040 . 1 1 81 81 LEU HD12 H 1 0.818 0.015 . . . . . A 161 LEU HD12 . 30102 1 1041 . 1 1 81 81 LEU HD13 H 1 0.818 0.015 . . . . . A 161 LEU HD13 . 30102 1 1042 . 1 1 81 81 LEU HD21 H 1 0.766 0.015 . . . . . A 161 LEU HD21 . 30102 1 1043 . 1 1 81 81 LEU HD22 H 1 0.766 0.015 . . . . . A 161 LEU HD22 . 30102 1 1044 . 1 1 81 81 LEU HD23 H 1 0.766 0.015 . . . . . A 161 LEU HD23 . 30102 1 1045 . 1 1 81 81 LEU C C 13 178.297 0.150 . . . . . A 161 LEU C . 30102 1 1046 . 1 1 81 81 LEU CA C 13 57.758 0.150 . . . . . A 161 LEU CA . 30102 1 1047 . 1 1 81 81 LEU CB C 13 42.351 0.150 . . . . . A 161 LEU CB . 30102 1 1048 . 1 1 81 81 LEU CG C 13 26.081 0.150 . . . . . A 161 LEU CG . 30102 1 1049 . 1 1 81 81 LEU CD1 C 13 22.955 0.150 . . . . . A 161 LEU CD1 . 30102 1 1050 . 1 1 81 81 LEU CD2 C 13 25.973 0.150 . . . . . A 161 LEU CD2 . 30102 1 1051 . 1 1 81 81 LEU N N 15 119.592 0.150 . . . . . A 161 LEU N . 30102 1 1052 . 1 1 82 82 MET H H 1 7.707 0.015 . . . . . A 162 MET H . 30102 1 1053 . 1 1 82 82 MET HA H 1 4.275 0.015 . . . . . A 162 MET HA . 30102 1 1054 . 1 1 82 82 MET HB2 H 1 1.842 0.015 . . . . . A 162 MET HB2 . 30102 1 1055 . 1 1 82 82 MET HB3 H 1 1.783 0.015 . . . . . A 162 MET HB3 . 30102 1 1056 . 1 1 82 82 MET HG2 H 1 2.151 0.015 . . . . . A 162 MET HG2 . 30102 1 1057 . 1 1 82 82 MET HG3 H 1 1.843 0.015 . . . . . A 162 MET HG3 . 30102 1 1058 . 1 1 82 82 MET HE1 H 1 1.941 0.015 . . . . . A 162 MET HE1 . 30102 1 1059 . 1 1 82 82 MET HE2 H 1 1.941 0.015 . . . . . A 162 MET HE2 . 30102 1 1060 . 1 1 82 82 MET HE3 H 1 1.941 0.015 . . . . . A 162 MET HE3 . 30102 1 1061 . 1 1 82 82 MET C C 13 178.097 0.150 . . . . . A 162 MET C . 30102 1 1062 . 1 1 82 82 MET CA C 13 55.029 0.150 . . . . . A 162 MET CA . 30102 1 1063 . 1 1 82 82 MET CB C 13 31.808 0.150 . . . . . A 162 MET CB . 30102 1 1064 . 1 1 82 82 MET CG C 13 32.336 0.150 . . . . . A 162 MET CG . 30102 1 1065 . 1 1 82 82 MET CE C 13 17.857 0.150 . . . . . A 162 MET CE . 30102 1 1066 . 1 1 82 82 MET N N 15 112.02 0.150 . . . . . A 162 MET N . 30102 1 1067 . 1 1 83 83 ALA H H 1 7.609 0.015 . . . . . A 163 ALA H . 30102 1 1068 . 1 1 83 83 ALA HA H 1 4.249 0.015 . . . . . A 163 ALA HA . 30102 1 1069 . 1 1 83 83 ALA HB1 H 1 1.487 0.015 . . . . . A 163 ALA HB1 . 30102 1 1070 . 1 1 83 83 ALA HB2 H 1 1.487 0.015 . . . . . A 163 ALA HB2 . 30102 1 1071 . 1 1 83 83 ALA HB3 H 1 1.487 0.015 . . . . . A 163 ALA HB3 . 30102 1 1072 . 1 1 83 83 ALA C C 13 178.325 0.150 . . . . . A 163 ALA C . 30102 1 1073 . 1 1 83 83 ALA CA C 13 53.562 0.150 . . . . . A 163 ALA CA . 30102 1 1074 . 1 1 83 83 ALA CB C 13 18.932 0.150 . . . . . A 163 ALA CB . 30102 1 1075 . 1 1 83 83 ALA N N 15 121.021 0.150 . . . . . A 163 ALA N . 30102 1 1076 . 1 1 84 84 ASN H H 1 7.076 0.015 . . . . . A 164 ASN H . 30102 1 1077 . 1 1 84 84 ASN HA H 1 5.177 0.015 . . . . . A 164 ASN HA . 30102 1 1078 . 1 1 84 84 ASN HB2 H 1 2.828 0.015 . . . . . A 164 ASN HB2 . 30102 1 1079 . 1 1 84 84 ASN HB3 H 1 2.647 0.015 . . . . . A 164 ASN HB3 . 30102 1 1080 . 1 1 84 84 ASN HD21 H 1 7.826 0.015 . . . . . A 164 ASN HD21 . 30102 1 1081 . 1 1 84 84 ASN HD22 H 1 7.003 0.015 . . . . . A 164 ASN HD22 . 30102 1 1082 . 1 1 84 84 ASN CA C 13 51.387 0.150 . . . . . A 164 ASN CA . 30102 1 1083 . 1 1 84 84 ASN CB C 13 39.274 0.150 . . . . . A 164 ASN CB . 30102 1 1084 . 1 1 84 84 ASN N N 15 111.738 0.150 . . . . . A 164 ASN N . 30102 1 1085 . 1 1 84 84 ASN ND2 N 15 112.674 0.150 . . . . . A 164 ASN ND2 . 30102 1 1086 . 1 1 85 85 PRO HA H 1 4.426 0.015 . . . . . A 165 PRO HA . 30102 1 1087 . 1 1 85 85 PRO HB2 H 1 2.215 0.015 . . . . . A 165 PRO HB2 . 30102 1 1088 . 1 1 85 85 PRO HB3 H 1 1.985 0.015 . . . . . A 165 PRO HB3 . 30102 1 1089 . 1 1 85 85 PRO HG2 H 1 2.048 0.015 . . . . . A 165 PRO HG2 . 30102 1 1090 . 1 1 85 85 PRO HG3 H 1 1.936 0.015 . . . . . A 165 PRO HG3 . 30102 1 1091 . 1 1 85 85 PRO HD2 H 1 3.724 0.015 . . . . . A 165 PRO HD2 . 30102 1 1092 . 1 1 85 85 PRO HD3 H 1 3.605 0.015 . . . . . A 165 PRO HD3 . 30102 1 1093 . 1 1 85 85 PRO C C 13 175.898 0.150 . . . . . A 165 PRO C . 30102 1 1094 . 1 1 85 85 PRO CA C 13 65.022 0.150 . . . . . A 165 PRO CA . 30102 1 1095 . 1 1 85 85 PRO CB C 13 32.305 0.150 . . . . . A 165 PRO CB . 30102 1 1096 . 1 1 85 85 PRO CG C 13 26.899 0.150 . . . . . A 165 PRO CG . 30102 1 1097 . 