data_34246 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34246 _Entry.Title ; NMR structure of UB2H, regulatory domain of PBP1b from E. coli ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-03-15 _Entry.Accession_date 2018-03-15 _Entry.Last_release_date 2018-04-04 _Entry.Original_release_date 2018-04-04 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_experimental_methods.ID _Entry_experimental_methods.Method _Entry_experimental_methods.Subtype _Entry_experimental_methods.Entry_ID 1 'SOLUTION NMR' 'SOLUTION NMR' 34246 stop_ 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. Simorre J. P. . . 34246 2 R. 'Maya Martinez' R. C. . . 34246 3 C. Bougault C. . . . 34246 4 A. Egan A. J.F. . . 34246 5 W. Vollmer W. . . . 34246 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'UB2H domain of PBP1b' . 34246 'regulatory domain' . 34246 transferase . 34246 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34246 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 408 34246 '15N chemical shifts' 85 34246 '1H chemical shifts' 605 34246 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2019-03-14 2018-03-15 update BMRB 'update entry citation' 34246 1 . . 2019-02-18 2018-03-15 original author 'original release' 34246 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6FZK . 34246 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34246 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1111/mmi.14082 _Citation.PubMed_ID 30044025 _Citation.Full_citation . _Citation.Title ; Induced conformational changes activate the peptidoglycan synthase PBP1B. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Mol. Microbiol.' _Citation.Journal_name_full . _Citation.Journal_volume 110 _Citation.Journal_issue . _Citation.Journal_ASTM MOMIEE _Citation.Journal_ISSN 1365-2958 _Citation.Journal_CSD 2007 _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 335 _Citation.Page_last 356 _Citation.Year 2018 _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 A. Egan A. J.F. . . 34246 1 2 R. Maya-Martinez R. . . . 34246 1 3 I. Ayala I. . . . 34246 1 4 C. Bougault C. M. . . 34246 1 5 M. Banzhaf M. . . . 34246 1 6 E. Breukink E. . . . 34246 1 7 W. Vollmer W. . . . 34246 1 8 J. Simorre J. P. . . 34246 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34246 _Assembly.ID 1 _Assembly.Name 'Penicillin-binding protein 1B (E.C.2.4.1.129,3.4.16.4)' _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 . . . . . . 34246 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34246 _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 ; MGSSHHHHHHSSGLVPRGSH MGRMVNLEPDMTISKNEMVK LLEATQYRQVSKMTRPGEFT VQANSIEMIRRPFDFPDSKE GQVRARLTFDGDHLATIVNM ENNRQFGFFRLDPR ; _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 114 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment 'PBP1b (108-200)' _Entity.Mutation . _Entity.EC_number 2.4.1.129,3.4.16.4 _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13183.969 _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 'Murein polymerase' na 34246 1 PBP1b na 34246 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 87 MET . 34246 1 2 88 GLY . 34246 1 3 89 SER . 34246 1 4 90 SER . 34246 1 5 91 HIS . 34246 1 6 92 HIS . 34246 1 7 93 HIS . 34246 1 8 94 HIS . 34246 1 9 95 HIS . 34246 1 10 96 HIS . 34246 1 11 97 SER . 34246 1 12 98 SER . 34246 1 13 99 GLY . 34246 1 14 100 LEU . 34246 1 15 101 VAL . 34246 1 16 102 PRO . 34246 1 17 103 ARG . 34246 1 18 104 GLY . 34246 1 19 105 SER . 34246 1 20 106 HIS . 34246 1 21 107 MET . 34246 1 22 108 GLY . 34246 1 23 109 ARG . 34246 1 24 110 MET . 34246 1 25 111 VAL . 34246 1 26 112 ASN . 34246 1 27 113 LEU . 34246 1 28 114 GLU . 34246 1 29 115 PRO . 34246 1 30 116 ASP . 34246 1 31 117 MET . 34246 1 32 118 THR . 34246 1 33 119 ILE . 34246 1 34 120 SER . 34246 1 35 121 LYS . 34246 1 36 122 ASN . 34246 1 37 123 GLU . 34246 1 38 124 MET . 34246 1 39 125 VAL . 34246 1 40 126 LYS . 34246 1 41 127 LEU . 34246 1 42 128 LEU . 34246 1 43 129 GLU . 34246 1 44 130 ALA . 34246 1 45 131 THR . 34246 1 46 132 GLN . 34246 1 47 133 TYR . 34246 1 48 134 ARG . 34246 1 49 135 GLN . 34246 1 50 136 VAL . 34246 1 51 137 SER . 34246 1 52 138 LYS . 34246 1 53 139 MET . 34246 1 54 140 THR . 34246 1 55 141 ARG . 34246 1 56 142 PRO . 34246 1 57 143 GLY . 34246 1 58 144 GLU . 34246 1 59 145 PHE . 34246 1 60 146 THR . 34246 1 61 147 VAL . 34246 1 62 148 GLN . 34246 1 63 149 ALA . 34246 1 64 150 ASN . 34246 1 65 151 SER . 34246 1 66 152 ILE . 34246 1 67 153 GLU . 34246 1 68 154 MET . 34246 1 69 155 ILE . 34246 1 70 156 ARG . 34246 1 71 157 ARG . 34246 1 72 158 PRO . 34246 1 73 159 PHE . 34246 1 74 160 ASP . 34246 1 75 161 PHE . 34246 1 76 162 PRO . 34246 1 77 163 ASP . 34246 1 78 164 SER . 34246 1 79 165 LYS . 34246 1 80 166 GLU . 34246 1 81 167 GLY . 34246 1 82 168 GLN . 34246 1 83 169 VAL . 34246 1 84 170 ARG . 34246 1 85 171 ALA . 34246 1 86 172 ARG . 34246 1 87 173 LEU . 34246 1 88 174 THR . 34246 1 89 175 PHE . 34246 1 90 176 ASP . 34246 1 91 177 GLY . 34246 1 92 178 ASP . 34246 1 93 179 HIS . 34246 1 94 180 LEU . 34246 1 95 181 ALA . 34246 1 96 182 THR . 34246 1 97 183 ILE . 34246 1 98 184 VAL . 34246 1 99 185 ASN . 34246 1 100 186 MET . 34246 1 101 187 GLU . 34246 1 102 188 ASN . 34246 1 103 189 ASN . 34246 1 104 190 ARG . 34246 1 105 191 GLN . 34246 1 106 192 PHE . 34246 1 107 193 GLY . 34246 1 108 194 PHE . 34246 1 109 195 PHE . 34246 1 110 196 ARG . 34246 1 111 197 LEU . 34246 1 112 198 ASP . 34246 1 113 199 PRO . 34246 1 114 200 ARG . 34246 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 34246 1 . GLY 2 2 34246 1 . SER 3 3 34246 1 . SER 4 4 34246 1 . HIS 5 5 34246 1 . HIS 6 6 34246 1 . HIS 7 7 34246 1 . HIS 8 8 34246 1 . HIS 9 9 34246 1 . HIS 10 10 34246 1 . SER 11 11 34246 1 . SER 12 12 34246 1 . GLY 13 13 34246 1 . LEU 14 14 34246 1 . VAL 15 15 34246 1 . PRO 16 16 34246 1 . ARG 17 17 34246 1 . GLY 18 18 34246 1 . SER 19 19 34246 1 . HIS 20 20 34246 1 . MET 21 21 34246 1 . GLY 22 22 34246 1 . ARG 23 23 34246 1 . MET 24 24 34246 1 . VAL 25 25 34246 1 . ASN 26 26 34246 1 . LEU 27 27 34246 1 . GLU 28 28 34246 1 . PRO 29 29 34246 1 . ASP 30 30 34246 1 . MET 31 31 34246 1 . THR 32 32 34246 1 . ILE 33 33 34246 1 . SER 34 34 34246 1 . LYS 35 35 34246 1 . ASN 36 36 34246 1 . GLU 37 37 34246 1 . MET 38 38 34246 1 . VAL 39 39 34246 1 . LYS 40 40 34246 1 . LEU 41 41 34246 1 . LEU 42 42 34246 1 . GLU 43 43 34246 1 . ALA 44 44 34246 1 . THR 45 45 34246 1 . GLN 46 46 34246 1 . TYR 47 47 34246 1 . ARG 48 48 34246 1 . GLN 49 49 34246 1 . VAL 50 50 34246 1 . SER 51 51 34246 1 . LYS 52 52 34246 1 . MET 53 53 34246 1 . THR 54 54 34246 1 . ARG 55 55 34246 1 . PRO 56 56 34246 1 . GLY 57 57 34246 1 . GLU 58 58 34246 1 . PHE 59 59 34246 1 . THR 60 60 34246 1 . VAL 61 61 34246 1 . GLN 62 62 34246 1 . ALA 63 63 34246 1 . ASN 64 64 34246 1 . SER 65 65 34246 1 . ILE 66 66 34246 1 . GLU 67 67 34246 1 . MET 68 68 34246 1 . ILE 69 69 34246 1 . ARG 70 70 34246 1 . ARG 71 71 34246 1 . PRO 72 72 34246 1 . PHE 73 73 34246 1 . ASP 74 74 34246 1 . PHE 75 75 34246 1 . PRO 76 76 34246 1 . ASP 77 77 34246 1 . SER 78 78 34246 1 . LYS 79 79 34246 1 . GLU 80 80 34246 1 . GLY 81 81 34246 1 . GLN 82 82 34246 1 . VAL 83 83 34246 1 . ARG 84 84 34246 1 . ALA 85 85 34246 1 . ARG 86 86 34246 1 . LEU 87 87 34246 1 . THR 88 88 34246 1 . PHE 89 89 34246 1 . ASP 90 90 34246 1 . GLY 91 91 34246 1 . ASP 92 92 34246 1 . HIS 93 93 34246 1 . LEU 94 94 34246 1 . ALA 95 95 34246 1 . THR 96 96 34246 1 . ILE 97 97 34246 1 . VAL 98 98 34246 1 . ASN 99 99 34246 1 . MET 100 100 34246 1 . GLU 101 101 34246 1 . ASN 102 102 34246 1 . ASN 103 103 34246 1 . ARG 104 104 34246 1 . GLN 105 105 34246 1 . PHE 106 106 34246 1 . GLY 107 107 34246 1 . PHE 108 108 34246 1 . PHE 109 109 34246 1 . ARG 110 110 34246 1 . LEU 111 111 34246 1 . ASP 112 112 34246 1 . PRO 113 113 34246 1 . ARG 114 114 34246 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 34246 _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 . 83333 organism . 'Escherichia coli K-12' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . 'mrcB, pbpF, ponB, b0149, JW0145' . 34246 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 34246 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli BL21(DE3)' . . 469008 . . . . . plasmid . . pET28a . . . 34246 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34246 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '500 uM [U-13C; U-15N] UB2H, 450 uM [U-99% 15N] UB2H, 100 uM not label UB2H_Lys-Oxyl, 90% H2O and 10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O and 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 'UB2H double label' '[U-13C; U-15N]' . . 1 $entity_1 . . 500 . . uM 5 . . . 34246 1 2 'UB2H single label' '[U-99% 15N]' . . 1 $entity_1 . . 450 . . uM 5 . . . 34246 1 3 UB2H_Lys-Oxyl 'natural abundance' . . 1 $entity_1 . . 100 . . uM 5 . . . 34246 1 4 Tris/HCl 'natural abundance' . . . . . . 10 . . mM . . . . 34246 1 5 NaCl 'natural abundance' . . . . . . 200 . . mM . . . . 34246 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 34246 _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' 200 . mM 34246 1 pH 7.5 . pH 34246 1 pressure 1 . atm 34246 1 temperature 293 . K 34246 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34246 _Software.ID 1 _Software.Type . _Software.Name Aria _Software.Version 2.3 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Rieping W., Habeck M., Bardiaux B., Bernard A , Nilges M.' . . 34246 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 34246 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34246 _Software.ID 2 _Software.Type . _Software.Name CNS _Software.Version 1.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 34246 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 34246 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34246 _Software.ID 3 _Software.Type . _Software.Name CcpNmr_Analysis _Software.Version 2.4 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 34246 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 34246 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34246 _Software.ID 4 _Software.Type . _Software.Name Talos+ _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Yang Shen, Frank Delaglio, Gabriel Cornilescu, and Ad Bax' . . 34246 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 34246 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 34246 _Software.ID 5 _Software.Type . _Software.Name Unio10 _Software.Version 2.0.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Torsten Herrmann' . . 34246 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 34246 5 stop_ save_ save_software_6 _Software.Sf_category software _Software.Sf_framecode software_6 _Software.Entry_ID 34246 _Software.ID 6 _Software.Type . _Software.Name nmrDraw _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 34246 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 34246 6 stop_ save_ save_software_7 _Software.Sf_category software _Software.Sf_framecode software_7 _Software.Entry_ID 34246 _Software.ID 7 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 34246 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 34246 7 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 34246 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _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 34246 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 34246 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 save_ save_NMR_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_4 _NMR_spectrometer.Entry_ID 34246 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 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 34246 _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 AvanceIII . 600 . . . 34246 1 2 NMR_spectrometer_2 Bruker AvanceIII . 700 . . . 34246 1 3 NMR_spectrometer_3 Bruker AvanceIII . 850 . . . 34246 1 4 NMR_spectrometer_4 Bruker AvanceIII . 950 . . . 