data_34384 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34384 _Entry.Title ; C-SH2 domain of SHP-2 in complex with phospho-ITSM of PD-1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-03-25 _Entry.Accession_date 2019-03-25 _Entry.Last_release_date 2020-01-27 _Entry.Original_release_date 2020-01-27 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_experimental_methods.ID _Entry_experimental_methods.Method _Entry_experimental_methods.Subtype _Entry_experimental_methods.Entry_ID 1 'SOLUTION NMR' 'SOLUTION NMR' 34384 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 M. Marasco M. . . . 34384 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'PEPTIDE BINDING PROTEIN' . 34384 'SHP-2 C-SH2 ITSM SH2 domain PD-1 phosphotyrosine' . 34384 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34384 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 514 34384 '15N chemical shifts' 125 34384 '1H chemical shifts' 906 34384 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2020-01-31 . original BMRB . 34384 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6R5G . 34384 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34384 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; C-SH2 domain of human SHP2 in complex with phospho-ITSM of PD-1 ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 M. Marasco M. . . . 34384 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34384 _Assembly.ID 1 _Assembly.Name 'Tyrosine-protein phosphatase non-receptor type 11 (E.C.3.1.3.48), ITSM' _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 . . . . . . 34384 1 2 entity_2 2 $entity_2 B B yes . . . . . . 34384 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34384 _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 ; GPMADPTSERWFHGHLSGKE AEKLLTEKGKHGSFLVRESQ SHPGDFVLSVRTGDDKGESN DGKSKVTHVMIRCQELKYDV GGGERFDSLTDLVEHYKKNP MVETLGTVLQLKQPLNTTR ; _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 119 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number 3.1.3.48 _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13301.950 _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 PTP-1D na 34384 1 PTP-2C na 34384 1 'Protein-tyrosine phosphatase 1D' na 34384 1 'Protein-tyrosine phosphatase 2C' na 34384 1 SH-PTP2 na 34384 1 SH-PTP3 na 34384 1 Shp2 na 34384 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 1 102 GLY . 34384 1 2 103 PRO . 34384 1 3 104 MET . 34384 1 4 105 ALA . 34384 1 5 106 ASP . 34384 1 6 107 PRO . 34384 1 7 108 THR . 34384 1 8 109 SER . 34384 1 9 110 GLU . 34384 1 10 111 ARG . 34384 1 11 112 TRP . 34384 1 12 113 PHE . 34384 1 13 114 HIS . 34384 1 14 115 GLY . 34384 1 15 116 HIS . 34384 1 16 117 LEU . 34384 1 17 118 SER . 34384 1 18 119 GLY . 34384 1 19 120 LYS . 34384 1 20 121 GLU . 34384 1 21 122 ALA . 34384 1 22 123 GLU . 34384 1 23 124 LYS . 34384 1 24 125 LEU . 34384 1 25 126 LEU . 34384 1 26 127 THR . 34384 1 27 128 GLU . 34384 1 28 129 LYS . 34384 1 29 130 GLY . 34384 1 30 131 LYS . 34384 1 31 132 HIS . 34384 1 32 133 GLY . 34384 1 33 134 SER . 34384 1 34 135 PHE . 34384 1 35 136 LEU . 34384 1 36 137 VAL . 34384 1 37 138 ARG . 34384 1 38 139 GLU . 34384 1 39 140 SER . 34384 1 40 141 GLN . 34384 1 41 142 SER . 34384 1 42 143 HIS . 34384 1 43 144 PRO . 34384 1 44 145 GLY . 34384 1 45 146 ASP . 34384 1 46 147 PHE . 34384 1 47 148 VAL . 34384 1 48 149 LEU . 34384 1 49 150 SER . 34384 1 50 151 VAL . 34384 1 51 152 ARG . 34384 1 52 153 THR . 34384 1 53 154 GLY . 34384 1 54 155 ASP . 34384 1 55 156 ASP . 34384 1 56 157 LYS . 34384 1 57 158 GLY . 34384 1 58 159 GLU . 34384 1 59 160 SER . 34384 1 60 161 ASN . 34384 1 61 162 ASP . 34384 1 62 163 GLY . 34384 1 63 164 LYS . 34384 1 64 165 SER . 34384 1 65 166 LYS . 34384 1 66 167 VAL . 34384 1 67 168 THR . 34384 1 68 169 HIS . 34384 1 69 170 VAL . 34384 1 70 171 MET . 34384 1 71 172 ILE . 34384 1 72 173 ARG . 34384 1 73 174 CYS . 34384 1 74 175 GLN . 34384 1 75 176 GLU . 34384 1 76 177 LEU . 34384 1 77 178 LYS . 34384 1 78 179 TYR . 34384 1 79 180 ASP . 34384 1 80 181 VAL . 34384 1 81 182 GLY . 34384 1 82 183 GLY . 34384 1 83 184 GLY . 34384 1 84 185 GLU . 34384 1 85 186 ARG . 34384 1 86 187 PHE . 34384 1 87 188 ASP . 34384 1 88 189 SER . 34384 1 89 190 LEU . 34384 1 90 191 THR . 34384 1 91 192 ASP . 34384 1 92 193 LEU . 34384 1 93 194 VAL . 34384 1 94 195 GLU . 34384 1 95 196 HIS . 34384 1 96 197 TYR . 34384 1 97 198 LYS . 34384 1 98 199 LYS . 34384 1 99 200 ASN . 34384 1 100 201 PRO . 34384 1 101 202 MET . 34384 1 102 203 VAL . 34384 1 103 204 GLU . 34384 1 104 205 THR . 34384 1 105 206 LEU . 34384 1 106 207 GLY . 34384 1 107 208 THR . 34384 1 108 209 VAL . 34384 1 109 210 LEU . 34384 1 110 211 GLN . 34384 1 111 212 LEU . 34384 1 112 213 LYS . 34384 1 113 214 GLN . 34384 1 114 215 PRO . 34384 1 115 216 LEU . 34384 1 116 217 ASN . 34384 1 117 218 THR . 34384 1 118 219 THR . 34384 1 119 220 ARG . 34384 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 34384 1 . PRO 2 2 34384 1 . MET 3 3 34384 1 . ALA 4 4 34384 1 . ASP 5 5 34384 1 . PRO 6 6 34384 1 . THR 7 7 34384 1 . SER 8 8 34384 1 . GLU 9 9 34384 1 . ARG 10 10 34384 1 . TRP 11 11 34384 1 . PHE 12 12 34384 1 . HIS 13 13 34384 1 . GLY 14 14 34384 1 . HIS 15 15 34384 1 . LEU 16 16 34384 1 . SER 17 17 34384 1 . GLY 18 18 34384 1 . LYS 19 19 34384 1 . GLU 20 20 34384 1 . ALA 21 21 34384 1 . GLU 22 22 34384 1 . LYS 23 23 34384 1 . LEU 24 24 34384 1 . LEU 25 25 34384 1 . THR 26 26 34384 1 . GLU 27 27 34384 1 . LYS 28 28 34384 1 . GLY 29 29 34384 1 . LYS 30 30 34384 1 . HIS 31 31 34384 1 . GLY 32 32 34384 1 . SER 33 33 34384 1 . PHE 34 34 34384 1 . LEU 35 35 34384 1 . VAL 36 36 34384 1 . ARG 37 37 34384 1 . GLU 38 38 34384 1 . SER 39 39 34384 1 . GLN 40 40 34384 1 . SER 41 41 34384 1 . HIS 42 42 34384 1 . PRO 43 43 34384 1 . GLY 44 44 34384 1 . ASP 45 45 34384 1 . PHE 46 46 34384 1 . VAL 47 47 34384 1 . LEU 48 48 34384 1 . SER 49 49 34384 1 . VAL 50 50 34384 1 . ARG 51 51 34384 1 . THR 52 52 34384 1 . GLY 53 53 34384 1 . ASP 54 54 34384 1 . ASP 55 55 34384 1 . LYS 56 56 34384 1 . GLY 57 57 34384 1 . GLU 58 58 34384 1 . SER 59 59 34384 1 . ASN 60 60 34384 1 . ASP 61 61 34384 1 . GLY 62 62 34384 1 . LYS 63 63 34384 1 . SER 64 64 34384 1 . LYS 65 65 34384 1 . VAL 66 66 34384 1 . THR 67 67 34384 1 . HIS 68 68 34384 1 . VAL 69 69 34384 1 . MET 70 70 34384 1 . ILE 71 71 34384 1 . ARG 72 72 34384 1 . CYS 73 73 34384 1 . GLN 74 74 34384 1 . GLU 75 75 34384 1 . LEU 76 76 34384 1 . LYS 77 77 34384 1 . TYR 78 78 34384 1 . ASP 79 79 34384 1 . VAL 80 80 34384 1 . GLY 81 81 34384 1 . GLY 82 82 34384 1 . GLY 83 83 34384 1 . GLU 84 84 34384 1 . ARG 85 85 34384 1 . PHE 86 86 34384 1 . ASP 87 87 34384 1 . SER 88 88 34384 1 . LEU 89 89 34384 1 . THR 90 90 34384 1 . ASP 91 91 34384 1 . LEU 92 92 34384 1 . VAL 93 93 34384 1 . GLU 94 94 34384 1 . HIS 95 95 34384 1 . TYR 96 96 34384 1 . LYS 97 97 34384 1 . LYS 98 98 34384 1 . ASN 99 99 34384 1 . PRO 100 100 34384 1 . MET 101 101 34384 1 . VAL 102 102 34384 1 . GLU 103 103 34384 1 . THR 104 104 34384 1 . LEU 105 105 34384 1 . GLY 106 106 34384 1 . THR 107 107 34384 1 . VAL 108 108 34384 1 . LEU 109 109 34384 1 . GLN 110 110 34384 1 . LEU 111 111 34384 1 . LYS 112 112 34384 1 . GLN 113 113 34384 1 . PRO 114 114 34384 1 . LEU 115 115 34384 1 . ASN 116 116 34384 1 . THR 117 117 34384 1 . THR 118 118 34384 1 . ARG 119 119 34384 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 34384 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; EQTEXATIVFP ; _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 yes _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 11 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method syn _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 1377.387 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 -4 GLU . 34384 2 2 -3 GLN . 34384 2 3 -2 THR . 34384 2 4 -1 GLU . 34384 2 5 0 PTR . 34384 2 6 1 ALA . 34384 2 7 2 THR . 34384 2 8 3 ILE . 34384 2 9 4 VAL . 34384 2 10 5 PHE . 34384 2 11 6 PRO . 34384 2 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 . GLU 1 1 34384 2 . GLN 2 2 34384 2 . THR 3 3 34384 2 . GLU 4 4 34384 2 . PTR 5 5 34384 2 . ALA 6 6 34384 2 . THR 7 7 34384 2 . ILE 8 8 34384 2 . VAL 9 9 34384 2 . PHE 10 10 34384 2 . PRO 11 11 34384 2 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 34384 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . 'PTPN11, PTP2C, SHPTP2' . 34384 1 2 2 $entity_2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 34384 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 34384 _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 . . . . . . . . . . . . 34384 1 2 2 $entity_2 . 'chemical synthesis' . . . . . . . . . . . . . . . . 34384 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_PTR _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_PTR _Chem_comp.Entry_ID 34384 _Chem_comp.ID PTR _Chem_comp.Provenance PDB _Chem_comp.Name O-PHOSPHOTYROSINE _Chem_comp.Type 'L-PEPTIDE LINKING' _Chem_comp.BMRB_code PTR _Chem_comp.PDB_code PTR _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code Y _Chem_comp.Three_letter_code PTR _Chem_comp.Number_atoms_all 29 _Chem_comp.Number_atoms_nh 17 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C9H12NO6P/c10-8(9(11)12)5-6-1-3-7(4-2-6)16-17(13,14)15/h1-4,8H,5,10H2,(H,11,12)(H2,13,14,15)/t8-/m0/s1 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID TYR _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms PHOSPHONOTYROSINE _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic yes _Chem_comp.Formula 'C9 H12 N O6 P' _Chem_comp.Formula_weight 261.168 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID DCWXELXMIBXGTH-QMMMGPOBSA-N InChIKey InChI 1.03 34384 PTR InChI=1S/C9H12NO6P/c10-8(9(11)12)5-6-1-3-7(4-2-6)16-17(13,14)15/h1-4,8H,5,10H2,(H,11,12)(H2,13,14,15)/t8-/m0/s1 InChI InChI 1.03 34384 PTR N[C@@H](Cc1ccc(O[P](O)(O)=O)cc1)C(O)=O SMILES_CANONICAL CACTVS 3.341 34384 PTR N[CH](Cc1ccc(O[P](O)(O)=O)cc1)C(O)=O SMILES CACTVS 3.341 34384 PTR O=P(Oc1ccc(cc1)CC(C(=O)O)N)(O)O SMILES ACDLabs 10.04 34384 PTR c1cc(ccc1CC(C(=O)O)N)OP(=O)(O)O SMILES 'OpenEye OEToolkits' 1.5.0 34384 PTR c1cc(ccc1C[C@@H](C(=O)O)N)OP(=O)(O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 34384 PTR stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID '(2S)-2-amino-3-(4-phosphonooxyphenyl)propanoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 34384 PTR O-phosphono-L-tyrosine 'SYSTEMATIC NAME' ACDLabs 10.04 34384 PTR stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID N N N N . N . . N 0 . . . 1 no no . . . . 46.366 . 11.139 . -0.665 . 1.298 0.975 3.302 1 . 34384 PTR CA CA CA CA . C . . S 0 . . . 1 no no . . . . 44.969 . 11.616 . -0.749 . -0.036 0.399 3.512 2 . 34384 PTR C C C C . C . . N 0 . . . 1 no no . . . . 44.978 . 13.010 . -1.358 . -0.148 -0.106 4.928 3 . 34384 PTR O O O O . O . . N 0 . . . 1 no no . . . . 43.891 . 13.514 . -1.708 . 0.833 -0.507 5.505 4 . 34384 PTR OXT OXT OXT OXT . O . . N 0 . . . 1 no yes . . . . 46.088 . 13.575 . -1.497 . -1.339 -0.110 5.546 5 . 34384 PTR CB CB CB CB . C . . N 0 . . . 1 no no . . . . 44.332 . 11.618 . 0.644 . -0.250 -0.760 2.538 6 . 34384 PTR CG CG CG CG . C . . N 0 . . . 1 yes no . . . . 44.885 . 12.640 . 1.620 . -0.138 -0.254 1.123 7 . 34384 PTR CD1 CD1 CD1 CD1 . C . . N 0 . . . 1 yes no . . . . 45.913 . 12.302 . 2.506 . 1.089 -0.250 0.487 8 . 34384 PTR CD2 CD2 CD2 CD2 . C . . N 0 . . . 1 yes no . . . . 44.319 . 13.921 . 1.716 . -1.264 0.198 0.461 9 . 34384 PTR CE1 CE1 CE1 CE1 . C . . N 0 . . . 1 yes no . . . . 46.364 . 13.214 . 3.480 . 1.194 0.212 -0.810 10 . 34384 PTR CE2 CE2 CE2 CE2 . C . . N 0 . . . 1 yes no . . . . 44.753 . 14.849 . 2.683 . -1.163 0.668 -0.834 11 . 34384 PTR CZ CZ CZ CZ . C . . N 0 . . . 1 yes no . . . . 45.772 . 14.487 . 3.562 . 0.067 0.673 -1.474 12 . 34384 PTR OH OH OH OH . O . . N 0 . . . 1 no no . . . . 46.216 . 15.385 . 4.594 . 0.168 1.129 -2.750 13 . 34384 PTR P P P P . P . . N 0 . . . 1 no no . . . . 45.382 . 15.884 . 5.757 . -0.065 -0.136 -3.717 14 . 34384 PTR O1P O1P O1P O1P . O . . N 0 . . . 1 no no . . . . 44.096 . 16.422 . 5.355 . -1.409 -0.705 -3.467 15 . 34384 PTR O2P O2P O2P O2P . O . . N 0 . . . 1 no no . . . . 46.274 . 16.938 . 6.218 . 0.040 0.334 -5.253 16 . 34384 PTR O3P O3P O3P O3P . O . . N 0 . . . 1 no no . . . . 45.279 . 14.830 . 6.778 . 1.053 -1.253 -3.419 17 . 34384 PTR H H H 1HN . H . . N 0 . . . 1 no no . . . . 46.360 . 10.204 . -0.256 . 1.963 0.235 3.473 18 . 34384 PTR HN2 HN2 HN2 2HN . H . . N 0 . . . 1 no yes . . . . 46.972 . 11.785 . -0.159 . 1.365 1.204 2.322 19 . 34384 PTR HA HA HA HA . H . . N 0 . . . 1 no no . . . . 44.360 . 10.939 . -1.392 . -0.793 1.164 3.339 20 . 34384 PTR HXT HXT HXT HXT . H . . N 0 . . . 1 no yes . . . . 46.093 . 14.445 . -1.877 . -1.411 -0.435 6.454 21 . 34384 PTR HB2 HB2 HB2 1HB . H . . N 0 . . . 1 no no . . . . 43.226 . 11.735 . 0.556 . 0.506 -1.525 2.711 22 . 34384 PTR HB3 HB3 HB3 2HB . H . . N 0 . . . 1 no no . . . . 44.388 . 10.597 . 1.089 . -1.241 -1.187 2.694 23 . 34384 PTR HD1 HD1 HD1 HD1 . H . . N 0 . . . 1 no no . . . . 46.374 . 11.302 . 2.435 . 1.966 -0.609 1.004 24 . 34384 PTR HD2 HD2 HD2 HD2 . H . . N 0 . . . 1 no no . . . . 43.515 . 14.204 . 1.015 . -2.222 0.194 0.959 25 . 34384 PTR HE1 HE1 HE1 HE1 . H . . N 0 . . . 1 no no . . . . 47.174 . 12.933 . 4.173 . 2.154 0.216 -1.306 26 . 34384 PTR HE2 HE2 HE2 HE2 . H . . N 0 . . . 