1 1 85 85 PRO CD C 13 50.25 0.150 . . . . . A 165 PRO CD . 30102 1 1098 . 1 1 86 86 ASP H H 1 8.056 0.015 . . . . . A 166 ASP H . 30102 1 1099 . 1 1 86 86 ASP HA H 1 4.705 0.015 . . . . . A 166 ASP HA . 30102 1 1100 . 1 1 86 86 ASP HB2 H 1 2.783 0.015 . . . . . A 166 ASP HB2 . 30102 1 1101 . 1 1 86 86 ASP HB3 H 1 2.589 0.015 . . . . . A 166 ASP HB3 . 30102 1 1102 . 1 1 86 86 ASP C C 13 176.814 0.150 . . . . . A 166 ASP C . 30102 1 1103 . 1 1 86 86 ASP CA C 13 54.268 0.150 . . . . . A 166 ASP CA . 30102 1 1104 . 1 1 86 86 ASP CB C 13 41.504 0.150 . . . . . A 166 ASP CB . 30102 1 1105 . 1 1 86 86 ASP N N 15 115.241 0.150 . . . . . A 166 ASP N . 30102 1 1106 . 1 1 87 87 ASP H H 1 7.143 0.015 . . . . . A 167 ASP H . 30102 1 1107 . 1 1 87 87 ASP HA H 1 4.765 0.015 . . . . . A 167 ASP HA . 30102 1 1108 . 1 1 87 87 ASP HB2 H 1 2.771 0.015 . . . . . A 167 ASP HB2 . 30102 1 1109 . 1 1 87 87 ASP HB3 H 1 2.733 0.015 . . . . . A 167 ASP HB3 . 30102 1 1110 . 1 1 87 87 ASP C C 13 175.29 0.150 . . . . . A 167 ASP C . 30102 1 1111 . 1 1 87 87 ASP CA C 13 52.538 0.150 . . . . . A 167 ASP CA . 30102 1 1112 . 1 1 87 87 ASP CB C 13 42.541 0.150 . . . . . A 167 ASP CB . 30102 1 1113 . 1 1 87 87 ASP N N 15 123.758 0.150 . . . . . A 167 ASP N . 30102 1 1114 . 1 1 88 88 PRO HA H 1 4.161 0.015 . . . . . A 168 PRO HA . 30102 1 1115 . 1 1 88 88 PRO HB2 H 1 2.399 0.015 . . . . . A 168 PRO HB2 . 30102 1 1116 . 1 1 88 88 PRO HB3 H 1 2.038 0.015 . . . . . A 168 PRO HB3 . 30102 1 1117 . 1 1 88 88 PRO HG2 H 1 2.166 0.015 . . . . . A 168 PRO HG2 . 30102 1 1118 . 1 1 88 88 PRO HG3 H 1 2.101 0.015 . . . . . A 168 PRO HG3 . 30102 1 1119 . 1 1 88 88 PRO HD2 H 1 3.982 0.015 . . . . . A 168 PRO HD2 . 30102 1 1120 . 1 1 88 88 PRO HD3 H 1 3.817 0.015 . . . . . A 168 PRO HD3 . 30102 1 1121 . 1 1 88 88 PRO C C 13 179.062 0.150 . . . . . A 168 PRO C . 30102 1 1122 . 1 1 88 88 PRO CA C 13 65.887 0.150 . . . . . A 168 PRO CA . 30102 1 1123 . 1 1 88 88 PRO CB C 13 32.313 0.150 . . . . . A 168 PRO CB . 30102 1 1124 . 1 1 88 88 PRO CG C 13 27.619 0.150 . . . . . A 168 PRO CG . 30102 1 1125 . 1 1 88 88 PRO CD C 13 50.835 0.150 . . . . . A 168 PRO CD . 30102 1 1126 . 1 1 89 89 ASP H H 1 8.246 0.015 . . . . . A 169 ASP H . 30102 1 1127 . 1 1 89 89 ASP HA H 1 4.573 0.015 . . . . . A 169 ASP HA . 30102 1 1128 . 1 1 89 89 ASP HB2 H 1 2.76 0.015 . . . . . A 169 ASP HB2 . 30102 1 1129 . 1 1 89 89 ASP HB3 H 1 2.665 0.015 . . . . . A 169 ASP HB3 . 30102 1 1130 . 1 1 89 89 ASP C C 13 178.765 0.150 . . . . . A 169 ASP C . 30102 1 1131 . 1 1 89 89 ASP CA C 13 57.224 0.150 . . . . . A 169 ASP CA . 30102 1 1132 . 1 1 89 89 ASP CB C 13 40.467 0.150 . . . . . A 169 ASP CB . 30102 1 1133 . 1 1 89 89 ASP N N 15 118.276 0.150 . . . . . A 169 ASP N . 30102 1 1134 . 1 1 90 90 ASN H H 1 8.373 0.015 . . . . . A 170 ASN H . 30102 1 1135 . 1 1 90 90 ASN HA H 1 4.416 0.015 . . . . . A 170 ASN HA . 30102 1 1136 . 1 1 90 90 ASN HB2 H 1 3.144 0.015 . . . . . A 170 ASN HB2 . 30102 1 1137 . 1 1 90 90 ASN HB3 H 1 2.749 0.015 . . . . . A 170 ASN HB3 . 30102 1 1138 . 1 1 90 90 ASN HD21 H 1 8.024 0.015 . . . . . A 170 ASN HD21 . 30102 1 1139 . 1 1 90 90 ASN HD22 H 1 7.033 0.015 . . . . . A 170 ASN HD22 . 30102 1 1140 . 1 1 90 90 ASN C C 13 176.954 0.150 . . . . . A 170 ASN C . 30102 1 1141 . 1 1 90 90 ASN CA C 13 55.398 0.150 . . . . . A 170 ASN CA . 30102 1 1142 . 1 1 90 90 ASN CB C 13 37.44 0.150 . . . . . A 170 ASN CB . 30102 1 1143 . 1 1 90 90 ASN N N 15 122.535 0.150 . . . . . A 170 ASN N . 30102 1 1144 . 1 1 90 90 ASN ND2 N 15 111.834 0.150 . . . . . A 170 ASN ND2 . 30102 1 1145 . 1 1 91 91 LYS H H 1 8.847 0.015 . . . . . A 171 LYS H . 30102 1 1146 . 1 1 91 91 LYS HA H 1 3.979 0.015 . . . . . A 171 LYS HA . 30102 1 1147 . 1 1 91 91 LYS HB2 H 1 2.015 0.015 . . . . . A 171 LYS HB2 . 30102 1 1148 . 1 1 91 91 LYS HB3 H 1 1.836 0.015 . . . . . A 171 LYS HB3 . 30102 1 1149 . 1 1 91 91 LYS HG2 H 1 1.6 0.015 . . . . . A 171 LYS HG2 . 30102 1 1150 . 1 1 91 91 LYS HG3 H 1 1.476 0.015 . . . . . A 171 LYS HG3 . 30102 1 1151 . 1 1 91 91 LYS HD2 H 1 1.737 0.015 . . . . . A 171 LYS HD2 . 30102 1 1152 . 1 1 91 91 LYS HD3 H 1 1.737 0.015 . . . . . A 171 LYS HD3 . 30102 1 1153 . 1 1 91 91 LYS HE2 H 1 3.052 0.015 . . . . . A 171 LYS HE2 . 30102 1 1154 . 