34246 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 34246 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34246 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34246 1 3 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34246 1 4 '3D BESTROSY-HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 34246 1 5 '3D BESTROSY-HN(CO)CACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 34246 1 6 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34246 1 7 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34246 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34246 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34246 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 4 $NMR_spectrometer_4 . . . . . . . . . . . . . . . . 34246 1 11 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 4 $NMR_spectrometer_4 . . . . . . . . . . . . . . . . 34246 1 12 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 4 $NMR_spectrometer_4 . . . . . . . . . . . . . . . . 34246 1 13 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 34246 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 34246 _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 . . . . . 34246 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 34246 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 34246 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 34246 _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 HSQC' . . . 34246 1 2 '3D HNCO' . . . 34246 1 3 '3D HN(CA)CO' . . . 34246 1 4 '3D BESTROSY-HNCACB' . . . 34246 1 5 '3D BESTROSY-HN(CO)CACB' . . . 34246 1 6 '2D 1H-13C HSQC aliphatic' . . . 34246 1 7 '2D 1H-13C HSQC aromatic' . . . 34246 1 8 '3D HCCH-TOCSY' . . . 34246 1 9 '3D HCCH-TOCSY' . . . 34246 1 10 '3D 1H-15N NOESY' . . . 34246 1 11 '3D 1H-13C NOESY aliphatic' . . . 34246 1 12 '3D 1H-13C NOESY aromatic' . . . 34246 1 13 '2D 1H-15N HSQC' . . . 34246 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 13 13 GLY CA C 13 45.352 0.000 . 1 . . . . A 99 GLY CA . 34246 1 2 . 1 1 14 14 LEU H H 1 7.873 0.002 . 1 . . . . A 100 LEU H . 34246 1 3 . 1 1 14 14 LEU CA C 13 55.251 0.074 . 1 . . . . A 100 LEU CA . 34246 1 4 . 1 1 14 14 LEU CB C 13 42.454 0.013 . 1 . . . . A 100 LEU CB . 34246 1 5 . 1 1 14 14 LEU N N 15 121.982 0.075 . 1 . . . . A 100 LEU N . 34246 1 6 . 1 1 15 15 VAL H H 1 7.902 0.003 . 1 . . . . A 101 VAL H . 34246 1 7 . 1 1 15 15 VAL CA C 13 59.813 0.000 . 1 . . . . A 101 VAL CA . 34246 1 8 . 1 1 15 15 VAL CB C 13 32.668 0.000 . 1 . . . . A 101 VAL CB . 34246 1 9 . 1 1 15 15 VAL N N 15 122.775 0.096 . 1 . . . . A 101 VAL N . 34246 1 10 . 1 1 17 17 ARG H H 1 8.599 0.003 . 1 . . . . A 103 ARG H . 34246 1 11 . 1 1 17 17 ARG N N 15 127.626 0.119 . 1 . . . . A 103 ARG N . 34246 1 12 . 1 1 20 20 HIS HA H 1 4.162 0.000 . 1 . . . . A 106 HIS HA . 34246 1 13 . 1 1 20 20 HIS HB2 H 1 1.775 0.000 . 1 . . . . A 106 HIS HB2 . 34246 1 14 . 1 1 20 20 HIS HB3 H 1 1.775 0.000 . 1 . . . . A 106 HIS HB3 . 34246 1 15 . 1 1 21 21 MET H H 1 8.178 0.003 . 1 . . . . A 107 MET H . 34246 1 16 . 1 1 21 21 MET CA C 13 56.961 0.000 . 1 . . . . A 107 MET CA . 34246 1 17 . 1 1 21 21 MET CB C 13 30.447 0.000 . 1 . . . . A 107 MET CB . 34246 1 18 . 1 1 21 21 MET N N 15 121.715 0.059 . 1 . . . . A 107 MET N . 34246 1 19 . 1 1 22 22 GLY C C 13 174.174 0.000 . 1 . . . . A 108 GLY C . 34246 1 20 . 1 1 22 22 GLY CA C 13 45.516 0.084 . 1 . . . . A 108 GLY CA . 34246 1 21 . 1 1 23 23 ARG H H 1 7.897 0.017 . 1 . . . . A 109 ARG H . 34246 1 22 . 1 1 23 23 ARG HA H 1 4.181 0.008 . 1 . . . . A 109 ARG HA . 34246 1 23 . 1 1 23 23 ARG HB2 H 1 2.028 0.000 . 1 . . . . A 109 ARG HB2 . 34246 1 24 . 1 1 23 23 ARG HB3 H 1 1.652 0.000 . 1 . . . . A 109 ARG HB3 . 34246 1 25 . 1 1 23 23 ARG C C 13 176.068 0.000 . 1 . . . . A 109 ARG C . 34246 1 26 . 1 1 23 23 ARG CA C 13 55.927 0.289 . 1 . . . . A 109 ARG CA . 34246 1 27 . 1 1 23 23 ARG CB C 13 31.107 0.422 . 1 . . . . A 109 ARG CB . 34246 1 28 . 1 1 23 23 ARG CG C 13 27.176 0.000 . 1 . . . . A 109 ARG CG . 34246 1 29 . 1 1 23 23 ARG CD C 13 43.505 0.037 . 1 . . . . A 109 ARG CD . 34246 1 30 . 1 1 23 23 ARG N N 15 120.341 0.064 . 1 . . . . A 109 ARG N . 34246 1 31 . 1 1 24 24 MET H H 1 7.961 0.002 . 1 . . . . A 110 MET H . 34246 1 32 . 1 1 24 24 MET HA H 1 3.812 0.000 . 1 . . . . A 110 MET HA . 34246 1 33 . 1 1 24 24 MET HB2 H 1 1.758 0.000 . 1 . . . . A 110 MET HB2 . 34246 1 34 . 1 1 24 24 MET HB3 H 1 1.758 0.000 . 1 . . . . A 110 MET HB3 . 34246 1 35 . 1 1 24 24 MET C C 13 175.805 0.000 . 1 . . . . A 110 MET C . 34246 1 36 . 1 1 24 24 MET CA C 13 55.701 0.024 . 1 . . . . A 110 MET CA . 34246 1 37 . 1 1 24 24 MET CB C 13 33.128 0.076 . 1 . . . . A 110 MET CB . 34246 1 38 . 1 1 24 24 MET N N 15 120.875 0.039 . 1 . . . . A 110 MET N . 34246 1 39 . 1 1 25 25 VAL H H 1 8.135 0.006 . 1 . . . . A 111 VAL H . 34246 1 40 . 1 1 25 25 VAL HA H 1 3.921 0.004 . 1 . . . . A 111 VAL HA . 34246 1 41 . 1 1 25 25 VAL HB H 1 1.770 0.005 . 1 . . . . A 111 VAL HB . 34246 1 42 . 1 1 25 25 VAL HG11 H 1 0.659 0.000 . 2 . . . . A 111 VAL HG11 . 34246 1 43 . 1 1 25 25 VAL HG12 H 1 0.659 0.000 . 2 . . . . A 111 VAL HG12 . 34246 1 44 . 1 1 25 25 VAL HG13 H 1 0.659 0.000 . 2 . . . . A 111 VAL HG13 . 34246 1 45 . 1 1 25 25 VAL HG21 H 1 0.624 0.015 . 2 . . . . A 111 VAL HG21 . 34246 1 46 . 1 1 25 25 VAL HG22 H 1 0.624 0.015 . 2 . . . . A 111 VAL HG22 . 34246 1 47 . 1 1 25 25 VAL HG23 H 1 0.624 0.015 . 2 . . . . A 111 VAL HG23 . 34246 1 48 . 1 1 25 25 VAL C C 13 174.402 0.000 . 1 . . . . A 111 VAL C . 34246 1 49 . 1 1 25 25 VAL CA C 13 61.950 0.050 . 1 . . . . A 111 VAL CA . 34246 1 50 . 1 1 25 25 VAL CB C 13 33.581 0.000 . 1 . . . . A 111 VAL CB . 34246 1 51 . 1 1 25 25 VAL CG1 C 13 21.120 0.118 . 2 . . . . A 111 VAL CG1 . 34246 1 52 . 1 1 25 25 VAL CG2 C 13 21.120 0.118 . 2 . . . . A 111 VAL CG2 . 34246 1 53 . 1 1 25 25 VAL N N 15 123.007 0.120 . 1 . . . . A 111 VAL N . 34246 1 54 . 1 1 26 26 ASN H H 1 8.193 0.018 . 1 . . . . A 112 ASN H . 34246 1 55 . 1 1 26 26 ASN HA H 1 4.770 0.005 . 1 . . . . A 112 ASN HA . 34246 1 56 . 1 1 26 26 ASN HB2 H 1 2.275 0.000 . 1 . . . . A 112 ASN HB2 . 34246 1 57 . 1 1 26 26 ASN HB3 H 1 2.275 0.000 . 1 . . . . A 112 ASN HB3 . 34246 1 58 . 1 1 26 26 ASN C C 13 174.364 0.000 . 1 . . . . A 112 ASN C . 34246 1 59 . 1 1 26 26 ASN CA C 13 52.271 0.126 . 1 . . . . A 112 ASN CA . 34246 1 60 . 1 1 26 26 ASN CB C 13 40.615 0.038 . 1 . . . . A 112 ASN CB . 34246 1 61 . 1 1 26 26 ASN N N 15 124.855 0.140 . 1 . . . . A 112 ASN N . 34246 1 62 . 1 1 27 27 LEU H H 1 8.570 0.005 . 1 . . . . A 113 LEU H . 34246 1 63 . 1 1 27 27 LEU HA H 1 4.488 0.004 . 1 . . . . A 113 LEU HA . 34246 1 64 . 1 1 27 27 LEU HB2 H 1 0.929 0.006 . 1 . . . . A 113 LEU HB2 . 34246 1 65 . 1 1 27 27 LEU HB3 H 1 1.711 0.004 . 1 . . . . A 113 LEU HB3 . 34246 1 66 . 1 1 27 27 LEU HG H 1 1.458 0.000 . 1 . . . . A 113 LEU HG . 34246 1 67 . 1 1 27 27 LEU HD11 H 1 0.503 0.006 . 2 . . . . A 113 LEU HD11 . 34246 1 68 . 1 1 27 27 LEU HD12 H 1 0.503 0.006 . 2 . . . . A 113 LEU HD12 . 34246 1 69 . 1 1 27 27 LEU HD13 H 1 0.503 0.006 . 2 . . . . A 113 LEU HD13 . 34246 1 70 . 1 1 27 27 LEU HD21 H 1 0.583 0.000 . 2 . . . . A 113 LEU HD21 . 34246 1 71 . 1 1 27 27 LEU HD22 H 1 0.583 0.000 . 2 . . . . A 113 LEU HD22 . 34246 1 72 . 1 1 27 27 LEU HD23 H 1 0.583 0.000 . 2 . . . . A 113 LEU HD23 . 34246 1 73 . 1 1 27 27 LEU C C 13 175.825 0.000 . 1 . . . . A 113 LEU C . 34246 1 74 . 1 1 27 27 LEU CA C 13 53.752 0.123 . 1 . . . . A 113 LEU CA . 34246 1 75 . 1 1 27 27 LEU CB C 13 43.509 0.038 . 1 . . . . A 113 LEU CB . 34246 1 76 . 1 1 27 27 LEU CG C 13 26.507 0.424 . 1 . . . . A 113 LEU CG . 34246 1 77 . 1 1 27 27 LEU CD1 C 13 22.919 0.023 . 2 . . . . A 113 LEU CD1 . 34246 1 78 . 1 1 27 27 LEU CD2 C 13 22.942 0.019 . 2 . . . . A 113 LEU CD2 . 34246 1 79 . 1 1 27 27 LEU N N 15 122.920 0.061 . 1 . . . . A 113 LEU N . 34246 1 80 . 1 1 28 28 GLU H H 1 7.208 0.012 . 1 . . . . A 114 GLU H . 34246 1 81 . 1 1 28 28 GLU HA H 1 4.508 0.003 . 1 . . . . A 114 GLU HA . 34246 1 82 . 1 1 28 28 GLU HB2 H 1 1.640 0.001 . 1 . . . . A 114 GLU HB2 . 34246 1 83 . 1 1 28 28 GLU HB3 H 1 1.976 0.004 . 1 . . . . A 114 GLU HB3 . 34246 1 84 . 1 1 28 28 GLU HG2 H 1 2.272 0.000 . 1 . . . . A 114 GLU HG2 . 34246 1 85 . 1 1 28 28 GLU HG3 H 1 2.272 0.000 . 1 . . . . A 114 GLU HG3 . 34246 1 86 . 1 1 28 28 GLU C C 13 172.673 0.000 . 1 . . . . A 114 GLU C . 34246 1 87 . 1 1 28 28 GLU CA C 13 53.255 0.054 . 1 . . . . A 114 GLU CA . 34246 1 88 . 1 1 28 28 GLU CB C 13 32.968 0.084 . 1 . . . . A 114 GLU CB . 34246 1 89 . 1 1 28 28 GLU CG C 13 36.464 0.000 . 1 . . . . A 114 GLU CG . 34246 1 90 . 1 1 28 28 GLU N N 15 118.558 0.064 . 1 . . . . A 114 GLU N . 34246 1 91 . 1 1 29 29 PRO HA H 1 3.606 0.005 . 1 . . . . A 115 PRO HA . 34246 1 92 . 1 1 29 29 PRO HB2 H 1 1.705 0.006 . 1 . . . . A 115 PRO HB2 . 34246 1 93 . 1 1 29 29 PRO HB3 H 1 2.258 0.004 . 1 . . . . A 115 PRO HB3 . 34246 1 94 . 1 1 29 29 PRO HG2 H 1 1.840 0.004 . 1 . . . . A 115 PRO HG2 . 34246 1 95 . 1 1 29 29 PRO HG3 H 1 1.996 0.007 . 1 . . . . A 115 PRO HG3 . 34246 1 96 . 1 1 29 29 PRO HD2 H 1 3.248 0.000 . 1 . . . . A 115 PRO HD2 . 34246 1 97 . 1 1 29 29 PRO HD3 H 1 3.248 0.000 . 1 . . . . A 115 PRO HD3 . 34246 1 98 . 1 1 29 29 PRO C C 13 176.925 0.000 . 1 . . . . A 115 PRO C . 34246 1 99 . 1 1 29 29 PRO CA C 13 63.571 0.042 . 1 . . . . A 115 PRO CA . 34246 1 100 . 1 1 29 29 PRO CB C 13 32.114 0.032 . 1 . . . . A 115 PRO CB . 34246 1 101 . 1 1 29 29 PRO CG C 13 28.137 0.034 . 1 . . . . A 115 PRO CG . 34246 1 102 . 1 1 29 29 PRO CD C 13 50.950 0.010 . 1 . . . . A 115 PRO CD . 34246 1 103 . 1 1 30 30 ASP H H 1 8.729 0.004 . 1 . . . . A 116 ASP H . 34246 1 104 . 1 1 30 30 ASP HA H 1 4.160 0.002 . 1 . . . . A 116 ASP HA . 34246 1 105 . 1 1 30 30 ASP HB2 H 1 2.713 0.007 . 1 . . . . A 116 ASP HB2 . 34246 1 106 . 1 1 30 30 ASP HB3 H 1 2.799 0.010 . 1 . . . . A 116 ASP HB3 . 34246 1 107 . 1 1 30 30 ASP C C 13 176.064 0.000 . 1 . . . . A 116 ASP C . 34246 1 108 . 1 1 30 30 ASP CA C 13 56.832 0.074 . 1 . . . . A 116 ASP CA . 34246 1 109 . 1 1 30 30 ASP CB C 13 39.465 0.097 . 1 . . . . A 116 ASP CB . 34246 1 110 . 1 1 30 30 ASP N N 15 117.618 0.077 . 1 . . . . A 116 ASP N . 34246 1 111 . 1 1 31 31 MET H H 1 7.425 0.004 . 1 . . . . A 117 MET H . 34246 1 112 . 1 1 31 31 MET HA H 1 4.234 0.003 . 1 . . . . A 117 MET HA . 34246 1 113 . 1 1 31 31 MET HB2 H 1 2.105 0.012 . 1 . . . . A 117 MET HB2 . 34246 1 114 . 1 1 31 31 MET HB3 H 1 1.886 0.010 . 1 . . . . A 117 MET HB3 . 34246 1 115 . 1 1 31 31 MET HG2 H 1 2.427 0.011 . 1 . . . . A 117 MET HG2 . 34246 1 116 . 1 1 31 31 MET HG3 H 1 2.469 0.000 . 1 . . . . A 117 MET HG3 . 34246 1 117 . 1 1 31 31 MET HE1 H 1 1.637 0.000 . 1 . . . . A 117 MET HE1 . 34246 1 118 . 1 1 31 31 MET HE2 H 1 1.637 0.000 . 1 . . . . A 117 MET HE2 . 34246 1 119 . 1 1 31 31 MET HE3 H 1 1.637 0.000 . 1 . . . . A 117 MET HE3 . 34246 1 120 . 1 1 31 31 MET C C 13 176.442 0.000 . 1 . . . . A 117 MET C . 34246 1 121 . 1 1 31 31 MET CA C 13 56.871 0.050 . 1 . . . . A 117 MET CA . 34246 1 122 . 1 1 31 31 MET CB C 13 34.508 0.071 . 1 . . . . A 117 MET CB . 34246 1 123 . 1 1 31 31 MET CG C 13 32.359 0.052 . 1 . . . . A 117 MET CG . 34246 1 124 . 1 1 31 31 MET N N 15 119.931 0.089 . 1 . . . . A 117 MET N . 34246 1 125 . 1 1 32 32 THR H H 1 8.663 0.004 . 1 . . . . A 118 THR H . 34246 1 126 . 1 1 32 32 THR HA H 1 4.109 0.000 . 1 . . . . A 118 THR HA . 34246 1 127 . 1 1 32 32 THR HB H 1 4.063 0.003 . 1 . . . . A 118 THR HB . 34246 1 128 . 1 1 32 32 THR HG21 H 1 1.009 0.000 . 1 . . . . A 118 THR HG21 . 34246 1 129 . 1 1 32 32 THR HG22 H 1 1.009 0.000 . 1 . . . . A 118 THR HG22 . 34246 1 130 . 1 1 32 32 THR HG23 H 1 1.009 0.000 . 1 . . . . A 118 THR HG23 . 34246 1 131 . 1 1 32 32 THR C C 13 174.059 0.000 . 1 . . . . A 118 THR C . 34246 1 132 . 1 1 32 32 THR CA C 13 61.854 0.049 . 1 . . . . A 118 THR CA . 34246 1 133 . 1 1 32 32 THR CB C 13 67.863 0.042 . 1 . . . . A 118 THR CB . 34246 1 134 . 1 1 32 32 THR CG2 C 13 21.886 0.064 . 1 . . . . A 118 THR CG2 . 34246 1 135 . 1 1 32 32 THR N N 15 121.104 0.112 . 1 . . . . A 118 THR N . 34246 1 136 . 1 1 33 33 ILE H H 1 7.702 0.007 . 1 . . . . A 119 ILE H . 34246 1 137 . 1 1 33 33 ILE HA H 1 4.172 0.004 . 1 . . . . A 119 ILE HA . 34246 1 138 . 1 1 33 33 ILE HB H 1 1.744 0.003 . 1 . . . . A 119 ILE HB . 34246 1 139 . 1 1 33 33 ILE HG12 H 1 1.104 0.000 . 1 . . . . A 119 ILE HG12 . 34246 1 140 . 1 1 33 33 ILE HG13 H 1 1.419 0.000 . 1 . . . . A 119 ILE HG13 . 34246 1 141 . 1 1 33 33 ILE HG21 H 1 0.757 0.004 . 