1 no no . . . . 44.298 . 15.851 . 2.751 . -2.041 1.026 -1.349 27 . 34384 PTR HO2P HO2P HO2P PHO2 . H . . N 0 . . . 0 no no . . . . 45.751 . 17.250 . 6.947 . -0.105 -0.451 -5.797 28 . 34384 PTR HO3P HO3P HO3P PHO3 . H . . N 0 . . . 0 no no . . . . 44.756 . 15.142 . 7.507 . 1.911 -0.843 -3.593 29 . 34384 PTR stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING N CA no N 1 . 34384 PTR 2 . SING N H no N 2 . 34384 PTR 3 . SING N HN2 no N 3 . 34384 PTR 4 . SING CA C no N 4 . 34384 PTR 5 . SING CA CB no N 5 . 34384 PTR 6 . SING CA HA no N 6 . 34384 PTR 7 . DOUB C O no N 7 . 34384 PTR 8 . SING C OXT no N 8 . 34384 PTR 9 . SING OXT HXT no N 9 . 34384 PTR 10 . SING CB CG no N 10 . 34384 PTR 11 . SING CB HB2 no N 11 . 34384 PTR 12 . SING CB HB3 no N 12 . 34384 PTR 13 . DOUB CG CD1 yes N 13 . 34384 PTR 14 . SING CG CD2 yes N 14 . 34384 PTR 15 . SING CD1 CE1 yes N 15 . 34384 PTR 16 . SING CD1 HD1 no N 16 . 34384 PTR 17 . DOUB CD2 CE2 yes N 17 . 34384 PTR 18 . SING CD2 HD2 no N 18 . 34384 PTR 19 . DOUB CE1 CZ yes N 19 . 34384 PTR 20 . SING CE1 HE1 no N 20 . 34384 PTR 21 . SING CE2 CZ yes N 21 . 34384 PTR 22 . SING CE2 HE2 no N 22 . 34384 PTR 23 . SING CZ OH no N 23 . 34384 PTR 24 . SING OH P no N 24 . 34384 PTR 25 . DOUB P O1P no N 25 . 34384 PTR 26 . SING P O2P no N 26 . 34384 PTR 27 . SING P O3P no N 27 . 34384 PTR 28 . SING O2P HO2P no N 28 . 34384 PTR 29 . SING O3P HO3P no N 29 . 34384 PTR stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34384 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '800 uM [U-13C; U-15N] C-SH2 domain of SHP-2, 1000 uM ITSM, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'C-SH2 domain of SHP-2' '[U-13C; U-15N]' . . 1 $entity_1 . . 800 . . uM . . . . 34384 1 2 ITSM 'natural abundance' . . 2 $entity_2 . . 1000 . . uM . . . . 34384 1 3 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 34384 1 4 'MES (2-(N-morpholino)ethanesulfonic acid)' 'natural abundance' . . . . . . 10 . . mM . . . . 34384 1 5 'TCEP (tris(2-carboxyethyl)phosphine)' 'natural abundance' . . . . . . 3 . . mM . . . . 34384 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 34384 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '800 uM [U-13C; U-15N] C-SH2 domain of SHP-2, 640 uM ITSM, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'C-SH2 domain of SHP-2' '[U-13C; U-15N]' . . 1 $entity_1 . . 800 . . uM . . . . 34384 2 2 ITSM 'natural abundance' . . 2 $entity_2 . . 640 . . uM . . . . 34384 2 3 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 34384 2 4 'MES (2-(N-morpholino)ethanesulfonic acid)' 'natural abundance' . . . . . . 10 . . mM . . . . 34384 2 5 'TCEP (tris(2-carboxyethyl)phosphine)' 'natural abundance' . . . . . . 3 . . mM . . . . 34384 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 34384 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 150 . mM 34384 1 pH 6.8 . pH 34384 1 pressure 1 . atm 34384 1 temperature 298 . K 34384 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34384 _Software.ID 1 _Software.Type . _Software.Name TopSpin _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 34384 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 34384 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34384 _Software.ID 2 _Software.Type . _Software.Name 'CcpNmr Analysis' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 34384 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 34384 2 . 'peak picking' 34384 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34384 _Software.ID 3 _Software.Type . _Software.Name ARIA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "Linge, O'Donoghue and Nilges" . . 34384 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'structure calculation' 34384 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34384 _Software.ID 4 _Software.Type . _Software.Name CNS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 34384 4 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'structure calculation' 34384 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 34384 _Software.ID 5 _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' . . 34384 5 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 34384 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 34384 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III HD' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 34384 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III HD' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 34384 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker 'AVANCE III HD' . 850 . . . 34384 1 2 NMR_spectrometer_2 Bruker 'AVANCE III HD' . 600 . . . 34384 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 34384 _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 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34384 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34384 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34384 1 4 '3D HN(COCA)CB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34384 1 5 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34384 1 6 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34384 1 7 '3D NOESY-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34384 1 8 '3D 13C/15N-filtered NOESY-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34384 1 9 '2D 13C/15N-filtered 1H-1H NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34384 1 10 '2D 13C/15N-filtered 1H-1H TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34384 1 11 '3D NOESY-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34384 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 34384 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.773 internal indirect 0.25144953 . . . . . 34384 1 H 1 water protons . . . . ppm 4.773 internal direct 1.0 . . . . . 34384 1 N 15 water protons . . . . ppm 4.773 internal indirect 0.10132912 . . . . . 34384 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 34384 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 34384 1 2 '3D HNCO' . . . 34384 1 3 '3D HNCACB' . . . 34384 1 4 '3D HN(COCA)CB' . . . 34384 1 5 '3D HCCH-TOCSY' . . . 34384 1 6 '2D 1H-13C HSQC' . . . 34384 1 7 '3D NOESY-13C HSQC' . . . 34384 1 8 '3D 13C/15N-filtered NOESY-13C HSQC' . . . 34384 1 9 '2D 13C/15N-filtered 1H-1H NOESY' . . . 34384 1 10 '2D 13C/15N-filtered 1H-1H TOCSY' . . . 34384 1 11 '3D NOESY-15N HSQC' . . . 34384 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 GLY HA2 H 1 4.017 0.004 . 2 . . 1316 . A 102 GLY HA2 . 34384 1 2 . 1 . 1 1 1 GLY HA3 H 1 4.017 0.004 . 2 . . 1315 . A 102 GLY HA3 . 34384 1 3 . 1 . 1 2 2 PRO HA H 1 4.493 0.003 . 1 . . 1262 . A 103 PRO HA . 34384 1 4 . 1 . 1 2 2 PRO HB2 H 1 1.962 0.016 . 2 . . 1263 . A 103 PRO HB2 . 34384 1 5 . 1 . 1 2 2 PRO HB3 H 1 2.321 0.005 . 2 . . 1264 . A 103 PRO HB3 . 34384 1 6 . 1 . 1 2 2 PRO HG2 H 1 2.017 0.006 . 2 . . 1269 . A 103 PRO HG2 . 34384 1 7 . 1 . 1 2 2 PRO HG3 H 1 2.017 0.006 . 2 . . 1270 . A 103 PRO HG3 . 34384 1 8 . 1 . 1 2 2 PRO HD2 H 1 3.576 0.002 . 2 . . 1266 . A 103 PRO HD2 . 34384 1 9 . 1 . 1 2 2 PRO HD3 H 1 3.616 0.007 . 2 . . 1267 . A 103 PRO HD3 . 34384 1 10 . 1 . 1 2 2 PRO C C 13 176.805 . . 1 . . 583 . A 103 PRO C . 34384 1 11 . 1 . 1 2 2 PRO CA C 13 63.231 0.011 . 1 . . 564 . A 103 PRO CA . 34384 1 12 . 1 . 1 2 2 PRO CB C 13 32.297 0.068 . 1 . . 563 . A 103 PRO CB . 34384 1 13 . 1 . 1 2 2 PRO CG C 13 27.064 0.031 . 1 . . 1268 . A 103 PRO CG . 34384 1 14 . 1 . 1 2 2 PRO CD C 13 49.687 0.024 . 1 . . 1265 . A 103 PRO CD . 34384 1 15 . 1 . 1 3 3 MET H H 1 8.524 0.004 . 1 . . 558 . A 104 MET H . 34384 1 16 . 1 . 1 3 3 MET HA H 1 4.488 0.002 . 1 . . 790 . A 104 MET HA . 34384 1 17 . 1 . 1 3 3 MET HB2 H 1 2.052 0.004 . 2 . . 794 . A 104 MET HB2 . 34384 1 18 . 1 . 1 3 3 MET HB3 H 1 2.118 0.004 . 2 . . 795 . A 104 MET HB3 . 34384 1 19 . 1 . 1 3 3 MET HG2 H 1 2.652 0.002 . 2 . . 792 . A 104 MET HG2 . 34384 1 20 . 1 . 1 3 3 MET HG3 H 1 2.589 0.003 . 2 . . 793 . A 104 MET HG3 . 34384 1 21 . 1 . 1 3 3 MET HE1 H 1 2.113 . . 1 . . 1417 . A 104 MET HE1 . 34384 1 22 . 1 . 1 3 3 MET HE2 H 1 2.113 . . 1 . . 1417 . A 104 MET HE2 . 34384 1 23 . 1 . 1 3 3 MET HE3 H 1 2.113 . . 1 . . 1417 . A 104 MET HE3 . 34384 1 24 . 1 . 1 3 3 MET C C 13 175.764 . . 1 . . 584 . A 104 MET C . 34384 1 25 . 1 . 1 3 3 MET CA C 13 55.380 0.029 . 1 . . 460 . A 104 MET CA . 34384 1 26 . 1 . 1 3 3 MET CB C 13 32.881 0.02 . 1 . . 562 . A 104 MET CB . 34384 1 27 . 1 . 1 3 3 MET CG C 13 32.100 0.02 . 1 . . 791 . A 104 MET CG . 34384 1 28 . 1 . 1 3 3 MET CE C 13 17.059 . . 1 . . 1418 . A 104 MET CE . 34384 1 29 . 1 . 1 3 3 MET N N 15 120.428 0.007 . 1 . . 559 . A 104 MET N . 34384 1 30 . 1 . 1 4 4 ALA H H 1 8.308 0.001 . 1 . . 11 . A 105 ALA H . 34384 1 31 . 1 . 1 4 4 ALA HA H 1 4.316 0.002 . 1 . . 786 . A 105 ALA HA . 34384 1 32 . 1 . 1 4 4 ALA HB1 H 1 1.380 0.004 . 1 . . 787 . A 105 ALA HB1 . 34384 1 33 . 1 . 1 4 4 ALA HB2 H 1 1.380 0.004 . 1 . . 787 . A 105 ALA HB2 . 34384 1 34 . 1 . 1 4 4 ALA HB3 H 1 1.380 0.004 . 1 . . 787 . A 105 ALA HB3 . 34384 1 35 . 1 . 1 4 4 ALA C C 13 177.081 . . 1 . . 466 . A 105 ALA C . 34384 1 36 . 1 . 1 4 4 ALA CA C 13 52.347 0.035 . 1 . . 309 . A 105 ALA CA . 34384 1 37 . 1 . 1 4 4 ALA CB C 13 19.397 0.021 . 1 . . 308 . A 105 ALA CB . 34384 1 38 . 1 . 1 4 4 ALA N N 15 125.433 0.01 . 1 . . 12 . A 105 ALA N . 34384 1 39 . 1 . 1 5 5 ASP H H 1 8.347 0.003 . 1 . . 181 . A 106 ASP H . 34384 1 40 . 1 . 1 5 5 ASP HA H 1 4.827 0.008 . 1 . . 1177 . A 106 ASP HA . 34384 1 41 . 1 . 1 5 5 ASP HB2 H 1 2.553 0.006 . 2 . . 1178 . A 106 ASP HB2 . 34384 1 42 . 1 . 1 5 5 ASP HB3 H 1 2.649 0.005 . 2 . . 1179 . A 106 ASP HB3 . 34384 1 43 . 1 . 1 5 5 ASP CA C 13 52.065 0.024 . 1 . . 310 . A 106 ASP CA . 34384 1 44 . 1 . 1 5 5 ASP CB C 13 41.181 0.025 . 1 . . 311 . A 106 ASP CB . 34384 1 45 . 1 . 1 5 5 ASP N N 15 121.335 0.003 . 1 . . 182 . A 106 ASP N . 34384 1 46 . 1 . 1 6 6 PRO HA H 1 4.259 0.002 . 1 . . 1226 . A 107 PRO HA . 34384 1 47 . 1 . 1 6 6 PRO HB2 H 1 1.378 0.023 . 2 . . 1227 . A 107 PRO HB2 . 34384 1 48 . 1 . 1 6 6 PRO HB3 H 1 1.974 0.006 . 2 . . 1228 . A 107 PRO HB3 . 34384 1 49 . 1 . 1 6 6 PRO HG2 H 1 1.317 0.004 . 2 . . 1233 . A 107 PRO HG2 . 34384 1 50 . 1 . 1 6 6 PRO HG3 H 1 1.682 0.008 . 2 . . 1234 . A 107 PRO HG3 . 34384 1 51 . 1 . 1 6 6 PRO HD2 H 1 3.570 0.003 . 2 . . 1230 . A 107 PRO HD2 . 34384 1 52 . 1 . 1 6 6 PRO HD3 H 1 3.784 0.005 . 2 . . 1231 . A 107 PRO HD3 . 34384 1 53 . 1 . 1 6 6 PRO C C 13 176.367 . . 1 . . 467 . A 107 PRO C . 34384 1 54 . 1 . 1 6 6 PRO CA C 13 63.975 0.034 . 1 . . 464 . A 107 PRO CA . 34384 1 55 . 1 . 1 6 6 PRO CB C 13 31.558 0.028 . 1 . . 465 . A 107 PRO CB . 34384 1 56 . 1 . 1 6 6 PRO CG C 13 26.916 0.03 . 1 . . 1232 . A 107 PRO CG . 34384 1 57 . 1 . 1 6 6 PRO CD C 13 50.526 0.031 . 1 . . 1229 . A 107 PRO CD . 34384 1 58 . 1 . 1 7 7 THR H H 1 7.493 0.003 . 1 . . 93 . A 108 THR H . 34384 1 59 . 1 . 1 7 7 THR HA H 1 4.094 0.005 . 1 . . 757 . A 108 THR HA . 34384 1 60 . 1 . 1 7 7 THR HB H 1 4.086 0.009 . 1 . . 760 . A 108 THR HB . 34384 1 61 . 1 . 1 7 7 THR HG21 H 1 0.882 0.008 . 1 . . 759 . A 108 THR HG21 . 34384 1 62 . 1 . 1 7 7 THR HG22 H 1 0.882 0.008 . 1 . . 759 . A 108 THR HG22 . 34384 1 63 . 1 . 1 7 7 THR HG23 H 1 0.882 0.008 . 1 . . 759 . A 108 THR HG23 . 34384 1 64 . 1 . 1 7 7 THR C C 13 173.828 . . 1 . . 468 . A 108 THR C . 34384 1 65 . 1 . 1 7 7 THR CA C 13 62.337 0.033 . 1 . . 447 . A 108 THR CA . 34384 1 66 . 1 . 1 7 7 THR CB C 13 68.629 0.025 . 1 . . 446 . A 108 THR CB . 34384 1 67 . 1 . 1 7 7 THR CG2 C 13 20.988 0.027 . 1 . . 758 . A 108 THR CG2 . 34384 1 68 . 1 . 1 7 7 THR N N 15 110.085 0.046 . 1 . . 94 . A 108 THR N . 34384 1 69 . 1 . 1 8 8 SER H H 1 7.959 0.006 . 1 . . 169 . A 109 SER H . 34384 1 70 . 1 . 1 8 8 SER HA H 1 4.328 0.002 . 1 . . 1009 . A 109 SER HA . 34384 1 71 . 1 . 1 8 8 SER HB2 H 1 3.771 0.002 . 2 . . 1010 . A 109 SER HB2 . 34384 1 72 . 1 . 1 8 8 SER HB3 H 1 3.827 0.001 . 2 . . 1011 . A 109 SER HB3 . 34384 1 73 . 1 . 1 8 8 SER C C 13 174.680 . . 1 . . 469 . A 109 SER C . 34384 1 74 . 1 . 1 8 8 SER CA C 13 58.508 0.042 . 1 . . 448 . A 109 SER CA . 34384 1 75 . 1 . 1 8 8 SER CB C 13 63.783 0.014 . 1 . . 449 . A 109 SER CB . 34384 1 76 . 1 . 1 8 8 SER N N 15 117.220 0.056 . 1 . . 170 . A 109 SER N . 34384 1 77 . 1 . 1 9 9 GLU H H 1 7.660 0.006 . 1 . . 227 . A 110 GLU H . 34384 1 78 . 1 . 1 9 9 GLU HA H 1 4.017 0.015 . 1 . . 925 . A 110 GLU HA . 34384 1 79 . 1 . 1 9 9 GLU HB2 H 1 0.481 0.013 . 2 . . 929 . A 110 GLU HB2 . 34384 1 80 . 1 . 1 9 9 GLU HB3 H 1 0.481 0.013 . 2 . . 1175 . A 110 GLU HB3 . 34384 1 81 . 1 . 1 9 9 GLU HG2 H 1 1.879 0.005 . 2 . . 927 . A 110 GLU HG2 . 34384 1 82 . 1 . 1 9 9 GLU HG3 H 1 1.979 0.011 . 2 . . 928 . A 110 GLU HG3 . 34384 1 83 . 1 . 1 9 9 GLU C C 13 178.149 . . 1 . . 470 . A 110 GLU C . 34384 1 84 . 1 . 1 9 9 GLU CA C 13 55.614 0.032 . 1 . . 450 . A 110 GLU CA . 34384 1 85 . 1 . 1 9 9 GLU CB C 13 28.080 0.023 . 1 . . 451 . A 110 GLU CB . 34384 1 86 . 1 . 1 9 9 GLU CG C 13 35.210 0.03 . 1 . . 926 . A 110 GLU CG . 34384 1 87 . 1 . 1 9 9 GLU N N 15 122.072 0.069 . 1 . . 228 . A 110 GLU N . 34384 1 88 . 1 . 1 10 10 ARG H H 1 8.854 0.027 . 1 . . 147 . A 111 ARG H . 34384 1 89 . 1 . 1 10 10 ARG HA H 1 4.075 0.007 . 1 . . 808 . A 111 ARG HA . 34384 1 90 . 1 . 1 10 10 ARG HB2 H 1 1.928 0.019 . 2 . . 811 . A 111 ARG HB2 . 34384 1 91 . 1 . 1 10 10 ARG HB3 H 1 1.591 0.006 . 2 . . 