1 1 91 91 LYS HE3 H 1 3.052 0.015 . . . . . A 171 LYS HE3 . 30102 1 1155 . 1 1 91 91 LYS C C 13 179.32 0.150 . . . . . A 171 LYS C . 30102 1 1156 . 1 1 91 91 LYS CA C 13 60.091 0.150 . . . . . A 171 LYS CA . 30102 1 1157 . 1 1 91 91 LYS CB C 13 32.648 0.150 . . . . . A 171 LYS CB . 30102 1 1158 . 1 1 91 91 LYS CG C 13 24.993 0.150 . . . . . A 171 LYS CG . 30102 1 1159 . 1 1 91 91 LYS CD C 13 29.694 0.150 . . . . . A 171 LYS CD . 30102 1 1160 . 1 1 91 91 LYS CE C 13 42.118 0.150 . . . . . A 171 LYS CE . 30102 1 1161 . 1 1 91 91 LYS N N 15 121.095 0.150 . . . . . A 171 LYS N . 30102 1 1162 . 1 1 92 92 LYS H H 1 7.518 0.015 . . . . . A 172 LYS H . 30102 1 1163 . 1 1 92 92 LYS HA H 1 4.137 0.015 . . . . . A 172 LYS HA . 30102 1 1164 . 1 1 92 92 LYS HB2 H 1 1.965 0.015 . . . . . A 172 LYS HB2 . 30102 1 1165 . 1 1 92 92 LYS HB3 H 1 1.965 0.015 . . . . . A 172 LYS HB3 . 30102 1 1166 . 1 1 92 92 LYS HG2 H 1 1.599 0.015 . . . . . A 172 LYS HG2 . 30102 1 1167 . 1 1 92 92 LYS HG3 H 1 1.47 0.015 . . . . . A 172 LYS HG3 . 30102 1 1168 . 1 1 92 92 LYS HD2 H 1 1.762 0.015 . . . . . A 172 LYS HD2 . 30102 1 1169 . 1 1 92 92 LYS HD3 H 1 1.762 0.015 . . . . . A 172 LYS HD3 . 30102 1 1170 . 1 1 92 92 LYS HE2 H 1 3.048 0.015 . . . . . A 172 LYS HE2 . 30102 1 1171 . 1 1 92 92 LYS HE3 H 1 3.048 0.015 . . . . . A 172 LYS HE3 . 30102 1 1172 . 1 1 92 92 LYS C C 13 178.198 0.150 . . . . . A 172 LYS C . 30102 1 1173 . 1 1 92 92 LYS CA C 13 59.145 0.150 . . . . . A 172 LYS CA . 30102 1 1174 . 1 1 92 92 LYS CB C 13 32.731 0.150 . . . . . A 172 LYS CB . 30102 1 1175 . 1 1 92 92 LYS CG C 13 24.96 0.150 . . . . . A 172 LYS CG . 30102 1 1176 . 1 1 92 92 LYS CD C 13 29.6 0.150 . . . . . A 172 LYS CD . 30102 1 1177 . 1 1 92 92 LYS CE C 13 40.772 0.150 . . . . . A 172 LYS CE . 30102 1 1178 . 1 1 92 92 LYS N N 15 119.276 0.150 . . . . . A 172 LYS N . 30102 1 1179 . 1 1 93 93 ARG H H 1 7.646 0.015 . . . . . A 173 ARG H . 30102 1 1180 . 1 1 93 93 ARG HA H 1 4.201 0.015 . . . . . A 173 ARG HA . 30102 1 1181 . 1 1 93 93 ARG HB2 H 1 1.988 0.015 . . . . . A 173 ARG HB2 . 30102 1 1182 . 1 1 93 93 ARG HB3 H 1 2.097 0.015 . . . . . A 173 ARG HB3 . 30102 1 1183 . 1 1 93 93 ARG HG2 H 1 1.817 0.015 . . . . . A 173 ARG HG2 . 30102 1 1184 . 1 1 93 93 ARG HG3 H 1 1.582 0.015 . . . . . A 173 ARG HG3 . 30102 1 1185 . 1 1 93 93 ARG HD2 H 1 3.466 0.015 . . . . . A 173 ARG HD2 . 30102 1 1186 . 1 1 93 93 ARG HD3 H 1 3.113 0.015 . . . . . A 173 ARG HD3 . 30102 1 1187 . 1 1 93 93 ARG C C 13 178.162 0.150 . . . . . A 173 ARG C . 30102 1 1188 . 1 1 93 93 ARG CA C 13 57.999 0.150 . . . . . A 173 ARG CA . 30102 1 1189 . 1 1 93 93 ARG CB C 13 29.845 0.150 . . . . . A 173 ARG CB . 30102 1 1190 . 1 1 93 93 ARG CG C 13 27.362 0.150 . . . . . A 173 ARG CG . 30102 1 1191 . 1 1 93 93 ARG CD C 13 43.075 0.150 . . . . . A 173 ARG CD . 30102 1 1192 . 1 1 93 93 ARG N N 15 120.716 0.150 . . . . . A 173 ARG N . 30102 1 1193 . 1 1 94 94 ILE H H 1 8.643 0.015 . . . . . A 174 ILE H . 30102 1 1194 . 1 1 94 94 ILE HA H 1 3.474 0.015 . . . . . A 174 ILE HA . 30102 1 1195 . 1 1 94 94 ILE HB H 1 1.872 0.015 . . . . . A 174 ILE HB . 30102 1 1196 . 1 1 94 94 ILE HG12 H 1 1.798 0.015 . . . . . A 174 ILE HG12 . 30102 1 1197 . 1 1 94 94 ILE HG13 H 1 0.857 0.015 . . . . . A 174 ILE HG13 . 30102 1 1198 . 1 1 94 94 ILE HG21 H 1 0.951 0.015 . . . . . A 174 ILE HG21 . 30102 1 1199 . 1 1 94 94 ILE HG22 H 1 0.951 0.015 . . . . . A 174 ILE HG22 . 30102 1 1200 . 1 1 94 94 ILE HG23 H 1 0.951 0.015 . . . . . A 174 ILE HG23 . 30102 1 1201 . 1 1 94 94 ILE HD11 H 1 0.861 0.015 . . . . . A 174 ILE HD11 . 30102 1 1202 . 1 1 94 94 ILE HD12 H 1 0.861 0.015 . . . . . A 174 ILE HD12 . 30102 1 1203 . 1 1 94 94 ILE HD13 H 1 0.861 0.015 . . . . . A 174 ILE HD13 . 30102 1 1204 . 1 1 94 94 ILE C C 13 177.112 0.150 . . . . . A 174 ILE C . 30102 1 1205 . 1 1 94 94 ILE CA C 13 65.534 0.150 . . . . . A 174 ILE CA . 30102 1 1206 . 1 1 94 94 ILE CB C 13 38.306 0.150 . . . . . A 174 ILE CB . 30102 1 1207 . 1 1 94 94 ILE CG1 C 13 30.624 0.150 . . . . . A 174 ILE CG1 . 30102 1 1208 . 1 1 94 94 ILE CG2 C 13 17.432 0.150 . . . . . A 174 ILE CG2 . 30102 1 1209 . 1 1 94 94 ILE CD1 C 13 13.558 0.150 . . . . . A 174 ILE CD1 . 30102 1 1210 . 1 1 94 94 ILE N N 15 119.596 0.150 . . . . . A 174 ILE N . 30102 1 1211 . 