1 . . . . A 119 ILE HG21 . 34246 1 142 . 1 1 33 33 ILE HG22 H 1 0.757 0.004 . 1 . . . . A 119 ILE HG22 . 34246 1 143 . 1 1 33 33 ILE HG23 H 1 0.757 0.004 . 1 . . . . A 119 ILE HG23 . 34246 1 144 . 1 1 33 33 ILE HD11 H 1 0.622 0.000 . 1 . . . . A 119 ILE HD11 . 34246 1 145 . 1 1 33 33 ILE HD12 H 1 0.622 0.000 . 1 . . . . A 119 ILE HD12 . 34246 1 146 . 1 1 33 33 ILE HD13 H 1 0.622 0.000 . 1 . . . . A 119 ILE HD13 . 34246 1 147 . 1 1 33 33 ILE C C 13 171.874 0.000 . 1 . . . . A 119 ILE C . 34246 1 148 . 1 1 33 33 ILE CA C 13 61.007 0.068 . 1 . . . . A 119 ILE CA . 34246 1 149 . 1 1 33 33 ILE CB C 13 40.198 0.042 . 1 . . . . A 119 ILE CB . 34246 1 150 . 1 1 33 33 ILE CG1 C 13 29.325 0.054 . 1 . . . . A 119 ILE CG1 . 34246 1 151 . 1 1 33 33 ILE CG2 C 13 16.798 0.014 . 1 . . . . A 119 ILE CG2 . 34246 1 152 . 1 1 33 33 ILE CD1 C 13 14.280 0.062 . 1 . . . . A 119 ILE CD1 . 34246 1 153 . 1 1 33 33 ILE N N 15 129.267 0.090 . 1 . . . . A 119 ILE N . 34246 1 154 . 1 1 34 34 SER H H 1 7.915 0.015 . 1 . . . . A 120 SER H . 34246 1 155 . 1 1 34 34 SER HA H 1 4.312 0.001 . 1 . . . . A 120 SER HA . 34246 1 156 . 1 1 34 34 SER HB2 H 1 4.004 0.003 . 1 . . . . A 120 SER HB2 . 34246 1 157 . 1 1 34 34 SER HB3 H 1 3.663 0.003 . 1 . . . . A 120 SER HB3 . 34246 1 158 . 1 1 34 34 SER C C 13 175.032 0.000 . 1 . . . . A 120 SER C . 34246 1 159 . 1 1 34 34 SER CA C 13 56.302 0.057 . 1 . . . . A 120 SER CA . 34246 1 160 . 1 1 34 34 SER CB C 13 66.467 0.023 . 1 . . . . A 120 SER CB . 34246 1 161 . 1 1 34 34 SER N N 15 119.934 0.070 . 1 . . . . A 120 SER N . 34246 1 162 . 1 1 35 35 LYS H H 1 8.365 0.002 . 1 . . . . A 121 LYS H . 34246 1 163 . 1 1 35 35 LYS HB2 H 1 2.039 0.000 . 1 . . . . A 121 LYS HB2 . 34246 1 164 . 1 1 35 35 LYS HB3 H 1 2.039 0.000 . 1 . . . . A 121 LYS HB3 . 34246 1 165 . 1 1 35 35 LYS HG2 H 1 0.658 0.000 . 1 . . . . A 121 LYS HG2 . 34246 1 166 . 1 1 35 35 LYS HG3 H 1 1.162 0.000 . 1 . . . . A 121 LYS HG3 . 34246 1 167 . 1 1 35 35 LYS HE2 H 1 2.966 0.000 . 1 . . . . A 121 LYS HE2 . 34246 1 168 . 1 1 35 35 LYS HE3 H 1 2.966 0.000 . 1 . . . . A 121 LYS HE3 . 34246 1 169 . 1 1 35 35 LYS C C 13 178.667 0.000 . 1 . . . . A 121 LYS C . 34246 1 170 . 1 1 35 35 LYS CA C 13 59.550 0.058 . 1 . . . . A 121 LYS CA . 34246 1 171 . 1 1 35 35 LYS CB C 13 31.805 0.043 . 1 . . . . A 121 LYS CB . 34246 1 172 . 1 1 35 35 LYS CG C 13 23.865 0.000 . 1 . . . . A 121 LYS CG . 34246 1 173 . 1 1 35 35 LYS CD C 13 28.095 0.000 . 1 . . . . A 121 LYS CD . 34246 1 174 . 1 1 35 35 LYS CE C 13 41.613 0.000 . 1 . . . . A 121 LYS CE . 34246 1 175 . 1 1 35 35 LYS N N 15 123.763 0.056 . 1 . . . . A 121 LYS N . 34246 1 176 . 1 1 36 36 ASN H H 1 8.098 0.004 . 1 . . . . A 122 ASN H . 34246 1 177 . 1 1 36 36 ASN HA H 1 4.057 0.000 . 1 . . . . A 122 ASN HA . 34246 1 178 . 1 1 36 36 ASN HB2 H 1 2.466 0.002 . 1 . . . . A 122 ASN HB2 . 34246 1 179 . 1 1 36 36 ASN HB3 H 1 2.466 0.002 . 1 . . . . A 122 ASN HB3 . 34246 1 180 . 1 1 36 36 ASN C C 13 179.360 0.000 . 1 . . . . A 122 ASN C . 34246 1 181 . 1 1 36 36 ASN CA C 13 56.068 0.030 . 1 . . . . A 122 ASN CA . 34246 1 182 . 1 1 36 36 ASN CB C 13 37.777 0.045 . 1 . . . . A 122 ASN CB . 34246 1 183 . 1 1 36 36 ASN N N 15 115.141 0.060 . 1 . . . . A 122 ASN N . 34246 1 184 . 1 1 37 37 GLU H H 1 7.452 0.002 . 1 . . . . A 123 GLU H . 34246 1 185 . 1 1 37 37 GLU HA H 1 3.721 0.003 . 1 . . . . A 123 GLU HA . 34246 1 186 . 1 1 37 37 GLU HB2 H 1 2.049 0.005 . 1 . . . . A 123 GLU HB2 . 34246 1 187 . 1 1 37 37 GLU HB3 H 1 1.735 0.008 . 1 . . . . A 123 GLU HB3 . 34246 1 188 . 1 1 37 37 GLU HG2 H 1 2.102 0.002 . 1 . . . . A 123 GLU HG2 . 34246 1 189 . 1 1 37 37 GLU HG3 H 1 2.102 0.002 . 1 . . . . A 123 GLU HG3 . 34246 1 190 . 1 1 37 37 GLU C C 13 179.799 0.000 . 1 . . . . A 123 GLU C . 34246 1 191 . 1 1 37 37 GLU CA C 13 59.043 0.057 . 1 . . . . A 123 GLU CA . 34246 1 192 . 1 1 37 37 GLU CB C 13 29.919 0.044 . 1 . . . . A 123 GLU CB . 34246 1 193 . 1 1 37 37 GLU CG C 13 37.123 0.025 . 1 . . . . A 123 GLU CG . 34246 1 194 . 1 1 37 37 GLU N N 15 121.136 0.055 . 1 . . . . A 123 GLU N . 34246 1 195 . 1 1 38 38 MET H H 1 8.392 0.004 . 1 . . . . A 124 MET H . 34246 1 196 . 1 1 38 38 MET HA H 1 4.191 0.004 . 1 . . . . A 124 MET HA . 34246 1 197 . 1 1 38 38 MET HB2 H 1 2.464 0.000 . 1 . . . . A 124 MET HB2 . 34246 1 198 . 1 1 38 38 MET HB3 H 1 2.464 0.000 . 1 . . . . A 124 MET HB3 . 34246 1 199 . 1 1 38 38 MET CA C 13 56.773 0.023 . 1 . . . . A 124 MET CA . 34246 1 200 . 1 1 38 38 MET CB C 13 30.741 0.094 . 1 . . . . A 124 MET CB . 34246 1 201 . 1 1 38 38 MET N N 15 123.090 0.073 . 1 . . . . A 124 MET N . 34246 1 202 . 1 1 39 39 VAL HA H 1 2.974 0.003 . 1 . . . . A 125 VAL HA . 34246 1 203 . 1 1 39 39 VAL HB H 1 2.035 0.003 . 1 . . . . A 125 VAL HB . 34246 1 204 . 1 1 39 39 VAL HG11 H 1 0.927 0.012 . 2 . . . . A 125 VAL HG11 . 34246 1 205 . 1 1 39 39 VAL HG12 H 1 0.927 0.012 . 2 . . . . A 125 VAL HG12 . 34246 1 206 . 1 1 39 39 VAL HG13 H 1 0.927 0.012 . 2 . . . . A 125 VAL HG13 . 34246 1 207 . 1 1 39 39 VAL HG21 H 1 0.869 0.000 . 2 . . . . A 125 VAL HG21 . 34246 1 208 . 1 1 39 39 VAL HG22 H 1 0.869 0.000 . 2 . . . . A 125 VAL HG22 . 34246 1 209 . 1 1 39 39 VAL HG23 H 1 0.869 0.000 . 2 . . . . A 125 VAL HG23 . 34246 1 210 . 1 1 39 39 VAL C C 13 177.797 0.000 . 1 . . . . A 125 VAL C . 34246 1 211 . 1 1 39 39 VAL CA C 13 67.724 0.067 . 1 . . . . A 125 VAL CA . 34246 1 212 . 1 1 39 39 VAL CB C 13 31.661 0.017 . 1 . . . . A 125 VAL CB . 34246 1 213 . 1 1 39 39 VAL CG1 C 13 23.761 0.033 . 2 . . . . A 125 VAL CG1 . 34246 1 214 . 1 1 39 39 VAL CG2 C 13 21.174 0.012 . 2 . . . . A 125 VAL CG2 . 34246 1 215 . 1 1 40 40 LYS H H 1 6.908 0.004 . 1 . . . . A 126 LYS H . 34246 1 216 . 1 1 40 40 LYS HA H 1 3.944 0.007 . 1 . . . . A 126 LYS HA . 34246 1 217 . 1 1 40 40 LYS HB2 H 1 1.685 0.003 . 1 . . . . A 126 LYS HB2 . 34246 1 218 . 1 1 40 40 LYS HB3 H 1 1.732 0.003 . 1 . . . . A 126 LYS HB3 . 34246 1 219 . 1 1 40 40 LYS HG2 H 1 1.411 0.005 . 1 . . . . A 126 LYS HG2 . 34246 1 220 . 1 1 40 40 LYS HG3 H 1 1.323 0.002 . 1 . . . . A 126 LYS HG3 . 34246 1 221 . 1 1 40 40 LYS HD2 H 1 1.472 0.000 . 1 . . . . A 126 LYS HD2 . 34246 1 222 . 1 1 40 40 LYS HD3 H 1 1.519 0.000 . 1 . . . . A 126 LYS HD3 . 34246 1 223 . 1 1 40 40 LYS HE2 H 1 2.760 0.000 . 1 . . . . A 126 LYS HE2 . 34246 1 224 . 1 1 40 40 LYS HE3 H 1 2.790 0.000 . 1 . . . . A 126 LYS HE3 . 34246 1 225 . 1 1 40 40 LYS C C 13 180.236 0.000 . 1 . . . . A 126 LYS C . 34246 1 226 . 1 1 40 40 LYS CA C 13 58.995 0.065 . 1 . . . . A 126 LYS CA . 34246 1 227 . 1 1 40 40 LYS CB C 13 31.947 0.053 . 1 . . . . A 126 LYS CB . 34246 1 228 . 1 1 40 40 LYS CG C 13 25.053 0.040 . 1 . . . . A 126 LYS CG . 34246 1 229 . 1 1 40 40 LYS CD C 13 28.827 0.007 . 1 . . . . A 126 LYS CD . 34246 1 230 . 1 1 40 40 LYS CE C 13 42.115 0.000 . 1 . . . . A 126 LYS CE . 34246 1 231 . 1 1 40 40 LYS N N 15 116.856 0.053 . 1 . . . . A 126 LYS N . 34246 1 232 . 1 1 41 41 LEU H H 1 7.842 0.005 . 1 . . . . A 127 LEU H . 34246 1 233 . 1 1 41 41 LEU HA H 1 3.957 0.006 . 1 . . . . A 127 LEU HA . 34246 1 234 . 1 1 41 41 LEU HB2 H 1 1.462 0.002 . 1 . . . . A 127 LEU HB2 . 34246 1 235 . 1 1 41 41 LEU HB3 H 1 1.636 0.000 . 1 . . . . A 127 LEU HB3 . 34246 1 236 . 1 1 41 41 LEU HG H 1 1.268 0.000 . 1 . . . . A 127 LEU HG . 34246 1 237 . 1 1 41 41 LEU HD11 H 1 0.672 0.006 . 2 . . . . A 127 LEU HD11 . 34246 1 238 . 1 1 41 41 LEU HD12 H 1 0.672 0.006 . 2 . . . . A 127 LEU HD12 . 34246 1 239 . 1 1 41 41 LEU HD13 H 1 0.672 0.006 . 2 . . . . A 127 LEU HD13 . 34246 1 240 . 1 1 41 41 LEU HD21 H 1 0.600 0.009 . 2 . . . . A 127 LEU HD21 . 34246 1 241 . 1 1 41 41 LEU HD22 H 1 0.600 0.009 . 2 . . . . A 127 LEU HD22 . 34246 1 242 . 1 1 41 41 LEU HD23 H 1 0.600 0.009 . 2 . . . . A 127 LEU HD23 . 34246 1 243 . 1 1 41 41 LEU C C 13 180.232 0.000 . 1 . . . . A 127 LEU C . 34246 1 244 . 1 1 41 41 LEU CA C 13 58.228 0.074 . 1 . . . . A 127 LEU CA . 34246 1 245 . 1 1 41 41 LEU CB C 13 41.882 0.013 . 1 . . . . A 127 LEU CB . 34246 1 246 . 1 1 41 41 LEU CG C 13 27.253 0.000 . 1 . . . . A 127 LEU CG . 34246 1 247 . 1 1 41 41 LEU CD1 C 13 24.421 0.242 . 2 . . . . A 127 LEU CD1 . 34246 1 248 . 1 1 41 41 LEU CD2 C 13 24.573 0.361 . 2 . . . . A 127 LEU CD2 . 34246 1 249 . 1 1 41 41 LEU N N 15 123.782 0.048 . 1 . . . . A 127 LEU N . 34246 1 250 . 1 1 42 42 LEU H H 1 8.380 0.004 . 1 . . . . A 128 LEU H . 34246 1 251 . 1 1 42 42 LEU HA H 1 3.520 0.003 . 1 . . . . A 128 LEU HA . 34246 1 252 . 1 1 42 42 LEU HB2 H 1 1.157 0.007 . 1 . . . . A 128 LEU HB2 . 34246 1 253 . 1 1 42 42 LEU HB3 H 1 0.382 0.007 . 1 . . . . A 128 LEU HB3 . 34246 1 254 . 1 1 42 42 LEU HG H 1 1.025 0.003 . 1 . . . . A 128 LEU HG . 34246 1 255 . 1 1 42 42 LEU HD11 H 1 -0.387 0.007 . 2 . . . . A 128 LEU HD11 . 34246 1 256 . 1 1 42 42 LEU HD12 H 1 -0.387 0.007 . 2 . . . . A 128 LEU HD12 . 34246 1 257 . 1 1 42 42 LEU HD13 H 1 -0.387 0.007 . 2 . . . . A 128 LEU HD13 . 34246 1 258 . 1 1 42 42 LEU HD21 H 1 -0.189 0.008 . 2 . . . . A 128 LEU HD21 . 34246 1 259 . 1 1 42 42 LEU HD22 H 1 -0.189 0.008 . 2 . . . . A 128 LEU HD22 . 34246 1 260 . 1 1 42 42 LEU HD23 H 1 -0.189 0.008 . 2 . . . . A 128 LEU HD23 . 34246 1 261 . 1 1 42 42 LEU C C 13 180.792 0.000 . 1 . . . . A 128 LEU C . 34246 1 262 . 1 1 42 42 LEU CA C 13 58.017 0.067 . 1 . . . . A 128 LEU CA . 34246 1 263 . 1 1 42 42 LEU CB C 13 40.336 0.066 . 1 . . . . A 128 LEU CB . 34246 1 264 . 1 1 42 42 LEU CG C 13 26.411 0.075 . 1 . . . . A 128 LEU CG . 34246 1 265 . 1 1 42 42 LEU CD1 C 13 25.103 0.063 . 2 . . . . A 128 LEU CD1 . 34246 1 266 . 1 1 42 42 LEU CD2 C 13 22.996 0.005 . 2 . . . . A 128 LEU CD2 . 34246 1 267 . 1 1 42 42 LEU N N 15 122.417 0.053 . 1 . . . . A 128 LEU N . 34246 1 268 . 1 1 43 43 GLU H H 1 8.455 0.003 . 1 . . . . A 129 GLU H . 34246 1 269 . 1 1 43 43 GLU HA H 1 4.450 0.007 . 1 . . . . A 129 GLU HA . 34246 1 270 . 1 1 43 43 GLU HB2 H 1 2.113 0.003 . 1 . . . . A 129 GLU HB2 . 34246 1 271 . 1 1 43 43 GLU HB3 H 1 1.940 0.009 . 1 . . . . A 129 GLU HB3 . 34246 1 272 . 1 1 43 43 GLU HG2 H 1 2.313 0.002 . 1 . . . . A 129 GLU HG2 . 34246 1 273 . 1 1 43 43 GLU HG3 H 1 2.761 0.002 . 1 . . . . A 129 GLU HG3 . 34246 1 274 . 1 1 43 43 GLU C C 13 181.800 0.000 . 1 . . . . A 129 GLU C . 34246 1 275 . 1 1 43 43 GLU CA C 13 59.755 0.070 . 1 . . . . A 129 GLU CA . 34246 1 276 . 1 1 43 43 GLU CB C 13 29.287 0.137 . 1 . . . . A 129 GLU CB . 34246 1 277 . 1 1 43 43 GLU CG C 13 37.452 0.038 . 1 . . . . A 129 GLU CG . 34246 1 278 . 1 1 43 43 GLU N N 15 121.277 0.052 . 1 . . . . A 129 GLU N . 34246 1 279 . 1 1 44 44 ALA H H 1 8.175 0.003 . 1 . . . . A 130 ALA H . 34246 1 280 . 1 1 44 44 ALA HA H 1 4.196 0.003 . 1 . . . . A 130 ALA HA . 34246 1 281 . 1 1 44 44 ALA HB1 H 1 1.444 0.006 . 1 . . . . A 130 ALA HB1 . 34246 1 282 . 1 1 44 44 ALA HB2 H 1 1.444 0.006 . 1 . . . . A 130 ALA HB2 . 34246 1 283 . 1 1 44 44 ALA HB3 H 1 1.444 0.006 . 1 . . . . A 130 ALA HB3 . 34246 1 284 . 1 1 44 44 ALA C C 13 179.097 0.000 . 1 . . . . A 130 ALA C . 34246 1 285 . 1 1 44 44 ALA CA C 13 54.440 0.073 . 1 . . . . A 130 ALA CA . 34246 1 286 . 1 1 44 44 ALA CB C 13 18.331 0.032 . 1 . . . . A 130 ALA CB . 34246 1 287 . 1 1 44 44 ALA N N 15 123.472 0.058 . 1 . . . . A 130 ALA N . 34246 1 288 . 1 1 45 45 THR H H 1 7.586 0.002 . 1 . . . . A 131 THR H . 34246 1 289 . 1 1 45 45 THR HA H 1 4.307 0.021 . 1 . . . . A 131 THR HA . 34246 1 290 . 1 1 45 45 THR HB H 1 4.269 0.009 . 1 . . . . A 131 THR HB . 34246 1 291 . 1 1 45 45 THR HG21 H 1 1.216 0.017 . 1 . . . . A 131 THR HG21 . 34246 1 292 . 1 1 45 45 THR HG22 H 1 1.216 0.017 . 1 . . . . A 131 THR HG22 . 34246 1 293 . 1 1 45 45 THR HG23 H 1 1.216 0.017 . 1 . . . . A 131 THR HG23 . 34246 1 294 . 1 1 45 45 THR C C 13 173.612 0.000 . 1 . . . . A 131 THR C . 34246 1 295 . 1 1 45 45 THR CA C 13 61.032 0.067 . 1 . . . . A 131 THR CA . 34246 1 296 . 1 1 45 45 THR CB C 13 68.711 0.064 . 1 . . . . A 131 THR CB . 34246 1 297 . 1 1 45 45 THR CG2 C 13 23.330 0.050 . 1 . . . . A 131 THR CG2 . 34246 1 298 . 1 1 45 45 THR N N 15 112.711 0.192 . 1 . . . . A 131 THR N . 34246 1 299 . 1 1 46 46 GLN H H 1 7.785 0.004 . 1 . . . . A 132 GLN H . 34246 1 300 . 1 1 46 46 GLN HA H 1 3.768 0.001 . 1 . . . . A 132 GLN HA . 34246 1 301 . 1 1 46 46 GLN HB2 H 1 2.141 0.001 . 1 . . . . A 132 GLN HB2 . 34246 1 302 . 