812 . A 111 ARG HB3 . 34384 1 92 . 1 . 1 10 10 ARG HG2 H 1 1.773 0.007 . 2 . . 814 . A 111 ARG HG2 . 34384 1 93 . 1 . 1 10 10 ARG HG3 H 1 1.590 0.004 . 2 . . 815 . A 111 ARG HG3 . 34384 1 94 . 1 . 1 10 10 ARG HD2 H 1 3.157 0.002 . 2 . . 810 . A 111 ARG HD2 . 34384 1 95 . 1 . 1 10 10 ARG HD3 H 1 3.157 0.002 . 2 . . 1172 . A 111 ARG HD3 . 34384 1 96 . 1 . 1 10 10 ARG HE H 1 7.071 0.001 . 1 . . 1400 . A 111 ARG HE . 34384 1 97 . 1 . 1 10 10 ARG C C 13 175.030 . . 1 . . 472 . A 111 ARG C . 34384 1 98 . 1 . 1 10 10 ARG CA C 13 57.501 0.042 . 1 . . 453 . A 111 ARG CA . 34384 1 99 . 1 . 1 10 10 ARG CB C 13 29.681 0.041 . 1 . . 452 . A 111 ARG CB . 34384 1 100 . 1 . 1 10 10 ARG CG C 13 27.387 0.031 . 1 . . 813 . A 111 ARG CG . 34384 1 101 . 1 . 1 10 10 ARG CD C 13 42.957 0.021 . 1 . . 809 . A 111 ARG CD . 34384 1 102 . 1 . 1 10 10 ARG N N 15 120.058 0.076 . 1 . . 148 . A 111 ARG N . 34384 1 103 . 1 . 1 10 10 ARG NE N 15 83.851 . . 1 . . 1403 . A 111 ARG NE . 34384 1 104 . 1 . 1 11 11 TRP H H 1 6.373 0.01 . 1 . . 244 . A 112 TRP H . 34384 1 105 . 1 . 1 11 11 TRP HA H 1 4.989 0.01 . 1 . . 1036 . A 112 TRP HA . 34384 1 106 . 1 . 1 11 11 TRP HB2 H 1 3.042 0.012 . 2 . . 1037 . A 112 TRP HB2 . 34384 1 107 . 1 . 1 11 11 TRP HB3 H 1 3.764 0.008 . 2 . . 1038 . A 112 TRP HB3 . 34384 1 108 . 1 . 1 11 11 TRP HD1 H 1 7.468 0.007 . 1 . . 1392 . A 112 TRP HD1 . 34384 1 109 . 1 . 1 11 11 TRP HE1 H 1 10.825 0.002 . 1 . . 1419 . A 112 TRP HE1 . 34384 1 110 . 1 . 1 11 11 TRP HE3 H 1 6.737 0.023 . 1 . . 1390 . A 112 TRP HE3 . 34384 1 111 . 1 . 1 11 11 TRP HZ2 H 1 7.564 0.006 . 1 . . 1382 . A 112 TRP HZ2 . 34384 1 112 . 1 . 1 11 11 TRP HZ3 H 1 7.445 0.006 . 1 . . 1384 . A 112 TRP HZ3 . 34384 1 113 . 1 . 1 11 11 TRP HH2 H 1 6.735 0.011 . 1 . . 1380 . A 112 TRP HH2 . 34384 1 114 . 1 . 1 11 11 TRP C C 13 176.077 . . 1 . . 471 . A 112 TRP C . 34384 1 115 . 1 . 1 11 11 TRP CA C 13 54.331 0.023 . 1 . . 454 . A 112 TRP CA . 34384 1 116 . 1 . 1 11 11 TRP CB C 13 29.433 0.039 . 1 . . 455 . A 112 TRP CB . 34384 1 117 . 1 . 1 11 11 TRP CD1 C 13 129.940 0.048 . 1 . . 1391 . A 112 TRP CD1 . 34384 1 118 . 1 . 1 11 11 TRP CE3 C 13 120.268 0.067 . 1 . . 1379 . A 112 TRP CE3 . 34384 1 119 . 1 . 1 11 11 TRP CZ2 C 13 115.218 0.05 . 1 . . 1381 . A 112 TRP CZ2 . 34384 1 120 . 1 . 1 11 11 TRP CZ3 C 13 121.209 0.055 . 1 . . 1383 . A 112 TRP CZ3 . 34384 1 121 . 1 . 1 11 11 TRP CH2 C 13 124.036 0.056 . 1 . . 1389 . A 112 TRP CH2 . 34384 1 122 . 1 . 1 11 11 TRP N N 15 109.755 0.087 . 1 . . 243 . A 112 TRP N . 34384 1 123 . 1 . 1 11 11 TRP NE1 N 15 132.420 0.024 . 1 . . 1288 . A 112 TRP NE1 . 34384 1 124 . 1 . 1 12 12 PHE H H 1 7.723 0.004 . 1 . . 27 . A 113 PHE H . 34384 1 125 . 1 . 1 12 12 PHE HA H 1 5.471 0.012 . 1 . . 993 . A 113 PHE HA . 34384 1 126 . 1 . 1 12 12 PHE HB2 H 1 2.573 0.009 . 2 . . 994 . A 113 PHE HB2 . 34384 1 127 . 1 . 1 12 12 PHE HB3 H 1 3.101 0.007 . 2 . . 995 . A 113 PHE HB3 . 34384 1 128 . 1 . 1 12 12 PHE HD1 H 1 7.194 0.005 . 1 . . 1284 . A 113 PHE HD1 . 34384 1 129 . 1 . 1 12 12 PHE HD2 H 1 7.194 0.005 . 1 . . 1284 . A 113 PHE HD2 . 34384 1 130 . 1 . 1 12 12 PHE HE1 H 1 7.445 0.007 . 1 . . 1386 . A 113 PHE HE1 . 34384 1 131 . 1 . 1 12 12 PHE HE2 H 1 7.445 0.007 . 1 . . 1386 . A 113 PHE HE2 . 34384 1 132 . 1 . 1 12 12 PHE HZ H 1 7.837 0.006 . 1 . . 1388 . A 113 PHE HZ . 34384 1 133 . 1 . 1 12 12 PHE C C 13 175.088 . . 1 . . 473 . A 113 PHE C . 34384 1 134 . 1 . 1 12 12 PHE CA C 13 57.773 0.031 . 1 . . 456 . A 113 PHE CA . 34384 1 135 . 1 . 1 12 12 PHE CB C 13 39.459 0.021 . 1 . . 457 . A 113 PHE CB . 34384 1 136 . 1 . 1 12 12 PHE CD1 C 13 132.327 0.045 . 1 . . 1285 . A 113 PHE CD1 . 34384 1 137 . 1 . 1 12 12 PHE CD2 C 13 132.327 0.045 . 1 . . 1285 . A 113 PHE CD2 . 34384 1 138 . 1 . 1 12 12 PHE CE1 C 13 131.350 0.079 . 1 . . 1385 . A 113 PHE CE1 . 34384 1 139 . 1 . 1 12 12 PHE CE2 C 13 131.350 0.079 . 1 . . 1385 . A 113 PHE CE2 . 34384 1 140 . 1 . 1 12 12 PHE CZ C 13 130.471 0.069 . 1 . . 1387 . A 113 PHE CZ . 34384 1 141 . 1 . 1 12 12 PHE N N 15 123.596 0.017 . 1 . . 28 . A 113 PHE N . 34384 1 142 . 1 . 1 13 13 HIS H H 1 9.216 0.007 . 1 . . 51 . A 114 HIS H . 34384 1 143 . 1 . 1 13 13 HIS HA H 1 4.252 0.005 . 1 . . 1180 . A 114 HIS HA . 34384 1 144 . 1 . 1 13 13 HIS HB2 H 1 2.577 0.007 . 2 . . 1181 . A 114 HIS HB2 . 34384 1 145 . 1 . 1 13 13 HIS HB3 H 1 3.303 0.013 . 2 . . 1182 . A 114 HIS HB3 . 34384 1 146 . 1 . 1 13 13 HIS HD2 H 1 7.438 0.011 . 1 . . 1289 . A 114 HIS HD2 . 34384 1 147 . 1 . 1 13 13 HIS HE1 H 1 7.340 0.006 . 1 . . 1396 . A 114 HIS HE1 . 34384 1 148 . 1 . 1 13 13 HIS CA C 13 56.514 0.028 . 1 . . 458 . A 114 HIS CA . 34384 1 149 . 1 . 1 13 13 HIS CB C 13 33.867 0.047 . 1 . . 459 . A 114 HIS CB . 34384 1 150 . 1 . 1 13 13 HIS CD2 C 13 117.913 0.046 . 1 . . 1290 . A 114 HIS CD2 . 34384 1 151 . 1 . 1 13 13 HIS CE1 C 13 135.618 0.067 . 1 . . 1397 . A 114 HIS CE1 . 34384 1 152 . 1 . 1 13 13 HIS N N 15 126.138 0.046 . 1 . . 52 . A 114 HIS N . 34384 1 153 . 1 . 1 14 14 GLY HA2 H 1 3.807 0.005 . 2 . . 901 . A 115 GLY HA2 . 34384 1 154 . 1 . 1 14 14 GLY HA3 H 1 3.389 0.004 . 2 . . 902 . A 115 GLY HA3 . 34384 1 155 . 1 . 1 14 14 GLY C C 13 173.902 . . 1 . . 474 . A 115 GLY C . 34384 1 156 . 1 . 1 14 14 GLY CA C 13 47.717 0.02 . 1 . . 365 . A 115 GLY CA . 34384 1 157 . 1 . 1 15 15 HIS H H 1 8.888 0.012 . 1 . . 17 . A 116 HIS H . 34384 1 158 . 1 . 1 15 15 HIS HA H 1 4.567 0.004 . 1 . . 981 . A 116 HIS HA . 34384 1 159 . 1 . 1 15 15 HIS HB2 H 1 3.135 0.005 . 2 . . 982 . A 116 HIS HB2 . 34384 1 160 . 1 . 1 15 15 HIS HB3 H 1 3.390 0.007 . 2 . . 983 . A 116 HIS HB3 . 34384 1 161 . 1 . 1 15 15 HIS HD2 H 1 7.275 0.004 . 1 . . 1398 . A 116 HIS HD2 . 34384 1 162 . 1 . 1 15 15 HIS C C 13 172.582 . . 1 . . 475 . A 116 HIS C . 34384 1 163 . 1 . 1 15 15 HIS CA C 13 56.379 0.028 . 1 . . 326 . A 116 HIS CA . 34384 1 164 . 1 . 1 15 15 HIS CB C 13 27.519 0.025 . 1 . . 327 . A 116 HIS CB . 34384 1 165 . 1 . 1 15 15 HIS CD2 C 13 120.491 0.042 . 1 . . 1399 . A 116 HIS CD2 . 34384 1 166 . 1 . 1 15 15 HIS N N 15 127.102 0.109 . 1 . . 18 . A 116 HIS N . 34384 1 167 . 1 . 1 16 16 LEU H H 1 7.841 0.014 . 1 . . 223 . A 117 LEU H . 34384 1 168 . 1 . 1 16 16 LEU HA H 1 4.419 0.006 . 1 . . 585 . A 117 LEU HA . 34384 1 169 . 1 . 1 16 16 LEU HB2 H 1 1.381 0.007 . 2 . . 590 . A 117 LEU HB2 . 34384 1 170 . 1 . 1 16 16 LEU HB3 H 1 1.487 0.006 . 2 . . 591 . A 117 LEU HB3 . 34384 1 171 . 1 . 1 16 16 LEU HG H 1 1.726 0.007 . 1 . . 593 . A 117 LEU HG . 34384 1 172 . 1 . 1 16 16 LEU HD11 H 1 0.702 0.007 . 2 . . 587 . A 117 LEU HD11 . 34384 1 173 . 1 . 1 16 16 LEU HD12 H 1 0.702 0.007 . 2 . . 587 . A 117 LEU HD12 . 34384 1 174 . 1 . 1 16 16 LEU HD13 H 1 0.702 0.007 . 2 . . 587 . A 117 LEU HD13 . 34384 1 175 . 1 . 1 16 16 LEU HD21 H 1 0.973 0.005 . 2 . . 589 . A 117 LEU HD21 . 34384 1 176 . 1 . 1 16 16 LEU HD22 H 1 0.973 0.005 . 2 . . 589 . A 117 LEU HD22 . 34384 1 177 . 1 . 1 16 16 LEU HD23 H 1 0.973 0.005 . 2 . . 589 . A 117 LEU HD23 . 34384 1 178 . 1 . 1 16 16 LEU C C 13 174.999 . . 1 . . 476 . A 117 LEU C . 34384 1 179 . 1 . 1 16 16 LEU CA C 13 54.611 0.022 . 1 . . 328 . A 117 LEU CA . 34384 1 180 . 1 . 1 16 16 LEU CB C 13 45.380 0.032 . 1 . . 329 . A 117 LEU CB . 34384 1 181 . 1 . 1 16 16 LEU CG C 13 26.554 0.06 . 1 . . 592 . A 117 LEU CG . 34384 1 182 . 1 . 1 16 16 LEU CD1 C 13 26.773 0.041 . 2 . . 586 . A 117 LEU CD1 . 34384 1 183 . 1 . 1 16 16 LEU CD2 C 13 25.459 0.027 . 2 . . 588 . A 117 LEU CD2 . 34384 1 184 . 1 . 1 16 16 LEU N N 15 130.517 0.124 . 1 . . 224 . A 117 LEU N . 34384 1 185 . 1 . 1 17 17 SER H H 1 9.033 0.004 . 1 . . 57 . A 118 SER H . 34384 1 186 . 1 . 1 17 17 SER HA H 1 4.466 0.003 . 1 . . 1014 . A 118 SER HA . 34384 1 187 . 1 . 1 17 17 SER HB2 H 1 3.957 0.007 . 2 . . 1012 . A 118 SER HB2 . 34384 1 188 . 1 . 1 17 17 SER HB3 H 1 4.301 0.004 . 2 . . 1013 . A 118 SER HB3 . 34384 1 189 . 1 . 1 17 17 SER C C 13 175.595 . . 1 . . 477 . A 118 SER C . 34384 1 190 . 1 . 1 17 17 SER CA C 13 57.387 0.051 . 1 . . 330 . A 118 SER CA . 34384 1 191 . 1 . 1 17 17 SER CB C 13 65.674 0.028 . 1 . . 331 . A 118 SER CB . 34384 1 192 . 1 . 1 17 17 SER N N 15 123.117 0.049 . 1 . . 58 . A 118 SER N . 34384 1 193 . 1 . 1 18 18 GLY H H 1 10.044 0.003 . 1 . . 161 . A 119 GLY H . 34384 1 194 . 1 . 1 18 18 GLY HA2 H 1 3.386 0.007 . 2 . . 903 . A 119 GLY HA2 . 34384 1 195 . 1 . 1 18 18 GLY HA3 H 1 3.652 0.005 . 2 . . 904 . A 119 GLY HA3 . 34384 1 196 . 1 . 1 18 18 GLY C C 13 176.196 . . 1 . . 478 . A 119 GLY C . 34384 1 197 . 1 . 1 18 18 GLY CA C 13 48.060 0.019 . 1 . . 332 . A 119 GLY CA . 34384 1 198 . 1 . 1 18 18 GLY N N 15 110.665 0.036 . 1 . . 162 . A 119 GLY N . 34384 1 199 . 1 . 1 19 19 LYS H H 1 8.322 0.004 . 1 . . 187 . A 120 LYS H . 34384 1 200 . 1 . 1 19 19 LYS HA H 1 4.041 0.003 . 1 . . 1005 . A 120 LYS HA . 34384 1 201 . 1 . 1 19 19 LYS HB2 H 1 1.717 0.006 . 2 . . 1045 . A 120 LYS HB2 . 34384 1 202 . 1 . 1 19 19 LYS HB3 H 1 1.801 0.006 . 2 . . 1046 . A 120 LYS HB3 . 34384 1 203 . 1 . 1 19 19 LYS HG2 H 1 1.436 0.019 . 2 . . 1007 . A 120 LYS HG2 . 34384 1 204 . 1 . 1 19 19 LYS HG3 H 1 1.481 0.006 . 2 . . 1008 . A 120 LYS HG3 . 34384 1 205 . 1 . 1 19 19 LYS HD2 H 1 1.659 0.006 . 1 . . 1050 . A 120 LYS HD2 . 34384 1 206 . 1 . 1 19 19 LYS HD3 H 1 1.659 0.006 . 1 . . 1051 . A 120 LYS HD3 . 34384 1 207 . 1 . 1 19 19 LYS HE2 H 1 2.959 0.007 . 2 . . 1048 . A 120 LYS HE2 . 34384 1 208 . 1 . 1 19 19 LYS HE3 H 1 2.959 0.007 . 2 . . 1052 . A 120 LYS HE3 . 34384 1 209 . 1 . 1 19 19 LYS C C 13 180.129 . . 1 . . 479 . A 120 LYS C . 34384 1 210 . 1 . 1 19 19 LYS CA C 13 58.704 0.029 . 1 . . 333 . A 120 LYS CA . 34384 1 211 . 1 . 1 19 19 LYS CB C 13 32.122 0.031 . 1 . . 334 . A 120 LYS CB . 34384 1 212 . 1 . 1 19 19 LYS CG C 13 24.800 0.03 . 1 . . 1006 . A 120 LYS CG . 34384 1 213 . 1 . 1 19 19 LYS CD C 13 28.579 0.014 . 1 . . 1049 . A 120 LYS CD . 34384 1 214 . 1 . 1 19 19 LYS CE C 13 42.131 0.005 . 1 . . 1047 . A 120 LYS CE . 34384 1 215 . 1 . 1 19 19 LYS N N 15 121.232 0.032 . 1 . . 188 . A 120 LYS N . 34384 1 216 . 1 . 1 20 20 GLU H H 1 7.876 0.004 . 1 . . 111 . A 121 GLU H . 34384 1 217 . 1 . 1 20 20 GLU HA H 1 3.981 0.006 . 1 . . 930 . A 121 GLU HA . 34384 1 218 . 1 . 1 20 20 GLU HB2 H 1 1.995 0.003 . 2 . . 934 . A 121 GLU HB2 . 34384 1 219 . 1 . 1 20 20 GLU HB3 H 1 2.211 0.009 . 2 . . 1176 . A 121 GLU HB3 . 34384 1 220 . 1 . 1 20 20 GLU HG2 H 1 2.247 0.008 . 2 . . 932 . A 121 GLU HG2 . 34384 1 221 . 1 . 1 20 20 GLU HG3 H 1 2.332 0.004 . 2 . . 933 . A 121 GLU HG3 . 34384 1 222 . 1 . 1 20 20 GLU C C 13 179.820 . . 1 . . 480 . A 121 GLU C . 34384 1 223 . 1 . 1 20 20 GLU CA C 13 59.135 0.023 . 1 . . 336 . A 121 GLU CA . 34384 1 224 . 1 . 1 20 20 GLU CB C 13 29.812 0.015 . 1 . . 335 . A 121 GLU CB . 34384 1 225 . 1 . 1 20 20 GLU CG C 13 37.300 0.026 . 1 . . 931 . A 121 GLU CG . 34384 1 226 . 1 . 1 20 20 GLU N N 15 120.806 0.042 . 1 . . 112 . A 121 GLU N . 34384 1 227 . 1 . 1 21 21 ALA H H 1 8.800 0.003 . 1 . . 189 . A 122 ALA H . 34384 1 228 . 1 . 1 21 21 ALA HA H 1 3.903 0.003 . 1 . . 788 . A 122 ALA HA . 34384 1 229 . 1 . 1 21 21 ALA HB1 H 1 1.475 0.005 . 1 . . 789 . A 122 ALA HB1 . 34384 1 230 . 1 . 1 21 21 ALA HB2 H 1 1.475 0.005 . 1 . . 789 . A 122 ALA HB2 . 34384 1 231 . 1 . 1 21 21 ALA HB3 H 1 1.475 0.005 . 1 . . 789 . A 122 ALA HB3 . 34384 1 232 . 1 . 1 21 21 ALA C C 13 178.861 . . 1 . . 481 . A 122 ALA C . 34384 1 233 . 1 . 1 21 21 ALA CA C 13 55.148 0.032 . 1 . . 337 . A 122 ALA CA . 34384 1 234 . 1 . 1 21 21 ALA CB C 13 18.404 0.023 . 1 . . 338 . A 122 ALA CB . 34384 1 235 . 1 . 1 21 21 ALA N N 15 122.156 0.036 . 1 . . 190 . A 122 ALA N . 34384 1 236 . 1 . 1 22 22 GLU H H 1 8.593 0.004 . 1 . . 141 . A 123 GLU H . 34384 1 237 . 1 . 1 22 22 GLU HA H 1 3.815 0.005 . 1 . . 935 . A 123 GLU HA . 34384 1 238 . 1 . 1 22 22 GLU HB2 H 1 2.168 0.014 . 2 . . 936 . A 123 GLU HB2 . 34384 1 239 . 1 . 1 22 22 GLU HB3 H 1 2.250 0.008 . 2 . . 937 . A 123 GLU HB3 . 34384 1 240 . 1 . 1 22 22 GLU HG2 H 1 2.125 0.006 . 2 . . 939 . A 123 GLU HG2 . 34384 1 241 . 1 . 1 22 22 GLU HG3 H 1 2.594 0.008 . 2 . . 940 . A 123 GLU HG3 . 34384 1 242 . 1 . 1 22 22 GLU C C 13 178.864 . . 1 . . 482 . A 123 GLU C . 34384 1 243 . 1 . 1 22 22 GLU CA C 13 60.015 0.021 . 1 . . 339 . A 123 GLU CA . 34384 1 244 . 1 . 1 22 22 GLU CB C 13 28.819 0.026 . 1 . . 340 . A 123 GLU CB . 34384 1 245 . 1 . 1 22 22 GLU CG C 13 36.533 0.019 . 1 . . 938 . A 123 GLU CG . 34384 1 246 . 1 . 1 22 22 GLU N N 15 117.392 0.026 . 1 . . 142 . A 123 GLU N . 34384 1 247 . 1 . 1 23 23 LYS H H 1 7.896 0.008 . 1 . . 77 . A 124 LYS H . 34384 1 248 . 1 . 1 23 23 LYS HA H 1 4.026 0.009 . 1 . . 1053 . A 124 LYS HA . 34384 1 249 . 1 . 1 23 23 LYS HB2 H 1 1.901 0.009 . 2 . . 1057 . A 124 LYS HB2 . 34384 1 250 . 1 . 1 23 23 LYS HB3 H 1 1.901 0.009 . 2 . . 1064 . A 124 LYS HB3 . 34384 1 251 . 1 . 1 23 23 LYS HG2 H 1 1.475 0.005 . 2 . . 1062 . A 124 LYS HG2 . 34384 1 252 . 1 . 1 23 23 LYS HG3 H 1 1.326 0.006 . 2 . . 1063 . A 124 LYS HG3 . 34384 1 253 . 1 . 1 23 23 LYS HD2 H 1 1.681 0.003 . 2 . . 1059 . A 124 LYS HD2 . 34384 1 254 . 1 . 1 23 23 LYS HD3 H 1 1.682 0.007 . 2 . . 1060 . A 124 LYS HD3 . 34384 1 255 . 1 . 1 23 23 LYS HE2 H 1 2.988 0.003 . 2 . . 1055 . A 124 LYS HE2 . 34384 1 256 . 1 . 1 23 23 LYS HE3 H 1 2.989 0.003 . 2 . . 1056 . A 124 LYS HE3 . 34384 1 257 . 1 . 1 23 23 LYS C C 13 178.121 . . 1 . . 483 . A 124 LYS C . 34384 1 258 . 1 . 1 23 23 LYS CA C 13 60.047 0.039 . 1 . . 342 . A 124 LYS CA . 