1 1 95 95 ALA H H 1 7.809 0.015 . . . . . A 175 ALA H . 30102 1 1212 . 1 1 95 95 ALA HA H 1 4.096 0.015 . . . . . A 175 ALA HA . 30102 1 1213 . 1 1 95 95 ALA HB1 H 1 1.546 0.015 . . . . . A 175 ALA HB1 . 30102 1 1214 . 1 1 95 95 ALA HB2 H 1 1.546 0.015 . . . . . A 175 ALA HB2 . 30102 1 1215 . 1 1 95 95 ALA HB3 H 1 1.546 0.015 . . . . . A 175 ALA HB3 . 30102 1 1216 . 1 1 95 95 ALA C C 13 180.2 0.150 . . . . . A 175 ALA C . 30102 1 1217 . 1 1 95 95 ALA CA C 13 55.352 0.150 . . . . . A 175 ALA CA . 30102 1 1218 . 1 1 95 95 ALA CB C 13 18.058 0.150 . . . . . A 175 ALA CB . 30102 1 1219 . 1 1 95 95 ALA N N 15 120.657 0.150 . . . . . A 175 ALA N . 30102 1 1220 . 1 1 96 96 GLU H H 1 7.88 0.015 . . . . . A 176 GLU H . 30102 1 1221 . 1 1 96 96 GLU HA H 1 4.156 0.015 . . . . . A 176 GLU HA . 30102 1 1222 . 1 1 96 96 GLU HB2 H 1 2.292 0.015 . . . . . A 176 GLU HB2 . 30102 1 1223 . 1 1 96 96 GLU HB3 H 1 2.172 0.015 . . . . . A 176 GLU HB3 . 30102 1 1224 . 1 1 96 96 GLU HG2 H 1 2.503 0.015 . . . . . A 176 GLU HG2 . 30102 1 1225 . 1 1 96 96 GLU HG3 H 1 2.321 0.015 . . . . . A 176 GLU HG3 . 30102 1 1226 . 1 1 96 96 GLU C C 13 179.296 0.150 . . . . . A 176 GLU C . 30102 1 1227 . 1 1 96 96 GLU CA C 13 58.895 0.150 . . . . . A 176 GLU CA . 30102 1 1228 . 1 1 96 96 GLU CB C 13 29.739 0.150 . . . . . A 176 GLU CB . 30102 1 1229 . 1 1 96 96 GLU CG C 13 36.412 0.150 . . . . . A 176 GLU CG . 30102 1 1230 . 1 1 96 96 GLU N N 15 118.077 0.150 . . . . . A 176 GLU N . 30102 1 1231 . 1 1 97 97 LEU H H 1 8.062 0.015 . . . . . A 177 LEU H . 30102 1 1232 . 1 1 97 97 LEU HA H 1 4.022 0.015 . . . . . A 177 LEU HA . 30102 1 1233 . 1 1 97 97 LEU HB2 H 1 1.561 0.015 . . . . . A 177 LEU HB2 . 30102 1 1234 . 1 1 97 97 LEU HB3 H 1 1.561 0.015 . . . . . A 177 LEU HB3 . 30102 1 1235 . 1 1 97 97 LEU HG H 1 1.713 0.015 . . . . . A 177 LEU HG . 30102 1 1236 . 1 1 97 97 LEU HD11 H 1 0.799 0.015 . . . . . A 177 LEU HD11 . 30102 1 1237 . 1 1 97 97 LEU HD12 H 1 0.799 0.015 . . . . . A 177 LEU HD12 . 30102 1 1238 . 1 1 97 97 LEU HD13 H 1 0.799 0.015 . . . . . A 177 LEU HD13 . 30102 1 1239 . 1 1 97 97 LEU HD21 H 1 0.595 0.015 . . . . . A 177 LEU HD21 . 30102 1 1240 . 1 1 97 97 LEU HD22 H 1 0.595 0.015 . . . . . A 177 LEU HD22 . 30102 1 1241 . 1 1 97 97 LEU HD23 H 1 0.595 0.015 . . . . . A 177 LEU HD23 . 30102 1 1242 . 1 1 97 97 LEU C C 13 179.567 0.150 . . . . . A 177 LEU C . 30102 1 1243 . 1 1 97 97 LEU CA C 13 57.46 0.150 . . . . . A 177 LEU CA . 30102 1 1244 . 1 1 97 97 LEU CB C 13 41.209 0.150 . . . . . A 177 LEU CB . 30102 1 1245 . 1 1 97 97 LEU CG C 13 26.612 0.150 . . . . . A 177 LEU CG . 30102 1 1246 . 1 1 97 97 LEU CD1 C 13 22.9 0.150 . . . . . A 177 LEU CD1 . 30102 1 1247 . 1 1 97 97 LEU CD2 C 13 26.355 0.150 . . . . . A 177 LEU CD2 . 30102 1 1248 . 1 1 97 97 LEU N N 15 121.487 0.150 . . . . . A 177 LEU N . 30102 1 1249 . 1 1 98 98 LEU H H 1 8.395 0.015 . . . . . A 178 LEU H . 30102 1 1250 . 1 1 98 98 LEU HA H 1 4.225 0.015 . . . . . A 178 LEU HA . 30102 1 1251 . 1 1 98 98 LEU HB2 H 1 1.933 0.015 . . . . . A 178 LEU HB2 . 30102 1 1252 . 1 1 98 98 LEU HB3 H 1 1.578 0.015 . . . . . A 178 LEU HB3 . 30102 1 1253 . 1 1 98 98 LEU HG H 1 1.863 0.015 . . . . . A 178 LEU HG . 30102 1 1254 . 1 1 98 98 LEU HD11 H 1 0.946 0.015 . . . . . A 178 LEU HD11 . 30102 1 1255 . 1 1 98 98 LEU HD12 H 1 0.946 0.015 . . . . . A 178 LEU HD12 . 30102 1 1256 . 1 1 98 98 LEU HD13 H 1 0.946 0.015 . . . . . A 178 LEU HD13 . 30102 1 1257 . 1 1 98 98 LEU HD21 H 1 0.999 0.015 . . . . . A 178 LEU HD21 . 30102 1 1258 . 1 1 98 98 LEU HD22 H 1 0.999 0.015 . . . . . A 178 LEU HD22 . 30102 1 1259 . 1 1 98 98 LEU HD23 H 1 0.999 0.015 . . . . . A 178 LEU HD23 . 30102 1 1260 . 1 1 98 98 LEU C C 13 179.572 0.150 . . . . . A 178 LEU C . 30102 1 1261 . 1 1 98 98 LEU CA C 13 57.443 0.150 . . . . . A 178 LEU CA . 30102 1 1262 . 1 1 98 98 LEU CB C 13 41.875 0.150 . . . . . A 178 LEU CB . 30102 1 1263 . 1 1 98 98 LEU CG C 13 26.997 0.150 . . . . . A 178 LEU CG . 30102 1 1264 . 1 1 98 98 LEU CD1 C 13 25.887 0.150 . . . . . A 178 LEU CD1 . 30102 1 1265 . 1 1 98 98 LEU CD2 C 13 23.221 0.150 . . . . . A 178 LEU CD2 . 30102 1 1266 . 1 1 98 98 LEU N N 15 120.643 0.150 . . . . . A 178 LEU N . 30102 1 1267 . 1 1 99 99 ASP H H 1 8.062 0.015 . . . . . A 179 ASP H . 30102 1 1268 . 1 1 99 99 ASP HA H 1 4.577 0.015 . . . . . A 179 ASP HA . 