1 1 46 46 GLN HB3 H 1 2.141 0.001 . 1 . . . . A 132 GLN HB3 . 34246 1 303 . 1 1 46 46 GLN HG2 H 1 2.131 0.004 . 1 . . . . A 132 GLN HG2 . 34246 1 304 . 1 1 46 46 GLN HG3 H 1 2.132 0.004 . 1 . . . . A 132 GLN HG3 . 34246 1 305 . 1 1 46 46 GLN C C 13 176.564 0.000 . 1 . . . . A 132 GLN C . 34246 1 306 . 1 1 46 46 GLN CA C 13 57.834 0.029 . 1 . . . . A 132 GLN CA . 34246 1 307 . 1 1 46 46 GLN CB C 13 24.844 0.038 . 1 . . . . A 132 GLN CB . 34246 1 308 . 1 1 46 46 GLN CG C 13 34.812 0.042 . 1 . . . . A 132 GLN CG . 34246 1 309 . 1 1 46 46 GLN N N 15 111.845 0.060 . 1 . . . . A 132 GLN N . 34246 1 310 . 1 1 47 47 TYR H H 1 8.348 0.008 . 1 . . . . A 133 TYR H . 34246 1 311 . 1 1 47 47 TYR HA H 1 4.584 0.009 . 1 . . . . A 133 TYR HA . 34246 1 312 . 1 1 47 47 TYR HB2 H 1 2.766 0.002 . 1 . . . . A 133 TYR HB2 . 34246 1 313 . 1 1 47 47 TYR HB3 H 1 2.631 0.004 . 1 . . . . A 133 TYR HB3 . 34246 1 314 . 1 1 47 47 TYR HD1 H 1 6.822 0.000 . 3 . . . . A 133 TYR HD1 . 34246 1 315 . 1 1 47 47 TYR HD2 H 1 6.822 0.000 . 3 . . . . A 133 TYR HD2 . 34246 1 316 . 1 1 47 47 TYR HE1 H 1 6.948 0.000 . 3 . . . . A 133 TYR HE1 . 34246 1 317 . 1 1 47 47 TYR HE2 H 1 6.948 0.000 . 3 . . . . A 133 TYR HE2 . 34246 1 318 . 1 1 47 47 TYR C C 13 176.268 0.000 . 1 . . . . A 133 TYR C . 34246 1 319 . 1 1 47 47 TYR CA C 13 58.961 0.051 . 1 . . . . A 133 TYR CA . 34246 1 320 . 1 1 47 47 TYR CB C 13 40.254 0.046 . 1 . . . . A 133 TYR CB . 34246 1 321 . 1 1 47 47 TYR CD1 C 13 132.606 0.000 . 3 . . . . A 133 TYR CD1 . 34246 1 322 . 1 1 47 47 TYR CD2 C 13 132.606 0.000 . 3 . . . . A 133 TYR CD2 . 34246 1 323 . 1 1 47 47 TYR CE1 C 13 117.885 0.000 . 3 . . . . A 133 TYR CE1 . 34246 1 324 . 1 1 47 47 TYR CE2 C 13 117.885 0.000 . 3 . . . . A 133 TYR CE2 . 34246 1 325 . 1 1 47 47 TYR N N 15 120.141 0.075 . 1 . . . . A 133 TYR N . 34246 1 326 . 1 1 48 48 ARG H H 1 8.685 0.004 . 1 . . . . A 134 ARG H . 34246 1 327 . 1 1 48 48 ARG HA H 1 4.355 0.000 . 1 . . . . A 134 ARG HA . 34246 1 328 . 1 1 48 48 ARG HB2 H 1 0.875 0.000 . 1 . . . . A 134 ARG HB2 . 34246 1 329 . 1 1 48 48 ARG HB3 H 1 1.756 0.000 . 1 . . . . A 134 ARG HB3 . 34246 1 330 . 1 1 48 48 ARG C C 13 175.548 0.000 . 1 . . . . A 134 ARG C . 34246 1 331 . 1 1 48 48 ARG CA C 13 54.737 0.135 . 1 . . . . A 134 ARG CA . 34246 1 332 . 1 1 48 48 ARG CB C 13 33.744 0.155 . 1 . . . . A 134 ARG CB . 34246 1 333 . 1 1 48 48 ARG CG C 13 27.703 0.000 . 1 . . . . A 134 ARG CG . 34246 1 334 . 1 1 48 48 ARG CD C 13 43.379 0.000 . 1 . . . . A 134 ARG CD . 34246 1 335 . 1 1 48 48 ARG N N 15 121.393 0.073 . 1 . . . . A 134 ARG N . 34246 1 336 . 1 1 49 49 GLN H H 1 8.604 0.007 . 1 . . . . A 135 GLN H . 34246 1 337 . 1 1 49 49 GLN HA H 1 3.169 0.003 . 1 . . . . A 135 GLN HA . 34246 1 338 . 1 1 49 49 GLN HB2 H 1 1.399 0.012 . 1 . . . . A 135 GLN HB2 . 34246 1 339 . 1 1 49 49 GLN HB3 H 1 1.311 0.017 . 1 . . . . A 135 GLN HB3 . 34246 1 340 . 1 1 49 49 GLN HG2 H 1 1.519 0.005 . 1 . . . . A 135 GLN HG2 . 34246 1 341 . 1 1 49 49 GLN HG3 H 1 1.800 0.006 . 1 . . . . A 135 GLN HG3 . 34246 1 342 . 1 1 49 49 GLN C C 13 176.690 0.000 . 1 . . . . A 135 GLN C . 34246 1 343 . 1 1 49 49 GLN CA C 13 55.174 0.057 . 1 . . . . A 135 GLN CA . 34246 1 344 . 1 1 49 49 GLN CB C 13 27.577 0.101 . 1 . . . . A 135 GLN CB . 34246 1 345 . 1 1 49 49 GLN CG C 13 33.948 0.057 . 1 . . . . A 135 GLN CG . 34246 1 346 . 1 1 49 49 GLN N N 15 127.513 0.094 . 1 . . . . A 135 GLN N . 34246 1 347 . 1 1 50 50 VAL H H 1 8.576 0.003 . 1 . . . . A 136 VAL H . 34246 1 348 . 1 1 50 50 VAL HA H 1 4.566 0.003 . 1 . . . . A 136 VAL HA . 34246 1 349 . 1 1 50 50 VAL HB H 1 2.071 0.003 . 1 . . . . A 136 VAL HB . 34246 1 350 . 1 1 50 50 VAL HG11 H 1 0.377 0.003 . 2 . . . . A 136 VAL HG11 . 34246 1 351 . 1 1 50 50 VAL HG12 H 1 0.377 0.003 . 2 . . . . A 136 VAL HG12 . 34246 1 352 . 1 1 50 50 VAL HG13 H 1 0.377 0.003 . 2 . . . . A 136 VAL HG13 . 34246 1 353 . 1 1 50 50 VAL HG21 H 1 0.662 0.003 . 2 . . . . A 136 VAL HG21 . 34246 1 354 . 1 1 50 50 VAL HG22 H 1 0.662 0.003 . 2 . . . . A 136 VAL HG22 . 34246 1 355 . 1 1 50 50 VAL HG23 H 1 0.662 0.003 . 2 . . . . A 136 VAL HG23 . 34246 1 356 . 1 1 50 50 VAL C C 13 175.993 0.000 . 1 . . . . A 136 VAL C . 34246 1 357 . 1 1 50 50 VAL CA C 13 58.956 0.046 . 1 . . . . A 136 VAL CA . 34246 1 358 . 1 1 50 50 VAL CB C 13 36.396 0.041 . 1 . . . . A 136 VAL CB . 34246 1 359 . 1 1 50 50 VAL CG1 C 13 18.984 0.033 . 2 . . . . A 136 VAL CG1 . 34246 1 360 . 1 1 50 50 VAL CG2 C 13 21.774 0.031 . 2 . . . . A 136 VAL CG2 . 34246 1 361 . 1 1 50 50 VAL N N 15 121.558 0.058 . 1 . . . . A 136 VAL N . 34246 1 362 . 1 1 51 51 SER HA H 1 4.282 0.008 . 1 . . . . A 137 SER HA . 34246 1 363 . 1 1 51 51 SER HB2 H 1 3.695 0.004 . 1 . . . . A 137 SER HB2 . 34246 1 364 . 1 1 51 51 SER HB3 H 1 3.695 0.004 . 1 . . . . A 137 SER HB3 . 34246 1 365 . 1 1 51 51 SER C C 13 175.294 0.000 . 1 . . . . A 137 SER C . 34246 1 366 . 1 1 51 51 SER CA C 13 60.079 0.094 . 1 . . . . A 137 SER CA . 34246 1 367 . 1 1 51 51 SER CB C 13 63.402 0.017 . 1 . . . . A 137 SER CB . 34246 1 368 . 1 1 52 52 LYS H H 1 7.212 0.003 . 1 . . . . A 138 LYS H . 34246 1 369 . 1 1 52 52 LYS HA H 1 4.279 0.003 . 1 . . . . A 138 LYS HA . 34246 1 370 . 1 1 52 52 LYS HB2 H 1 1.463 0.010 . 1 . . . . A 138 LYS HB2 . 34246 1 371 . 1 1 52 52 LYS HB3 H 1 1.463 0.011 . 1 . . . . A 138 LYS HB3 . 34246 1 372 . 1 1 52 52 LYS HG2 H 1 0.940 0.005 . 1 . . . . A 138 LYS HG2 . 34246 1 373 . 1 1 52 52 LYS HG3 H 1 1.159 0.000 . 1 . . . . A 138 LYS HG3 . 34246 1 374 . 1 1 52 52 LYS HD2 H 1 1.154 0.006 . 1 . . . . A 138 LYS HD2 . 34246 1 375 . 1 1 52 52 LYS HD3 H 1 1.154 0.006 . 1 . . . . A 138 LYS HD3 . 34246 1 376 . 1 1 52 52 LYS HE2 H 1 2.731 0.004 . 1 . . . . A 138 LYS HE2 . 34246 1 377 . 1 1 52 52 LYS HE3 H 1 2.731 0.004 . 1 . . . . A 138 LYS HE3 . 34246 1 378 . 1 1 52 52 LYS C C 13 174.780 0.000 . 1 . . . . A 138 LYS C . 34246 1 379 . 1 1 52 52 LYS CA C 13 55.646 0.061 . 1 . . . . A 138 LYS CA . 34246 1 380 . 1 1 52 52 LYS CB C 13 34.504 0.054 . 1 . . . . A 138 LYS CB . 34246 1 381 . 1 1 52 52 LYS CG C 13 24.583 0.015 . 1 . . . . A 138 LYS CG . 34246 1 382 . 1 1 52 52 LYS CD C 13 29.339 0.000 . 1 . . . . A 138 LYS CD . 34246 1 383 . 1 1 52 52 LYS CE C 13 42.178 0.003 . 1 . . . . A 138 LYS CE . 34246 1 384 . 1 1 52 52 LYS N N 15 122.393 0.068 . 1 . . . . A 138 LYS N . 34246 1 385 . 1 1 53 53 MET H H 1 8.670 0.003 . 1 . . . . A 139 MET H . 34246 1 386 . 1 1 53 53 MET HA H 1 4.393 0.003 . 1 . . . . A 139 MET HA . 34246 1 387 . 1 1 53 53 MET HB2 H 1 1.536 0.004 . 1 . . . . A 139 MET HB2 . 34246 1 388 . 1 1 53 53 MET HB3 H 1 1.837 0.006 . 1 . . . . A 139 MET HB3 . 34246 1 389 . 1 1 53 53 MET HG2 H 1 2.334 0.001 . 1 . . . . A 139 MET HG2 . 34246 1 390 . 1 1 53 53 MET HG3 H 1 2.336 0.000 . 1 . . . . A 139 MET HG3 . 34246 1 391 . 1 1 53 53 MET HE1 H 1 2.154 0.000 . 1 . . . . A 139 MET HE1 . 34246 1 392 . 1 1 53 53 MET HE2 H 1 2.154 0.000 . 1 . . . . A 139 MET HE2 . 34246 1 393 . 1 1 53 53 MET HE3 H 1 2.154 0.000 . 1 . . . . A 139 MET HE3 . 34246 1 394 . 1 1 53 53 MET C C 13 176.358 0.000 . 1 . . . . A 139 MET C . 34246 1 395 . 1 1 53 53 MET CA C 13 55.937 0.055 . 1 . . . . A 139 MET CA . 34246 1 396 . 1 1 53 53 MET CB C 13 34.193 0.032 . 1 . . . . A 139 MET CB . 34246 1 397 . 1 1 53 53 MET CG C 13 31.472 0.015 . 1 . . . . A 139 MET CG . 34246 1 398 . 1 1 53 53 MET N N 15 126.788 0.070 . 1 . . . . A 139 MET N . 34246 1 399 . 1 1 54 54 THR H H 1 9.608 0.003 . 1 . . . . A 140 THR H . 34246 1 400 . 1 1 54 54 THR HA H 1 4.322 0.003 . 1 . . . . A 140 THR HA . 34246 1 401 . 1 1 54 54 THR HB H 1 4.057 0.008 . 1 . . . . A 140 THR HB . 34246 1 402 . 1 1 54 54 THR HG21 H 1 0.926 0.011 . 1 . . . . A 140 THR HG21 . 34246 1 403 . 1 1 54 54 THR HG22 H 1 0.926 0.011 . 1 . . . . A 140 THR HG22 . 34246 1 404 . 1 1 54 54 THR HG23 H 1 0.926 0.011 . 1 . . . . A 140 THR HG23 . 34246 1 405 . 1 1 54 54 THR C C 13 174.313 0.000 . 1 . . . . A 140 THR C . 34246 1 406 . 1 1 54 54 THR CA C 13 62.152 0.050 . 1 . . . . A 140 THR CA . 34246 1 407 . 1 1 54 54 THR CB C 13 72.208 0.018 . 1 . . . . A 140 THR CB . 34246 1 408 . 1 1 54 54 THR CG2 C 13 21.594 0.043 . 1 . . . . A 140 THR CG2 . 34246 1 409 . 1 1 54 54 THR N N 15 115.722 0.066 . 1 . . . . A 140 THR N . 34246 1 410 . 1 1 55 55 ARG H H 1 7.833 0.004 . 1 . . . . A 141 ARG H . 34246 1 411 . 1 1 55 55 ARG HA H 1 4.796 0.003 . 1 . . . . A 141 ARG HA . 34246 1 412 . 1 1 55 55 ARG HB2 H 1 1.648 0.000 . 1 . . . . A 141 ARG HB2 . 34246 1 413 . 1 1 55 55 ARG HB3 H 1 1.648 0.000 . 1 . . . . A 141 ARG HB3 . 34246 1 414 . 1 1 55 55 ARG HG2 H 1 1.361 0.000 . 1 . . . . A 141 ARG HG2 . 34246 1 415 . 1 1 55 55 ARG HG3 H 1 1.404 0.005 . 1 . . . . A 141 ARG HG3 . 34246 1 416 . 1 1 55 55 ARG HD2 H 1 2.950 0.000 . 1 . . . . A 141 ARG HD2 . 34246 1 417 . 1 1 55 55 ARG HD3 H 1 2.965 0.000 . 1 . . . . A 141 ARG HD3 . 34246 1 418 . 1 1 55 55 ARG C C 13 172.167 0.000 . 1 . . . . A 141 ARG C . 34246 1 419 . 1 1 55 55 ARG CA C 13 53.283 0.043 . 1 . . . . A 141 ARG CA . 34246 1 420 . 1 1 55 55 ARG CB C 13 31.529 0.024 . 1 . . . . A 141 ARG CB . 34246 1 421 . 1 1 55 55 ARG CG C 13 25.905 0.031 . 1 . . . . A 141 ARG CG . 34246 1 422 . 1 1 55 55 ARG CD C 13 43.584 0.073 . 1 . . . . A 141 ARG CD . 34246 1 423 . 1 1 55 55 ARG N N 15 123.807 0.058 . 1 . . . . A 141 ARG N . 34246 1 424 . 1 1 56 56 PRO HA H 1 4.135 0.002 . 1 . . . . A 142 PRO HA . 34246 1 425 . 1 1 56 56 PRO HB2 H 1 1.784 0.003 . 1 . . . . A 142 PRO HB2 . 34246 1 426 . 1 1 56 56 PRO HB3 H 1 2.028 0.005 . 1 . . . . A 142 PRO HB3 . 34246 1 427 . 1 1 56 56 PRO C C 13 177.927 0.000 . 1 . . . . A 142 PRO C . 34246 1 428 . 1 1 56 56 PRO CA C 13 62.517 0.037 . 1 . . . . A 142 PRO CA . 34246 1 429 . 1 1 56 56 PRO CB C 13 32.362 0.039 . 1 . . . . A 142 PRO CB . 34246 1 430 . 1 1 56 56 PRO CG C 13 27.762 0.031 . 1 . . . . A 142 PRO CG . 34246 1 431 . 1 1 56 56 PRO CD C 13 50.586 0.061 . 1 . . . . A 142 PRO CD . 34246 1 432 . 1 1 57 57 GLY H H 1 8.717 0.004 . 1 . . . . A 143 GLY H . 34246 1 433 . 1 1 57 57 GLY HA2 H 1 3.205 0.009 . 1 . . . . A 143 GLY HA2 . 34246 1 434 . 1 1 57 57 GLY HA3 H 1 4.276 0.007 . 1 . . . . A 143 GLY HA3 . 34246 1 435 . 1 1 57 57 GLY C C 13 173.670 0.000 . 1 . . . . A 143 GLY C . 34246 1 436 . 1 1 57 57 GLY CA C 13 45.188 0.040 . 1 . . . . A 143 GLY CA . 34246 1 437 . 1 1 57 57 GLY N N 15 108.963 0.068 . 1 . . . . A 143 GLY N . 34246 1 438 . 1 1 58 58 GLU H H 1 7.384 0.003 . 1 . . . . A 144 GLU H . 34246 1 439 . 1 1 58 58 GLU HA H 1 5.593 0.002 . 1 . . . . A 144 GLU HA . 34246 1 440 . 1 1 58 58 GLU HB2 H 1 1.877 0.006 . 1 . . . . A 144 GLU HB2 . 34246 1 441 . 1 1 58 58 GLU HB3 H 1 2.281 0.004 . 1 . . . . A 144 GLU HB3 . 34246 1 442 . 1 1 58 58 GLU HG2 H 1 2.111 0.004 . 1 . . . . A 144 GLU HG2 . 34246 1 443 . 1 1 58 58 GLU HG3 H 1 1.961 0.006 . 1 . . . . A 144 GLU HG3 . 34246 1 444 . 1 1 58 58 GLU C C 13 175.510 0.000 . 1 . . . . A 144 GLU C . 34246 1 445 . 1 1 58 58 GLU CA C 13 54.620 0.082 . 1 . . . . A 144 GLU CA . 34246 1 446 . 1 1 58 58 GLU CB C 13 33.859 0.034 . 1 . . . . A 144 GLU CB . 34246 1 447 . 1 1 58 58 GLU CG C 13 37.180 0.107 . 1 . . . . A 144 GLU CG . 34246 1 448 . 1 1 58 58 GLU N N 15 121.911 0.059 . 1 . . . . A 144 GLU N . 34246 1 449 . 1 1 59 59 PHE H H 1 8.421 0.003 . 1 . . . . A 145 PHE H . 34246 1 450 . 1 1 59 59 PHE HA H 1 5.715 0.003 . 1 . . . . A 145 PHE HA . 34246 1 451 . 1 1 59 59 PHE HB2 H 1 3.227 0.004 . 1 . . . . A 145 PHE HB2 . 34246 1 452 . 1 1 59 59 PHE HB3 H 1 2.719 0.006 . 1 . . . . A 145 PHE HB3 . 34246 1 453 . 1 1 59 59 PHE HD1 H 1 6.899 0.000 . 3 . . . . A 145 PHE HD1 . 34246 1 454 . 1 1 59 59 PHE HD2 H 1 6.899 0.000 . 3 . . . . A 145 PHE HD2 . 34246 1 455 . 1 1 59 59 PHE HE1 H 1 6.826 0.000 . 3 . . . . A 145 PHE HE1 . 34246 1 456 . 1 1 59 59 PHE HE2 H 1 6.826 0.000 . 3 . . . . A 145 PHE HE2 . 34246 1 457 . 1 1 59 59 PHE HZ H 1 7.211 0.000 . 1 . . . . A 145 PHE HZ . 34246 1 458 . 1 1 59 59 PHE C C 13 172.519 0.000 . 1 . . . . A 145 PHE C . 34246 1 459 . 1 1 59 59 PHE CA C 13 56.733 0.040 . 1 . . . . A 145 PHE CA . 34246 1 460 . 1 1 59 59 PHE CB C 13 43.021 0.043 . 1 . . . . A 145 PHE CB . 34246 1 461 . 1 1 59 59 PHE CD1 C 13 133.154 0.000 . 3 . . . . A 145 PHE CD1 . 34246 1 462 . 1 1 59 59 PHE CD2 C 13 133.154 0.000 . 3 . . . . A 145 PHE CD2 . 