34384 1 259 . 1 . 1 23 23 LYS CB C 13 32.472 0.044 . 1 . . 341 . A 124 LYS CB . 34384 1 260 . 1 . 1 23 23 LYS CG C 13 24.718 0.035 . 1 . . 1061 . A 124 LYS CG . 34384 1 261 . 1 . 1 23 23 LYS CD C 13 29.476 0.06 . 1 . . 1058 . A 124 LYS CD . 34384 1 262 . 1 . 1 23 23 LYS CE C 13 42.118 0.01 . 1 . . 1054 . A 124 LYS CE . 34384 1 263 . 1 . 1 23 23 LYS N N 15 122.706 0.039 . 1 . . 78 . A 124 LYS N . 34384 1 264 . 1 . 1 24 24 LEU H H 1 7.870 0.005 . 1 . . 85 . A 125 LEU H . 34384 1 265 . 1 . 1 24 24 LEU HA H 1 4.084 0.007 . 1 . . 594 . A 125 LEU HA . 34384 1 266 . 1 . 1 24 24 LEU HB2 H 1 1.354 0.006 . 2 . . 597 . A 125 LEU HB2 . 34384 1 267 . 1 . 1 24 24 LEU HB3 H 1 1.655 0.006 . 2 . . 602 . A 125 LEU HB3 . 34384 1 268 . 1 . 1 24 24 LEU HG H 1 1.647 0.007 . 1 . . 601 . A 125 LEU HG . 34384 1 269 . 1 . 1 24 24 LEU HD11 H 1 0.847 0.006 . 2 . . 599 . A 125 LEU HD11 . 34384 1 270 . 1 . 1 24 24 LEU HD12 H 1 0.847 0.006 . 2 . . 599 . A 125 LEU HD12 . 34384 1 271 . 1 . 1 24 24 LEU HD13 H 1 0.847 0.006 . 2 . . 599 . A 125 LEU HD13 . 34384 1 272 . 1 . 1 24 24 LEU HD21 H 1 0.873 0.01 . 2 . . 600 . A 125 LEU HD21 . 34384 1 273 . 1 . 1 24 24 LEU HD22 H 1 0.873 0.01 . 2 . . 600 . A 125 LEU HD22 . 34384 1 274 . 1 . 1 24 24 LEU HD23 H 1 0.873 0.01 . 2 . . 600 . A 125 LEU HD23 . 34384 1 275 . 1 . 1 24 24 LEU C C 13 179.481 . . 1 . . 484 . A 125 LEU C . 34384 1 276 . 1 . 1 24 24 LEU CA C 13 58.215 0.044 . 1 . . 344 . A 125 LEU CA . 34384 1 277 . 1 . 1 24 24 LEU CB C 13 42.890 0.025 . 1 . . 343 . A 125 LEU CB . 34384 1 278 . 1 . 1 24 24 LEU CG C 13 26.922 0.021 . 1 . . 598 . A 125 LEU CG . 34384 1 279 . 1 . 1 24 24 LEU CD1 C 13 23.968 0.023 . 2 . . 595 . A 125 LEU CD1 . 34384 1 280 . 1 . 1 24 24 LEU CD2 C 13 25.405 0.031 . 2 . . 596 . A 125 LEU CD2 . 34384 1 281 . 1 . 1 24 24 LEU N N 15 119.041 0.037 . 1 . . 86 . A 125 LEU N . 34384 1 282 . 1 . 1 25 25 LEU H H 1 8.442 0.003 . 1 . . 105 . A 126 LEU H . 34384 1 283 . 1 . 1 25 25 LEU HA H 1 3.666 0.008 . 1 . . 603 . A 126 LEU HA . 34384 1 284 . 1 . 1 25 25 LEU HB2 H 1 1.014 0.007 . 2 . . 607 . A 126 LEU HB2 . 34384 1 285 . 1 . 1 25 25 LEU HB3 H 1 1.845 0.011 . 2 . . 610 . A 126 LEU HB3 . 34384 1 286 . 1 . 1 25 25 LEU HG H 1 1.520 0.01 . 1 . . 609 . A 126 LEU HG . 34384 1 287 . 1 . 1 25 25 LEU HD11 H 1 0.542 0.009 . 2 . . 604 . A 126 LEU HD11 . 34384 1 288 . 1 . 1 25 25 LEU HD12 H 1 0.542 0.009 . 2 . . 604 . A 126 LEU HD12 . 34384 1 289 . 1 . 1 25 25 LEU HD13 H 1 0.542 0.009 . 2 . . 604 . A 126 LEU HD13 . 34384 1 290 . 1 . 1 25 25 LEU HD21 H 1 0.601 0.008 . 2 . . 606 . A 126 LEU HD21 . 34384 1 291 . 1 . 1 25 25 LEU HD22 H 1 0.601 0.008 . 2 . . 606 . A 126 LEU HD22 . 34384 1 292 . 1 . 1 25 25 LEU HD23 H 1 0.601 0.008 . 2 . . 606 . A 126 LEU HD23 . 34384 1 293 . 1 . 1 25 25 LEU C C 13 179.707 . . 1 . . 485 . A 126 LEU C . 34384 1 294 . 1 . 1 25 25 LEU CA C 13 57.842 0.028 . 1 . . 346 . A 126 LEU CA . 34384 1 295 . 1 . 1 25 25 LEU CB C 13 42.558 0.02 . 1 . . 345 . A 126 LEU CB . 34384 1 296 . 1 . 1 25 25 LEU CG C 13 27.930 0.021 . 1 . . 608 . A 126 LEU CG . 34384 1 297 . 1 . 1 25 25 LEU CD1 C 13 26.518 0.039 . 2 . . 1317 . A 126 LEU CD1 . 34384 1 298 . 1 . 1 25 25 LEU CD2 C 13 23.838 0.019 . 2 . . 605 . A 126 LEU CD2 . 34384 1 299 . 1 . 1 25 25 LEU N N 15 116.488 0.03 . 1 . . 106 . A 126 LEU N . 34384 1 300 . 1 . 1 26 26 THR H H 1 8.207 0.002 . 1 . . 19 . A 127 THR H . 34384 1 301 . 1 . 1 26 26 THR HA H 1 3.829 0.008 . 1 . . 750 . A 127 THR HA . 34384 1 302 . 1 . 1 26 26 THR HB H 1 4.293 0.005 . 1 . . 752 . A 127 THR HB . 34384 1 303 . 1 . 1 26 26 THR HG1 H 1 5.211 0.011 . 1 . . 1421 . A 127 THR HG1 . 34384 1 304 . 1 . 1 26 26 THR HG21 H 1 1.192 0.005 . 1 . . 761 . A 127 THR HG21 . 34384 1 305 . 1 . 1 26 26 THR HG22 H 1 1.192 0.005 . 1 . . 761 . A 127 THR HG22 . 34384 1 306 . 1 . 1 26 26 THR HG23 H 1 1.192 0.005 . 1 . . 761 . A 127 THR HG23 . 34384 1 307 . 1 . 1 26 26 THR C C 13 175.108 . . 1 . . 486 . A 127 THR C . 34384 1 308 . 1 . 1 26 26 THR CA C 13 66.328 0.033 . 1 . . 347 . A 127 THR CA . 34384 1 309 . 1 . 1 26 26 THR CB C 13 68.794 0.042 . 1 . . 348 . A 127 THR CB . 34384 1 310 . 1 . 1 26 26 THR CG2 C 13 21.301 0.05 . 1 . . 751 . A 127 THR CG2 . 34384 1 311 . 1 . 1 26 26 THR N N 15 115.515 0.027 . 1 . . 20 . A 127 THR N . 34384 1 312 . 1 . 1 27 27 GLU H H 1 8.256 0.002 . 1 . . 231 . A 128 GLU H . 34384 1 313 . 1 . 1 27 27 GLU HA H 1 4.190 0.006 . 1 . . 941 . A 128 GLU HA . 34384 1 314 . 1 . 1 27 27 GLU HB2 H 1 2.007 0.004 . 2 . . 942 . A 128 GLU HB2 . 34384 1 315 . 1 . 1 27 27 GLU HB3 H 1 2.140 0.005 . 2 . . 943 . A 128 GLU HB3 . 34384 1 316 . 1 . 1 27 27 GLU HG2 H 1 2.230 0.004 . 2 . . 945 . A 128 GLU HG2 . 34384 1 317 . 1 . 1 27 27 GLU HG3 H 1 2.545 0.004 . 2 . . 946 . A 128 GLU HG3 . 34384 1 318 . 1 . 1 27 27 GLU C C 13 178.718 . . 1 . . 487 . A 128 GLU C . 34384 1 319 . 1 . 1 27 27 GLU CA C 13 59.080 0.03 . 1 . . 350 . A 128 GLU CA . 34384 1 320 . 1 . 1 27 27 GLU CB C 13 30.586 0.03 . 1 . . 349 . A 128 GLU CB . 34384 1 321 . 1 . 1 27 27 GLU CG C 13 36.801 0.037 . 1 . . 944 . A 128 GLU CG . 34384 1 322 . 1 . 1 27 27 GLU N N 15 119.367 0.037 . 1 . . 232 . A 128 GLU N . 34384 1 323 . 1 . 1 28 28 LYS H H 1 8.314 0.004 . 1 . . 195 . A 129 LYS H . 34384 1 324 . 1 . 1 28 28 LYS HA H 1 4.670 0.003 . 1 . . 1065 . A 129 LYS HA . 34384 1 325 . 1 . 1 28 28 LYS HB2 H 1 1.980 0.018 . 2 . . 1069 . A 129 LYS HB2 . 34384 1 326 . 1 . 1 28 28 LYS HB3 H 1 1.879 0.007 . 2 . . 1070 . A 129 LYS HB3 . 34384 1 327 . 1 . 1 28 28 LYS HG2 H 1 1.435 0.012 . 2 . . 1075 . A 129 LYS HG2 . 34384 1 328 . 1 . 1 28 28 LYS HG3 H 1 1.527 0.01 . 2 . . 1076 . A 129 LYS HG3 . 34384 1 329 . 1 . 1 28 28 LYS HD2 H 1 1.667 0.009 . 2 . . 1072 . A 129 LYS HD2 . 34384 1 330 . 1 . 1 28 28 LYS HD3 H 1 1.693 0.012 . 2 . . 1073 . A 129 LYS HD3 . 34384 1 331 . 1 . 1 28 28 LYS HE2 H 1 2.990 0.003 . 2 . . 1067 . A 129 LYS HE2 . 34384 1 332 . 1 . 1 28 28 LYS HE3 H 1 2.990 0.003 . 2 . . 1068 . A 129 LYS HE3 . 34384 1 333 . 1 . 1 28 28 LYS C C 13 177.178 . . 1 . . 488 . A 129 LYS C . 34384 1 334 . 1 . 1 28 28 LYS CA C 13 55.522 0.049 . 1 . . 352 . A 129 LYS CA . 34384 1 335 . 1 . 1 28 28 LYS CB C 13 34.369 0.017 . 1 . . 351 . A 129 LYS CB . 34384 1 336 . 1 . 1 28 28 LYS CG C 13 25.128 0.025 . 1 . . 1074 . A 129 LYS CG . 34384 1 337 . 1 . 1 28 28 LYS CD C 13 29.048 0.021 . 1 . . 1071 . A 129 LYS CD . 34384 1 338 . 1 . 1 28 28 LYS CE C 13 42.266 0.002 . 1 . . 1066 . A 129 LYS CE . 34384 1 339 . 1 . 1 28 28 LYS N N 15 113.704 0.043 . 1 . . 196 . A 129 LYS N . 34384 1 340 . 1 . 1 29 29 GLY H H 1 7.111 0.004 . 1 . . 75 . A 130 GLY H . 34384 1 341 . 1 . 1 29 29 GLY HA2 H 1 3.700 0.004 . 2 . . 905 . A 130 GLY HA2 . 34384 1 342 . 1 . 1 29 29 GLY HA3 H 1 4.369 0.005 . 2 . . 906 . A 130 GLY HA3 . 34384 1 343 . 1 . 1 29 29 GLY C C 13 170.884 . . 1 . . 489 . A 130 GLY C . 34384 1 344 . 1 . 1 29 29 GLY CA C 13 43.866 0.035 . 1 . . 353 . A 130 GLY CA . 34384 1 345 . 1 . 1 29 29 GLY N N 15 106.713 0.029 . 1 . . 76 . A 130 GLY N . 34384 1 346 . 1 . 1 30 30 LYS H H 1 8.515 0.009 . 1 . . 153 . A 131 LYS H . 34384 1 347 . 1 . 1 30 30 LYS HA H 1 4.583 0.005 . 1 . . 1077 . A 131 LYS HA . 34384 1 348 . 1 . 1 30 30 LYS HB2 H 1 2.016 0.003 . 2 . . 1078 . A 131 LYS HB2 . 34384 1 349 . 1 . 1 30 30 LYS HB3 H 1 1.698 0.007 . 2 . . 1079 . A 131 LYS HB3 . 34384 1 350 . 1 . 1 30 30 LYS HG2 H 1 1.323 0.011 . 2 . . 1081 . A 131 LYS HG2 . 34384 1 351 . 1 . 1 30 30 LYS HG3 H 1 1.352 0.01 . 2 . . 1082 . A 131 LYS HG3 . 34384 1 352 . 1 . 1 30 30 LYS HD2 H 1 1.672 0.014 . 2 . . 1084 . A 131 LYS HD2 . 34384 1 353 . 1 . 1 30 30 LYS HD3 H 1 1.670 0.014 . 2 . . 1085 . A 131 LYS HD3 . 34384 1 354 . 1 . 1 30 30 LYS HE2 H 1 2.930 0.006 . 2 . . 1087 . A 131 LYS HE2 . 34384 1 355 . 1 . 1 30 30 LYS HE3 H 1 2.930 0.006 . 2 . . 1088 . A 131 LYS HE3 . 34384 1 356 . 1 . 1 30 30 LYS C C 13 175.319 . . 1 . . 490 . A 131 LYS C . 34384 1 357 . 1 . 1 30 30 LYS CA C 13 54.064 0.011 . 1 . . 355 . A 131 LYS CA . 34384 1 358 . 1 . 1 30 30 LYS CB C 13 35.752 0.04 . 1 . . 354 . A 131 LYS CB . 34384 1 359 . 1 . 1 30 30 LYS CG C 13 24.191 0.029 . 1 . . 1080 . A 131 LYS CG . 34384 1 360 . 1 . 1 30 30 LYS CD C 13 29.186 0.012 . 1 . . 1083 . A 131 LYS CD . 34384 1 361 . 1 . 1 30 30 LYS CE C 13 42.221 0.01 . 1 . . 1086 . A 131 LYS CE . 34384 1 362 . 1 . 1 30 30 LYS N N 15 115.813 0.03 . 1 . . 154 . A 131 LYS N . 34384 1 363 . 1 . 1 31 31 HIS H H 1 9.112 0.007 . 1 . . 5 . A 132 HIS H . 34384 1 364 . 1 . 1 31 31 HIS HA H 1 4.027 0.008 . 1 . . 984 . A 132 HIS HA . 34384 1 365 . 1 . 1 31 31 HIS HB2 H 1 2.966 0.007 . 2 . . 985 . A 132 HIS HB2 . 34384 1 366 . 1 . 1 31 31 HIS HB3 H 1 3.108 0.007 . 2 . . 986 . A 132 HIS HB3 . 34384 1 367 . 1 . 1 31 31 HIS HD2 H 1 6.875 0.005 . 1 . . 1313 . A 132 HIS HD2 . 34384 1 368 . 1 . 1 31 31 HIS HE1 H 1 7.955 0.011 . 1 . . 1394 . A 132 HIS HE1 . 34384 1 369 . 1 . 1 31 31 HIS C C 13 177.652 . . 1 . . 491 . A 132 HIS C . 34384 1 370 . 1 . 1 31 31 HIS CA C 13 60.637 0.047 . 1 . . 283 . A 132 HIS CA . 34384 1 371 . 1 . 1 31 31 HIS CB C 13 30.513 0.043 . 1 . . 282 . A 132 HIS CB . 34384 1 372 . 1 . 1 31 31 HIS CD2 C 13 118.200 0.049 . 1 . . 1314 . A 132 HIS CD2 . 34384 1 373 . 1 . 1 31 31 HIS CE1 C 13 138.752 0.037 . 1 . . 1395 . A 132 HIS CE1 . 34384 1 374 . 1 . 1 31 31 HIS N N 15 121.129 0.051 . 1 . . 6 . A 132 HIS N . 34384 1 375 . 1 . 1 32 32 GLY H H 1 8.566 0.01 . 1 . . 139 . A 133 GLY H . 34384 1 376 . 1 . 1 32 32 GLY HA2 H 1 3.826 0.007 . 2 . . 907 . A 133 GLY HA2 . 34384 1 377 . 1 . 1 32 32 GLY HA3 H 1 3.882 0.005 . 2 . . 908 . A 133 GLY HA3 . 34384 1 378 . 1 . 1 32 32 GLY C C 13 175.622 . . 1 . . 492 . A 133 GLY C . 34384 1 379 . 1 . 1 32 32 GLY CA C 13 44.944 0.024 . 1 . . 356 . A 133 GLY CA . 34384 1 380 . 1 . 1 32 32 GLY N N 15 116.159 0.034 . 1 . . 140 . A 133 GLY N . 34384 1 381 . 1 . 1 33 33 SER H H 1 8.709 0.004 . 1 . . 119 . A 134 SER H . 34384 1 382 . 1 . 1 33 33 SER HA H 1 5.900 0.005 . 1 . . 1017 . A 134 SER HA . 34384 1 383 . 1 . 1 33 33 SER HB2 H 1 3.794 0.008 . 2 . . 1015 . A 134 SER HB2 . 34384 1 384 . 1 . 1 33 33 SER HB3 H 1 3.919 0.007 . 2 . . 1016 . A 134 SER HB3 . 34384 1 385 . 1 . 1 33 33 SER C C 13 172.841 . . 1 . . 493 . A 134 SER C . 34384 1 386 . 1 . 1 33 33 SER CA C 13 60.307 0.07 . 1 . . 357 . A 134 SER CA . 34384 1 387 . 1 . 1 33 33 SER CB C 13 63.407 0.037 . 1 . . 358 . A 134 SER CB . 34384 1 388 . 1 . 1 33 33 SER N N 15 120.703 0.03 . 1 . . 120 . A 134 SER N . 34384 1 389 . 1 . 1 34 34 PHE H H 1 7.611 0.007 . 1 . . 95 . A 135 PHE H . 34384 1 390 . 1 . 1 34 34 PHE HA H 1 5.936 0.009 . 1 . . 996 . A 135 PHE HA . 34384 1 391 . 1 . 1 34 34 PHE HB2 H 1 2.703 0.006 . 2 . . 997 . A 135 PHE HB2 . 34384 1 392 . 1 . 1 34 34 PHE HB3 H 1 2.871 0.007 . 2 . . 998 . A 135 PHE HB3 . 34384 1 393 . 1 . 1 34 34 PHE HD1 H 1 6.067 0.025 . 1 . . 1416 . A 135 PHE HD1 . 34384 1 394 . 1 . 1 34 34 PHE HD2 H 1 6.067 0.025 . 1 . . 1416 . A 135 PHE HD2 . 34384 1 395 . 1 . 1 34 34 PHE HE1 H 1 6.507 0.037 . 1 . . 1415 . A 135 PHE HE1 . 34384 1 396 . 1 . 1 34 34 PHE HE2 H 1 6.507 0.037 . 1 . . 1415 . A 135 PHE HE2 . 34384 1 397 . 1 . 1 34 34 PHE HZ H 1 6.761 0.008 . 1 . . 1393 . A 135 PHE HZ . 34384 1 398 . 1 . 1 34 34 PHE C C 13 171.083 . . 1 . . 494 . A 135 PHE C . 34384 1 399 . 1 . 1 34 34 PHE CA C 13 55.058 0.033 . 1 . . 359 . A 135 PHE CA . 34384 1 400 . 1 . 1 34 34 PHE CB C 13 44.256 0.02 . 1 . . 360 . A 135 PHE CB . 34384 1 401 . 1 . 1 34 34 PHE CZ C 13 129.097 0.043 . 1 . . 1414 . A 135 PHE CZ . 34384 1 402 . 1 . 1 34 34 PHE N N 15 117.017 0.027 . 1 . . 96 . A 135 PHE N . 34384 1 403 . 1 . 1 35 35 LEU H H 1 9.113 0.004 . 1 . . 215 . A 136 LEU H . 34384 1 404 . 1 . 1 35 35 LEU HA H 1 5.044 0.008 . 1 . . 611 . A 136 LEU HA . 34384 1 405 . 1 . 1 35 35 LEU HB2 H 1 1.943 0.014 . 2 . . 612 . A 136 LEU HB2 . 34384 1 406 . 1 . 1 35 35 LEU HB3 H 1 1.877 0.009 . 2 . . 613 . A 136 LEU HB3 . 34384 1 407 . 1 . 1 35 35 LEU HG H 1 1.656 0.004 . 1 . . 619 . A 136 LEU HG . 34384 1 408 . 1 . 1 35 35 LEU HD11 H 1 0.161 0.004 . 2 . . 614 . A 136 LEU HD11 . 34384 1 409 . 1 . 1 35 35 LEU HD12 H 1 0.161 0.004 . 2 . . 614 . A 136 LEU HD12 . 34384 1 410 . 1 . 1 35 35 LEU HD13 H 1 0.161 0.004 . 2 . . 614 . A 136 LEU HD13 . 34384 1 411 . 1 . 1 35 35 LEU HD21 H 1 0.610 0.007 . 2 . . 616 . A 136 LEU HD21 . 34384 1 412 . 1 . 1 35 35 LEU HD22 H 1 0.610 0.007 . 2 . . 616 . A 136 LEU HD22 . 34384 1 413 . 1 . 1 35 35 LEU HD23 H 1 0.610 0.007 . 2 . . 616 . A 136 LEU HD23 . 34384 1 414 . 1 . 1 35 35 LEU C C 13 174.536 . . 1 . . 495 . A 136 LEU C . 34384 1 415 . 1 . 1 35 35 LEU CA C 13 54.047 0.046 . 1 . . 362 . A 136 LEU CA . 34384 1 416 . 1 . 1 35 35 LEU CB C 13 44.947 0.042 . 1 . . 361 . A 136 LEU CB . 34384 1 417 . 1 . 1 35 35 LEU CG C 13 25.250 0.053 . 1 . . 617 . A 136 LEU CG . 34384 1 418 . 1 . 1 35 35 LEU CD1 C 13 27.042 0.038 . 2 . . 618 . A 136 LEU CD1 . 34384 1 419 . 1 . 1 35 35 LEU CD2 C 13 24.897 0.035 . 2 . . 615 . A 136 LEU CD2 . 34384 1 420 . 1 . 1 35 35 LEU N N 15 115.395 0.032 . 1 . . 216 . A 136 LEU N . 34384 1 421 . 1 . 1 36 36 VAL H H 1 9.371 0.011 . 1 . . 173 . A 137 VAL H . 34384 1 422 . 1 . 1 36 36 VAL HA H 1 5.900 0.009 . 1 . . 698 . A 137 VAL HA . 34384 1 423 . 1 . 1 36 36 VAL HB H 1 2.443 0.005 . 1 . . 702 . A 137 VAL HB . 34384 1 424 . 1 . 1 36 36 VAL HG11 H 1 0.943 0.004 . 2 . . 700 . A 137 VAL HG11 . 34384 1 425 . 1 . 1 36 36 VAL HG12 H 1 0.943 0.004 . 2 . . 700 . A 137 VAL HG12 . 34384 1 426 . 1 . 