30102 1 1269 . 1 1 99 99 ASP HB2 H 1 2.856 0.015 . . . . . A 179 ASP HB2 . 30102 1 1270 . 1 1 99 99 ASP HB3 H 1 2.77 0.015 . . . . . A 179 ASP HB3 . 30102 1 1271 . 1 1 99 99 ASP C C 13 178.029 0.150 . . . . . A 179 ASP C . 30102 1 1272 . 1 1 99 99 ASP CA C 13 56.581 0.150 . . . . . A 179 ASP CA . 30102 1 1273 . 1 1 99 99 ASP CB C 13 40.816 0.150 . . . . . A 179 ASP CB . 30102 1 1274 . 1 1 99 99 ASP N N 15 120.938 0.150 . . . . . A 179 ASP N . 30102 1 1275 . 1 1 100 100 GLN H H 1 8.059 0.015 . . . . . A 180 GLN H . 30102 1 1276 . 1 1 100 100 GLN HA H 1 4.115 0.015 . . . . . A 180 GLN HA . 30102 1 1277 . 1 1 100 100 GLN HB2 H 1 2.235 0.015 . . . . . A 180 GLN HB2 . 30102 1 1278 . 1 1 100 100 GLN HB3 H 1 2.235 0.015 . . . . . A 180 GLN HB3 . 30102 1 1279 . 1 1 100 100 GLN HG2 H 1 2.463 0.015 . . . . . A 180 GLN HG2 . 30102 1 1280 . 1 1 100 100 GLN HG3 H 1 2.565 0.015 . . . . . A 180 GLN HG3 . 30102 1 1281 . 1 1 100 100 GLN HE21 H 1 7.692 0.015 . . . . . A 180 GLN HE21 . 30102 1 1282 . 1 1 100 100 GLN HE22 H 1 6.772 0.015 . . . . . A 180 GLN HE22 . 30102 1 1283 . 1 1 100 100 GLN C C 13 177.512 0.150 . . . . . A 180 GLN C . 30102 1 1284 . 1 1 100 100 GLN CA C 13 57.99 0.150 . . . . . A 180 GLN CA . 30102 1 1285 . 1 1 100 100 GLN CB C 13 28.803 0.150 . . . . . A 180 GLN CB . 30102 1 1286 . 1 1 100 100 GLN CG C 13 34.045 0.150 . . . . . A 180 GLN CG . 30102 1 1287 . 1 1 100 100 GLN N N 15 119.232 0.150 . . . . . A 180 GLN N . 30102 1 1288 . 1 1 100 100 GLN NE2 N 15 112.274 0.150 . . . . . A 180 GLN NE2 . 30102 1 1289 . 1 1 101 101 GLN H H 1 8.212 0.015 . . . . . A 181 GLN H . 30102 1 1290 . 1 1 101 101 GLN HA H 1 4.266 0.015 . . . . . A 181 GLN HA . 30102 1 1291 . 1 1 101 101 GLN HB2 H 1 2.298 0.015 . . . . . A 181 GLN HB2 . 30102 1 1292 . 1 1 101 101 GLN HB3 H 1 2.298 0.015 . . . . . A 181 GLN HB3 . 30102 1 1293 . 1 1 101 101 GLN HG2 H 1 2.606 0.015 . . . . . A 181 GLN HG2 . 30102 1 1294 . 1 1 101 101 GLN HG3 H 1 2.476 0.015 . . . . . A 181 GLN HG3 . 30102 1 1295 . 1 1 101 101 GLN HE21 H 1 7.603 0.015 . . . . . A 181 GLN HE21 . 30102 1 1296 . 1 1 101 101 GLN HE22 H 1 6.644 0.015 . . . . . A 181 GLN HE22 . 30102 1 1297 . 1 1 101 101 GLN C C 13 177.271 0.150 . . . . . A 181 GLN C . 30102 1 1298 . 1 1 101 101 GLN CA C 13 58.005 0.150 . . . . . A 181 GLN CA . 30102 1 1299 . 1 1 101 101 GLN CB C 13 28.993 0.150 . . . . . A 181 GLN CB . 30102 1 1300 . 1 1 101 101 GLN CG C 13 34.093 0.150 . . . . . A 181 GLN CG . 30102 1 1301 . 1 1 101 101 GLN N N 15 119.341 0.150 . . . . . A 181 GLN N . 30102 1 1302 . 1 1 101 101 GLN NE2 N 15 111.088 0.150 . . . . . A 181 GLN NE2 . 30102 1 1303 . 1 1 102 102 ALA H H 1 8.004 0.015 . . . . . A 182 ALA H . 30102 1 1304 . 1 1 102 102 ALA HA H 1 4.325 0.015 . . . . . A 182 ALA HA . 30102 1 1305 . 1 1 102 102 ALA HB1 H 1 1.562 0.015 . . . . . A 182 ALA HB1 . 30102 1 1306 . 1 1 102 102 ALA HB2 H 1 1.562 0.015 . . . . . A 182 ALA HB2 . 30102 1 1307 . 1 1 102 102 ALA HB3 H 1 1.562 0.015 . . . . . A 182 ALA HB3 . 30102 1 1308 . 1 1 102 102 ALA C C 13 179.778 0.150 . . . . . A 182 ALA C . 30102 1 1309 . 1 1 102 102 ALA CA C 13 54.226 0.150 . . . . . A 182 ALA CA . 30102 1 1310 . 1 1 102 102 ALA CB C 13 18.515 0.150 . . . . . A 182 ALA CB . 30102 1 1311 . 1 1 102 102 ALA N N 15 122.571 0.150 . . . . . A 182 ALA N . 30102 1 1312 . 1 1 103 103 ILE H H 1 7.921 0.015 . . . . . A 183 ILE H . 30102 1 1313 . 1 1 103 103 ILE HA H 1 3.925 0.015 . . . . . A 183 ILE HA . 30102 1 1314 . 1 1 103 103 ILE HB H 1 1.978 0.015 . . . . . A 183 ILE HB . 30102 1 1315 . 1 1 103 103 ILE HG12 H 1 1.696 0.015 . . . . . A 183 ILE HG12 . 30102 1 1316 . 1 1 103 103 ILE HG13 H 1 1.175 0.015 . . . . . A 183 ILE HG13 . 30102 1 1317 . 1 1 103 103 ILE HG21 H 1 0.952 0.015 . . . . . A 183 ILE HG21 . 30102 1 1318 . 1 1 103 103 ILE HG22 H 1 0.952 0.015 . . . . . A 183 ILE HG22 . 30102 1 1319 . 1 1 103 103 ILE HG23 H 1 0.952 0.015 . . . . . A 183 ILE HG23 . 30102 1 1320 . 1 1 103 103 ILE HD11 H 1 0.88 0.015 . . . . . A 183 ILE HD11 . 30102 1 1321 . 1 1 103 103 ILE HD12 H 1 0.88 0.015 . . . . . A 183 ILE HD12 . 30102 1 1322 . 1 1 103 103 ILE HD13 H 1 0.88 0.015 . . . . . A 183 ILE HD13 . 30102 1 1323 . 1 1 103 103 ILE C C 13 177.256 0.150 . . . . . A 183 ILE C . 30102 1 1324 . 