34246 1 463 . 1 1 59 59 PHE CE1 C 13 130.474 0.000 . 3 . . . . A 145 PHE CE1 . 34246 1 464 . 1 1 59 59 PHE CE2 C 13 130.474 0.000 . 3 . . . . A 145 PHE CE2 . 34246 1 465 . 1 1 59 59 PHE CZ C 13 129.583 0.000 . 1 . . . . A 145 PHE CZ . 34246 1 466 . 1 1 59 59 PHE N N 15 115.528 0.071 . 1 . . . . A 145 PHE N . 34246 1 467 . 1 1 60 60 THR H H 1 9.730 0.002 . 1 . . . . A 146 THR H . 34246 1 468 . 1 1 60 60 THR HA H 1 4.770 0.003 . 1 . . . . A 146 THR HA . 34246 1 469 . 1 1 60 60 THR HB H 1 4.012 0.003 . 1 . . . . A 146 THR HB . 34246 1 470 . 1 1 60 60 THR HG21 H 1 0.928 0.004 . 1 . . . . A 146 THR HG21 . 34246 1 471 . 1 1 60 60 THR HG22 H 1 0.928 0.004 . 1 . . . . A 146 THR HG22 . 34246 1 472 . 1 1 60 60 THR HG23 H 1 0.928 0.004 . 1 . . . . A 146 THR HG23 . 34246 1 473 . 1 1 60 60 THR C C 13 174.332 0.000 . 1 . . . . A 146 THR C . 34246 1 474 . 1 1 60 60 THR CA C 13 59.265 0.068 . 1 . . . . A 146 THR CA . 34246 1 475 . 1 1 60 60 THR CB C 13 71.908 0.095 . 1 . . . . A 146 THR CB . 34246 1 476 . 1 1 60 60 THR CG2 C 13 22.269 0.159 . 1 . . . . A 146 THR CG2 . 34246 1 477 . 1 1 60 60 THR N N 15 111.626 0.075 . 1 . . . . A 146 THR N . 34246 1 478 . 1 1 61 61 VAL H H 1 8.335 0.002 . 1 . . . . A 147 VAL H . 34246 1 479 . 1 1 61 61 VAL HA H 1 4.355 0.001 . 1 . . . . A 147 VAL HA . 34246 1 480 . 1 1 61 61 VAL HB H 1 1.757 0.004 . 1 . . . . A 147 VAL HB . 34246 1 481 . 1 1 61 61 VAL HG11 H 1 0.891 0.000 . 2 . . . . A 147 VAL HG11 . 34246 1 482 . 1 1 61 61 VAL HG12 H 1 0.891 0.000 . 2 . . . . A 147 VAL HG12 . 34246 1 483 . 1 1 61 61 VAL HG13 H 1 0.891 0.000 . 2 . . . . A 147 VAL HG13 . 34246 1 484 . 1 1 61 61 VAL HG21 H 1 0.872 0.002 . 2 . . . . A 147 VAL HG21 . 34246 1 485 . 1 1 61 61 VAL HG22 H 1 0.872 0.002 . 2 . . . . A 147 VAL HG22 . 34246 1 486 . 1 1 61 61 VAL HG23 H 1 0.872 0.002 . 2 . . . . A 147 VAL HG23 . 34246 1 487 . 1 1 61 61 VAL C C 13 176.223 0.000 . 1 . . . . A 147 VAL C . 34246 1 488 . 1 1 61 61 VAL CA C 13 62.524 0.066 . 1 . . . . A 147 VAL CA . 34246 1 489 . 1 1 61 61 VAL CB C 13 34.308 0.016 . 1 . . . . A 147 VAL CB . 34246 1 490 . 1 1 61 61 VAL CG1 C 13 23.076 0.022 . 2 . . . . A 147 VAL CG1 . 34246 1 491 . 1 1 61 61 VAL CG2 C 13 21.665 0.004 . 2 . . . . A 147 VAL CG2 . 34246 1 492 . 1 1 61 61 VAL N N 15 121.381 0.053 . 1 . . . . A 147 VAL N . 34246 1 493 . 1 1 64 64 ASN HA H 1 5.159 0.003 . 1 . . . . A 150 ASN HA . 34246 1 494 . 1 1 64 64 ASN HB2 H 1 3.041 0.003 . 1 . . . . A 150 ASN HB2 . 34246 1 495 . 1 1 64 64 ASN HB3 H 1 2.663 0.006 . 1 . . . . A 150 ASN HB3 . 34246 1 496 . 1 1 64 64 ASN C C 13 174.158 0.000 . 1 . . . . A 150 ASN C . 34246 1 497 . 1 1 64 64 ASN CA C 13 52.289 0.059 . 1 . . . . A 150 ASN CA . 34246 1 498 . 1 1 64 64 ASN CB C 13 40.366 0.029 . 1 . . . . A 150 ASN CB . 34246 1 499 . 1 1 65 65 SER H H 1 7.176 0.003 . 1 . . . . A 151 SER H . 34246 1 500 . 1 1 65 65 SER HA H 1 5.672 0.004 . 1 . . . . A 151 SER HA . 34246 1 501 . 1 1 65 65 SER HB2 H 1 3.736 0.007 . 1 . . . . A 151 SER HB2 . 34246 1 502 . 1 1 65 65 SER HB3 H 1 3.797 0.008 . 1 . . . . A 151 SER HB3 . 34246 1 503 . 1 1 65 65 SER C C 13 172.495 0.000 . 1 . . . . A 151 SER C . 34246 1 504 . 1 1 65 65 SER CA C 13 57.287 0.039 . 1 . . . . A 151 SER CA . 34246 1 505 . 1 1 65 65 SER CB C 13 67.244 0.070 . 1 . . . . A 151 SER CB . 34246 1 506 . 1 1 65 65 SER N N 15 110.737 0.059 . 1 . . . . A 151 SER N . 34246 1 507 . 1 1 66 66 ILE H H 1 9.030 0.002 . 1 . . . . A 152 ILE H . 34246 1 508 . 1 1 66 66 ILE HA H 1 4.841 0.001 . 1 . . . . A 152 ILE HA . 34246 1 509 . 1 1 66 66 ILE HB H 1 1.393 0.004 . 1 . . . . A 152 ILE HB . 34246 1 510 . 1 1 66 66 ILE HG12 H 1 1.064 0.007 . 1 . . . . A 152 ILE HG12 . 34246 1 511 . 1 1 66 66 ILE HG13 H 1 1.580 0.003 . 1 . . . . A 152 ILE HG13 . 34246 1 512 . 1 1 66 66 ILE HG21 H 1 0.754 0.003 . 1 . . . . A 152 ILE HG21 . 34246 1 513 . 1 1 66 66 ILE HG22 H 1 0.754 0.003 . 1 . . . . A 152 ILE HG22 . 34246 1 514 . 1 1 66 66 ILE HG23 H 1 0.754 0.003 . 1 . . . . A 152 ILE HG23 . 34246 1 515 . 1 1 66 66 ILE HD11 H 1 0.621 0.004 . 1 . . . . A 152 ILE HD11 . 34246 1 516 . 1 1 66 66 ILE HD12 H 1 0.621 0.004 . 1 . . . . A 152 ILE HD12 . 34246 1 517 . 1 1 66 66 ILE HD13 H 1 0.621 0.004 . 1 . . . . A 152 ILE HD13 . 34246 1 518 . 1 1 66 66 ILE C C 13 175.518 0.000 . 1 . . . . A 152 ILE C . 34246 1 519 . 1 1 66 66 ILE CA C 13 60.143 0.066 . 1 . . . . A 152 ILE CA . 34246 1 520 . 1 1 66 66 ILE CB C 13 45.183 0.032 . 1 . . . . A 152 ILE CB . 34246 1 521 . 1 1 66 66 ILE CG1 C 13 29.064 0.019 . 1 . . . . A 152 ILE CG1 . 34246 1 522 . 1 1 66 66 ILE CG2 C 13 17.499 0.032 . 1 . . . . A 152 ILE CG2 . 34246 1 523 . 1 1 66 66 ILE CD1 C 13 15.643 0.028 . 1 . . . . A 152 ILE CD1 . 34246 1 524 . 1 1 66 66 ILE N N 15 120.265 0.059 . 1 . . . . A 152 ILE N . 34246 1 525 . 1 1 67 67 GLU H H 1 8.529 0.002 . 1 . . . . A 153 GLU H . 34246 1 526 . 1 1 67 67 GLU HA H 1 5.264 0.002 . 1 . . . . A 153 GLU HA . 34246 1 527 . 1 1 67 67 GLU HB2 H 1 1.867 0.000 . 1 . . . . A 153 GLU HB2 . 34246 1 528 . 1 1 67 67 GLU HB3 H 1 1.613 0.004 . 1 . . . . A 153 GLU HB3 . 34246 1 529 . 1 1 67 67 GLU HG2 H 1 2.290 0.001 . 1 . . . . A 153 GLU HG2 . 34246 1 530 . 1 1 67 67 GLU HG3 H 1 2.037 0.011 . 1 . . . . A 153 GLU HG3 . 34246 1 531 . 1 1 67 67 GLU C C 13 174.811 0.000 . 1 . . . . A 153 GLU C . 34246 1 532 . 1 1 67 67 GLU CA C 13 54.582 0.074 . 1 . . . . A 153 GLU CA . 34246 1 533 . 1 1 67 67 GLU CB C 13 31.805 0.039 . 1 . . . . A 153 GLU CB . 34246 1 534 . 1 1 67 67 GLU CG C 13 36.814 0.020 . 1 . . . . A 153 GLU CG . 34246 1 535 . 1 1 67 67 GLU N N 15 126.997 0.054 . 1 . . . . A 153 GLU N . 34246 1 536 . 1 1 68 68 MET H H 1 9.147 0.002 . 1 . . . . A 154 MET H . 34246 1 537 . 1 1 68 68 MET HA H 1 5.573 0.002 . 1 . . . . A 154 MET HA . 34246 1 538 . 1 1 68 68 MET HB2 H 1 1.938 0.004 . 1 . . . . A 154 MET HB2 . 34246 1 539 . 1 1 68 68 MET HB3 H 1 1.600 0.006 . 1 . . . . A 154 MET HB3 . 34246 1 540 . 1 1 68 68 MET HG2 H 1 2.107 0.006 . 1 . . . . A 154 MET HG2 . 34246 1 541 . 1 1 68 68 MET HG3 H 1 2.188 0.003 . 1 . . . . A 154 MET HG3 . 34246 1 542 . 1 1 68 68 MET C C 13 174.341 0.000 . 1 . . . . A 154 MET C . 34246 1 543 . 1 1 68 68 MET CA C 13 55.341 0.125 . 1 . . . . A 154 MET CA . 34246 1 544 . 1 1 68 68 MET CB C 13 38.321 0.022 . 1 . . . . A 154 MET CB . 34246 1 545 . 1 1 68 68 MET CG C 13 30.367 0.030 . 1 . . . . A 154 MET CG . 34246 1 546 . 1 1 68 68 MET N N 15 117.753 0.062 . 1 . . . . A 154 MET N . 34246 1 547 . 1 1 69 69 ILE H H 1 8.045 0.003 . 1 . . . . A 155 ILE H . 34246 1 548 . 1 1 69 69 ILE HA H 1 4.834 0.003 . 1 . . . . A 155 ILE HA . 34246 1 549 . 1 1 69 69 ILE HB H 1 1.884 0.008 . 1 . . . . A 155 ILE HB . 34246 1 550 . 1 1 69 69 ILE HG12 H 1 1.921 0.000 . 1 . . . . A 155 ILE HG12 . 34246 1 551 . 1 1 69 69 ILE HG13 H 1 0.571 0.013 . 1 . . . . A 155 ILE HG13 . 34246 1 552 . 1 1 69 69 ILE HG21 H 1 0.565 0.000 . 1 . . . . A 155 ILE HG21 . 34246 1 553 . 1 1 69 69 ILE HG22 H 1 0.565 0.000 . 1 . . . . A 155 ILE HG22 . 34246 1 554 . 1 1 69 69 ILE HG23 H 1 0.565 0.000 . 1 . . . . A 155 ILE HG23 . 34246 1 555 . 1 1 69 69 ILE HD11 H 1 0.431 0.004 . 1 . . . . A 155 ILE HD11 . 34246 1 556 . 1 1 69 69 ILE HD12 H 1 0.431 0.004 . 1 . . . . A 155 ILE HD12 . 34246 1 557 . 1 1 69 69 ILE HD13 H 1 0.431 0.004 . 1 . . . . A 155 ILE HD13 . 34246 1 558 . 1 1 69 69 ILE C C 13 177.188 0.000 . 1 . . . . A 155 ILE C . 34246 1 559 . 1 1 69 69 ILE CA C 13 60.814 0.078 . 1 . . . . A 155 ILE CA . 34246 1 560 . 1 1 69 69 ILE CB C 13 37.876 0.100 . 1 . . . . A 155 ILE CB . 34246 1 561 . 1 1 69 69 ILE CG1 C 13 27.292 0.037 . 1 . . . . A 155 ILE CG1 . 34246 1 562 . 1 1 69 69 ILE CG2 C 13 18.381 0.012 . 1 . . . . A 155 ILE CG2 . 34246 1 563 . 1 1 69 69 ILE CD1 C 13 12.799 0.044 . 1 . . . . A 155 ILE CD1 . 34246 1 564 . 1 1 69 69 ILE N N 15 120.324 0.041 . 1 . . . . A 155 ILE N . 34246 1 565 . 1 1 70 70 ARG H H 1 9.234 0.004 . 1 . . . . A 156 ARG H . 34246 1 566 . 1 1 70 70 ARG HA H 1 4.480 0.002 . 1 . . . . A 156 ARG HA . 34246 1 567 . 1 1 70 70 ARG HB2 H 1 1.994 0.005 . 1 . . . . A 156 ARG HB2 . 34246 1 568 . 1 1 70 70 ARG HB3 H 1 1.447 0.000 . 1 . . . . A 156 ARG HB3 . 34246 1 569 . 1 1 70 70 ARG HG2 H 1 1.750 0.002 . 1 . . . . A 156 ARG HG2 . 34246 1 570 . 1 1 70 70 ARG HG3 H 1 1.924 0.000 . 1 . . . . A 156 ARG HG3 . 34246 1 571 . 1 1 70 70 ARG HD2 H 1 3.291 0.000 . 1 . . . . A 156 ARG HD2 . 34246 1 572 . 1 1 70 70 ARG HD3 H 1 2.620 0.003 . 1 . . . . A 156 ARG HD3 . 34246 1 573 . 1 1 70 70 ARG C C 13 176.489 0.000 . 1 . . . . A 156 ARG C . 34246 1 574 . 1 1 70 70 ARG CA C 13 57.043 0.064 . 1 . . . . A 156 ARG CA . 34246 1 575 . 1 1 70 70 ARG CB C 13 31.624 0.084 . 1 . . . . A 156 ARG CB . 34246 1 576 . 1 1 70 70 ARG CG C 13 26.395 0.023 . 1 . . . . A 156 ARG CG . 34246 1 577 . 1 1 70 70 ARG CD C 13 42.928 0.036 . 1 . . . . A 156 ARG CD . 34246 1 578 . 1 1 70 70 ARG N N 15 130.516 0.077 . 1 . . . . A 156 ARG N . 34246 1 579 . 1 1 71 71 ARG H H 1 8.201 0.006 . 1 . . . . A 157 ARG H . 34246 1 580 . 1 1 71 71 ARG HA H 1 4.361 0.000 . 1 . . . . A 157 ARG HA . 34246 1 581 . 1 1 71 71 ARG CA C 13 56.168 0.081 . 1 . . . . A 157 ARG CA . 34246 1 582 . 1 1 71 71 ARG CB C 13 30.627 0.000 . 1 . . . . A 157 ARG CB . 34246 1 583 . 1 1 71 71 ARG N N 15 124.474 0.077 . 1 . . . . A 157 ARG N . 34246 1 584 . 1 1 72 72 PRO HA H 1 4.092 0.003 . 1 . . . . A 158 PRO HA . 34246 1 585 . 1 1 72 72 PRO HB2 H 1 1.800 0.006 . 1 . . . . A 158 PRO HB2 . 34246 1 586 . 1 1 72 72 PRO HB3 H 1 2.106 0.004 . 1 . . . . A 158 PRO HB3 . 34246 1 587 . 1 1 72 72 PRO HG2 H 1 1.925 0.004 . 1 . . . . A 158 PRO HG2 . 34246 1 588 . 1 1 72 72 PRO HG3 H 1 1.925 0.004 . 1 . . . . A 158 PRO HG3 . 34246 1 589 . 1 1 72 72 PRO HD2 H 1 3.597 0.000 . 1 . . . . A 158 PRO HD2 . 34246 1 590 . 1 1 72 72 PRO HD3 H 1 3.429 0.000 . 1 . . . . A 158 PRO HD3 . 34246 1 591 . 1 1 72 72 PRO C C 13 176.717 0.000 . 1 . . . . A 158 PRO C . 34246 1 592 . 1 1 72 72 PRO CA C 13 62.752 0.048 . 1 . . . . A 158 PRO CA . 34246 1 593 . 1 1 72 72 PRO CB C 13 32.463 0.016 . 1 . . . . A 158 PRO CB . 34246 1 594 . 1 1 72 72 PRO CG C 13 27.461 0.046 . 1 . . . . A 158 PRO CG . 34246 1 595 . 1 1 72 72 PRO CD C 13 50.372 0.064 . 1 . . . . A 158 PRO CD . 34246 1 596 . 1 1 73 73 PHE H H 1 8.224 0.005 . 1 . . . . A 159 PHE H . 34246 1 597 . 1 1 73 73 PHE HA H 1 4.418 0.003 . 1 . . . . A 159 PHE HA . 34246 1 598 . 1 1 73 73 PHE HB2 H 1 2.637 0.005 . 1 . . . . A 159 PHE HB2 . 34246 1 599 . 1 1 73 73 PHE HB3 H 1 2.637 0.005 . 1 . . . . A 159 PHE HB3 . 34246 1 600 . 1 1 73 73 PHE HD1 H 1 6.740 0.000 . 3 . . . . A 159 PHE HD1 . 34246 1 601 . 1 1 73 73 PHE HD2 H 1 6.740 0.000 . 3 . . . . A 159 PHE HD2 . 34246 1 602 . 1 1 73 73 PHE HE1 H 1 6.884 0.000 . 3 . . . . A 159 PHE HE1 . 34246 1 603 . 1 1 73 73 PHE HE2 H 1 6.884 0.000 . 3 . . . . A 159 PHE HE2 . 34246 1 604 . 1 1 73 73 PHE HZ H 1 6.918 0.000 . 1 . . . . A 159 PHE HZ . 34246 1 605 . 1 1 73 73 PHE C C 13 175.083 0.000 . 1 . . . . A 159 PHE C . 34246 1 606 . 1 1 73 73 PHE CA C 13 56.609 0.039 . 1 . . . . A 159 PHE CA . 34246 1 607 . 1 1 73 73 PHE CB C 13 40.189 0.046 . 1 . . . . A 159 PHE CB . 34246 1 608 . 1 1 73 73 PHE CD1 C 13 131.933 0.000 . 3 . . . . A 159 PHE CD1 . 34246 1 609 . 1 1 73 73 PHE CD2 C 13 131.933 0.000 . 3 . . . . A 159 PHE CD2 . 34246 1 610 . 1 1 73 73 PHE CE1 C 13 130.746 0.000 . 3 . . . . A 159 PHE CE1 . 34246 1 611 . 1 1 73 73 PHE CE2 C 13 130.746 0.000 . 3 . . . . A 159 PHE CE2 . 34246 1 612 . 1 1 73 73 PHE CZ C 13 129.702 0.000 . 1 . . . . A 159 PHE CZ . 34246 1 613 . 1 1 73 73 PHE N N 15 119.637 0.056 . 1 . . . . A 159 PHE N . 34246 1 614 . 1 1 74 74 ASP H H 1 8.002 0.013 . 1 . . . . A 160 ASP H . 34246 1 615 . 1 1 74 74 ASP HA H 1 4.521 0.003 . 1 . . . . A 160 ASP HA . 34246 1 616 . 1 1 74 74 ASP HB2 H 1 2.192 0.006 . 1 . . . . A 160 ASP HB2 . 34246 1 617 . 1 1 74 74 ASP HB3 H 1 2.371 0.005 . 1 . . . . A 160 ASP HB3 . 34246 1 618 . 1 1 74 74 ASP CA C 13 54.037 0.075 . 1 . . . . A 160 ASP CA . 34246 1 619 . 1 1 74 74 ASP CB C 13 40.773 0.196 . 1 . . . . A 160 ASP CB . 34246 1 620 . 1 1 74 74 ASP N N 15 123.047 0.052 . 1 . . . . A 160 ASP N . 34246 1 621 . 1 1 75 75 PHE H H 1 7.958 0.002 . 1 . . . . A 161 PHE H . 34246 1 622 . 1 1 75 75 PHE HA H 1 4.767 0.003 . 1 . . . . A 161 PHE HA . 34246 1 623 . 1 1 75 75 PHE HB2 H 1 3.125 0.009 . 