1 36 36 VAL HG13 H 1 0.943 0.004 . 2 . . 700 . A 137 VAL HG13 . 34384 1 427 . 1 . 1 36 36 VAL HG21 H 1 1.401 0.005 . 2 . . 701 . A 137 VAL HG21 . 34384 1 428 . 1 . 1 36 36 VAL HG22 H 1 1.401 0.005 . 2 . . 701 . A 137 VAL HG22 . 34384 1 429 . 1 . 1 36 36 VAL HG23 H 1 1.401 0.005 . 2 . . 701 . A 137 VAL HG23 . 34384 1 430 . 1 . 1 36 36 VAL C C 13 173.258 . . 1 . . 496 . A 137 VAL C . 34384 1 431 . 1 . 1 36 36 VAL CA C 13 60.344 0.039 . 1 . . 363 . A 137 VAL CA . 34384 1 432 . 1 . 1 36 36 VAL CB C 13 34.646 0.056 . 1 . . 364 . A 137 VAL CB . 34384 1 433 . 1 . 1 36 36 VAL CG1 C 13 23.367 0.028 . 2 . . 699 . A 137 VAL CG1 . 34384 1 434 . 1 . 1 36 36 VAL CG2 C 13 22.648 0.034 . 2 . . 703 . A 137 VAL CG2 . 34384 1 435 . 1 . 1 36 36 VAL N N 15 120.019 0.028 . 1 . . 174 . A 137 VAL N . 34384 1 436 . 1 . 1 37 37 ARG H H 1 9.569 0.006 . 1 . . 15 . A 138 ARG H . 34384 1 437 . 1 . 1 37 37 ARG HA H 1 5.091 0.004 . 1 . . 816 . A 138 ARG HA . 34384 1 438 . 1 . 1 37 37 ARG HB2 H 1 1.341 0.005 . 2 . . 823 . A 138 ARG HB2 . 34384 1 439 . 1 . 1 37 37 ARG HB3 H 1 2.339 0.005 . 2 . . 824 . A 138 ARG HB3 . 34384 1 440 . 1 . 1 37 37 ARG HG2 H 1 1.638 0.009 . 2 . . 821 . A 138 ARG HG2 . 34384 1 441 . 1 . 1 37 37 ARG HG3 H 1 1.544 0.006 . 2 . . 822 . A 138 ARG HG3 . 34384 1 442 . 1 . 1 37 37 ARG HD2 H 1 3.573 0.005 . 2 . . 818 . A 138 ARG HD2 . 34384 1 443 . 1 . 1 37 37 ARG HD3 H 1 2.472 0.006 . 2 . . 819 . A 138 ARG HD3 . 34384 1 444 . 1 . 1 37 37 ARG HE H 1 6.196 0.01 . 1 . . 1401 . A 138 ARG HE . 34384 1 445 . 1 . 1 37 37 ARG C C 13 174.625 . . 1 . . 497 . A 138 ARG C . 34384 1 446 . 1 . 1 37 37 ARG CA C 13 52.918 0.045 . 1 . . 315 . A 138 ARG CA . 34384 1 447 . 1 . 1 37 37 ARG CB C 13 34.512 0.034 . 1 . . 314 . A 138 ARG CB . 34384 1 448 . 1 . 1 37 37 ARG CG C 13 26.198 0.024 . 1 . . 820 . A 138 ARG CG . 34384 1 449 . 1 . 1 37 37 ARG CD C 13 43.301 0.026 . 1 . . 817 . A 138 ARG CD . 34384 1 450 . 1 . 1 37 37 ARG N N 15 123.821 0.052 . 1 . . 16 . A 138 ARG N . 34384 1 451 . 1 . 1 37 37 ARG NE N 15 81.529 0.022 . 1 . . 1402 . A 138 ARG NE . 34384 1 452 . 1 . 1 38 38 GLU H H 1 8.731 0.007 . 1 . . 233 . A 139 GLU H . 34384 1 453 . 1 . 1 38 38 GLU HA H 1 4.406 0.009 . 1 . . 947 . A 139 GLU HA . 34384 1 454 . 1 . 1 38 38 GLU HB2 H 1 1.931 0.013 . 2 . . 948 . A 139 GLU HB2 . 34384 1 455 . 1 . 1 38 38 GLU HB3 H 1 2.111 0.007 . 2 . . 949 . A 139 GLU HB3 . 34384 1 456 . 1 . 1 38 38 GLU HG2 H 1 2.332 0.006 . 2 . . 951 . A 139 GLU HG2 . 34384 1 457 . 1 . 1 38 38 GLU HG3 H 1 2.675 0.008 . 2 . . 952 . A 139 GLU HG3 . 34384 1 458 . 1 . 1 38 38 GLU C C 13 176.822 . . 1 . . 498 . A 139 GLU C . 34384 1 459 . 1 . 1 38 38 GLU CA C 13 57.246 0.039 . 1 . . 316 . A 139 GLU CA . 34384 1 460 . 1 . 1 38 38 GLU CB C 13 30.710 0.043 . 1 . . 317 . A 139 GLU CB . 34384 1 461 . 1 . 1 38 38 GLU CG C 13 37.017 0.024 . 1 . . 950 . A 139 GLU CG . 34384 1 462 . 1 . 1 38 38 GLU N N 15 120.388 0.042 . 1 . . 234 . A 139 GLU N . 34384 1 463 . 1 . 1 39 39 SER H H 1 7.781 0.003 . 1 . . 219 . A 140 SER H . 34384 1 464 . 1 . 1 39 39 SER HA H 1 4.476 0.004 . 1 . . 1018 . A 140 SER HA . 34384 1 465 . 1 . 1 39 39 SER HB2 H 1 3.431 0.009 . 2 . . 1019 . A 140 SER HB2 . 34384 1 466 . 1 . 1 39 39 SER HB3 H 1 3.656 0.004 . 2 . . 1020 . A 140 SER HB3 . 34384 1 467 . 1 . 1 39 39 SER C C 13 176.388 . . 1 . . 499 . A 140 SER C . 34384 1 468 . 1 . 1 39 39 SER CA C 13 57.590 0.048 . 1 . . 319 . A 140 SER CA . 34384 1 469 . 1 . 1 39 39 SER CB C 13 63.243 0.032 . 1 . . 318 . A 140 SER CB . 34384 1 470 . 1 . 1 39 39 SER N N 15 115.355 0.039 . 1 . . 220 . A 140 SER N . 34384 1 471 . 1 . 1 40 40 GLN H H 1 10.221 0.009 . 1 . . 171 . A 141 GLN H . 34384 1 472 . 1 . 1 40 40 GLN HA H 1 4.268 0.006 . 1 . . 885 . A 141 GLN HA . 34384 1 473 . 1 . 1 40 40 GLN HB2 H 1 2.171 0.007 . 2 . . 886 . A 141 GLN HB2 . 34384 1 474 . 1 . 1 40 40 GLN HB3 H 1 2.171 0.006 . 2 . . 1173 . A 141 GLN HB3 . 34384 1 475 . 1 . 1 40 40 GLN HG2 H 1 2.251 0.004 . 2 . . 888 . A 141 GLN HG2 . 34384 1 476 . 1 . 1 40 40 GLN HG3 H 1 2.488 0.004 . 2 . . 889 . A 141 GLN HG3 . 34384 1 477 . 1 . 1 40 40 GLN HE21 H 1 6.930 0.005 . 1 . . 1224 . A 141 GLN HE21 . 34384 1 478 . 1 . 1 40 40 GLN HE22 H 1 7.185 0.003 . 1 . . 1225 . A 141 GLN HE22 . 34384 1 479 . 1 . 1 40 40 GLN C C 13 177.525 . . 1 . . 500 . A 141 GLN C . 34384 1 480 . 1 . 1 40 40 GLN CA C 13 57.438 0.05 . 1 . . 320 . A 141 GLN CA . 34384 1 481 . 1 . 1 40 40 GLN CB C 13 28.679 0.011 . 1 . . 321 . A 141 GLN CB . 34384 1 482 . 1 . 1 40 40 GLN CG C 13 35.092 0.025 . 1 . . 887 . A 141 GLN CG . 34384 1 483 . 1 . 1 40 40 GLN N N 15 128.797 0.029 . 1 . . 172 . A 141 GLN N . 34384 1 484 . 1 . 1 40 40 GLN NE2 N 15 111.491 0.018 . 1 . . 1223 . A 141 GLN NE2 . 34384 1 485 . 1 . 1 41 41 SER H H 1 9.706 0.006 . 1 . . 127 . A 142 SER H . 34384 1 486 . 1 . 1 41 41 SER HA H 1 4.321 0.005 . 1 . . 1021 . A 142 SER HA . 34384 1 487 . 1 . 1 41 41 SER HB2 H 1 3.930 0.002 . 2 . . 1022 . A 142 SER HB2 . 34384 1 488 . 1 . 1 41 41 SER HB3 H 1 4.095 0.007 . 2 . . 1023 . A 142 SER HB3 . 34384 1 489 . 1 . 1 41 41 SER C C 13 175.296 . . 1 . . 501 . A 142 SER C . 34384 1 490 . 1 . 1 41 41 SER CA C 13 60.536 0.025 . 1 . . 322 . A 142 SER CA . 34384 1 491 . 1 . 1 41 41 SER CB C 13 64.151 0.011 . 1 . . 323 . A 142 SER CB . 34384 1 492 . 1 . 1 41 41 SER N N 15 117.468 0.052 . 1 . . 128 . A 142 SER N . 34384 1 493 . 1 . 1 42 42 HIS H H 1 8.360 0.004 . 1 . . 83 . A 143 HIS H . 34384 1 494 . 1 . 1 42 42 HIS HA H 1 4.830 0.003 . 1 . . 1183 . A 143 HIS HA . 34384 1 495 . 1 . 1 42 42 HIS HB2 H 1 3.090 0.005 . 2 . . 1184 . A 143 HIS HB2 . 34384 1 496 . 1 . 1 42 42 HIS HB3 H 1 3.349 0.006 . 2 . . 1185 . A 143 HIS HB3 . 34384 1 497 . 1 . 1 42 42 HIS HD2 H 1 7.194 0.003 . 1 . . 1312 . A 143 HIS HD2 . 34384 1 498 . 1 . 1 42 42 HIS CA C 13 52.910 0.031 . 1 . . 324 . A 143 HIS CA . 34384 1 499 . 1 . 1 42 42 HIS CB C 13 28.869 0.026 . 1 . . 325 . A 143 HIS CB . 34384 1 500 . 1 . 1 42 42 HIS CD2 C 13 119.608 0.065 . 1 . . 1311 . A 143 HIS CD2 . 34384 1 501 . 1 . 1 42 42 HIS N N 15 124.703 0.049 . 1 . . 84 . A 143 HIS N . 34384 1 502 . 1 . 1 43 43 PRO HA H 1 4.323 0.003 . 1 . . 1244 . A 144 PRO HA . 34384 1 503 . 1 . 1 43 43 PRO HB2 H 1 1.865 0.006 . 2 . . 1245 . A 144 PRO HB2 . 34384 1 504 . 1 . 1 43 43 PRO HB3 H 1 2.301 0.002 . 2 . . 1246 . A 144 PRO HB3 . 34384 1 505 . 1 . 1 43 43 PRO HG2 H 1 1.896 0.005 . 2 . . 1251 . A 144 PRO HG2 . 34384 1 506 . 1 . 1 43 43 PRO HG3 H 1 2.076 0.002 . 2 . . 1252 . A 144 PRO HG3 . 34384 1 507 . 1 . 1 43 43 PRO HD2 H 1 3.344 0.005 . 2 . . 1248 . A 144 PRO HD2 . 34384 1 508 . 1 . 1 43 43 PRO HD3 H 1 3.485 0.003 . 2 . . 1249 . A 144 PRO HD3 . 34384 1 509 . 1 . 1 43 43 PRO C C 13 177.840 . . 1 . . 502 . A 144 PRO C . 34384 1 510 . 1 . 1 43 43 PRO CA C 13 64.308 0.036 . 1 . . 462 . A 144 PRO CA . 34384 1 511 . 1 . 1 43 43 PRO CB C 13 31.446 0.029 . 1 . . 463 . A 144 PRO CB . 34384 1 512 . 1 . 1 43 43 PRO CG C 13 27.684 0.033 . 1 . . 1250 . A 144 PRO CG . 34384 1 513 . 1 . 1 43 43 PRO CD C 13 50.096 0.018 . 1 . . 1247 . A 144 PRO CD . 34384 1 514 . 1 . 1 44 44 GLY H H 1 8.851 0.003 . 1 . . 123 . A 145 GLY H . 34384 1 515 . 1 . 1 44 44 GLY HA2 H 1 3.481 0.005 . 2 . . 909 . A 145 GLY HA2 . 34384 1 516 . 1 . 1 44 44 GLY HA3 H 1 4.442 0.003 . 2 . . 910 . A 145 GLY HA3 . 34384 1 517 . 1 . 1 44 44 GLY C C 13 173.108 . . 1 . . 503 . A 145 GLY C . 34384 1 518 . 1 . 1 44 44 GLY CA C 13 45.200 0.029 . 1 . . 461 . A 145 GLY CA . 34384 1 519 . 1 . 1 44 44 GLY N N 15 116.191 0.043 . 1 . . 124 . A 145 GLY N . 34384 1 520 . 1 . 1 45 45 ASP H H 1 7.976 0.004 . 1 . . 25 . A 146 ASP H . 34384 1 521 . 1 . 1 45 45 ASP HA H 1 5.310 0.004 . 1 . . 861 . A 146 ASP HA . 34384 1 522 . 1 . 1 45 45 ASP HB2 H 1 3.116 0.009 . 2 . . 862 . A 146 ASP HB2 . 34384 1 523 . 1 . 1 45 45 ASP HB3 H 1 2.970 0.006 . 2 . . 863 . A 146 ASP HB3 . 34384 1 524 . 1 . 1 45 45 ASP C C 13 176.505 . . 1 . . 504 . A 146 ASP C . 34384 1 525 . 1 . 1 45 45 ASP CA C 13 53.409 0.022 . 1 . . 406 . A 146 ASP CA . 34384 1 526 . 1 . 1 45 45 ASP CB C 13 41.941 0.041 . 1 . . 405 . A 146 ASP CB . 34384 1 527 . 1 . 1 45 45 ASP N N 15 118.903 0.057 . 1 . . 26 . A 146 ASP N . 34384 1 528 . 1 . 1 46 46 PHE H H 1 9.165 0.006 . 1 . . 43 . A 147 PHE H . 34384 1 529 . 1 . 1 46 46 PHE HA H 1 5.364 0.006 . 1 . . 999 . A 147 PHE HA . 34384 1 530 . 1 . 1 46 46 PHE HB2 H 1 2.772 0.005 . 2 . . 1000 . A 147 PHE HB2 . 34384 1 531 . 1 . 1 46 46 PHE HB3 H 1 3.367 0.009 . 2 . . 1001 . A 147 PHE HB3 . 34384 1 532 . 1 . 1 46 46 PHE HD1 H 1 7.287 0.005 . 1 . . 1295 . A 147 PHE HD1 . 34384 1 533 . 1 . 1 46 46 PHE HD2 H 1 7.287 0.005 . 1 . . 1295 . A 147 PHE HD2 . 34384 1 534 . 1 . 1 46 46 PHE HE1 H 1 7.688 0.007 . 1 . . 1297 . A 147 PHE HE1 . 34384 1 535 . 1 . 1 46 46 PHE HE2 H 1 7.688 0.007 . 1 . . 1297 . A 147 PHE HE2 . 34384 1 536 . 1 . 1 46 46 PHE HZ H 1 7.508 0.002 . 1 . . 1299 . A 147 PHE HZ . 34384 1 537 . 1 . 1 46 46 PHE C C 13 173.090 . . 1 . . 505 . A 147 PHE C . 34384 1 538 . 1 . 1 46 46 PHE CA C 13 57.109 0.032 . 1 . . 403 . A 147 PHE CA . 34384 1 539 . 1 . 1 46 46 PHE CB C 13 43.672 0.031 . 1 . . 404 . A 147 PHE CB . 34384 1 540 . 1 . 1 46 46 PHE CD1 C 13 131.067 0.07 . 1 . . 1296 . A 147 PHE CD1 . 34384 1 541 . 1 . 1 46 46 PHE CD2 C 13 131.067 0.07 . 1 . . 1296 . A 147 PHE CD2 . 34384 1 542 . 1 . 1 46 46 PHE CE1 C 13 132.065 0.054 . 1 . . 1298 . A 147 PHE CE1 . 34384 1 543 . 1 . 1 46 46 PHE CE2 C 13 132.065 0.054 . 1 . . 1298 . A 147 PHE CE2 . 34384 1 544 . 1 . 1 46 46 PHE CZ C 13 130.406 0.04 . 1 . . 1300 . A 147 PHE CZ . 34384 1 545 . 1 . 1 46 46 PHE N N 15 118.060 0.015 . 1 . . 44 . A 147 PHE N . 34384 1 546 . 1 . 1 47 47 VAL H H 1 9.581 0.005 . 1 . . 91 . A 148 VAL H . 34384 1 547 . 1 . 1 47 47 VAL HA H 1 5.003 0.006 . 1 . . 704 . A 148 VAL HA . 34384 1 548 . 1 . 1 47 47 VAL HB H 1 1.885 0.008 . 1 . . 709 . A 148 VAL HB . 34384 1 549 . 1 . 1 47 47 VAL HG11 H 1 1.123 0.006 . 2 . . 706 . A 148 VAL HG11 . 34384 1 550 . 1 . 1 47 47 VAL HG12 H 1 1.123 0.006 . 2 . . 706 . A 148 VAL HG12 . 34384 1 551 . 1 . 1 47 47 VAL HG13 H 1 1.123 0.006 . 2 . . 706 . A 148 VAL HG13 . 34384 1 552 . 1 . 1 47 47 VAL HG21 H 1 1.275 0.004 . 2 . . 708 . A 148 VAL HG21 . 34384 1 553 . 1 . 1 47 47 VAL HG22 H 1 1.275 0.004 . 2 . . 708 . A 148 VAL HG22 . 34384 1 554 . 1 . 1 47 47 VAL HG23 H 1 1.275 0.004 . 2 . . 708 . A 148 VAL HG23 . 34384 1 555 . 1 . 1 47 47 VAL C C 13 174.748 . . 1 . . 506 . A 148 VAL C . 34384 1 556 . 1 . 1 47 47 VAL CA C 13 61.257 0.036 . 1 . . 402 . A 148 VAL CA . 34384 1 557 . 1 . 1 47 47 VAL CB C 13 37.548 0.057 . 1 . . 401 . A 148 VAL CB . 34384 1 558 . 1 . 1 47 47 VAL CG1 C 13 21.521 0.037 . 2 . . 705 . A 148 VAL CG1 . 34384 1 559 . 1 . 1 47 47 VAL CG2 C 13 22.673 0.02 . 2 . . 707 . A 148 VAL CG2 . 34384 1 560 . 1 . 1 47 47 VAL N N 15 117.989 0.026 . 1 . . 92 . A 148 VAL N . 34384 1 561 . 1 . 1 48 48 LEU H H 1 9.465 0.012 . 1 . . 143 . A 149 LEU H . 34384 1 562 . 1 . 1 48 48 LEU HA H 1 5.156 0.003 . 1 . . 620 . A 149 LEU HA . 34384 1 563 . 1 . 1 48 48 LEU HB2 H 1 1.330 0.01 . 2 . . 623 . A 149 LEU HB2 . 34384 1 564 . 1 . 1 48 48 LEU HB3 H 1 1.771 0.004 . 2 . . 624 . A 149 LEU HB3 . 34384 1 565 . 1 . 1 48 48 LEU HG H 1 1.399 0.008 . 1 . . 626 . A 149 LEU HG . 34384 1 566 . 1 . 1 48 48 LEU HD11 H 1 0.585 0.007 . 2 . . 627 . A 149 LEU HD11 . 34384 1 567 . 1 . 1 48 48 LEU HD12 H 1 0.585 0.007 . 2 . . 627 . A 149 LEU HD12 . 34384 1 568 . 1 . 1 48 48 LEU HD13 H 1 0.585 0.007 . 2 . . 627 . A 149 LEU HD13 . 34384 1 569 . 1 . 1 48 48 LEU HD21 H 1 0.548 0.01 . 2 . . 628 . A 149 LEU HD21 . 34384 1 570 . 1 . 1 48 48 LEU HD22 H 1 0.548 0.01 . 2 . . 628 . A 149 LEU HD22 . 34384 1 571 . 1 . 1 48 48 LEU HD23 H 1 0.548 0.01 . 2 . . 628 . A 149 LEU HD23 . 34384 1 572 . 1 . 1 48 48 LEU C C 13 174.902 . . 1 . . 507 . A 149 LEU C . 34384 1 573 . 1 . 1 48 48 LEU CA C 13 53.540 0.031 . 1 . . 399 . A 149 LEU CA . 34384 1 574 . 1 . 1 48 48 LEU CB C 13 44.874 0.024 . 1 . . 400 . A 149 LEU CB . 34384 1 575 . 1 . 1 48 48 LEU CG C 13 27.529 0.037 . 1 . . 625 . A 149 LEU CG . 34384 1 576 . 1 . 1 48 48 LEU CD1 C 13 24.567 0.027 . 2 . . 622 . A 149 LEU CD1 . 34384 1 577 . 1 . 1 48 48 LEU CD2 C 13 26.081 0.047 . 2 . . 621 . A 149 LEU CD2 . 34384 1 578 . 1 . 1 48 48 LEU N N 15 129.209 0.072 . 1 . . 144 . A 149 LEU N . 34384 1 579 . 1 . 1 49 49 SER H H 1 9.188 0.007 . 1 . . 73 . A 150 SER H . 34384 1 580 . 1 . 1 49 49 SER HA H 1 5.355 0.007 . 1 . . 1024 . A 150 SER HA . 34384 1 581 . 1 . 1 49 49 SER HB2 H 1 3.339 0.013 . 2 . . 1025 . A 150 SER HB2 . 34384 1 582 . 1 . 1 49 49 SER HB3 H 1 3.364 0.014 . 2 . . 1026 . A 150 SER HB3 . 34384 1 583 . 1 . 1 49 49 SER C C 13 172.704 . . 1 . . 508 . A 150 SER C . 34384 1 584 . 1 . 1 49 49 SER CA C 13 59.078 0.029 . 1 . . 398 . A 150 SER CA . 34384 1 585 . 1 . 1 49 49 SER CB C 13 64.766 0.018 . 1 . . 397 . A 150 SER CB . 34384 1 586 . 1 . 1 49 49 SER N N 15 125.778 0.063 . 1 . . 74 . A 150 SER N . 34384 1 587 . 1 . 1 50 50 VAL H H 1 8.941 0.008 . 1 . . 71 . A 151 VAL H . 34384 1 588 . 1 . 1 50 50 VAL HA H 1 4.939 0.006 . 1 . . 710 . A 151 VAL HA . 34384 1 589 . 1 . 1 50 50 VAL HB H 1 1.685 0.007 . 1 . . 715 . A 151 VAL HB . 34384 1 590 . 1 . 1 50 50 VAL HG11 H 1 0.698 0.006 . 2 . . 712 . A 151 VAL HG11 . 34384 1 591 . 1 . 1 50 50 VAL HG12 H 1 0.698 0.006 . 2 . . 712 . A 151 VAL HG12 . 34384 1 592 . 1 . 1 50 50 VAL HG13 H 1 0.698 0.006 . 2 . . 712 . A 151 VAL HG13 . 34384 1 593 . 1 . 1 50 50 VAL HG21 H 1 0.692 0.006 . 