1 1 103 103 ILE CA C 13 63.617 0.150 . . . . . A 183 ILE CA . 30102 1 1325 . 1 1 103 103 ILE CB C 13 38.381 0.150 . . . . . A 183 ILE CB . 30102 1 1326 . 1 1 103 103 ILE CG1 C 13 28.559 0.150 . . . . . A 183 ILE CG1 . 30102 1 1327 . 1 1 103 103 ILE CG2 C 13 17.559 0.150 . . . . . A 183 ILE CG2 . 30102 1 1328 . 1 1 103 103 ILE CD1 C 13 13.257 0.150 . . . . . A 183 ILE CD1 . 30102 1 1329 . 1 1 103 103 ILE N N 15 119.482 0.150 . . . . . A 183 ILE N . 30102 1 1330 . 1 1 104 104 ASP H H 1 8.386 0.015 . . . . . A 184 ASP H . 30102 1 1331 . 1 1 104 104 ASP HA H 1 4.445 0.015 . . . . . A 184 ASP HA . 30102 1 1332 . 1 1 104 104 ASP HB2 H 1 2.76 0.015 . . . . . A 184 ASP HB2 . 30102 1 1333 . 1 1 104 104 ASP HB3 H 1 2.803 0.015 . . . . . A 184 ASP HB3 . 30102 1 1334 . 1 1 104 104 ASP C C 13 178.089 0.150 . . . . . A 184 ASP C . 30102 1 1335 . 1 1 104 104 ASP CA C 13 56.88 0.150 . . . . . A 184 ASP CA . 30102 1 1336 . 1 1 104 104 ASP CB C 13 41.269 0.150 . . . . . A 184 ASP CB . 30102 1 1337 . 1 1 104 104 ASP N N 15 121.893 0.150 . . . . . A 184 ASP N . 30102 1 1338 . 1 1 105 105 GLU H H 1 8.304 0.015 . . . . . A 185 GLU H . 30102 1 1339 . 1 1 105 105 GLU HA H 1 4.062 0.015 . . . . . A 185 GLU HA . 30102 1 1340 . 1 1 105 105 GLU HB2 H 1 2.164 0.015 . . . . . A 185 GLU HB2 . 30102 1 1341 . 1 1 105 105 GLU HB3 H 1 2.129 0.015 . . . . . A 185 GLU HB3 . 30102 1 1342 . 1 1 105 105 GLU HG2 H 1 2.401 0.015 . . . . . A 185 GLU HG2 . 30102 1 1343 . 1 1 105 105 GLU HG3 H 1 2.32 0.015 . . . . . A 185 GLU HG3 . 30102 1 1344 . 1 1 105 105 GLU C C 13 178.261 0.150 . . . . . A 185 GLU C . 30102 1 1345 . 1 1 105 105 GLU CA C 13 58.971 0.150 . . . . . A 185 GLU CA . 30102 1 1346 . 1 1 105 105 GLU CB C 13 29.78 0.150 . . . . . A 185 GLU CB . 30102 1 1347 . 1 1 105 105 GLU CG C 13 36.242 0.150 . . . . . A 185 GLU CG . 30102 1 1348 . 1 1 105 105 GLU N N 15 120.055 0.150 . . . . . A 185 GLU N . 30102 1 1349 . 1 1 106 106 GLN H H 1 7.995 0.015 . . . . . A 186 GLN H . 30102 1 1350 . 1 1 106 106 GLN HA H 1 4.202 0.015 . . . . . A 186 GLN HA . 30102 1 1351 . 1 1 106 106 GLN HB2 H 1 2.204 0.015 . . . . . A 186 GLN HB2 . 30102 1 1352 . 1 1 106 106 GLN HB3 H 1 2.204 0.015 . . . . . A 186 GLN HB3 . 30102 1 1353 . 1 1 106 106 GLN HG2 H 1 2.502 0.015 . . . . . A 186 GLN HG2 . 30102 1 1354 . 1 1 106 106 GLN HG3 H 1 2.502 0.015 . . . . . A 186 GLN HG3 . 30102 1 1355 . 1 1 106 106 GLN HE21 H 1 7.544 0.015 . . . . . A 186 GLN HE21 . 30102 1 1356 . 1 1 106 106 GLN HE22 H 1 6.832 0.015 . . . . . A 186 GLN HE22 . 30102 1 1357 . 1 1 106 106 GLN C C 13 178.526 0.150 . . . . . A 186 GLN C . 30102 1 1358 . 1 1 106 106 GLN CA C 13 58.081 0.150 . . . . . A 186 GLN CA . 30102 1 1359 . 1 1 106 106 GLN CB C 13 28.658 0.150 . . . . . A 186 GLN CB . 30102 1 1360 . 1 1 106 106 GLN CG C 13 34.081 0.150 . . . . . A 186 GLN CG . 30102 1 1361 . 1 1 106 106 GLN N N 15 118.089 0.150 . . . . . A 186 GLN N . 30102 1 1362 . 1 1 106 106 GLN NE2 N 15 111.785 0.150 . . . . . A 186 GLN NE2 . 30102 1 1363 . 1 1 107 107 LEU H H 1 8.221 0.015 . . . . . A 187 LEU H . 30102 1 1364 . 1 1 107 107 LEU HA H 1 4.212 0.015 . . . . . A 187 LEU HA . 30102 1 1365 . 1 1 107 107 LEU HB2 H 1 1.613 0.015 . . . . . A 187 LEU HB2 . 30102 1 1366 . 1 1 107 107 LEU HB3 H 1 1.856 0.015 . . . . . A 187 LEU HB3 . 30102 1 1367 . 1 1 107 107 LEU HG H 1 1.785 0.015 . . . . . A 187 LEU HG . 30102 1 1368 . 1 1 107 107 LEU HD11 H 1 0.867 0.015 . . . . . A 187 LEU HD11 . 30102 1 1369 . 1 1 107 107 LEU HD12 H 1 0.867 0.015 . . . . . A 187 LEU HD12 . 30102 1 1370 . 1 1 107 107 LEU HD13 H 1 0.867 0.015 . . . . . A 187 LEU HD13 . 30102 1 1371 . 1 1 107 107 LEU HD21 H 1 0.903 0.015 . . . . . A 187 LEU HD21 . 30102 1 1372 . 1 1 107 107 LEU HD22 H 1 0.903 0.015 . . . . . A 187 LEU HD22 . 30102 1 1373 . 1 1 107 107 LEU HD23 H 1 0.903 0.015 . . . . . A 187 LEU HD23 . 30102 1 1374 . 1 1 107 107 LEU C C 13 178.451 0.150 . . . . . A 187 LEU C . 30102 1 1375 . 1 1 107 107 LEU CA C 13 57.102 0.150 . . . . . A 187 LEU CA . 30102 1 1376 . 1 1 107 107 LEU CB C 13 41.902 0.150 . . . . . A 187 LEU CB . 30102 1 1377 . 1 1 107 107 LEU CG C 13 26.923 0.150 . . . . . A 187 LEU CG . 30102 1 1378 . 1 1 107 107 LEU CD1 C 13 23.659 0.150 . . . . . A 187 LEU CD1 . 30102 1 1379 . 1 1 107 107 LEU CD2 C 13 25.292 0.150 . . . . . A 187 LEU CD2 . 