1 . . . . A 161 PHE HB2 . 34246 1 624 . 1 1 75 75 PHE HB3 H 1 2.888 0.002 . 1 . . . . A 161 PHE HB3 . 34246 1 625 . 1 1 75 75 PHE HD1 H 1 7.135 0.000 . 3 . . . . A 161 PHE HD1 . 34246 1 626 . 1 1 75 75 PHE HD2 H 1 7.135 0.000 . 3 . . . . A 161 PHE HD2 . 34246 1 627 . 1 1 75 75 PHE CA C 13 55.913 0.050 . 1 . . . . A 161 PHE CA . 34246 1 628 . 1 1 75 75 PHE CB C 13 39.052 0.042 . 1 . . . . A 161 PHE CB . 34246 1 629 . 1 1 75 75 PHE CD1 C 13 132.106 0.000 . 3 . . . . A 161 PHE CD1 . 34246 1 630 . 1 1 75 75 PHE CD2 C 13 132.106 0.000 . 3 . . . . A 161 PHE CD2 . 34246 1 631 . 1 1 75 75 PHE N N 15 122.818 0.051 . 1 . . . . A 161 PHE N . 34246 1 632 . 1 1 76 76 PRO HA H 1 4.096 0.004 . 1 . . . . A 162 PRO HA . 34246 1 633 . 1 1 76 76 PRO HB2 H 1 2.166 0.007 . 1 . . . . A 162 PRO HB2 . 34246 1 634 . 1 1 76 76 PRO HB3 H 1 1.729 0.008 . 1 . . . . A 162 PRO HB3 . 34246 1 635 . 1 1 76 76 PRO HG2 H 1 1.840 0.004 . 1 . . . . A 162 PRO HG2 . 34246 1 636 . 1 1 76 76 PRO HG3 H 1 1.934 0.004 . 1 . . . . A 162 PRO HG3 . 34246 1 637 . 1 1 76 76 PRO HD2 H 1 3.550 0.000 . 1 . . . . A 162 PRO HD2 . 34246 1 638 . 1 1 76 76 PRO HD3 H 1 3.726 0.000 . 1 . . . . A 162 PRO HD3 . 34246 1 639 . 1 1 76 76 PRO C C 13 177.559 0.000 . 1 . . . . A 162 PRO C . 34246 1 640 . 1 1 76 76 PRO CA C 13 65.378 0.077 . 1 . . . . A 162 PRO CA . 34246 1 641 . 1 1 76 76 PRO CB C 13 31.871 0.054 . 1 . . . . A 162 PRO CB . 34246 1 642 . 1 1 76 76 PRO CG C 13 27.842 0.064 . 1 . . . . A 162 PRO CG . 34246 1 643 . 1 1 76 76 PRO CD C 13 50.533 0.053 . 1 . . . . A 162 PRO CD . 34246 1 644 . 1 1 77 77 ASP H H 1 8.212 0.004 . 1 . . . . A 163 ASP H . 34246 1 645 . 1 1 77 77 ASP HA H 1 4.438 0.002 . 1 . . . . A 163 ASP HA . 34246 1 646 . 1 1 77 77 ASP HB2 H 1 2.569 0.005 . 1 . . . . A 163 ASP HB2 . 34246 1 647 . 1 1 77 77 ASP HB3 H 1 2.569 0.005 . 1 . . . . A 163 ASP HB3 . 34246 1 648 . 1 1 77 77 ASP C C 13 176.563 0.000 . 1 . . . . A 163 ASP C . 34246 1 649 . 1 1 77 77 ASP CA C 13 54.030 0.072 . 1 . . . . A 163 ASP CA . 34246 1 650 . 1 1 77 77 ASP CB C 13 41.154 0.059 . 1 . . . . A 163 ASP CB . 34246 1 651 . 1 1 77 77 ASP N N 15 114.143 0.061 . 1 . . . . A 163 ASP N . 34246 1 652 . 1 1 78 78 SER H H 1 7.428 0.002 . 1 . . . . A 164 SER H . 34246 1 653 . 1 1 78 78 SER HB2 H 1 3.627 0.000 . 1 . . . . A 164 SER HB2 . 34246 1 654 . 1 1 78 78 SER HB3 H 1 3.627 0.000 . 1 . . . . A 164 SER HB3 . 34246 1 655 . 1 1 78 78 SER C C 13 173.469 0.000 . 1 . . . . A 164 SER C . 34246 1 656 . 1 1 78 78 SER CA C 13 58.676 0.053 . 1 . . . . A 164 SER CA . 34246 1 657 . 1 1 78 78 SER CB C 13 64.370 0.013 . 1 . . . . A 164 SER CB . 34246 1 658 . 1 1 78 78 SER N N 15 114.703 0.061 . 1 . . . . A 164 SER N . 34246 1 659 . 1 1 79 79 LYS H H 1 8.358 0.003 . 1 . . . . A 165 LYS H . 34246 1 660 . 1 1 79 79 LYS HA H 1 4.493 0.003 . 1 . . . . A 165 LYS HA . 34246 1 661 . 1 1 79 79 LYS HB2 H 1 1.634 0.016 . 1 . . . . A 165 LYS HB2 . 34246 1 662 . 1 1 79 79 LYS HB3 H 1 1.665 0.016 . 1 . . . . A 165 LYS HB3 . 34246 1 663 . 1 1 79 79 LYS HG2 H 1 1.172 0.000 . 1 . . . . A 165 LYS HG2 . 34246 1 664 . 1 1 79 79 LYS HG3 H 1 1.172 0.000 . 1 . . . . A 165 LYS HG3 . 34246 1 665 . 1 1 79 79 LYS HD2 H 1 1.487 0.000 . 1 . . . . A 165 LYS HD2 . 34246 1 666 . 1 1 79 79 LYS HD3 H 1 1.487 0.000 . 1 . . . . A 165 LYS HD3 . 34246 1 667 . 1 1 79 79 LYS HE2 H 1 2.786 0.000 . 1 . . . . A 165 LYS HE2 . 34246 1 668 . 1 1 79 79 LYS HE3 H 1 2.786 0.000 . 1 . . . . A 165 LYS HE3 . 34246 1 669 . 1 1 79 79 LYS C C 13 176.701 0.000 . 1 . . . . A 165 LYS C . 34246 1 670 . 1 1 79 79 LYS CA C 13 55.976 0.016 . 1 . . . . A 165 LYS CA . 34246 1 671 . 1 1 79 79 LYS CB C 13 33.416 0.065 . 1 . . . . A 165 LYS CB . 34246 1 672 . 1 1 79 79 LYS CG C 13 24.809 0.000 . 1 . . . . A 165 LYS CG . 34246 1 673 . 1 1 79 79 LYS CD C 13 29.129 0.045 . 1 . . . . A 165 LYS CD . 34246 1 674 . 1 1 79 79 LYS CE C 13 42.271 0.019 . 1 . . . . A 165 LYS CE . 34246 1 675 . 1 1 79 79 LYS N N 15 125.373 0.052 . 1 . . . . A 165 LYS N . 34246 1 676 . 1 1 80 80 GLU H H 1 8.111 0.004 . 1 . . . . A 166 GLU H . 34246 1 677 . 1 1 80 80 GLU HA H 1 4.281 0.001 . 1 . . . . A 166 GLU HA . 34246 1 678 . 1 1 80 80 GLU HB2 H 1 1.772 0.007 . 1 . . . . A 166 GLU HB2 . 34246 1 679 . 1 1 80 80 GLU HB3 H 1 1.437 0.007 . 1 . . . . A 166 GLU HB3 . 34246 1 680 . 1 1 80 80 GLU HG2 H 1 2.060 0.008 . 1 . . . . A 166 GLU HG2 . 34246 1 681 . 1 1 80 80 GLU HG3 H 1 2.068 0.000 . 1 . . . . A 166 GLU HG3 . 34246 1 682 . 1 1 80 80 GLU C C 13 176.965 0.000 . 1 . . . . A 166 GLU C . 34246 1 683 . 1 1 80 80 GLU CA C 13 56.001 0.052 . 1 . . . . A 166 GLU CA . 34246 1 684 . 1 1 80 80 GLU CB C 13 32.591 0.074 . 1 . . . . A 166 GLU CB . 34246 1 685 . 1 1 80 80 GLU CG C 13 36.288 0.117 . 1 . . . . A 166 GLU CG . 34246 1 686 . 1 1 80 80 GLU N N 15 123.032 0.053 . 1 . . . . A 166 GLU N . 34246 1 687 . 1 1 81 81 GLY H H 1 8.239 0.005 . 1 . . . . A 167 GLY H . 34246 1 688 . 1 1 81 81 GLY HA2 H 1 3.560 0.006 . 1 . . . . A 167 GLY HA2 . 34246 1 689 . 1 1 81 81 GLY HA3 H 1 3.910 0.010 . 1 . . . . A 167 GLY HA3 . 34246 1 690 . 1 1 81 81 GLY C C 13 174.029 0.000 . 1 . . . . A 167 GLY C . 34246 1 691 . 1 1 81 81 GLY CA C 13 44.336 0.115 . 1 . . . . A 167 GLY CA . 34246 1 692 . 1 1 81 81 GLY N N 15 110.230 0.062 . 1 . . . . A 167 GLY N . 34246 1 693 . 1 1 82 82 GLN H H 1 8.287 0.003 . 1 . . . . A 168 GLN H . 34246 1 694 . 1 1 82 82 GLN HA H 1 4.397 0.001 . 1 . . . . A 168 GLN HA . 34246 1 695 . 1 1 82 82 GLN HB2 H 1 1.858 0.015 . 1 . . . . A 168 GLN HB2 . 34246 1 696 . 1 1 82 82 GLN HB3 H 1 1.826 0.017 . 1 . . . . A 168 GLN HB3 . 34246 1 697 . 1 1 82 82 GLN HG2 H 1 2.060 0.000 . 1 . . . . A 168 GLN HG2 . 34246 1 698 . 1 1 82 82 GLN HG3 H 1 2.114 0.000 . 1 . . . . A 168 GLN HG3 . 34246 1 699 . 1 1 82 82 GLN C C 13 176.166 0.000 . 1 . . . . A 168 GLN C . 34246 1 700 . 1 1 82 82 GLN CA C 13 55.959 0.032 . 1 . . . . A 168 GLN CA . 34246 1 701 . 1 1 82 82 GLN CB C 13 29.648 0.024 . 1 . . . . A 168 GLN CB . 34246 1 702 . 1 1 82 82 GLN CG C 13 33.421 0.014 . 1 . . . . A 168 GLN CG . 34246 1 703 . 1 1 82 82 GLN N N 15 119.605 0.058 . 1 . . . . A 168 GLN N . 34246 1 704 . 1 1 83 83 VAL H H 1 7.455 0.002 . 1 . . . . A 169 VAL H . 34246 1 705 . 1 1 83 83 VAL HA H 1 4.350 0.003 . 1 . . . . A 169 VAL HA . 34246 1 706 . 1 1 83 83 VAL HB H 1 1.869 0.001 . 1 . . . . A 169 VAL HB . 34246 1 707 . 1 1 83 83 VAL HG11 H 1 0.926 0.001 . 2 . . . . A 169 VAL HG11 . 34246 1 708 . 1 1 83 83 VAL HG12 H 1 0.926 0.001 . 2 . . . . A 169 VAL HG12 . 34246 1 709 . 1 1 83 83 VAL HG13 H 1 0.926 0.001 . 2 . . . . A 169 VAL HG13 . 34246 1 710 . 1 1 83 83 VAL HG21 H 1 0.926 0.001 . 2 . . . . A 169 VAL HG21 . 34246 1 711 . 1 1 83 83 VAL HG22 H 1 0.926 0.001 . 2 . . . . A 169 VAL HG22 . 34246 1 712 . 1 1 83 83 VAL HG23 H 1 0.926 0.001 . 2 . . . . A 169 VAL HG23 . 34246 1 713 . 1 1 83 83 VAL C C 13 173.923 0.000 . 1 . . . . A 169 VAL C . 34246 1 714 . 1 1 83 83 VAL CA C 13 61.242 0.077 . 1 . . . . A 169 VAL CA . 34246 1 715 . 1 1 83 83 VAL CB C 13 36.209 0.039 . 1 . . . . A 169 VAL CB . 34246 1 716 . 1 1 83 83 VAL CG1 C 13 21.424 0.000 . 2 . . . . A 169 VAL CG1 . 34246 1 717 . 1 1 83 83 VAL CG2 C 13 21.424 0.000 . 2 . . . . A 169 VAL CG2 . 34246 1 718 . 1 1 83 83 VAL N N 15 122.419 0.055 . 1 . . . . A 169 VAL N . 34246 1 719 . 1 1 84 84 ARG H H 1 9.128 0.002 . 1 . . . . A 170 ARG H . 34246 1 720 . 1 1 84 84 ARG HA H 1 5.146 0.004 . 1 . . . . A 170 ARG HA . 34246 1 721 . 1 1 84 84 ARG HB2 H 1 1.627 0.000 . 1 . . . . A 170 ARG HB2 . 34246 1 722 . 1 1 84 84 ARG HB3 H 1 1.723 0.003 . 1 . . . . A 170 ARG HB3 . 34246 1 723 . 1 1 84 84 ARG HG2 H 1 1.377 0.005 . 1 . . . . A 170 ARG HG2 . 34246 1 724 . 1 1 84 84 ARG HG3 H 1 1.523 0.004 . 1 . . . . A 170 ARG HG3 . 34246 1 725 . 1 1 84 84 ARG HD2 H 1 3.024 0.000 . 1 . . . . A 170 ARG HD2 . 34246 1 726 . 1 1 84 84 ARG HD3 H 1 2.966 0.000 . 1 . . . . A 170 ARG HD3 . 34246 1 727 . 1 1 84 84 ARG C C 13 174.713 0.000 . 1 . . . . A 170 ARG C . 34246 1 728 . 1 1 84 84 ARG CA C 13 55.010 0.058 . 1 . . . . A 170 ARG CA . 34246 1 729 . 1 1 84 84 ARG CB C 13 31.305 0.031 . 1 . . . . A 170 ARG CB . 34246 1 730 . 1 1 84 84 ARG CG C 13 28.272 0.017 . 1 . . . . A 170 ARG CG . 34246 1 731 . 1 1 84 84 ARG CD C 13 43.849 0.039 . 1 . . . . A 170 ARG CD . 34246 1 732 . 1 1 84 84 ARG N N 15 129.612 0.060 . 1 . . . . A 170 ARG N . 34246 1 733 . 1 1 85 85 ALA H H 1 8.929 0.003 . 1 . . . . A 171 ALA H . 34246 1 734 . 1 1 85 85 ALA HA H 1 5.457 0.003 . 1 . . . . A 171 ALA HA . 34246 1 735 . 1 1 85 85 ALA HB1 H 1 0.605 0.004 . 1 . . . . A 171 ALA HB1 . 34246 1 736 . 1 1 85 85 ALA HB2 H 1 0.605 0.004 . 1 . . . . A 171 ALA HB2 . 34246 1 737 . 1 1 85 85 ALA HB3 H 1 0.605 0.004 . 1 . . . . A 171 ALA HB3 . 34246 1 738 . 1 1 85 85 ALA C C 13 175.158 0.000 . 1 . . . . A 171 ALA C . 34246 1 739 . 1 1 85 85 ALA CA C 13 49.791 0.039 . 1 . . . . A 171 ALA CA . 34246 1 740 . 1 1 85 85 ALA CB C 13 23.503 0.022 . 1 . . . . A 171 ALA CB . 34246 1 741 . 1 1 85 85 ALA N N 15 128.480 0.059 . 1 . . . . A 171 ALA N . 34246 1 742 . 1 1 86 86 ARG H H 1 8.915 0.003 . 1 . . . . A 172 ARG H . 34246 1 743 . 1 1 86 86 ARG HA H 1 5.069 0.002 . 1 . . . . A 172 ARG HA . 34246 1 744 . 1 1 86 86 ARG HB2 H 1 1.369 0.001 . 1 . . . . A 172 ARG HB2 . 34246 1 745 . 1 1 86 86 ARG HB3 H 1 1.773 0.003 . 1 . . . . A 172 ARG HB3 . 34246 1 746 . 1 1 86 86 ARG HG2 H 1 1.025 0.004 . 1 . . . . A 172 ARG HG2 . 34246 1 747 . 1 1 86 86 ARG HG3 H 1 1.025 0.004 . 1 . . . . A 172 ARG HG3 . 34246 1 748 . 1 1 86 86 ARG HD2 H 1 3.021 0.000 . 1 . . . . A 172 ARG HD2 . 34246 1 749 . 1 1 86 86 ARG HD3 H 1 3.021 0.000 . 1 . . . . A 172 ARG HD3 . 34246 1 750 . 1 1 86 86 ARG C C 13 175.768 0.000 . 1 . . . . A 172 ARG C . 34246 1 751 . 1 1 86 86 ARG CA C 13 54.307 0.093 . 1 . . . . A 172 ARG CA . 34246 1 752 . 1 1 86 86 ARG CB C 13 32.417 0.026 . 1 . . . . A 172 ARG CB . 34246 1 753 . 1 1 86 86 ARG CG C 13 28.559 0.117 . 1 . . . . A 172 ARG CG . 34246 1 754 . 1 1 86 86 ARG CD C 13 43.060 0.051 . 1 . . . . A 172 ARG CD . 34246 1 755 . 1 1 86 86 ARG N N 15 120.573 0.054 . 1 . . . . A 172 ARG N . 34246 1 756 . 1 1 87 87 LEU H H 1 9.714 0.004 . 1 . . . . A 173 LEU H . 34246 1 757 . 1 1 87 87 LEU HA H 1 4.737 0.003 . 1 . . . . A 173 LEU HA . 34246 1 758 . 1 1 87 87 LEU HB2 H 1 0.984 0.005 . 1 . . . . A 173 LEU HB2 . 34246 1 759 . 1 1 87 87 LEU HB3 H 1 1.494 0.005 . 1 . . . . A 173 LEU HB3 . 34246 1 760 . 1 1 87 87 LEU HG H 1 1.183 0.000 . 1 . . . . A 173 LEU HG . 34246 1 761 . 1 1 87 87 LEU HD11 H 1 0.421 0.004 . 2 . . . . A 173 LEU HD11 . 34246 1 762 . 1 1 87 87 LEU HD12 H 1 0.421 0.004 . 2 . . . . A 173 LEU HD12 . 34246 1 763 . 1 1 87 87 LEU HD13 H 1 0.421 0.004 . 2 . . . . A 173 LEU HD13 . 34246 1 764 . 1 1 87 87 LEU HD21 H 1 0.421 0.004 . 2 . . . . A 173 LEU HD21 . 34246 1 765 . 1 1 87 87 LEU HD22 H 1 0.421 0.004 . 2 . . . . A 173 LEU HD22 . 34246 1 766 . 1 1 87 87 LEU HD23 H 1 0.421 0.004 . 2 . . . . A 173 LEU HD23 . 34246 1 767 . 1 1 87 87 LEU C C 13 175.390 0.000 . 1 . . . . A 173 LEU C . 34246 1 768 . 1 1 87 87 LEU CA C 13 54.296 0.106 . 1 . . . . A 173 LEU CA . 34246 1 769 . 1 1 87 87 LEU CB C 13 42.630 0.032 . 1 . . . . A 173 LEU CB . 34246 1 770 . 1 1 87 87 LEU CG C 13 28.999 0.048 . 1 . . . . A 173 LEU CG . 34246 1 771 . 1 1 87 87 LEU CD1 C 13 26.357 0.022 . 1 . . . . A 173 LEU CD1 . 34246 1 772 . 1 1 87 87 LEU CD2 C 13 24.969 0.039 . 1 . . . . A 173 LEU CD2 . 34246 1 773 . 1 1 87 87 LEU N N 15 133.895 0.042 . 1 . . . . A 173 LEU N . 34246 1 774 . 1 1 88 88 THR H H 1 8.255 0.005 . 1 . . . . A 174 THR H . 34246 1 775 . 1 1 88 88 THR HA H 1 4.527 0.004 . 1 . . . . A 174 THR HA . 34246 1 776 . 1 1 88 88 THR HB H 1 3.859 0.003 . 1 . . . . A 174 THR HB . 34246 1 777 . 1 1 88 88 THR HG21 H 1 1.013 0.003 . 1 . . . . A 174 THR HG21 . 34246 1 778 . 1 1 88 88 THR HG22 H 1 1.013 0.003 . 1 . . . . A 174 THR HG22 . 34246 1 779 . 1 1 88 88 THR HG23 H 1 1.013 0.003 . 1 . . . . A 174 THR HG23 . 34246 1 780 . 1 1 88 88 THR C C 13 173.454 0.000 . 1 . . . . A 174 THR C . 34246 1 781 . 1 1 88 88 THR CA C 13 62.230 0.043 . 1 . . . . A 174 THR CA . 34246 1 782 . 1 1 88 88 THR CB C 13 69.829 0.062 . 1 . . . . A 174 THR CB . 34246 1 783 . 1 1 88 88 THR CG2 C 13 21.390 0.068 . 1 . . . . A 174 THR CG2 . 34246 1 784 . 