2 . . 714 . A 151 VAL HG21 . 34384 1 594 . 1 . 1 50 50 VAL HG22 H 1 0.692 0.006 . 2 . . 714 . A 151 VAL HG22 . 34384 1 595 . 1 . 1 50 50 VAL HG23 H 1 0.692 0.006 . 2 . . 714 . A 151 VAL HG23 . 34384 1 596 . 1 . 1 50 50 VAL C C 13 174.399 . . 1 . . 509 . A 151 VAL C . 34384 1 597 . 1 . 1 50 50 VAL CA C 13 59.724 0.024 . 1 . . 396 . A 151 VAL CA . 34384 1 598 . 1 . 1 50 50 VAL CB C 13 36.079 0.031 . 1 . . 395 . A 151 VAL CB . 34384 1 599 . 1 . 1 50 50 VAL CG1 C 13 21.613 0.032 . 2 . . 711 . A 151 VAL CG1 . 34384 1 600 . 1 . 1 50 50 VAL CG2 C 13 20.650 0.018 . 2 . . 713 . A 151 VAL CG2 . 34384 1 601 . 1 . 1 50 50 VAL N N 15 122.761 0.031 . 1 . . 72 . A 151 VAL N . 34384 1 602 . 1 . 1 51 51 ARG H H 1 9.106 0.005 . 1 . . 177 . A 152 ARG H . 34384 1 603 . 1 . 1 51 51 ARG HA H 1 5.112 0.004 . 1 . . 825 . A 152 ARG HA . 34384 1 604 . 1 . 1 51 51 ARG HB2 H 1 1.440 0.004 . 2 . . 828 . A 152 ARG HB2 . 34384 1 605 . 1 . 1 51 51 ARG HB3 H 1 2.186 0.008 . 2 . . 833 . A 152 ARG HB3 . 34384 1 606 . 1 . 1 51 51 ARG HG2 H 1 1.435 0.006 . 2 . . 827 . A 152 ARG HG2 . 34384 1 607 . 1 . 1 51 51 ARG HG3 H 1 1.604 0.006 . 2 . . 829 . A 152 ARG HG3 . 34384 1 608 . 1 . 1 51 51 ARG HD2 H 1 2.618 0.013 . 2 . . 830 . A 152 ARG HD2 . 34384 1 609 . 1 . 1 51 51 ARG HD3 H 1 2.889 0.005 . 2 . . 832 . A 152 ARG HD3 . 34384 1 610 . 1 . 1 51 51 ARG HE H 1 7.217 0.005 . 1 . . 1404 . A 152 ARG HE . 34384 1 611 . 1 . 1 51 51 ARG C C 13 175.186 . . 1 . . 510 . A 152 ARG C . 34384 1 612 . 1 . 1 51 51 ARG CA C 13 54.986 0.027 . 1 . . 393 . A 152 ARG CA . 34384 1 613 . 1 . 1 51 51 ARG CB C 13 31.752 0.042 . 1 . . 394 . A 152 ARG CB . 34384 1 614 . 1 . 1 51 51 ARG CG C 13 27.872 0.044 . 1 . . 826 . A 152 ARG CG . 34384 1 615 . 1 . 1 51 51 ARG CD C 13 43.455 0.017 . 1 . . 831 . A 152 ARG CD . 34384 1 616 . 1 . 1 51 51 ARG N N 15 128.822 0.034 . 1 . . 178 . A 152 ARG N . 34384 1 617 . 1 . 1 51 51 ARG NE N 15 84.314 0.015 . 1 . . 1405 . A 152 ARG NE . 34384 1 618 . 1 . 1 52 52 THR H H 1 8.884 0.007 . 1 . . 199 . A 153 THR H . 34384 1 619 . 1 . 1 52 52 THR HA H 1 4.767 0.003 . 1 . . 756 . A 153 THR HA . 34384 1 620 . 1 . 1 52 52 THR HB H 1 4.261 0.005 . 1 . . 755 . A 153 THR HB . 34384 1 621 . 1 . 1 52 52 THR HG21 H 1 1.194 0.004 . 1 . . 754 . A 153 THR HG21 . 34384 1 622 . 1 . 1 52 52 THR HG22 H 1 1.194 0.004 . 1 . . 754 . A 153 THR HG22 . 34384 1 623 . 1 . 1 52 52 THR HG23 H 1 1.194 0.004 . 1 . . 754 . A 153 THR HG23 . 34384 1 624 . 1 . 1 52 52 THR C C 13 174.694 . . 1 . . 511 . A 153 THR C . 34384 1 625 . 1 . 1 52 52 THR CA C 13 60.979 0.062 . 1 . . 392 . A 153 THR CA . 34384 1 626 . 1 . 1 52 52 THR CB C 13 70.540 0.05 . 1 . . 391 . A 153 THR CB . 34384 1 627 . 1 . 1 52 52 THR CG2 C 13 22.185 0.042 . 1 . . 753 . A 153 THR CG2 . 34384 1 628 . 1 . 1 52 52 THR N N 15 122.072 0.031 . 1 . . 200 . A 153 THR N . 34384 1 629 . 1 . 1 53 53 GLY H H 1 9.915 0.018 . 1 . . 213 . A 154 GLY H . 34384 1 630 . 1 . 1 53 53 GLY HA2 H 1 4.005 0.01 . 2 . . 911 . A 154 GLY HA2 . 34384 1 631 . 1 . 1 53 53 GLY HA3 H 1 4.158 0.006 . 2 . . 912 . A 154 GLY HA3 . 34384 1 632 . 1 . 1 53 53 GLY C C 13 173.131 . . 1 . . 512 . A 154 GLY C . 34384 1 633 . 1 . 1 53 53 GLY CA C 13 45.139 0.031 . 1 . . 390 . A 154 GLY CA . 34384 1 634 . 1 . 1 53 53 GLY N N 15 112.673 0.082 . 1 . . 214 . A 154 GLY N . 34384 1 635 . 1 . 1 54 54 ASP H H 1 8.409 0.002 . 1 . . 101 . A 155 ASP H . 34384 1 636 . 1 . 1 54 54 ASP HA H 1 4.641 0.004 . 1 . . 864 . A 155 ASP HA . 34384 1 637 . 1 . 1 54 54 ASP HB2 H 1 2.610 0.006 . 2 . . 865 . A 155 ASP HB2 . 34384 1 638 . 1 . 1 54 54 ASP HB3 H 1 2.690 0.006 . 2 . . 866 . A 155 ASP HB3 . 34384 1 639 . 1 . 1 54 54 ASP C C 13 176.107 . . 1 . . 513 . A 155 ASP C . 34384 1 640 . 1 . 1 54 54 ASP CA C 13 53.980 0.044 . 1 . . 389 . A 155 ASP CA . 34384 1 641 . 1 . 1 54 54 ASP CB C 13 42.318 0.018 . 1 . . 388 . A 155 ASP CB . 34384 1 642 . 1 . 1 54 54 ASP N N 15 120.996 0.04 . 1 . . 102 . A 155 ASP N . 34384 1 643 . 1 . 1 55 55 ASP H H 1 8.555 0.003 . 1 . . 61 . A 156 ASP H . 34384 1 644 . 1 . 1 55 55 ASP HA H 1 4.554 0.006 . 1 . . 867 . A 156 ASP HA . 34384 1 645 . 1 . 1 55 55 ASP HB2 H 1 2.636 0.01 . 2 . . 868 . A 156 ASP HB2 . 34384 1 646 . 1 . 1 55 55 ASP HB3 H 1 2.678 0.008 . 2 . . 869 . A 156 ASP HB3 . 34384 1 647 . 1 . 1 55 55 ASP C C 13 176.501 . . 1 . . 514 . A 156 ASP C . 34384 1 648 . 1 . 1 55 55 ASP CA C 13 54.971 0.022 . 1 . . 387 . A 156 ASP CA . 34384 1 649 . 1 . 1 55 55 ASP CB C 13 41.051 0.012 . 1 . . 386 . A 156 ASP CB . 34384 1 650 . 1 . 1 55 55 ASP N N 15 120.828 0.035 . 1 . . 62 . A 156 ASP N . 34384 1 651 . 1 . 1 56 56 LYS H H 1 8.353 0.002 . 1 . . 67 . A 157 LYS H . 34384 1 652 . 1 . 1 56 56 LYS HA H 1 4.330 0.002 . 1 . . 1089 . A 157 LYS HA . 34384 1 653 . 1 . 1 56 56 LYS HB2 H 1 1.794 0.002 . 2 . . 1093 . A 157 LYS HB2 . 34384 1 654 . 1 . 1 56 56 LYS HB3 H 1 1.894 0.002 . 2 . . 1094 . A 157 LYS HB3 . 34384 1 655 . 1 . 1 56 56 LYS HG2 H 1 1.387 0.013 . 2 . . 1096 . A 157 LYS HG2 . 34384 1 656 . 1 . 1 56 56 LYS HG3 H 1 1.439 0.005 . 2 . . 1097 . A 157 LYS HG3 . 34384 1 657 . 1 . 1 56 56 LYS HD2 H 1 1.671 0.006 . 2 . . 1099 . A 157 LYS HD2 . 34384 1 658 . 1 . 1 56 56 LYS HD3 H 1 1.672 0.005 . 2 . . 1100 . A 157 LYS HD3 . 34384 1 659 . 1 . 1 56 56 LYS HE2 H 1 2.996 0.002 . 2 . . 1091 . A 157 LYS HE2 . 34384 1 660 . 1 . 1 56 56 LYS HE3 H 1 2.996 0.002 . 2 . . 1092 . A 157 LYS HE3 . 34384 1 661 . 1 . 1 56 56 LYS C C 13 177.144 . . 1 . . 515 . A 157 LYS C . 34384 1 662 . 1 . 1 56 56 LYS CA C 13 56.319 0.039 . 1 . . 385 . A 157 LYS CA . 34384 1 663 . 1 . 1 56 56 LYS CB C 13 32.687 0.044 . 1 . . 384 . A 157 LYS CB . 34384 1 664 . 1 . 1 56 56 LYS CG C 13 24.809 0.01 . 1 . . 1095 . A 157 LYS CG . 34384 1 665 . 1 . 1 56 56 LYS CD C 13 29.004 0.006 . 1 . . 1098 . A 157 LYS CD . 34384 1 666 . 1 . 1 56 56 LYS CE C 13 42.152 0.005 . 1 . . 1090 . A 157 LYS CE . 34384 1 667 . 1 . 1 56 56 LYS N N 15 120.269 0.039 . 1 . . 68 . A 157 LYS N . 34384 1 668 . 1 . 1 57 57 GLY H H 1 8.279 0.005 . 1 . . 157 . A 158 GLY H . 34384 1 669 . 1 . 1 57 57 GLY HA2 H 1 3.926 0.012 . 2 . . 913 . A 158 GLY HA2 . 34384 1 670 . 1 . 1 57 57 GLY HA3 H 1 3.975 0.008 . 2 . . 914 . A 158 GLY HA3 . 34384 1 671 . 1 . 1 57 57 GLY C C 13 174.415 . . 1 . . 516 . A 158 GLY C . 34384 1 672 . 1 . 1 57 57 GLY CA C 13 45.594 0.013 . 1 . . 383 . A 158 GLY CA . 34384 1 673 . 1 . 1 57 57 GLY N N 15 109.331 0.035 . 1 . . 158 . A 158 GLY N . 34384 1 674 . 1 . 1 58 58 GLU H H 1 8.477 0.005 . 1 . . 97 . A 159 GLU H . 34384 1 675 . 1 . 1 58 58 GLU HA H 1 4.304 0.005 . 1 . . 953 . A 159 GLU HA . 34384 1 676 . 1 . 1 58 58 GLU HB2 H 1 1.942 0.004 . 2 . . 954 . A 159 GLU HB2 . 34384 1 677 . 1 . 1 58 58 GLU HB3 H 1 2.090 0.003 . 2 . . 955 . A 159 GLU HB3 . 34384 1 678 . 1 . 1 58 58 GLU HG2 H 1 2.246 0.007 . 2 . . 957 . A 159 GLU HG2 . 34384 1 679 . 1 . 1 58 58 GLU HG3 H 1 2.266 0.0 . 2 . . 958 . A 159 GLU HG3 . 34384 1 680 . 1 . 1 58 58 GLU C C 13 176.831 . . 1 . . 517 . A 159 GLU C . 34384 1 681 . 1 . 1 58 58 GLU CA C 13 56.873 0.029 . 1 . . 382 . A 159 GLU CA . 34384 1 682 . 1 . 1 58 58 GLU CB C 13 30.216 0.024 . 1 . . 381 . A 159 GLU CB . 34384 1 683 . 1 . 1 58 58 GLU CG C 13 36.325 0.022 . 1 . . 956 . A 159 GLU CG . 34384 1 684 . 1 . 1 58 58 GLU N N 15 120.701 0.047 . 1 . . 98 . A 159 GLU N . 34384 1 685 . 1 . 1 59 59 SER H H 1 8.374 0.001 . 1 . . 167 . A 160 SER H . 34384 1 686 . 1 . 1 59 59 SER HA H 1 4.466 0.007 . 1 . . 1027 . A 160 SER HA . 34384 1 687 . 1 . 1 59 59 SER HB2 H 1 3.873 0.014 . 2 . . 1028 . A 160 SER HB2 . 34384 1 688 . 1 . 1 59 59 SER HB3 H 1 3.905 0.006 . 2 . . 1029 . A 160 SER HB3 . 34384 1 689 . 1 . 1 59 59 SER C C 13 174.688 . . 1 . . 518 . A 160 SER C . 34384 1 690 . 1 . 1 59 59 SER CA C 13 58.349 0.031 . 1 . . 379 . A 160 SER CA . 34384 1 691 . 1 . 1 59 59 SER CB C 13 63.891 0.015 . 1 . . 380 . A 160 SER CB . 34384 1 692 . 1 . 1 59 59 SER N N 15 115.644 0.038 . 1 . . 168 . A 160 SER N . 34384 1 693 . 1 . 1 60 60 ASN H H 1 8.559 0.003 . 1 . . 41 . A 161 ASN H . 34384 1 694 . 1 . 1 60 60 ASN HA H 1 4.720 0.002 . 1 . . 852 . A 161 ASN HA . 34384 1 695 . 1 . 1 60 60 ASN HB2 H 1 2.761 0.005 . 2 . . 853 . A 161 ASN HB2 . 34384 1 696 . 1 . 1 60 60 ASN HB3 H 1 2.876 0.004 . 2 . . 854 . A 161 ASN HB3 . 34384 1 697 . 1 . 1 60 60 ASN HD21 H 1 7.616 0.004 . 1 . . 1209 . A 161 ASN HD21 . 34384 1 698 . 1 . 1 60 60 ASN HD22 H 1 6.931 0.003 . 1 . . 1210 . A 161 ASN HD22 . 34384 1 699 . 1 . 1 60 60 ASN C C 13 175.111 . . 1 . . 520 . A 161 ASN C . 34384 1 700 . 1 . 1 60 60 ASN CA C 13 53.740 0.019 . 1 . . 377 . A 161 ASN CA . 34384 1 701 . 1 . 1 60 60 ASN CB C 13 38.751 0.032 . 1 . . 378 . A 161 ASN CB . 34384 1 702 . 1 . 1 60 60 ASN N N 15 120.460 0.016 . 1 . . 42 . A 161 ASN N . 34384 1 703 . 1 . 1 60 60 ASN ND2 N 15 113.164 0.007 . 1 . . 1208 . A 161 ASN ND2 . 34384 1 704 . 1 . 1 61 61 ASP H H 1 8.262 0.002 . 1 . . 242 . A 162 ASP H . 34384 1 705 . 1 . 1 61 61 ASP HA H 1 4.571 0.005 . 1 . . 870 . A 162 ASP HA . 34384 1 706 . 1 . 1 61 61 ASP HB2 H 1 2.680 0.008 . 2 . . 871 . A 162 ASP HB2 . 34384 1 707 . 1 . 1 61 61 ASP HB3 H 1 2.708 0.008 . 2 . . 872 . A 162 ASP HB3 . 34384 1 708 . 1 . 1 61 61 ASP C C 13 176.764 . . 1 . . 519 . A 162 ASP C . 34384 1 709 . 1 . 1 61 61 ASP CA C 13 54.449 0.022 . 1 . . 375 . A 162 ASP CA . 34384 1 710 . 1 . 1 61 61 ASP CB C 13 41.058 0.011 . 1 . . 376 . A 162 ASP CB . 34384 1 711 . 1 . 1 61 61 ASP N N 15 119.274 0.051 . 1 . . 241 . A 162 ASP N . 34384 1 712 . 1 . 1 62 62 GLY H H 1 8.271 0.003 . 1 . . 81 . A 163 GLY H . 34384 1 713 . 1 . 1 62 62 GLY HA2 H 1 3.908 0.014 . 2 . . 915 . A 163 GLY HA2 . 34384 1 714 . 1 . 1 62 62 GLY HA3 H 1 3.979 0.006 . 2 . . 916 . A 163 GLY HA3 . 34384 1 715 . 1 . 1 62 62 GLY C C 13 174.209 . . 1 . . 521 . A 163 GLY C . 34384 1 716 . 1 . 1 62 62 GLY CA C 13 45.641 0.007 . 1 . . 374 . A 163 GLY CA . 34384 1 717 . 1 . 1 62 62 GLY N N 15 108.610 0.031 . 1 . . 82 . A 163 GLY N . 34384 1 718 . 1 . 1 63 63 LYS H H 1 8.022 0.002 . 1 . . 21 . A 164 LYS H . 34384 1 719 . 1 . 1 63 63 LYS HA H 1 4.408 0.009 . 1 . . 1101 . A 164 LYS HA . 34384 1 720 . 1 . 1 63 63 LYS HB2 H 1 1.778 0.006 . 2 . . 1102 . A 164 LYS HB2 . 34384 1 721 . 1 . 1 63 63 LYS HB3 H 1 1.839 0.004 . 2 . . 1103 . A 164 LYS HB3 . 34384 1 722 . 1 . 1 63 63 LYS HG2 H 1 1.403 0.004 . 2 . . 1108 . A 164 LYS HG2 . 34384 1 723 . 1 . 1 63 63 LYS HG3 H 1 1.403 0.004 . 2 . . 1203 . A 164 LYS HG3 . 34384 1 724 . 1 . 1 63 63 LYS HD2 H 1 1.675 0.007 . 2 . . 1110 . A 164 LYS HD2 . 34384 1 725 . 1 . 1 63 63 LYS HD3 H 1 1.678 0.009 . 2 . . 1204 . A 164 LYS HD3 . 34384 1 726 . 1 . 1 63 63 LYS HE2 H 1 2.992 0.002 . 2 . . 1105 . A 164 LYS HE2 . 34384 1 727 . 1 . 1 63 63 LYS HE3 H 1 2.992 0.002 . 2 . . 1106 . A 164 LYS HE3 . 34384 1 728 . 1 . 1 63 63 LYS C C 13 176.577 . . 1 . . 522 . A 164 LYS C . 34384 1 729 . 1 . 1 63 63 LYS CA C 13 56.033 0.017 . 1 . . 367 . A 164 LYS CA . 34384 1 730 . 1 . 1 63 63 LYS CB C 13 33.295 0.028 . 1 . . 366 . A 164 LYS CB . 34384 1 731 . 1 . 1 63 63 LYS CG C 13 24.834 0.01 . 1 . . 1107 . A 164 LYS CG . 34384 1 732 . 1 . 1 63 63 LYS CD C 13 29.055 0.047 . 1 . . 1109 . A 164 LYS CD . 34384 1 733 . 1 . 1 63 63 LYS CE C 13 42.237 0.002 . 1 . . 1104 . A 164 LYS CE . 34384 1 734 . 1 . 1 63 63 LYS N N 15 120.568 0.034 . 1 . . 22 . A 164 LYS N . 34384 1 735 . 1 . 1 64 64 SER H H 1 8.313 0.002 . 1 . . 155 . A 165 SER H . 34384 1 736 . 1 . 1 64 64 SER HA H 1 4.632 0.006 . 1 . . 1030 . A 165 SER HA . 34384 1 737 . 1 . 1 64 64 SER HB2 H 1 3.743 0.011 . 2 . . 1031 . A 165 SER HB2 . 34384 1 738 . 1 . 1 64 64 SER HB3 H 1 3.767 0.007 . 2 . . 1032 . A 165 SER HB3 . 34384 1 739 . 1 . 1 64 64 SER C C 13 173.999 . . 1 . . 523 . A 165 SER C . 34384 1 740 . 1 . 1 64 64 SER CA C 13 58.314 0.035 . 1 . . 368 . A 165 SER CA . 34384 1 741 . 1 . 1 64 64 SER CB C 13 64.283 0.039 . 1 . . 369 . A 165 SER CB . 34384 1 742 . 1 . 1 64 64 SER N N 15 117.305 0.045 . 1 . . 156 . A 165 SER N . 34384 1 743 . 1 . 1 65 65 LYS H H 1 8.704 0.003 . 1 . . 37 . A 166 LYS H . 34384 1 744 . 1 . 1 65 65 LYS HA H 1 4.434 0.004 . 1 . . 1111 . A 166 LYS HA . 34384 1 745 . 1 . 1 65 65 LYS HB2 H 1 1.668 0.003 . 2 . . 1121 . A 166 LYS HB2 . 34384 1 746 . 1 . 1 65 65 LYS HB3 H 1 1.800 0.005 . 2 . . 1122 . A 166 LYS HB3 . 34384 1 747 . 1 . 1 65 65 LYS HG2 H 1 1.330 0.008 . 2 . . 1113 . A 166 LYS HG2 . 34384 1 748 . 1 . 1 65 65 LYS HG3 H 1 1.330 0.008 . 2 . . 1120 . A 166 LYS HG3 . 34384 1 749 . 1 . 1 65 65 LYS HD2 H 1 1.577 0.008 . 2 . . 1115 . A 166 LYS HD2 . 34384 1 750 . 1 . 1 65 65 LYS HD3 H 1 1.577 0.008 . 2 . . 1116 . A 166 LYS HD3 . 34384 1 751 . 1 . 1 65 65 LYS HE2 H 1 2.908 0.007 . 1 . . 1118 . A 166 LYS HE2 . 34384 1 752 . 1 . 1 65 65 LYS HE3 H 1 2.908 0.007 . 1 . . 1119 . A 166 LYS HE3 . 34384 1 753 . 1 . 1 65 65 LYS C C 13 174.887 . . 1 . . 524 . A 166 LYS C . 34384 1 754 . 1 . 1 65 65 LYS CA C 13 56.000 0.038 . 1 . . 370 . A 166 LYS CA . 34384 1 755 . 1 . 1 65 65 LYS CB C 13 34.581 0.027 . 1 . . 371 . A 166 LYS CB . 34384 1 756 . 1 . 1 65 65 LYS CG C 13 24.598 0.04 . 1 . . 1112 . A 166 LYS CG . 34384 1 757 . 1 . 1 65 65 LYS CD C 13 29.337 0.04 . 1 . . 1114 . A 166 LYS CD . 34384 1 758 . 1 . 1 65 65 LYS CE C 13 42.258 0.05 . 1 . . 1117 . A 166 LYS CE . 34384 1 759 . 1 . 1 65 65 LYS N N 15 123.266 0.026 . 1 . . 38 . A 166 LYS N . 34384 1 760 . 1 . 1 66 66 VAL H H 1 8.279 0.004 . 1 . . 65 . A 167 VAL H . 34384 1 761 . 1 . 1 66 66 VAL HA H 1 4.772 0.003 . 