30102 1 1380 . 1 1 107 107 LEU N N 15 120.22 0.150 . . . . . A 187 LEU N . 30102 1 1381 . 1 1 108 108 ARG H H 1 8.121 0.015 . . . . . A 188 ARG H . 30102 1 1382 . 1 1 108 108 ARG HA H 1 4.081 0.015 . . . . . A 188 ARG HA . 30102 1 1383 . 1 1 108 108 ARG HB2 H 1 1.893 0.015 . . . . . A 188 ARG HB2 . 30102 1 1384 . 1 1 108 108 ARG HB3 H 1 1.893 0.015 . . . . . A 188 ARG HB3 . 30102 1 1385 . 1 1 108 108 ARG HG2 H 1 1.718 0.015 . . . . . A 188 ARG HG2 . 30102 1 1386 . 1 1 108 108 ARG HG3 H 1 1.604 0.015 . . . . . A 188 ARG HG3 . 30102 1 1387 . 1 1 108 108 ARG HD2 H 1 3.218 0.015 . . . . . A 188 ARG HD2 . 30102 1 1388 . 1 1 108 108 ARG HD3 H 1 3.218 0.015 . . . . . A 188 ARG HD3 . 30102 1 1389 . 1 1 108 108 ARG C C 13 177.415 0.150 . . . . . A 188 ARG C . 30102 1 1390 . 1 1 108 108 ARG CA C 13 58.563 0.150 . . . . . A 188 ARG CA . 30102 1 1391 . 1 1 108 108 ARG CB C 13 30.365 0.150 . . . . . A 188 ARG CB . 30102 1 1392 . 1 1 108 108 ARG CG C 13 27.652 0.150 . . . . . A 188 ARG CG . 30102 1 1393 . 1 1 108 108 ARG CD C 13 43.59 0.150 . . . . . A 188 ARG CD . 30102 1 1394 . 1 1 108 108 ARG N N 15 119.092 0.150 . . . . . A 188 ARG N . 30102 1 1395 . 1 1 109 109 ASN H H 1 8.03 0.015 . . . . . A 189 ASN H . 30102 1 1396 . 1 1 109 109 ASN HA H 1 4.665 0.015 . . . . . A 189 ASN HA . 30102 1 1397 . 1 1 109 109 ASN HB2 H 1 2.831 0.015 . . . . . A 189 ASN HB2 . 30102 1 1398 . 1 1 109 109 ASN HB3 H 1 2.831 0.015 . . . . . A 189 ASN HB3 . 30102 1 1399 . 1 1 109 109 ASN HD21 H 1 7.61 0.015 . . . . . A 189 ASN HD21 . 30102 1 1400 . 1 1 109 109 ASN HD22 H 1 6.966 0.015 . . . . . A 189 ASN HD22 . 30102 1 1401 . 1 1 109 109 ASN C C 13 175.664 0.150 . . . . . A 189 ASN C . 30102 1 1402 . 1 1 109 109 ASN CA C 13 54.318 0.150 . . . . . A 189 ASN CA . 30102 1 1403 . 1 1 109 109 ASN CB C 13 38.944 0.150 . . . . . A 189 ASN CB . 30102 1 1404 . 1 1 109 109 ASN N N 15 116.741 0.150 . . . . . A 189 ASN N . 30102 1 1405 . 1 1 109 109 ASN ND2 N 15 112.644 0.150 . . . . . A 189 ASN ND2 . 30102 1 1406 . 1 1 110 110 ALA H H 1 7.89 0.015 . . . . . A 190 ALA H . 30102 1 1407 . 1 1 110 110 ALA HA H 1 4.358 0.015 . . . . . A 190 ALA HA . 30102 1 1408 . 1 1 110 110 ALA HB1 H 1 1.524 0.015 . . . . . A 190 ALA HB1 . 30102 1 1409 . 1 1 110 110 ALA HB2 H 1 1.524 0.015 . . . . . A 190 ALA HB2 . 30102 1 1410 . 1 1 110 110 ALA HB3 H 1 1.524 0.015 . . . . . A 190 ALA HB3 . 30102 1 1411 . 1 1 110 110 ALA C C 13 177.866 0.150 . . . . . A 190 ALA C . 30102 1 1412 . 1 1 110 110 ALA CA C 13 53.378 0.150 . . . . . A 190 ALA CA . 30102 1 1413 . 1 1 110 110 ALA CB C 13 19.535 0.150 . . . . . A 190 ALA CB . 30102 1 1414 . 1 1 110 110 ALA N N 15 122.329 0.150 . . . . . A 190 ALA N . 30102 1 1415 . 1 1 111 111 ILE H H 1 7.863 0.015 . . . . . A 191 ILE H . 30102 1 1416 . 1 1 111 111 ILE HA H 1 4.105 0.015 . . . . . A 191 ILE HA . 30102 1 1417 . 1 1 111 111 ILE HB H 1 1.872 0.015 . . . . . A 191 ILE HB . 30102 1 1418 . 1 1 111 111 ILE HG12 H 1 1.089 0.015 . . . . . A 191 ILE HG12 . 30102 1 1419 . 1 1 111 111 ILE HG13 H 1 1.506 0.015 . . . . . A 191 ILE HG13 . 30102 1 1420 . 1 1 111 111 ILE HG21 H 1 0.847 0.015 . . . . . A 191 ILE HG21 . 30102 1 1421 . 1 1 111 111 ILE HG22 H 1 0.847 0.015 . . . . . A 191 ILE HG22 . 30102 1 1422 . 1 1 111 111 ILE HG23 H 1 0.847 0.015 . . . . . A 191 ILE HG23 . 30102 1 1423 . 1 1 111 111 ILE HD11 H 1 0.776 0.015 . . . . . A 191 ILE HD11 . 30102 1 1424 . 1 1 111 111 ILE HD12 H 1 0.776 0.015 . . . . . A 191 ILE HD12 . 30102 1 1425 . 1 1 111 111 ILE HD13 H 1 0.776 0.015 . . . . . A 191 ILE HD13 . 30102 1 1426 . 1 1 111 111 ILE C C 13 176.048 0.150 . . . . . A 191 ILE C . 30102 1 1427 . 1 1 111 111 ILE CA C 13 61.721 0.150 . . . . . A 191 ILE CA . 30102 1 1428 . 1 1 111 111 ILE CB C 13 38.874 0.150 . . . . . A 191 ILE CB . 30102 1 1429 . 1 1 111 111 ILE CG1 C 13 27.714 0.150 . . . . . A 191 ILE CG1 . 30102 1 1430 . 1 1 111 111 ILE CG2 C 13 17.566 0.150 . . . . . A 191 ILE CG2 . 30102 1 1431 . 1 1 111 111 ILE CD1 C 13 13.461 0.150 . . . . . A 191 ILE CD1 . 30102 1 1432 . 1 1 111 111 ILE N N 15 117.91 0.150 . . . . . A 191 ILE N . 30102 1 1433 . 1 1 112 112 GLU H H 1 8.251 0.015 . . . . . A 192 GLU H . 30102 1 1434 . 1 1 112 112 GLU HA H 1 4.322 0.015 . . . . . A 192 GLU HA . 30102 1 1435 . 