1 1 88 88 THR N N 15 118.120 0.045 . 1 . . . . A 174 THR N . 34246 1 785 . 1 1 89 89 PHE H H 1 8.352 0.004 . 1 . . . . A 175 PHE H . 34246 1 786 . 1 1 89 89 PHE HA H 1 4.648 0.006 . 1 . . . . A 175 PHE HA . 34246 1 787 . 1 1 89 89 PHE HB2 H 1 2.628 0.005 . 1 . . . . A 175 PHE HB2 . 34246 1 788 . 1 1 89 89 PHE HB3 H 1 3.016 0.008 . 1 . . . . A 175 PHE HB3 . 34246 1 789 . 1 1 89 89 PHE HD1 H 1 6.954 0.000 . 3 . . . . A 175 PHE HD1 . 34246 1 790 . 1 1 89 89 PHE HD2 H 1 6.954 0.000 . 3 . . . . A 175 PHE HD2 . 34246 1 791 . 1 1 89 89 PHE HE1 H 1 6.745 0.000 . 3 . . . . A 175 PHE HE1 . 34246 1 792 . 1 1 89 89 PHE HE2 H 1 6.745 0.000 . 3 . . . . A 175 PHE HE2 . 34246 1 793 . 1 1 89 89 PHE HZ H 1 6.591 0.000 . 1 . . . . A 175 PHE HZ . 34246 1 794 . 1 1 89 89 PHE C C 13 175.106 0.000 . 1 . . . . A 175 PHE C . 34246 1 795 . 1 1 89 89 PHE CA C 13 57.890 0.065 . 1 . . . . A 175 PHE CA . 34246 1 796 . 1 1 89 89 PHE CB C 13 41.821 0.034 . 1 . . . . A 175 PHE CB . 34246 1 797 . 1 1 89 89 PHE CD1 C 13 132.633 0.000 . 3 . . . . A 175 PHE CD1 . 34246 1 798 . 1 1 89 89 PHE CD2 C 13 132.633 0.000 . 3 . . . . A 175 PHE CD2 . 34246 1 799 . 1 1 89 89 PHE CE1 C 13 130.730 0.000 . 3 . . . . A 175 PHE CE1 . 34246 1 800 . 1 1 89 89 PHE CE2 C 13 130.730 0.000 . 3 . . . . A 175 PHE CE2 . 34246 1 801 . 1 1 89 89 PHE CZ C 13 127.805 0.000 . 1 . . . . A 175 PHE CZ . 34246 1 802 . 1 1 89 89 PHE N N 15 124.647 0.058 . 1 . . . . A 175 PHE N . 34246 1 803 . 1 1 90 90 ASP H H 1 8.604 0.014 . 1 . . . . A 176 ASP H . 34246 1 804 . 1 1 90 90 ASP HA H 1 4.650 0.001 . 1 . . . . A 176 ASP HA . 34246 1 805 . 1 1 90 90 ASP HB2 H 1 2.307 0.012 . 1 . . . . A 176 ASP HB2 . 34246 1 806 . 1 1 90 90 ASP HB3 H 1 2.236 0.008 . 1 . . . . A 176 ASP HB3 . 34246 1 807 . 1 1 90 90 ASP C C 13 176.526 0.000 . 1 . . . . A 176 ASP C . 34246 1 808 . 1 1 90 90 ASP CA C 13 53.004 0.064 . 1 . . . . A 176 ASP CA . 34246 1 809 . 1 1 90 90 ASP CB C 13 42.196 0.174 . 1 . . . . A 176 ASP CB . 34246 1 810 . 1 1 90 90 ASP N N 15 122.939 0.056 . 1 . . . . A 176 ASP N . 34246 1 811 . 1 1 91 91 GLY H H 1 8.724 0.004 . 1 . . . . A 177 GLY H . 34246 1 812 . 1 1 91 91 GLY HA2 H 1 3.830 0.002 . 1 . . . . A 177 GLY HA2 . 34246 1 813 . 1 1 91 91 GLY HA3 H 1 3.494 0.004 . 1 . . . . A 177 GLY HA3 . 34246 1 814 . 1 1 91 91 GLY C C 13 174.147 0.000 . 1 . . . . A 177 GLY C . 34246 1 815 . 1 1 91 91 GLY CA C 13 47.405 0.043 . 1 . . . . A 177 GLY CA . 34246 1 816 . 1 1 91 91 GLY N N 15 114.724 0.049 . 1 . . . . A 177 GLY N . 34246 1 817 . 1 1 92 92 ASP H H 1 8.601 0.008 . 1 . . . . A 178 ASP H . 34246 1 818 . 1 1 92 92 ASP HA H 1 4.288 0.002 . 1 . . . . A 178 ASP HA . 34246 1 819 . 1 1 92 92 ASP HB2 H 1 2.599 0.005 . 1 . . . . A 178 ASP HB2 . 34246 1 820 . 1 1 92 92 ASP HB3 H 1 2.514 0.007 . 1 . . . . A 178 ASP HB3 . 34246 1 821 . 1 1 92 92 ASP C C 13 174.874 0.000 . 1 . . . . A 178 ASP C . 34246 1 822 . 1 1 92 92 ASP CA C 13 54.011 0.167 . 1 . . . . A 178 ASP CA . 34246 1 823 . 1 1 92 92 ASP CB C 13 40.430 0.115 . 1 . . . . A 178 ASP CB . 34246 1 824 . 1 1 92 92 ASP N N 15 127.521 0.059 . 1 . . . . A 178 ASP N . 34246 1 825 . 1 1 93 93 HIS H H 1 7.551 0.002 . 1 . . . . A 179 HIS H . 34246 1 826 . 1 1 93 93 HIS HA H 1 5.274 0.008 . 1 . . . . A 179 HIS HA . 34246 1 827 . 1 1 93 93 HIS HB2 H 1 2.918 0.005 . 1 . . . . A 179 HIS HB2 . 34246 1 828 . 1 1 93 93 HIS HB3 H 1 2.768 0.005 . 1 . . . . A 179 HIS HB3 . 34246 1 829 . 1 1 93 93 HIS C C 13 173.811 0.000 . 1 . . . . A 179 HIS C . 34246 1 830 . 1 1 93 93 HIS CA C 13 54.758 0.110 . 1 . . . . A 179 HIS CA . 34246 1 831 . 1 1 93 93 HIS CB C 13 32.022 0.111 . 1 . . . . A 179 HIS CB . 34246 1 832 . 1 1 93 93 HIS N N 15 113.955 0.155 . 1 . . . . A 179 HIS N . 34246 1 833 . 1 1 94 94 LEU H H 1 8.253 0.004 . 1 . . . . A 180 LEU H . 34246 1 834 . 1 1 94 94 LEU HA H 1 3.691 0.005 . 1 . . . . A 180 LEU HA . 34246 1 835 . 1 1 94 94 LEU HB2 H 1 1.012 0.004 . 1 . . . . A 180 LEU HB2 . 34246 1 836 . 1 1 94 94 LEU HB3 H 1 1.672 0.008 . 1 . . . . A 180 LEU HB3 . 34246 1 837 . 1 1 94 94 LEU HG H 1 0.817 0.000 . 1 . . . . A 180 LEU HG . 34246 1 838 . 1 1 94 94 LEU HD11 H 1 0.014 0.006 . 2 . . . . A 180 LEU HD11 . 34246 1 839 . 1 1 94 94 LEU HD12 H 1 0.014 0.006 . 2 . . . . A 180 LEU HD12 . 34246 1 840 . 1 1 94 94 LEU HD13 H 1 0.014 0.006 . 2 . . . . A 180 LEU HD13 . 34246 1 841 . 1 1 94 94 LEU HD21 H 1 0.402 0.000 . 2 . . . . A 180 LEU HD21 . 34246 1 842 . 1 1 94 94 LEU HD22 H 1 0.402 0.000 . 2 . . . . A 180 LEU HD22 . 34246 1 843 . 1 1 94 94 LEU HD23 H 1 0.402 0.000 . 2 . . . . A 180 LEU HD23 . 34246 1 844 . 1 1 94 94 LEU C C 13 175.241 0.000 . 1 . . . . A 180 LEU C . 34246 1 845 . 1 1 94 94 LEU CA C 13 54.791 0.111 . 1 . . . . A 180 LEU CA . 34246 1 846 . 1 1 94 94 LEU CB C 13 42.948 0.074 . 1 . . . . A 180 LEU CB . 34246 1 847 . 1 1 94 94 LEU CG C 13 26.887 0.064 . 1 . . . . A 180 LEU CG . 34246 1 848 . 1 1 94 94 LEU CD1 C 13 23.656 0.007 . 2 . . . . A 180 LEU CD1 . 34246 1 849 . 1 1 94 94 LEU CD2 C 13 23.663 0.000 . 2 . . . . A 180 LEU CD2 . 34246 1 850 . 1 1 94 94 LEU N N 15 124.629 0.074 . 1 . . . . A 180 LEU N . 34246 1 851 . 1 1 95 95 ALA H H 1 9.076 0.013 . 1 . . . . A 181 ALA H . 34246 1 852 . 1 1 95 95 ALA HA H 1 4.482 0.005 . 1 . . . . A 181 ALA HA . 34246 1 853 . 1 1 95 95 ALA HB1 H 1 1.127 0.005 . 1 . . . . A 181 ALA HB1 . 34246 1 854 . 1 1 95 95 ALA HB2 H 1 1.127 0.005 . 1 . . . . A 181 ALA HB2 . 34246 1 855 . 1 1 95 95 ALA HB3 H 1 1.127 0.005 . 1 . . . . A 181 ALA HB3 . 34246 1 856 . 1 1 95 95 ALA C C 13 177.886 0.000 . 1 . . . . A 181 ALA C . 34246 1 857 . 1 1 95 95 ALA CA C 13 54.118 0.131 . 1 . . . . A 181 ALA CA . 34246 1 858 . 1 1 95 95 ALA CB C 13 20.323 0.023 . 1 . . . . A 181 ALA CB . 34246 1 859 . 1 1 95 95 ALA N N 15 132.649 0.054 . 1 . . . . A 181 ALA N . 34246 1 860 . 1 1 96 96 THR H H 1 7.013 0.002 . 1 . . . . A 182 THR H . 34246 1 861 . 1 1 96 96 THR HA H 1 4.444 0.001 . 1 . . . . A 182 THR HA . 34246 1 862 . 1 1 96 96 THR HB H 1 3.791 0.003 . 1 . . . . A 182 THR HB . 34246 1 863 . 1 1 96 96 THR HG21 H 1 0.847 0.000 . 1 . . . . A 182 THR HG21 . 34246 1 864 . 1 1 96 96 THR HG22 H 1 0.847 0.000 . 1 . . . . A 182 THR HG22 . 34246 1 865 . 1 1 96 96 THR HG23 H 1 0.847 0.000 . 1 . . . . A 182 THR HG23 . 34246 1 866 . 1 1 96 96 THR C C 13 172.725 0.000 . 1 . . . . A 182 THR C . 34246 1 867 . 1 1 96 96 THR CA C 13 59.142 0.052 . 1 . . . . A 182 THR CA . 34246 1 868 . 1 1 96 96 THR CB C 13 73.926 0.050 . 1 . . . . A 182 THR CB . 34246 1 869 . 1 1 96 96 THR CG2 C 13 21.989 0.036 . 1 . . . . A 182 THR CG2 . 34246 1 870 . 1 1 96 96 THR N N 15 103.736 0.089 . 1 . . . . A 182 THR N . 34246 1 871 . 1 1 97 97 ILE H H 1 9.025 0.005 . 1 . . . . A 183 ILE H . 34246 1 872 . 1 1 97 97 ILE HA H 1 4.349 0.002 . 1 . . . . A 183 ILE HA . 34246 1 873 . 1 1 97 97 ILE HB H 1 1.565 0.004 . 1 . . . . A 183 ILE HB . 34246 1 874 . 1 1 97 97 ILE HG12 H 1 0.382 0.002 . 1 . . . . A 183 ILE HG12 . 34246 1 875 . 1 1 97 97 ILE HG13 H 1 1.003 0.000 . 1 . . . . A 183 ILE HG13 . 34246 1 876 . 1 1 97 97 ILE HG21 H 1 -0.127 0.006 . 1 . . . . A 183 ILE HG21 . 34246 1 877 . 1 1 97 97 ILE HG22 H 1 -0.127 0.006 . 1 . . . . A 183 ILE HG22 . 34246 1 878 . 1 1 97 97 ILE HG23 H 1 -0.127 0.006 . 1 . . . . A 183 ILE HG23 . 34246 1 879 . 1 1 97 97 ILE HD11 H 1 0.263 0.004 . 1 . . . . A 183 ILE HD11 . 34246 1 880 . 1 1 97 97 ILE HD12 H 1 0.263 0.004 . 1 . . . . A 183 ILE HD12 . 34246 1 881 . 1 1 97 97 ILE HD13 H 1 0.263 0.004 . 1 . . . . A 183 ILE HD13 . 34246 1 882 . 1 1 97 97 ILE C C 13 175.171 0.000 . 1 . . . . A 183 ILE C . 34246 1 883 . 1 1 97 97 ILE CA C 13 61.106 0.075 . 1 . . . . A 183 ILE CA . 34246 1 884 . 1 1 97 97 ILE CB C 13 39.814 0.047 . 1 . . . . A 183 ILE CB . 34246 1 885 . 1 1 97 97 ILE CG1 C 13 27.778 0.019 . 1 . . . . A 183 ILE CG1 . 34246 1 886 . 1 1 97 97 ILE CG2 C 13 18.350 0.017 . 1 . . . . A 183 ILE CG2 . 34246 1 887 . 1 1 97 97 ILE CD1 C 13 15.089 0.030 . 1 . . . . A 183 ILE CD1 . 34246 1 888 . 1 1 97 97 ILE N N 15 122.239 0.057 . 1 . . . . A 183 ILE N . 34246 1 889 . 1 1 98 98 VAL H H 1 8.798 0.006 . 1 . . . . A 184 VAL H . 34246 1 890 . 1 1 98 98 VAL HA H 1 4.477 0.003 . 1 . . . . A 184 VAL HA . 34246 1 891 . 1 1 98 98 VAL HB H 1 1.576 0.005 . 1 . . . . A 184 VAL HB . 34246 1 892 . 1 1 98 98 VAL HG11 H 1 0.475 0.005 . 2 . . . . A 184 VAL HG11 . 34246 1 893 . 1 1 98 98 VAL HG12 H 1 0.475 0.005 . 2 . . . . A 184 VAL HG12 . 34246 1 894 . 1 1 98 98 VAL HG13 H 1 0.475 0.005 . 2 . . . . A 184 VAL HG13 . 34246 1 895 . 1 1 98 98 VAL HG21 H 1 0.621 0.007 . 2 . . . . A 184 VAL HG21 . 34246 1 896 . 1 1 98 98 VAL HG22 H 1 0.621 0.007 . 2 . . . . A 184 VAL HG22 . 34246 1 897 . 1 1 98 98 VAL HG23 H 1 0.621 0.007 . 2 . . . . A 184 VAL HG23 . 34246 1 898 . 1 1 98 98 VAL C C 13 175.800 0.000 . 1 . . . . A 184 VAL C . 34246 1 899 . 1 1 98 98 VAL CA C 13 60.436 0.068 . 1 . . . . A 184 VAL CA . 34246 1 900 . 1 1 98 98 VAL CB C 13 36.685 0.009 . 1 . . . . A 184 VAL CB . 34246 1 901 . 1 1 98 98 VAL CG1 C 13 20.841 0.024 . 2 . . . . A 184 VAL CG1 . 34246 1 902 . 1 1 98 98 VAL CG2 C 13 22.364 0.043 . 2 . . . . A 184 VAL CG2 . 34246 1 903 . 1 1 98 98 VAL N N 15 125.694 0.061 . 1 . . . . A 184 VAL N . 34246 1 904 . 1 1 99 99 ASN H H 1 8.435 0.003 . 1 . . . . A 185 ASN H . 34246 1 905 . 1 1 99 99 ASN HA H 1 4.553 0.001 . 1 . . . . A 185 ASN HA . 34246 1 906 . 1 1 99 99 ASN HB2 H 1 2.104 0.007 . 1 . . . . A 185 ASN HB2 . 34246 1 907 . 1 1 99 99 ASN HB3 H 1 3.565 0.004 . 1 . . . . A 185 ASN HB3 . 34246 1 908 . 1 1 99 99 ASN C C 13 176.936 0.000 . 1 . . . . A 185 ASN C . 34246 1 909 . 1 1 99 99 ASN CA C 13 52.634 0.048 . 1 . . . . A 185 ASN CA . 34246 1 910 . 1 1 99 99 ASN CB C 13 37.852 0.088 . 1 . . . . A 185 ASN CB . 34246 1 911 . 1 1 99 99 ASN N N 15 124.620 0.059 . 1 . . . . A 185 ASN N . 34246 1 912 . 1 1 100 100 MET H H 1 9.048 0.003 . 1 . . . . A 186 MET H . 34246 1 913 . 1 1 100 100 MET HA H 1 3.819 0.001 . 1 . . . . A 186 MET HA . 34246 1 914 . 1 1 100 100 MET HB2 H 1 1.416 0.004 . 1 . . . . A 186 MET HB2 . 34246 1 915 . 1 1 100 100 MET HB3 H 1 1.416 0.004 . 1 . . . . A 186 MET HB3 . 34246 1 916 . 1 1 100 100 MET HG2 H 1 2.136 0.000 . 1 . . . . A 186 MET HG2 . 34246 1 917 . 1 1 100 100 MET HG3 H 1 2.136 0.000 . 1 . . . . A 186 MET HG3 . 34246 1 918 . 1 1 100 100 MET HE1 H 1 1.764 0.000 . 1 . . . . A 186 MET HE1 . 34246 1 919 . 1 1 100 100 MET HE2 H 1 1.764 0.000 . 1 . . . . A 186 MET HE2 . 34246 1 920 . 1 1 100 100 MET HE3 H 1 1.764 0.000 . 1 . . . . A 186 MET HE3 . 34246 1 921 . 1 1 100 100 MET C C 13 177.844 0.000 . 1 . . . . A 186 MET C . 34246 1 922 . 1 1 100 100 MET CA C 13 58.240 0.053 . 1 . . . . A 186 MET CA . 34246 1 923 . 1 1 100 100 MET CB C 13 33.553 0.023 . 1 . . . . A 186 MET CB . 34246 1 924 . 1 1 100 100 MET CG C 13 33.162 0.000 . 1 . . . . A 186 MET CG . 34246 1 925 . 1 1 100 100 MET CE C 13 15.921 0.000 . 1 . . . . A 186 MET CE . 34246 1 926 . 1 1 100 100 MET N N 15 126.543 0.055 . 1 . . . . A 186 MET N . 34246 1 927 . 1 1 101 101 GLU H H 1 8.560 0.002 . 1 . . . . A 187 GLU H . 34246 1 928 . 1 1 101 101 GLU HA H 1 4.022 0.001 . 1 . . . . A 187 GLU HA . 34246 1 929 . 1 1 101 101 GLU HB2 H 1 1.925 0.013 . 1 . . . . A 187 GLU HB2 . 34246 1 930 . 1 1 101 101 GLU HB3 H 1 1.838 0.009 . 1 . . . . A 187 GLU HB3 . 34246 1 931 . 1 1 101 101 GLU HG2 H 1 2.120 0.012 . 1 . . . . A 187 GLU HG2 . 34246 1 932 . 1 1 101 101 GLU HG3 H 1 2.214 0.007 . 1 . . . . A 187 GLU HG3 . 34246 1 933 . 1 1 101 101 GLU C C 13 177.726 0.000 . 1 . . . . A 187 GLU C . 34246 1 934 . 1 1 101 101 GLU CA C 13 58.167 0.060 . 1 . . . . A 187 GLU CA . 34246 1 935 . 1 1 101 101 GLU CB C 13 29.909 0.034 . 1 . . . . A 187 GLU CB . 34246 1 936 . 1 1 101 101 GLU CG C 13 36.852 0.099 . 1 . . . . A 187 GLU CG . 34246 1 937 . 1 1 101 101 GLU N N 15 117.600 0.049 . 1 . . . . A 187 GLU N . 34246 1 938 . 1 1 102 102 ASN H H 1 6.557 0.003 . 1 . . . . A 188 ASN H . 34246 1 939 . 1 1 102 102 ASN HA H 1 4.574 0.001 . 1 . . . . A 188 ASN HA . 34246 1 940 . 1 1 102 102 ASN HB2 H 1 2.466 0.003 . 1 . . . . A 188 ASN HB2 . 34246 1 941 . 1 1 102 102 ASN HB3 H 1 2.931 0.003 . 1 . . . . A 188 ASN HB3 . 34246 1 942 . 1 1 102 102 ASN C C 13 175.994 0.000 . 1 . . . . A 188 ASN C . 34246 1 943 . 1 1 102 102 ASN CA C 13 51.981 0.074 . 1 . . . . A 188 ASN CA . 