1 . . 716 . A 167 VAL HA . 34384 1 762 . 1 . 1 66 66 VAL HB H 1 1.676 0.005 . 1 . . 721 . A 167 VAL HB . 34384 1 763 . 1 . 1 66 66 VAL HG11 H 1 0.206 0.004 . 2 . . 718 . A 167 VAL HG11 . 34384 1 764 . 1 . 1 66 66 VAL HG12 H 1 0.206 0.004 . 2 . . 718 . A 167 VAL HG12 . 34384 1 765 . 1 . 1 66 66 VAL HG13 H 1 0.206 0.004 . 2 . . 718 . A 167 VAL HG13 . 34384 1 766 . 1 . 1 66 66 VAL HG21 H 1 0.781 0.004 . 2 . . 720 . A 167 VAL HG21 . 34384 1 767 . 1 . 1 66 66 VAL HG22 H 1 0.781 0.004 . 2 . . 720 . A 167 VAL HG22 . 34384 1 768 . 1 . 1 66 66 VAL HG23 H 1 0.781 0.004 . 2 . . 720 . A 167 VAL HG23 . 34384 1 769 . 1 . 1 66 66 VAL C C 13 174.197 . . 1 . . 525 . A 167 VAL C . 34384 1 770 . 1 . 1 66 66 VAL CA C 13 60.731 0.032 . 1 . . 372 . A 167 VAL CA . 34384 1 771 . 1 . 1 66 66 VAL CB C 13 34.422 0.021 . 1 . . 373 . A 167 VAL CB . 34384 1 772 . 1 . 1 66 66 VAL CG1 C 13 21.202 0.029 . 2 . . 717 . A 167 VAL CG1 . 34384 1 773 . 1 . 1 66 66 VAL CG2 C 13 22.535 0.021 . 2 . . 719 . A 167 VAL CG2 . 34384 1 774 . 1 . 1 66 66 VAL N N 15 122.393 0.041 . 1 . . 66 . A 167 VAL N . 34384 1 775 . 1 . 1 67 67 THR H H 1 8.836 0.006 . 1 . . 55 . A 168 THR H . 34384 1 776 . 1 . 1 67 67 THR HA H 1 4.305 0.01 . 1 . . 762 . A 168 THR HA . 34384 1 777 . 1 . 1 67 67 THR HB H 1 3.484 0.005 . 1 . . 763 . A 168 THR HB . 34384 1 778 . 1 . 1 67 67 THR HG21 H 1 1.092 0.006 . 1 . . 765 . A 168 THR HG21 . 34384 1 779 . 1 . 1 67 67 THR HG22 H 1 1.092 0.006 . 1 . . 765 . A 168 THR HG22 . 34384 1 780 . 1 . 1 67 67 THR HG23 H 1 1.092 0.006 . 1 . . 765 . A 168 THR HG23 . 34384 1 781 . 1 . 1 67 67 THR C C 13 171.659 . . 1 . . 526 . A 168 THR C . 34384 1 782 . 1 . 1 67 67 THR CA C 13 61.864 0.056 . 1 . . 307 . A 168 THR CA . 34384 1 783 . 1 . 1 67 67 THR CB C 13 70.148 0.026 . 1 . . 306 . A 168 THR CB . 34384 1 784 . 1 . 1 67 67 THR CG2 C 13 22.845 0.044 . 1 . . 764 . A 168 THR CG2 . 34384 1 785 . 1 . 1 67 67 THR N N 15 124.918 0.043 . 1 . . 56 . A 168 THR N . 34384 1 786 . 1 . 1 68 68 HIS H H 1 9.094 0.006 . 1 . . 59 . A 169 HIS H . 34384 1 787 . 1 . 1 68 68 HIS HA H 1 5.295 0.009 . 1 . . 987 . A 169 HIS HA . 34384 1 788 . 1 . 1 68 68 HIS HB2 H 1 2.580 0.009 . 2 . . 988 . A 169 HIS HB2 . 34384 1 789 . 1 . 1 68 68 HIS HB3 H 1 2.856 0.012 . 2 . . 989 . A 169 HIS HB3 . 34384 1 790 . 1 . 1 68 68 HIS HD2 H 1 7.037 0.005 . 1 . . 1291 . A 169 HIS HD2 . 34384 1 791 . 1 . 1 68 68 HIS HE1 H 1 7.550 0.004 . 1 . . 1293 . A 169 HIS HE1 . 34384 1 792 . 1 . 1 68 68 HIS C C 13 174.061 . . 1 . . 527 . A 169 HIS C . 34384 1 793 . 1 . 1 68 68 HIS CA C 13 54.646 0.024 . 1 . . 305 . A 169 HIS CA . 34384 1 794 . 1 . 1 68 68 HIS CB C 13 33.838 0.035 . 1 . . 304 . A 169 HIS CB . 34384 1 795 . 1 . 1 68 68 HIS CD2 C 13 121.800 0.041 . 1 . . 1292 . A 169 HIS CD2 . 34384 1 796 . 1 . 1 68 68 HIS CE1 C 13 137.887 0.048 . 1 . . 1294 . A 169 HIS CE1 . 34384 1 797 . 1 . 1 68 68 HIS N N 15 125.922 0.032 . 1 . . 60 . A 169 HIS N . 34384 1 798 . 1 . 1 69 69 VAL H H 1 9.594 0.007 . 1 . . 69 . A 170 VAL H . 34384 1 799 . 1 . 1 69 69 VAL HA H 1 4.498 0.006 . 1 . . 722 . A 170 VAL HA . 34384 1 800 . 1 . 1 69 69 VAL HB H 1 2.078 0.004 . 1 . . 723 . A 170 VAL HB . 34384 1 801 . 1 . 1 69 69 VAL HG11 H 1 0.788 0.004 . 2 . . 724 . A 170 VAL HG11 . 34384 1 802 . 1 . 1 69 69 VAL HG12 H 1 0.788 0.004 . 2 . . 724 . A 170 VAL HG12 . 34384 1 803 . 1 . 1 69 69 VAL HG13 H 1 0.788 0.004 . 2 . . 724 . A 170 VAL HG13 . 34384 1 804 . 1 . 1 69 69 VAL HG21 H 1 0.936 0.004 . 2 . . 725 . A 170 VAL HG21 . 34384 1 805 . 1 . 1 69 69 VAL HG22 H 1 0.936 0.004 . 2 . . 725 . A 170 VAL HG22 . 34384 1 806 . 1 . 1 69 69 VAL HG23 H 1 0.936 0.004 . 2 . . 725 . A 170 VAL HG23 . 34384 1 807 . 1 . 1 69 69 VAL C C 13 174.933 . . 1 . . 528 . A 170 VAL C . 34384 1 808 . 1 . 1 69 69 VAL CA C 13 61.253 0.027 . 1 . . 302 . A 170 VAL CA . 34384 1 809 . 1 . 1 69 69 VAL CB C 13 34.996 0.028 . 1 . . 303 . A 170 VAL CB . 34384 1 810 . 1 . 1 69 69 VAL CG1 C 13 21.475 0.038 . 2 . . 1425 . A 170 VAL CG1 . 34384 1 811 . 1 . 1 69 69 VAL CG2 C 13 21.333 0.027 . 2 . . 1426 . A 170 VAL CG2 . 34384 1 812 . 1 . 1 69 69 VAL N N 15 124.809 0.032 . 1 . . 70 . A 170 VAL N . 34384 1 813 . 1 . 1 70 70 MET H H 1 9.424 0.005 . 1 . . 159 . A 171 MET H . 34384 1 814 . 1 . 1 70 70 MET HA H 1 4.511 0.005 . 1 . . 796 . A 171 MET HA . 34384 1 815 . 1 . 1 70 70 MET HB2 H 1 1.659 0.004 . 2 . . 797 . A 171 MET HB2 . 34384 1 816 . 1 . 1 70 70 MET HB3 H 1 1.896 0.005 . 2 . . 798 . A 171 MET HB3 . 34384 1 817 . 1 . 1 70 70 MET HG2 H 1 2.154 0.011 . 2 . . 800 . A 171 MET HG2 . 34384 1 818 . 1 . 1 70 70 MET HG3 H 1 2.122 0.013 . 2 . . 801 . A 171 MET HG3 . 34384 1 819 . 1 . 1 70 70 MET HE1 H 1 1.049 0.003 . 1 . . 1280 . A 171 MET HE1 . 34384 1 820 . 1 . 1 70 70 MET HE2 H 1 1.049 0.003 . 1 . . 1280 . A 171 MET HE2 . 34384 1 821 . 1 . 1 70 70 MET HE3 H 1 1.049 0.003 . 1 . . 1280 . A 171 MET HE3 . 34384 1 822 . 1 . 1 70 70 MET C C 13 175.021 . . 1 . . 529 . A 171 MET C . 34384 1 823 . 1 . 1 70 70 MET CA C 13 56.169 0.03 . 1 . . 301 . A 171 MET CA . 34384 1 824 . 1 . 1 70 70 MET CB C 13 31.905 0.043 . 1 . . 300 . A 171 MET CB . 34384 1 825 . 1 . 1 70 70 MET CG C 13 31.802 0.013 . 1 . . 799 . A 171 MET CG . 34384 1 826 . 1 . 1 70 70 MET CE C 13 15.414 0.02 . 1 . . 1281 . A 171 MET CE . 34384 1 827 . 1 . 1 70 70 MET N N 15 128.806 0.02 . 1 . . 160 . A 171 MET N . 34384 1 828 . 1 . 1 71 71 ILE H H 1 9.355 0.004 . 1 . . 197 . A 172 ILE H . 34384 1 829 . 1 . 1 71 71 ILE HA H 1 4.816 0.007 . 1 . . 690 . A 172 ILE HA . 34384 1 830 . 1 . 1 71 71 ILE HB H 1 1.768 0.003 . 1 . . 691 . A 172 ILE HB . 34384 1 831 . 1 . 1 71 71 ILE HG12 H 1 1.774 0.006 . 2 . . 693 . A 172 ILE HG12 . 34384 1 832 . 1 . 1 71 71 ILE HG13 H 1 0.850 0.01 . 2 . . 1171 . A 172 ILE HG13 . 34384 1 833 . 1 . 1 71 71 ILE HG21 H 1 1.126 0.004 . 1 . . 697 . A 172 ILE HG21 . 34384 1 834 . 1 . 1 71 71 ILE HG22 H 1 1.126 0.004 . 1 . . 697 . A 172 ILE HG22 . 34384 1 835 . 1 . 1 71 71 ILE HG23 H 1 1.126 0.004 . 1 . . 697 . A 172 ILE HG23 . 34384 1 836 . 1 . 1 71 71 ILE HD11 H 1 0.807 0.008 . 1 . . 695 . A 172 ILE HD11 . 34384 1 837 . 1 . 1 71 71 ILE HD12 H 1 0.807 0.008 . 1 . . 695 . A 172 ILE HD12 . 34384 1 838 . 1 . 1 71 71 ILE HD13 H 1 0.807 0.008 . 1 . . 695 . A 172 ILE HD13 . 34384 1 839 . 1 . 1 71 71 ILE C C 13 175.848 . . 1 . . 530 . A 172 ILE C . 34384 1 840 . 1 . 1 71 71 ILE CA C 13 59.543 0.018 . 1 . . 299 . A 172 ILE CA . 34384 1 841 . 1 . 1 71 71 ILE CB C 13 39.764 0.031 . 1 . . 298 . A 172 ILE CB . 34384 1 842 . 1 . 1 71 71 ILE CG1 C 13 26.529 0.042 . 1 . . 692 . A 172 ILE CG1 . 34384 1 843 . 1 . 1 71 71 ILE CG2 C 13 18.452 0.022 . 1 . . 696 . A 172 ILE CG2 . 34384 1 844 . 1 . 1 71 71 ILE CD1 C 13 15.186 0.027 . 1 . . 694 . A 172 ILE CD1 . 34384 1 845 . 1 . 1 71 71 ILE N N 15 127.495 0.015 . 1 . . 198 . A 172 ILE N . 34384 1 846 . 1 . 1 72 72 ARG H H 1 8.614 0.005 . 1 . . 39 . A 173 ARG H . 34384 1 847 . 1 . 1 72 72 ARG HA H 1 4.307 0.006 . 1 . . 834 . A 173 ARG HA . 34384 1 848 . 1 . 1 72 72 ARG HB2 H 1 1.786 0.007 . 2 . . 838 . A 173 ARG HB2 . 34384 1 849 . 1 . 1 72 72 ARG HB3 H 1 1.945 0.008 . 2 . . 839 . A 173 ARG HB3 . 34384 1 850 . 1 . 1 72 72 ARG HG2 H 1 1.470 0.007 . 2 . . 841 . A 173 ARG HG2 . 34384 1 851 . 1 . 1 72 72 ARG HG3 H 1 1.663 0.005 . 2 . . 842 . A 173 ARG HG3 . 34384 1 852 . 1 . 1 72 72 ARG HD2 H 1 3.108 0.005 . 2 . . 836 . A 173 ARG HD2 . 34384 1 853 . 1 . 1 72 72 ARG HD3 H 1 3.179 0.005 . 2 . . 837 . A 173 ARG HD3 . 34384 1 854 . 1 . 1 72 72 ARG HE H 1 8.603 0.007 . 1 . . 1408 . A 173 ARG HE . 34384 1 855 . 1 . 1 72 72 ARG C C 13 175.839 . . 1 . . 531 . A 173 ARG C . 34384 1 856 . 1 . 1 72 72 ARG CA C 13 55.846 0.05 . 1 . . 296 . A 173 ARG CA . 34384 1 857 . 1 . 1 72 72 ARG CB C 13 31.482 0.032 . 1 . . 297 . A 173 ARG CB . 34384 1 858 . 1 . 1 72 72 ARG CG C 13 26.160 0.043 . 1 . . 840 . A 173 ARG CG . 34384 1 859 . 1 . 1 72 72 ARG CD C 13 43.944 0.026 . 1 . . 835 . A 173 ARG CD . 34384 1 860 . 1 . 1 72 72 ARG N N 15 126.684 0.029 . 1 . . 40 . A 173 ARG N . 34384 1 861 . 1 . 1 72 72 ARG NE N 15 84.365 0.017 . 1 . . 1409 . A 173 ARG NE . 34384 1 862 . 1 . 1 73 73 CYS H H 1 8.754 0.021 . 1 . . 193 . A 174 CYS H . 34384 1 863 . 1 . 1 73 73 CYS HA H 1 5.030 0.006 . 1 . . 882 . A 174 CYS HA . 34384 1 864 . 1 . 1 73 73 CYS HB2 H 1 2.734 0.006 . 2 . . 883 . A 174 CYS HB2 . 34384 1 865 . 1 . 1 73 73 CYS HB3 H 1 3.224 0.007 . 2 . . 884 . A 174 CYS HB3 . 34384 1 866 . 1 . 1 73 73 CYS C C 13 174.717 . . 1 . . 532 . A 174 CYS C . 34384 1 867 . 1 . 1 73 73 CYS CA C 13 57.180 0.048 . 1 . . 295 . A 174 CYS CA . 34384 1 868 . 1 . 1 73 73 CYS CB C 13 27.962 0.03 . 1 . . 294 . A 174 CYS CB . 34384 1 869 . 1 . 1 73 73 CYS N N 15 124.784 0.062 . 1 . . 194 . A 174 CYS N . 34384 1 870 . 1 . 1 74 74 GLN H H 1 8.635 0.007 . 1 . . 203 . A 175 GLN H . 34384 1 871 . 1 . 1 74 74 GLN HA H 1 4.623 0.004 . 1 . . 890 . A 175 GLN HA . 34384 1 872 . 1 . 1 74 74 GLN HB2 H 1 1.843 0.01 . 2 . . 891 . A 175 GLN HB2 . 34384 1 873 . 1 . 1 74 74 GLN HB3 H 1 1.924 0.006 . 2 . . 892 . A 175 GLN HB3 . 34384 1 874 . 1 . 1 74 74 GLN HG2 H 1 2.209 0.003 . 2 . . 894 . A 175 GLN HG2 . 34384 1 875 . 1 . 1 74 74 GLN HG3 H 1 2.209 0.003 . 2 . . 1174 . A 175 GLN HG3 . 34384 1 876 . 1 . 1 74 74 GLN HE21 H 1 6.623 0.003 . 1 . . 1218 . A 175 GLN HE21 . 34384 1 877 . 1 . 1 74 74 GLN HE22 H 1 7.590 0.005 . 1 . . 1219 . A 175 GLN HE22 . 34384 1 878 . 1 . 1 74 74 GLN C C 13 175.137 . . 1 . . 533 . A 175 GLN C . 34384 1 879 . 1 . 1 74 74 GLN CA C 13 54.896 0.031 . 1 . . 293 . A 175 GLN CA . 34384 1 880 . 1 . 1 74 74 GLN CB C 13 31.437 0.02 . 1 . . 292 . A 175 GLN CB . 34384 1 881 . 1 . 1 74 74 GLN CG C 13 33.766 0.024 . 1 . . 893 . A 175 GLN CG . 34384 1 882 . 1 . 1 74 74 GLN N N 15 127.415 0.039 . 1 . . 204 . A 175 GLN N . 34384 1 883 . 1 . 1 74 74 GLN NE2 N 15 111.263 0.008 . 1 . . 1217 . A 175 GLN NE2 . 34384 1 884 . 1 . 1 75 75 GLU H H 1 9.328 0.005 . 1 . . 7 . A 176 GLU H . 34384 1 885 . 1 . 1 75 75 GLU HA H 1 3.774 0.003 . 1 . . 959 . A 176 GLU HA . 34384 1 886 . 1 . 1 75 75 GLU HB2 H 1 1.964 0.009 . 2 . . 960 . A 176 GLU HB2 . 34384 1 887 . 1 . 1 75 75 GLU HB3 H 1 2.105 0.006 . 2 . . 961 . A 176 GLU HB3 . 34384 1 888 . 1 . 1 75 75 GLU HG2 H 1 2.178 0.002 . 2 . . 963 . A 176 GLU HG2 . 34384 1 889 . 1 . 1 75 75 GLU HG3 H 1 2.107 0.002 . 2 . . 1186 . A 176 GLU HG3 . 34384 1 890 . 1 . 1 75 75 GLU C C 13 174.933 . . 1 . . 534 . A 176 GLU C . 34384 1 891 . 1 . 1 75 75 GLU CA C 13 57.352 0.03 . 1 . . 284 . A 176 GLU CA . 34384 1 892 . 1 . 1 75 75 GLU CB C 13 27.513 0.03 . 1 . . 285 . A 176 GLU CB . 34384 1 893 . 1 . 1 75 75 GLU CG C 13 36.843 0.026 . 1 . . 962 . A 176 GLU CG . 34384 1 894 . 1 . 1 75 75 GLU N N 15 125.073 0.05 . 1 . . 8 . A 176 GLU N . 34384 1 895 . 1 . 1 76 76 LEU H H 1 8.342 0.002 . 1 . . 209 . A 177 LEU H . 34384 1 896 . 1 . 1 76 76 LEU HA H 1 3.479 0.004 . 1 . . 634 . A 177 LEU HA . 34384 1 897 . 1 . 1 76 76 LEU HB2 H 1 1.670 0.004 . 2 . . 632 . A 177 LEU HB2 . 34384 1 898 . 1 . 1 76 76 LEU HB3 H 1 2.116 0.003 . 2 . . 633 . A 177 LEU HB3 . 34384 1 899 . 1 . 1 76 76 LEU HG H 1 1.474 0.003 . 1 . . 631 . A 177 LEU HG . 34384 1 900 . 1 . 1 76 76 LEU HD11 H 1 0.911 0.003 . 2 . . 629 . A 177 LEU HD11 . 34384 1 901 . 1 . 1 76 76 LEU HD12 H 1 0.911 0.003 . 2 . . 629 . A 177 LEU HD12 . 34384 1 902 . 1 . 1 76 76 LEU HD13 H 1 0.911 0.003 . 2 . . 629 . A 177 LEU HD13 . 34384 1 903 . 1 . 1 76 76 LEU HD21 H 1 0.859 0.005 . 2 . . 636 . A 177 LEU HD21 . 34384 1 904 . 1 . 1 76 76 LEU HD22 H 1 0.859 0.005 . 2 . . 636 . A 177 LEU HD22 . 34384 1 905 . 1 . 1 76 76 LEU HD23 H 1 0.859 0.005 . 2 . . 636 . A 177 LEU HD23 . 34384 1 906 . 1 . 1 76 76 LEU C C 13 175.252 . . 1 . . 535 . A 177 LEU C . 34384 1 907 . 1 . 1 76 76 LEU CA C 13 56.573 0.036 . 1 . . 287 . A 177 LEU CA . 34384 1 908 . 1 . 1 76 76 LEU CB C 13 39.363 0.018 . 1 . . 286 . A 177 LEU CB . 34384 1 909 . 1 . 1 76 76 LEU CG C 13 27.151 0.021 . 1 . . 630 . A 177 LEU CG . 34384 1 910 . 1 . 1 76 76 LEU CD1 C 13 25.474 0.029 . 2 . . 637 . A 177 LEU CD1 . 34384 1 911 . 1 . 1 76 76 LEU CD2 C 13 22.905 0.033 . 2 . . 635 . A 177 LEU CD2 . 34384 1 912 . 1 . 1 76 76 LEU N N 15 109.118 0.037 . 1 . . 210 . A 177 LEU N . 34384 1 913 . 1 . 1 77 77 LYS H H 1 7.540 0.009 . 1 . . 99 . A 178 LYS H . 34384 1 914 . 1 . 1 77 77 LYS HA H 1 5.057 0.007 . 1 . . 1123 . A 178 LYS HA . 34384 1 915 . 1 . 1 77 77 LYS HB2 H 1 1.576 0.005 . 2 . . 1129 . A 178 LYS HB2 . 34384 1 916 . 1 . 1 77 77 LYS HB3 H 1 1.778 0.005 . 2 . . 1130 . A 178 LYS HB3 . 34384 1 917 . 1 . 1 77 77 LYS HG2 H 1 1.369 0.007 . 2 . . 1128 . A 178 LYS HG2 . 34384 1 918 . 1 . 1 77 77 LYS HG3 H 1 1.431 0.011 . 2 . . 1134 . A 178 LYS HG3 . 34384 1 919 . 1 . 1 77 77 LYS HD2 H 1 1.375 0.005 . 2 . . 1125 . A 178 LYS HD2 . 34384 1 920 . 1 . 1 77 77 LYS HD3 H 1 1.601 0.005 . 2 . . 1126 . A 178 LYS HD3 . 34384 1 921 . 1 . 1 77 77 LYS HE2 H 1 2.918 0.004 . 2 . . 1132 . A 178 LYS HE2 . 34384 1 922 . 1 . 1 77 77 LYS HE3 H 1 2.918 0.004 . 2 . . 1133 . A 178 LYS HE3 . 34384 1 923 . 1 . 1 77 77 LYS C C 13 175.935 . . 1 . . 536 . A 178 LYS C . 34384 1 924 . 1 . 1 77 77 LYS CA C 13 53.948 0.029 . 1 . . 288 . A 178 LYS CA . 34384 1 925 . 1 . 1 77 77 LYS CB C 13 36.336 0.04 . 1 . . 289 . A 178 LYS CB . 34384 1 926 . 1 . 1 77 77 LYS CG C 13 25.103 0.021 . 1 . . 1127 . A 178 LYS CG . 34384 1 927 . 1 . 1 77 77 LYS CD C 13 29.108 0.025 . 1 . . 1124 . A 178 LYS CD . 34384 1 928 . 1 . 1 77 77 LYS CE C 13 42.474 0.041 . 