1 1 112 112 GLU HB2 H 1 2.038 0.015 . . . . . A 192 GLU HB2 . 30102 1 1436 . 1 1 112 112 GLU HB3 H 1 1.95 0.015 . . . . . A 192 GLU HB3 . 30102 1 1437 . 1 1 112 112 GLU HG2 H 1 2.295 0.015 . . . . . A 192 GLU HG2 . 30102 1 1438 . 1 1 112 112 GLU HG3 H 1 2.212 0.015 . . . . . A 192 GLU HG3 . 30102 1 1439 . 1 1 112 112 GLU C C 13 175.814 0.150 . . . . . A 192 GLU C . 30102 1 1440 . 1 1 112 112 GLU CA C 13 56.567 0.150 . . . . . A 192 GLU CA . 30102 1 1441 . 1 1 112 112 GLU CB C 13 30.368 0.150 . . . . . A 192 GLU CB . 30102 1 1442 . 1 1 112 112 GLU CG C 13 36.354 0.150 . . . . . A 192 GLU CG . 30102 1 1443 . 1 1 112 112 GLU N N 15 123.45 0.150 . . . . . A 192 GLU N . 30102 1 1444 . 1 1 113 113 TYR H H 1 8.117 0.015 . . . . . A 193 TYR H . 30102 1 1445 . 1 1 113 113 TYR HA H 1 4.649 0.015 . . . . . A 193 TYR HA . 30102 1 1446 . 1 1 113 113 TYR HB2 H 1 3.065 0.015 . . . . . A 193 TYR HB2 . 30102 1 1447 . 1 1 113 113 TYR HB3 H 1 2.956 0.015 . . . . . A 193 TYR HB3 . 30102 1 1448 . 1 1 113 113 TYR HD1 H 1 7.116 0.015 . . . . . A 193 TYR HD1 . 30102 1 1449 . 1 1 113 113 TYR HD2 H 1 7.116 0.015 . . . . . A 193 TYR HD2 . 30102 1 1450 . 1 1 113 113 TYR HE1 H 1 6.827 0.015 . . . . . A 193 TYR HE1 . 30102 1 1451 . 1 1 113 113 TYR HE2 H 1 6.827 0.015 . . . . . A 193 TYR HE2 . 30102 1 1452 . 1 1 113 113 TYR C C 13 175.16 0.150 . . . . . A 193 TYR C . 30102 1 1453 . 1 1 113 113 TYR CA C 13 58.063 0.150 . . . . . A 193 TYR CA . 30102 1 1454 . 1 1 113 113 TYR CB C 13 39.222 0.150 . . . . . A 193 TYR CB . 30102 1 1455 . 1 1 113 113 TYR CD1 C 13 133.18 0.150 . . . . . A 193 TYR CD1 . 30102 1 1456 . 1 1 113 113 TYR CE1 C 13 118.323 0.150 . . . . . A 193 TYR CE1 . 30102 1 1457 . 1 1 113 113 TYR N N 15 122.349 0.150 . . . . . A 193 TYR N . 30102 1 1458 . 1 1 114 114 THR H H 1 8.05 0.015 . . . . . A 194 THR H . 30102 1 1459 . 1 1 114 114 THR HA H 1 4.557 0.015 . . . . . A 194 THR HA . 30102 1 1460 . 1 1 114 114 THR HB H 1 4.066 0.015 . . . . . A 194 THR HB . 30102 1 1461 . 1 1 114 114 THR HG21 H 1 1.213 0.015 . . . . . A 194 THR HG21 . 30102 1 1462 . 1 1 114 114 THR HG22 H 1 1.213 0.015 . . . . . A 194 THR HG22 . 30102 1 1463 . 1 1 114 114 THR HG23 H 1 1.213 0.015 . . . . . A 194 THR HG23 . 30102 1 1464 . 1 1 114 114 THR C C 13 180.052 0.150 . . . . . A 194 THR C . 30102 1 1465 . 1 1 114 114 THR CA C 13 59.161 0.150 . . . . . A 194 THR CA . 30102 1 1466 . 1 1 114 114 THR CB C 13 70.249 0.150 . . . . . A 194 THR CB . 30102 1 1467 . 1 1 114 114 THR CG2 C 13 21.288 0.150 . . . . . A 194 THR CG2 . 30102 1 1468 . 1 1 114 114 THR N N 15 121.148 0.150 . . . . . A 194 THR N . 30102 1 1469 . 1 1 115 115 PRO HA H 1 4.366 0.015 . . . . . A 195 PRO HA . 30102 1 1470 . 1 1 115 115 PRO HB2 H 1 2.333 0.015 . . . . . A 195 PRO HB2 . 30102 1 1471 . 1 1 115 115 PRO HB3 H 1 2.032 0.015 . . . . . A 195 PRO HB3 . 30102 1 1472 . 1 1 115 115 PRO HG2 H 1 2.052 0.015 . . . . . A 195 PRO HG2 . 30102 1 1473 . 1 1 115 115 PRO HG3 H 1 1.988 0.015 . . . . . A 195 PRO HG3 . 30102 1 1474 . 1 1 115 115 PRO HD2 H 1 3.695 0.015 . . . . . A 195 PRO HD2 . 30102 1 1475 . 1 1 115 115 PRO HD3 H 1 3.585 0.015 . . . . . A 195 PRO HD3 . 30102 1 1476 . 1 1 115 115 PRO C C 13 176.012 0.150 . . . . . A 195 PRO C . 30102 1 1477 . 1 1 115 115 PRO CA C 13 63.295 0.150 . . . . . A 195 PRO CA . 30102 1 1478 . 1 1 115 115 PRO CB C 13 32.155 0.150 . . . . . A 195 PRO CB . 30102 1 1479 . 1 1 115 115 PRO CG C 13 27.163 0.150 . . . . . A 195 PRO CG . 30102 1 1480 . 1 1 115 115 PRO CD C 13 51.038 0.150 . . . . . A 195 PRO CD . 30102 1 1481 . 1 1 116 116 GLU H H 1 7.973 0.015 . . . . . A 196 GLU H . 30102 1 1482 . 1 1 116 116 GLU HA H 1 4.115 0.015 . . . . . A 196 GLU HA . 30102 1 1483 . 1 1 116 116 GLU HB2 H 1 2.075 0.015 . . . . . A 196 GLU HB2 . 30102 1 1484 . 1 1 116 116 GLU HB3 H 1 1.922 0.015 . . . . . A 196 GLU HB3 . 30102 1 1485 . 1 1 116 116 GLU HG2 H 1 2.315 0.015 . . . . . A 196 GLU HG2 . 30102 1 1486 . 1 1 116 116 GLU HG3 H 1 2.272 0.015 . . . . . A 196 GLU HG3 . 30102 1 1487 . 1 1 116 116 GLU C C 13 173.213 0.150 . . . . . A 196 GLU C . 30102 1 1488 . 1 1 116 116 GLU CA C 13 58.242 0.150 . . . . . A 196 GLU CA . 30102 1 1489 . 1 1 116 116 GLU CB C 13 31.226 0.150 . . . . . A 196 GLU CB . 30102 1 1490 . 1 1 116 116 GLU N N 15 126.199 0.150 . . . . . A 196 GLU N . 30102 1 stop_ save_