34246 1 944 . 1 1 102 102 ASN CB C 13 39.042 0.050 . 1 . . . . A 188 ASN CB . 34246 1 945 . 1 1 102 102 ASN N N 15 112.226 0.059 . 1 . . . . A 188 ASN N . 34246 1 946 . 1 1 103 103 ASN H H 1 8.348 0.003 . 1 . . . . A 189 ASN H . 34246 1 947 . 1 1 103 103 ASN HA H 1 4.027 0.000 . 1 . . . . A 189 ASN HA . 34246 1 948 . 1 1 103 103 ASN HB2 H 1 2.850 0.004 . 1 . . . . A 189 ASN HB2 . 34246 1 949 . 1 1 103 103 ASN HB3 H 1 2.586 0.003 . 1 . . . . A 189 ASN HB3 . 34246 1 950 . 1 1 103 103 ASN C C 13 174.776 0.000 . 1 . . . . A 189 ASN C . 34246 1 951 . 1 1 103 103 ASN CA C 13 55.054 0.067 . 1 . . . . A 189 ASN CA . 34246 1 952 . 1 1 103 103 ASN CB C 13 38.053 0.074 . 1 . . . . A 189 ASN CB . 34246 1 953 . 1 1 103 103 ASN N N 15 115.934 0.055 . 1 . . . . A 189 ASN N . 34246 1 954 . 1 1 104 104 ARG H H 1 7.842 0.004 . 1 . . . . A 190 ARG H . 34246 1 955 . 1 1 104 104 ARG HA H 1 4.125 0.000 . 1 . . . . A 190 ARG HA . 34246 1 956 . 1 1 104 104 ARG HB2 H 1 1.407 0.000 . 1 . . . . A 190 ARG HB2 . 34246 1 957 . 1 1 104 104 ARG HB3 H 1 1.407 0.000 . 1 . . . . A 190 ARG HB3 . 34246 1 958 . 1 1 104 104 ARG HG2 H 1 1.253 0.000 . 1 . . . . A 190 ARG HG2 . 34246 1 959 . 1 1 104 104 ARG HG3 H 1 1.272 0.007 . 1 . . . . A 190 ARG HG3 . 34246 1 960 . 1 1 104 104 ARG HD2 H 1 2.867 0.002 . 1 . . . . A 190 ARG HD2 . 34246 1 961 . 1 1 104 104 ARG HD3 H 1 2.867 0.002 . 1 . . . . A 190 ARG HD3 . 34246 1 962 . 1 1 104 104 ARG C C 13 176.950 0.000 . 1 . . . . A 190 ARG C . 34246 1 963 . 1 1 104 104 ARG CA C 13 56.102 0.065 . 1 . . . . A 190 ARG CA . 34246 1 964 . 1 1 104 104 ARG CB C 13 31.052 0.087 . 1 . . . . A 190 ARG CB . 34246 1 965 . 1 1 104 104 ARG CG C 13 27.640 0.181 . 1 . . . . A 190 ARG CG . 34246 1 966 . 1 1 104 104 ARG CD C 13 43.445 0.048 . 1 . . . . A 190 ARG CD . 34246 1 967 . 1 1 104 104 ARG N N 15 119.572 0.058 . 1 . . . . A 190 ARG N . 34246 1 968 . 1 1 105 105 GLN H H 1 8.569 0.004 . 1 . . . . A 191 GLN H . 34246 1 969 . 1 1 105 105 GLN HA H 1 4.478 0.001 . 1 . . . . A 191 GLN HA . 34246 1 970 . 1 1 105 105 GLN HB2 H 1 1.915 0.000 . 1 . . . . A 191 GLN HB2 . 34246 1 971 . 1 1 105 105 GLN HB3 H 1 1.693 0.003 . 1 . . . . A 191 GLN HB3 . 34246 1 972 . 1 1 105 105 GLN HG2 H 1 2.313 0.003 . 1 . . . . A 191 GLN HG2 . 34246 1 973 . 1 1 105 105 GLN HG3 H 1 2.025 0.003 . 1 . . . . A 191 GLN HG3 . 34246 1 974 . 1 1 105 105 GLN C C 13 177.668 0.000 . 1 . . . . A 191 GLN C . 34246 1 975 . 1 1 105 105 GLN CA C 13 55.931 0.068 . 1 . . . . A 191 GLN CA . 34246 1 976 . 1 1 105 105 GLN CB C 13 29.312 0.052 . 1 . . . . A 191 GLN CB . 34246 1 977 . 1 1 105 105 GLN CG C 13 34.454 0.025 . 1 . . . . A 191 GLN CG . 34246 1 978 . 1 1 105 105 GLN N N 15 122.883 0.086 . 1 . . . . A 191 GLN N . 34246 1 979 . 1 1 106 106 PHE H H 1 8.867 0.004 . 1 . . . . A 192 PHE H . 34246 1 980 . 1 1 106 106 PHE HA H 1 4.530 0.003 . 1 . . . . A 192 PHE HA . 34246 1 981 . 1 1 106 106 PHE HB2 H 1 3.022 0.005 . 1 . . . . A 192 PHE HB2 . 34246 1 982 . 1 1 106 106 PHE HB3 H 1 2.377 0.005 . 1 . . . . A 192 PHE HB3 . 34246 1 983 . 1 1 106 106 PHE HD1 H 1 7.030 0.000 . 3 . . . . A 192 PHE HD1 . 34246 1 984 . 1 1 106 106 PHE HD2 H 1 7.030 0.000 . 3 . . . . A 192 PHE HD2 . 34246 1 985 . 1 1 106 106 PHE HE1 H 1 7.069 0.000 . 3 . . . . A 192 PHE HE1 . 34246 1 986 . 1 1 106 106 PHE HE2 H 1 7.069 0.000 . 3 . . . . A 192 PHE HE2 . 34246 1 987 . 1 1 106 106 PHE HZ H 1 6.790 0.000 . 1 . . . . A 192 PHE HZ . 34246 1 988 . 1 1 106 106 PHE C C 13 176.962 0.000 . 1 . . . . A 192 PHE C . 34246 1 989 . 1 1 106 106 PHE CA C 13 57.725 0.045 . 1 . . . . A 192 PHE CA . 34246 1 990 . 1 1 106 106 PHE CB C 13 40.563 0.039 . 1 . . . . A 192 PHE CB . 34246 1 991 . 1 1 106 106 PHE CD1 C 13 132.445 0.000 . 3 . . . . A 192 PHE CD1 . 34246 1 992 . 1 1 106 106 PHE CD2 C 13 132.445 0.000 . 3 . . . . A 192 PHE CD2 . 34246 1 993 . 1 1 106 106 PHE CE1 C 13 131.175 0.000 . 3 . . . . A 192 PHE CE1 . 34246 1 994 . 1 1 106 106 PHE CE2 C 13 131.175 0.000 . 3 . . . . A 192 PHE CE2 . 34246 1 995 . 1 1 106 106 PHE CZ C 13 129.181 0.000 . 1 . . . . A 192 PHE CZ . 34246 1 996 . 1 1 106 106 PHE N N 15 122.083 0.065 . 1 . . . . A 192 PHE N . 34246 1 997 . 1 1 107 107 GLY HA2 H 1 3.962 0.000 . 1 . . . . A 193 GLY HA2 . 34246 1 998 . 1 1 107 107 GLY HA3 H 1 3.624 0.003 . 1 . . . . A 193 GLY HA3 . 34246 1 999 . 1 1 107 107 GLY C C 13 173.688 0.000 . 1 . . . . A 193 GLY C . 34246 1 1000 . 1 1 107 107 GLY CA C 13 45.536 0.040 . 1 . . . . A 193 GLY CA . 34246 1 1001 . 1 1 108 108 PHE H H 1 7.350 0.002 . 1 . . . . A 194 PHE H . 34246 1 1002 . 1 1 108 108 PHE HA H 1 4.865 0.005 . 1 . . . . A 194 PHE HA . 34246 1 1003 . 1 1 108 108 PHE HB2 H 1 2.948 0.009 . 1 . . . . A 194 PHE HB2 . 34246 1 1004 . 1 1 108 108 PHE HB3 H 1 2.948 0.009 . 1 . . . . A 194 PHE HB3 . 34246 1 1005 . 1 1 108 108 PHE HD1 H 1 6.972 0.000 . 3 . . . . A 194 PHE HD1 . 34246 1 1006 . 1 1 108 108 PHE HD2 H 1 6.972 0.000 . 3 . . . . A 194 PHE HD2 . 34246 1 1007 . 1 1 108 108 PHE HE1 H 1 6.954 0.000 . 3 . . . . A 194 PHE HE1 . 34246 1 1008 . 1 1 108 108 PHE HE2 H 1 6.954 0.000 . 3 . . . . A 194 PHE HE2 . 34246 1 1009 . 1 1 108 108 PHE C C 13 174.469 0.000 . 1 . . . . A 194 PHE C . 34246 1 1010 . 1 1 108 108 PHE CA C 13 57.084 0.034 . 1 . . . . A 194 PHE CA . 34246 1 1011 . 1 1 108 108 PHE CB C 13 41.383 0.066 . 1 . . . . A 194 PHE CB . 34246 1 1012 . 1 1 108 108 PHE CD1 C 13 132.175 0.000 . 3 . . . . A 194 PHE CD1 . 34246 1 1013 . 1 1 108 108 PHE CD2 C 13 132.175 0.000 . 3 . . . . A 194 PHE CD2 . 34246 1 1014 . 1 1 108 108 PHE CE1 C 13 130.870 0.000 . 3 . . . . A 194 PHE CE1 . 34246 1 1015 . 1 1 108 108 PHE CE2 C 13 130.870 0.000 . 3 . . . . A 194 PHE CE2 . 34246 1 1016 . 1 1 108 108 PHE N N 15 116.333 0.066 . 1 . . . . A 194 PHE N . 34246 1 1017 . 1 1 109 109 PHE H H 1 8.728 0.007 . 1 . . . . A 195 PHE H . 34246 1 1018 . 1 1 109 109 PHE HA H 1 4.267 0.004 . 1 . . . . A 195 PHE HA . 34246 1 1019 . 1 1 109 109 PHE HB2 H 1 2.112 0.006 . 1 . . . . A 195 PHE HB2 . 34246 1 1020 . 1 1 109 109 PHE HB3 H 1 2.401 0.001 . 1 . . . . A 195 PHE HB3 . 34246 1 1021 . 1 1 109 109 PHE HD1 H 1 6.085 0.000 . 3 . . . . A 195 PHE HD1 . 34246 1 1022 . 1 1 109 109 PHE HD2 H 1 6.085 0.000 . 3 . . . . A 195 PHE HD2 . 34246 1 1023 . 1 1 109 109 PHE HE1 H 1 6.561 0.000 . 3 . . . . A 195 PHE HE1 . 34246 1 1024 . 1 1 109 109 PHE HE2 H 1 6.561 0.000 . 3 . . . . A 195 PHE HE2 . 34246 1 1025 . 1 1 109 109 PHE HZ H 1 6.500 0.000 . 1 . . . . A 195 PHE HZ . 34246 1 1026 . 1 1 109 109 PHE C C 13 173.003 0.000 . 1 . . . . A 195 PHE C . 34246 1 1027 . 1 1 109 109 PHE CA C 13 57.397 0.046 . 1 . . . . A 195 PHE CA . 34246 1 1028 . 1 1 109 109 PHE CB C 13 43.657 0.031 . 1 . . . . A 195 PHE CB . 34246 1 1029 . 1 1 109 109 PHE CD1 C 13 131.172 0.000 . 3 . . . . A 195 PHE CD1 . 34246 1 1030 . 1 1 109 109 PHE CD2 C 13 131.172 0.000 . 3 . . . . A 195 PHE CD2 . 34246 1 1031 . 1 1 109 109 PHE CE1 C 13 130.510 0.000 . 3 . . . . A 195 PHE CE1 . 34246 1 1032 . 1 1 109 109 PHE CE2 C 13 130.510 0.000 . 3 . . . . A 195 PHE CE2 . 34246 1 1033 . 1 1 109 109 PHE CZ C 13 128.515 0.000 . 1 . . . . A 195 PHE CZ . 34246 1 1034 . 1 1 109 109 PHE N N 15 126.999 0.066 . 1 . . . . A 195 PHE N . 34246 1 1035 . 1 1 110 110 ARG H H 1 7.783 0.006 . 1 . . . . A 196 ARG H . 34246 1 1036 . 1 1 110 110 ARG HA H 1 4.564 0.000 . 1 . . . . A 196 ARG HA . 34246 1 1037 . 1 1 110 110 ARG HB2 H 1 1.330 0.004 . 1 . . . . A 196 ARG HB2 . 34246 1 1038 . 1 1 110 110 ARG HB3 H 1 1.328 0.005 . 1 . . . . A 196 ARG HB3 . 34246 1 1039 . 1 1 110 110 ARG HG2 H 1 1.309 0.000 . 1 . . . . A 196 ARG HG2 . 34246 1 1040 . 1 1 110 110 ARG HG3 H 1 1.309 0.000 . 1 . . . . A 196 ARG HG3 . 34246 1 1041 . 1 1 110 110 ARG HD2 H 1 2.842 0.004 . 1 . . . . A 196 ARG HD2 . 34246 1 1042 . 1 1 110 110 ARG HD3 H 1 2.776 0.003 . 1 . . . . A 196 ARG HD3 . 34246 1 1043 . 1 1 110 110 ARG C C 13 175.522 0.000 . 1 . . . . A 196 ARG C . 34246 1 1044 . 1 1 110 110 ARG CA C 13 55.735 0.056 . 1 . . . . A 196 ARG CA . 34246 1 1045 . 1 1 110 110 ARG CB C 13 32.200 0.056 . 1 . . . . A 196 ARG CB . 34246 1 1046 . 1 1 110 110 ARG CG C 13 27.381 0.000 . 1 . . . . A 196 ARG CG . 34246 1 1047 . 1 1 110 110 ARG CD C 13 43.772 0.013 . 1 . . . . A 196 ARG CD . 34246 1 1048 . 1 1 110 110 ARG N N 15 127.788 0.054 . 1 . . . . A 196 ARG N . 34246 1 1049 . 1 1 111 111 LEU H H 1 8.399 0.008 . 1 . . . . A 197 LEU H . 34246 1 1050 . 1 1 111 111 LEU HA H 1 4.174 0.002 . 1 . . . . A 197 LEU HA . 34246 1 1051 . 1 1 111 111 LEU HB2 H 1 1.316 0.015 . 1 . . . . A 197 LEU HB2 . 34246 1 1052 . 1 1 111 111 LEU HB3 H 1 1.284 0.009 . 1 . . . . A 197 LEU HB3 . 34246 1 1053 . 1 1 111 111 LEU HG H 1 1.276 0.010 . 1 . . . . A 197 LEU HG . 34246 1 1054 . 1 1 111 111 LEU HD11 H 1 0.438 0.006 . 2 . . . . A 197 LEU HD11 . 34246 1 1055 . 1 1 111 111 LEU HD12 H 1 0.438 0.006 . 2 . . . . A 197 LEU HD12 . 34246 1 1056 . 1 1 111 111 LEU HD13 H 1 0.438 0.006 . 2 . . . . A 197 LEU HD13 . 34246 1 1057 . 1 1 111 111 LEU HD21 H 1 0.395 0.005 . 2 . . . . A 197 LEU HD21 . 34246 1 1058 . 1 1 111 111 LEU HD22 H 1 0.395 0.005 . 2 . . . . A 197 LEU HD22 . 34246 1 1059 . 1 1 111 111 LEU HD23 H 1 0.395 0.005 . 2 . . . . A 197 LEU HD23 . 34246 1 1060 . 1 1 111 111 LEU C C 13 175.356 0.000 . 1 . . . . A 197 LEU C . 34246 1 1061 . 1 1 111 111 LEU CA C 13 53.920 0.069 . 1 . . . . A 197 LEU CA . 34246 1 1062 . 1 1 111 111 LEU CB C 13 44.301 0.054 . 1 . . . . A 197 LEU CB . 34246 1 1063 . 1 1 111 111 LEU CG C 13 26.802 0.027 . 1 . . . . A 197 LEU CG . 34246 1 1064 . 1 1 111 111 LEU CD1 C 13 25.321 0.022 . 2 . . . . A 197 LEU CD1 . 34246 1 1065 . 1 1 111 111 LEU CD2 C 13 24.171 0.103 . 2 . . . . A 197 LEU CD2 . 34246 1 1066 . 1 1 111 111 LEU N N 15 121.946 0.069 . 1 . . . . A 197 LEU N . 34246 1 1067 . 1 1 112 112 ASP H H 1 8.586 0.012 . 1 . . . . A 198 ASP H . 34246 1 1068 . 1 1 112 112 ASP HA H 1 4.551 0.003 . 1 . . . . A 198 ASP HA . 34246 1 1069 . 1 1 112 112 ASP HB2 H 1 2.237 0.000 . 1 . . . . A 198 ASP HB2 . 34246 1 1070 . 1 1 112 112 ASP HB3 H 1 2.026 0.003 . 1 . . . . A 198 ASP HB3 . 34246 1 1071 . 1 1 112 112 ASP CA C 13 51.261 0.052 . 1 . . . . A 198 ASP CA . 34246 1 1072 . 1 1 112 112 ASP CB C 13 41.499 0.013 . 1 . . . . A 198 ASP CB . 34246 1 1073 . 1 1 112 112 ASP N N 15 120.726 0.095 . 1 . . . . A 198 ASP N . 34246 1 1074 . 1 1 113 113 PRO HA H 1 4.207 0.005 . 1 . . . . A 199 PRO HA . 34246 1 1075 . 1 1 113 113 PRO HB2 H 1 2.083 0.017 . 1 . . . . A 199 PRO HB2 . 34246 1 1076 . 1 1 113 113 PRO HB3 H 1 1.680 0.006 . 1 . . . . A 199 PRO HB3 . 34246 1 1077 . 1 1 113 113 PRO HG2 H 1 1.742 0.010 . 1 . . . . A 199 PRO HG2 . 34246 1 1078 . 1 1 113 113 PRO HG3 H 1 1.831 0.014 . 1 . . . . A 199 PRO HG3 . 34246 1 1079 . 1 1 113 113 PRO HD2 H 1 3.658 0.003 . 1 . . . . A 199 PRO HD2 . 34246 1 1080 . 1 1 113 113 PRO HD3 H 1 3.438 0.006 . 1 . . . . A 199 PRO HD3 . 34246 1 1081 . 1 1 113 113 PRO C C 13 177.361 0.000 . 1 . . . . A 199 PRO C . 34246 1 1082 . 1 1 113 113 PRO CA C 13 63.164 0.031 . 1 . . . . A 199 PRO CA . 34246 1 1083 . 1 1 113 113 PRO CB C 13 32.165 0.028 . 1 . . . . A 199 PRO CB . 34246 1 1084 . 1 1 113 113 PRO CG C 13 27.488 0.040 . 1 . . . . A 199 PRO CG . 34246 1 1085 . 1 1 113 113 PRO CD C 13 51.164 0.009 . 1 . . . . A 199 PRO CD . 34246 1 1086 . 1 1 114 114 ARG H H 1 8.320 0.019 . 1 . . . . A 200 ARG H . 34246 1 1087 . 1 1 114 114 ARG HA H 1 4.115 0.002 . 1 . . . . A 200 ARG HA . 34246 1 1088 . 1 1 114 114 ARG HB2 H 1 1.609 0.025 . 1 . . . . A 200 ARG HB2 . 34246 1 1089 . 1 1 114 114 ARG HB3 H 1 1.641 0.000 . 1 . . . . A 200 ARG HB3 . 34246 1 1090 . 1 1 114 114 ARG HG2 H 1 1.508 0.000 . 1 . . . . A 200 ARG HG2 . 34246 1 1091 . 1 1 114 114 ARG HG3 H 1 1.435 0.000 . 1 . . . . A 200 ARG HG3 . 34246 1 1092 . 1 1 114 114 ARG HD2 H 1 3.003 0.003 . 1 . . . . A 200 ARG HD2 . 34246 1 1093 . 1 1 114 114 ARG HD3 H 1 3.003 0.003 . 1 . . . . A 200 ARG HD3 . 34246 1 1094 . 1 1 114 114 ARG CA C 13 56.450 0.034 . 1 . . . . A 200 ARG CA . 34246 1 1095 . 1 1 114 114 ARG CB C 13 30.987 0.090 . 1 . . . . A 200 ARG CB . 34246 1 1096 . 1 1 114 114 ARG CG C 13 27.236 0.000 . 1 . . . . A 200 ARG CG . 34246 1 1097 . 1 1 114 114 ARG CD C 13 43.464 0.026 . 1 . . . . A 200 ARG CD . 34246 1 1098 . 1 1 114 114 ARG N N 15 122.559 0.116 . 1 . . . . A 200 ARG N . 34246 1 stop_ save_