1 . . 1131 . A 178 LYS CE . 34384 1 929 . 1 . 1 77 77 LYS N N 15 118.075 0.108 . 1 . . 100 . A 178 LYS N . 34384 1 930 . 1 . 1 78 78 TYR H H 1 9.322 0.004 . 1 . . 217 . A 179 TYR H . 34384 1 931 . 1 . 1 78 78 TYR HA H 1 5.893 0.005 . 1 . . 1039 . A 179 TYR HA . 34384 1 932 . 1 . 1 78 78 TYR HB2 H 1 2.584 0.007 . 2 . . 1040 . A 179 TYR HB2 . 34384 1 933 . 1 . 1 78 78 TYR HB3 H 1 2.828 0.006 . 2 . . 1041 . A 179 TYR HB3 . 34384 1 934 . 1 . 1 78 78 TYR HD1 H 1 6.941 0.006 . 1 . . 1305 . A 179 TYR HD1 . 34384 1 935 . 1 . 1 78 78 TYR HD2 H 1 6.941 0.006 . 1 . . 1305 . A 179 TYR HD2 . 34384 1 936 . 1 . 1 78 78 TYR HE1 H 1 6.792 0.004 . 1 . . 1303 . A 179 TYR HE1 . 34384 1 937 . 1 . 1 78 78 TYR HE2 H 1 6.792 0.004 . 1 . . 1303 . A 179 TYR HE2 . 34384 1 938 . 1 . 1 78 78 TYR C C 13 176.054 . . 1 . . 537 . A 179 TYR C . 34384 1 939 . 1 . 1 78 78 TYR CA C 13 56.823 0.037 . 1 . . 291 . A 179 TYR CA . 34384 1 940 . 1 . 1 78 78 TYR CB C 13 42.302 0.05 . 1 . . 290 . A 179 TYR CB . 34384 1 941 . 1 . 1 78 78 TYR CD1 C 13 132.439 0.047 . 1 . . 1306 . A 179 TYR CD1 . 34384 1 942 . 1 . 1 78 78 TYR CD2 C 13 132.439 0.047 . 1 . . 1306 . A 179 TYR CD2 . 34384 1 943 . 1 . 1 78 78 TYR CE1 C 13 118.521 0.025 . 1 . . 1304 . A 179 TYR CE1 . 34384 1 944 . 1 . 1 78 78 TYR CE2 C 13 118.521 0.025 . 1 . . 1304 . A 179 TYR CE2 . 34384 1 945 . 1 . 1 78 78 TYR N N 15 119.411 0.042 . 1 . . 218 . A 179 TYR N . 34384 1 946 . 1 . 1 79 79 ASP H H 1 9.055 0.009 . 1 . . 3 . A 180 ASP H . 34384 1 947 . 1 . 1 79 79 ASP HA H 1 5.168 0.004 . 1 . . 873 . A 180 ASP HA . 34384 1 948 . 1 . 1 79 79 ASP HB2 H 1 2.884 0.011 . 2 . . 874 . A 180 ASP HB2 . 34384 1 949 . 1 . 1 79 79 ASP HB3 H 1 3.060 0.005 . 2 . . 875 . A 180 ASP HB3 . 34384 1 950 . 1 . 1 79 79 ASP C C 13 175.002 . . 1 . . 539 . A 180 ASP C . 34384 1 951 . 1 . 1 79 79 ASP CA C 13 54.089 0.052 . 1 . . 279 . A 180 ASP CA . 34384 1 952 . 1 . 1 79 79 ASP CB C 13 44.561 0.018 . 1 . . 278 . A 180 ASP CB . 34384 1 953 . 1 . 1 79 79 ASP N N 15 119.225 0.031 . 1 . . 4 . A 180 ASP N . 34384 1 954 . 1 . 1 80 80 VAL H H 1 7.837 0.008 . 1 . . 246 . A 181 VAL H . 34384 1 955 . 1 . 1 80 80 VAL HA H 1 5.359 0.005 . 1 . . 726 . A 181 VAL HA . 34384 1 956 . 1 . 1 80 80 VAL HB H 1 2.558 0.006 . 1 . . 731 . A 181 VAL HB . 34384 1 957 . 1 . 1 80 80 VAL HG11 H 1 1.057 0.003 . 2 . . 728 . A 181 VAL HG11 . 34384 1 958 . 1 . 1 80 80 VAL HG12 H 1 1.057 0.003 . 2 . . 728 . A 181 VAL HG12 . 34384 1 959 . 1 . 1 80 80 VAL HG13 H 1 1.057 0.003 . 2 . . 728 . A 181 VAL HG13 . 34384 1 960 . 1 . 1 80 80 VAL HG21 H 1 0.846 0.003 . 2 . . 730 . A 181 VAL HG21 . 34384 1 961 . 1 . 1 80 80 VAL HG22 H 1 0.846 0.003 . 2 . . 730 . A 181 VAL HG22 . 34384 1 962 . 1 . 1 80 80 VAL HG23 H 1 0.846 0.003 . 2 . . 730 . A 181 VAL HG23 . 34384 1 963 . 1 . 1 80 80 VAL C C 13 176.164 . . 1 . . 538 . A 181 VAL C . 34384 1 964 . 1 . 1 80 80 VAL CA C 13 60.064 0.044 . 1 . . 281 . A 181 VAL CA . 34384 1 965 . 1 . 1 80 80 VAL CB C 13 30.161 0.038 . 1 . . 280 . A 181 VAL CB . 34384 1 966 . 1 . 1 80 80 VAL CG1 C 13 19.071 0.019 . 2 . . 727 . A 181 VAL CG1 . 34384 1 967 . 1 . 1 80 80 VAL CG2 C 13 22.136 0.034 . 2 . . 729 . A 181 VAL CG2 . 34384 1 968 . 1 . 1 80 80 VAL N N 15 109.680 0.055 . 1 . . 245 . A 181 VAL N . 34384 1 969 . 1 . 1 81 81 GLY H H 1 9.090 0.005 . 1 . . 53 . A 182 GLY H . 34384 1 970 . 1 . 1 81 81 GLY HA2 H 1 3.458 0.005 . 2 . . 917 . A 182 GLY HA2 . 34384 1 971 . 1 . 1 81 81 GLY HA3 H 1 4.440 0.006 . 2 . . 918 . A 182 GLY HA3 . 34384 1 972 . 1 . 1 81 81 GLY C C 13 173.527 . . 1 . . 540 . A 182 GLY C . 34384 1 973 . 1 . 1 81 81 GLY CA C 13 45.220 0.043 . 1 . . 313 . A 182 GLY CA . 34384 1 974 . 1 . 1 81 81 GLY N N 15 110.358 0.035 . 1 . . 54 . A 182 GLY N . 34384 1 975 . 1 . 1 82 82 GLY H H 1 7.504 0.004 . 1 . . 13 . A 183 GLY H . 34384 1 976 . 1 . 1 82 82 GLY HA2 H 1 3.300 0.005 . 2 . . 919 . A 183 GLY HA2 . 34384 1 977 . 1 . 1 82 82 GLY HA3 H 1 3.585 0.007 . 2 . . 920 . A 183 GLY HA3 . 34384 1 978 . 1 . 1 82 82 GLY C C 13 172.423 . . 1 . . 541 . A 183 GLY C . 34384 1 979 . 1 . 1 82 82 GLY CA C 13 43.647 0.021 . 1 . . 259 . A 183 GLY CA . 34384 1 980 . 1 . 1 82 82 GLY N N 15 107.055 0.034 . 1 . . 14 . A 183 GLY N . 34384 1 981 . 1 . 1 83 83 GLY H H 1 8.213 0.002 . 1 . . 133 . A 184 GLY H . 34384 1 982 . 1 . 1 83 83 GLY HA2 H 1 3.515 0.008 . 2 . . 921 . A 184 GLY HA2 . 34384 1 983 . 1 . 1 83 83 GLY HA3 H 1 3.679 0.008 . 2 . . 922 . A 184 GLY HA3 . 34384 1 984 . 1 . 1 83 83 GLY C C 13 173.670 . . 1 . . 542 . A 184 GLY C . 34384 1 985 . 1 . 1 83 83 GLY CA C 13 44.898 0.017 . 1 . . 312 . A 184 GLY CA . 34384 1 986 . 1 . 1 83 83 GLY N N 15 107.886 0.043 . 1 . . 134 . A 184 GLY N . 34384 1 987 . 1 . 1 84 84 GLU H H 1 8.391 0.002 . 1 . . 129 . A 185 GLU H . 34384 1 988 . 1 . 1 84 84 GLU HA H 1 3.818 0.003 . 1 . . 964 . A 185 GLU HA . 34384 1 989 . 1 . 1 84 84 GLU HB2 H 1 1.316 0.003 . 2 . . 965 . A 185 GLU HB2 . 34384 1 990 . 1 . 1 84 84 GLU HB3 H 1 1.535 0.004 . 2 . . 966 . A 185 GLU HB3 . 34384 1 991 . 1 . 1 84 84 GLU HG2 H 1 1.663 0.006 . 2 . . 968 . A 185 GLU HG2 . 34384 1 992 . 1 . 1 84 84 GLU HG3 H 1 1.865 0.006 . 2 . . 969 . A 185 GLU HG3 . 34384 1 993 . 1 . 1 84 84 GLU C C 13 174.130 . . 1 . . 543 . A 185 GLU C . 34384 1 994 . 1 . 1 84 84 GLU CA C 13 56.614 0.034 . 1 . . 257 . A 185 GLU CA . 34384 1 995 . 1 . 1 84 84 GLU CB C 13 30.096 0.02 . 1 . . 258 . A 185 GLU CB . 34384 1 996 . 1 . 1 84 84 GLU CG C 13 35.719 0.026 . 1 . . 967 . A 185 GLU CG . 34384 1 997 . 1 . 1 84 84 GLU N N 15 122.350 0.023 . 1 . . 130 . A 185 GLU N . 34384 1 998 . 1 . 1 85 85 ARG H H 1 7.941 0.004 . 1 . . 221 . A 186 ARG H . 34384 1 999 . 1 . 1 85 85 ARG HA H 1 4.947 0.004 . 1 . . 843 . A 186 ARG HA . 34384 1 1000 . 1 . 1 85 85 ARG HB2 H 1 1.560 0.008 . 2 . . 850 . A 186 ARG HB2 . 34384 1 1001 . 1 . 1 85 85 ARG HB3 H 1 1.508 0.012 . 2 . . 851 . A 186 ARG HB3 . 34384 1 1002 . 1 . 1 85 85 ARG HG2 H 1 1.661 0.003 . 2 . . 848 . A 186 ARG HG2 . 34384 1 1003 . 1 . 1 85 85 ARG HG3 H 1 1.487 0.002 . 2 . . 849 . A 186 ARG HG3 . 34384 1 1004 . 1 . 1 85 85 ARG HD2 H 1 3.104 0.005 . 2 . . 845 . A 186 ARG HD2 . 34384 1 1005 . 1 . 1 85 85 ARG HD3 H 1 3.024 0.005 . 2 . . 846 . A 186 ARG HD3 . 34384 1 1006 . 1 . 1 85 85 ARG HE H 1 7.117 0.005 . 1 . . 1406 . A 186 ARG HE . 34384 1 1007 . 1 . 1 85 85 ARG C C 13 176.363 . . 1 . . 544 . A 186 ARG C . 34384 1 1008 . 1 . 1 85 85 ARG CA C 13 54.356 0.016 . 1 . . 256 . A 186 ARG CA . 34384 1 1009 . 1 . 1 85 85 ARG CB C 13 32.445 0.029 . 1 . . 255 . A 186 ARG CB . 34384 1 1010 . 1 . 1 85 85 ARG CG C 13 27.331 0.022 . 1 . . 847 . A 186 ARG CG . 34384 1 1011 . 1 . 1 85 85 ARG CD C 13 43.933 0.016 . 1 . . 844 . A 186 ARG CD . 34384 1 1012 . 1 . 1 85 85 ARG N N 15 119.386 0.026 . 1 . . 222 . A 186 ARG N . 34384 1 1013 . 1 . 1 85 85 ARG NE N 15 84.882 0.014 . 1 . . 1407 . A 186 ARG NE . 34384 1 1014 . 1 . 1 86 86 PHE H H 1 9.476 0.005 . 1 . . 225 . A 187 PHE H . 34384 1 1015 . 1 . 1 86 86 PHE HA H 1 4.860 0.005 . 1 . . 1002 . A 187 PHE HA . 34384 1 1016 . 1 . 1 86 86 PHE HB2 H 1 2.836 0.007 . 2 . . 1003 . A 187 PHE HB2 . 34384 1 1017 . 1 . 1 86 86 PHE HB3 H 1 3.473 0.004 . 2 . . 1004 . A 187 PHE HB3 . 34384 1 1018 . 1 . 1 86 86 PHE HD1 H 1 7.377 0.004 . 1 . . 1301 . A 187 PHE HD1 . 34384 1 1019 . 1 . 1 86 86 PHE HD2 H 1 7.377 0.004 . 1 . . 1301 . A 187 PHE HD2 . 34384 1 1020 . 1 . 1 86 86 PHE HE1 H 1 7.006 0.008 . 1 . . 1410 . A 187 PHE HE1 . 34384 1 1021 . 1 . 1 86 86 PHE HE2 H 1 7.006 0.008 . 1 . . 1410 . A 187 PHE HE2 . 34384 1 1022 . 1 . 1 86 86 PHE HZ H 1 5.885 0.004 . 1 . . 1413 . A 187 PHE HZ . 34384 1 1023 . 1 . 1 86 86 PHE C C 13 176.258 . . 1 . . 545 . A 187 PHE C . 34384 1 1024 . 1 . 1 86 86 PHE CA C 13 57.725 0.023 . 1 . . 253 . A 187 PHE CA . 34384 1 1025 . 1 . 1 86 86 PHE CB C 13 43.819 0.034 . 1 . . 254 . A 187 PHE CB . 34384 1 1026 . 1 . 1 86 86 PHE CD1 C 13 131.708 0.069 . 1 . . 1302 . A 187 PHE CD1 . 34384 1 1027 . 1 . 1 86 86 PHE CD2 C 13 131.708 0.069 . 1 . . 1302 . A 187 PHE CD2 . 34384 1 1028 . 1 . 1 86 86 PHE CE1 C 13 131.238 0.041 . 1 . . 1411 . A 187 PHE CE1 . 34384 1 1029 . 1 . 1 86 86 PHE CE2 C 13 131.238 0.041 . 1 . . 1411 . A 187 PHE CE2 . 34384 1 1030 . 1 . 1 86 86 PHE CZ C 13 129.080 0.062 . 1 . . 1412 . A 187 PHE CZ . 34384 1 1031 . 1 . 1 86 86 PHE N N 15 120.462 0.043 . 1 . . 226 . A 187 PHE N . 34384 1 1032 . 1 . 1 87 87 ASP H H 1 10.026 0.004 . 1 . . 103 . A 188 ASP H . 34384 1 1033 . 1 . 1 87 87 ASP HA H 1 4.940 0.004 . 1 . . 876 . A 188 ASP HA . 34384 1 1034 . 1 . 1 87 87 ASP HB2 H 1 2.768 0.006 . 2 . . 877 . A 188 ASP HB2 . 34384 1 1035 . 1 . 1 87 87 ASP HB3 H 1 2.987 0.004 . 2 . . 878 . A 188 ASP HB3 . 34384 1 1036 . 1 . 1 87 87 ASP C C 13 175.398 . . 1 . . 546 . A 188 ASP C . 34384 1 1037 . 1 . 1 87 87 ASP CA C 13 55.981 0.04 . 1 . . 251 . A 188 ASP CA . 34384 1 1038 . 1 . 1 87 87 ASP CB C 13 41.842 0.035 . 1 . . 252 . A 188 ASP CB . 34384 1 1039 . 1 . 1 87 87 ASP N N 15 120.499 0.052 . 1 . . 104 . A 188 ASP N . 34384 1 1040 . 1 . 1 88 88 SER H H 1 7.598 0.008 . 1 . . 137 . A 189 SER H . 34384 1 1041 . 1 . 1 88 88 SER HA H 1 4.768 0.003 . 1 . . 1033 . A 189 SER HA . 34384 1 1042 . 1 . 1 88 88 SER HB2 H 1 4.017 0.011 . 2 . . 1034 . A 189 SER HB2 . 34384 1 1043 . 1 . 1 88 88 SER HB3 H 1 4.182 0.014 . 2 . . 1035 . A 189 SER HB3 . 34384 1 1044 . 1 . 1 88 88 SER C C 13 173.898 . . 1 . . 547 . A 189 SER C . 34384 1 1045 . 1 . 1 88 88 SER CA C 13 56.440 0.016 . 1 . . 250 . A 189 SER CA . 34384 1 1046 . 1 . 1 88 88 SER CB C 13 66.595 0.021 . 1 . . 249 . A 189 SER CB . 34384 1 1047 . 1 . 1 88 88 SER N N 15 109.176 0.12 . 1 . . 138 . A 189 SER N . 34384 1 1048 . 1 . 1 89 89 LEU H H 1 8.697 0.004 . 1 . . 131 . A 190 LEU H . 34384 1 1049 . 1 . 1 89 89 LEU HA H 1 3.592 0.005 . 1 . . 638 . A 190 LEU HA . 34384 1 1050 . 1 . 1 89 89 LEU HB2 H 1 1.209 0.009 . 2 . . 643 . A 190 LEU HB2 . 34384 1 1051 . 1 . 1 89 89 LEU HB3 H 1 1.425 0.012 . 2 . . 644 . A 190 LEU HB3 . 34384 1 1052 . 1 . 1 89 89 LEU HG H 1 0.851 0.008 . 1 . . 642 . A 190 LEU HG . 34384 1 1053 . 1 . 1 89 89 LEU HD11 H 1 0.210 0.005 . 2 . . 639 . A 190 LEU HD11 . 34384 1 1054 . 1 . 1 89 89 LEU HD12 H 1 0.210 0.005 . 2 . . 639 . A 190 LEU HD12 . 34384 1 1055 . 1 . 1 89 89 LEU HD13 H 1 0.210 0.005 . 2 . . 639 . A 190 LEU HD13 . 34384 1 1056 . 1 . 1 89 89 LEU HD21 H 1 0.399 0.003 . 2 . . 640 . A 190 LEU HD21 . 34384 1 1057 . 1 . 1 89 89 LEU HD22 H 1 0.399 0.003 . 2 . . 640 . A 190 LEU HD22 . 34384 1 1058 . 1 . 1 89 89 LEU HD23 H 1 0.399 0.003 . 2 . . 640 . A 190 LEU HD23 . 34384 1 1059 . 1 . 1 89 89 LEU C C 13 178.308 . . 1 . . 548 . A 190 LEU C . 34384 1 1060 . 1 . 1 89 89 LEU CA C 13 57.195 0.03 . 1 . . 248 . A 190 LEU CA . 34384 1 1061 . 1 . 1 89 89 LEU CB C 13 42.259 0.038 . 1 . . 247 . A 190 LEU CB . 34384 1 1062 . 1 . 1 89 89 LEU CG C 13 26.505 0.047 . 1 . . 641 . A 190 LEU CG . 34384 1 1063 . 1 . 1 89 89 LEU CD1 C 13 24.622 0.029 . 2 . . 645 . A 190 LEU CD1 . 34384 1 1064 . 1 . 1 89 89 LEU CD2 C 13 24.622 0.027 . 2 . . 646 . A 190 LEU CD2 . 34384 1 1065 . 1 . 1 89 89 LEU N N 15 122.571 0.08 . 1 . . 132 . A 190 LEU N . 34384 1 1066 . 1 . 1 90 90 THR H H 1 7.992 0.008 . 1 . . 1 . A 191 THR H . 34384 1 1067 . 1 . 1 90 90 THR HA H 1 4.040 0.004 . 1 . . 766 . A 191 THR HA . 34384 1 1068 . 1 . 1 90 90 THR HB H 1 4.118 0.01 . 1 . . 767 . A 191 THR HB . 34384 1 1069 . 1 . 1 90 90 THR HG21 H 1 1.392 0.004 . 1 . . 769 . A 191 THR HG21 . 34384 1 1070 . 1 . 1 90 90 THR HG22 H 1 1.392 0.004 . 1 . . 769 . A 191 THR HG22 . 34384 1 1071 . 1 . 1 90 90 THR HG23 H 1 1.392 0.004 . 1 . . 769 . A 191 THR HG23 . 34384 1 1072 . 1 . 1 90 90 THR C C 13 175.399 . . 1 . . 549 . A 191 THR C . 34384 1 1073 . 1 . 1 90 90 THR CA C 13 67.204 0.026 . 1 . . 260 . A 191 THR CA . 34384 1 1074 . 1 . 1 90 90 THR CB C 13 68.718 0.049 . 1 . . 261 . A 191 THR CB . 34384 1 1075 . 1 . 1 90 90 THR CG2 C 13 22.171 0.032 . 1 . . 768 . A 191 THR CG2 . 34384 1 1076 . 1 . 1 90 90 THR N N 15 114.591 0.047 . 1 . . 2 . A 191 THR N . 34384 1 1077 . 1 . 1 91 91 ASP H H 1 7.746 0.011 . 1 . . 229 . A 192 ASP H . 34384 1 1078 . 1 . 1 91 91 ASP HA H 1 4.258 0.008 . 1 . . 879 . A 192 ASP HA . 34384 1 1079 . 1 . 1 91 91 ASP HB2 H 1 2.808 0.009 . 2 . . 880 . A 192 ASP HB2 . 34384 1 1080 . 1 . 1 91 91 ASP HB3 H 1 2.908 0.005 . 2 . . 881 . A 192 ASP HB3 . 34384 1 1081 . 1 . 1 91 91 ASP C C 13 178.021 . . 1 . . 550 . A 192 ASP C . 34384 1 1082 . 1 . 1 91 91 ASP CA C 13 57.243 0.025 . 1 . . 263 . A 192 ASP CA . 34384 1 1083 . 1 . 1 91 91 ASP CB C 13 40.534 0.022 . 1 . . 262 . A 192 ASP CB . 34384 1 1084 . 1 . 1 91 91 ASP N N 15 121.138 0.018 . 1 . . 230 . A 192 ASP N . 34384 1 1085 . 1 . 1 92 92 LEU H H 1 7.025 0.008 . 1 . . 125 . A 193 LEU H . 34384 1 1086 . 1 . 1 92 92 LEU HA H 1 2.251 0.005 . 1 . . 647 . A 193 LEU HA . 34384 1 1087 . 1 . 1 92 92 LEU HB2 H 1 1.758 0.012 . 2 . . 648 . A 193 LEU HB2 . 34384 1 1088 . 1 . 1 92 92 LEU HB3 H 1 1.375 0.009 . 2 . . 654 . A 193 LEU HB3 . 34384 1 1089 . 1 . 1 92 92 LEU HG H 1 1.644 0.01 . 1 . . 649 . A 193 LEU HG . 34384 1 1090 . 1 . 1 92 92 LEU HD11 H 1 0.667 0.003 . 2 . . 651 . A 193 LEU HD11 . 34384 1 1091 . 1 . 1 92 92 LEU HD12 H 1 0.667 0.003 . 2 . . 651 . A 193 LEU HD12 . 34384 1 1092 . 1 . 1 92 92 LEU HD13 H 1 0.667 0.003 . 2 . . 651 . A 193 LEU HD13 . 34384 1 1093 . 1 . 1 92 92 LEU HD21 H 1 1.077 0.006 . 2 . . 653 . A 193 LEU HD21 . 34384 1 1094 . 1 . 1 92 92 LEU HD22 H 1 1.077 0.006 . 2 . . 653 . A 193 LEU HD22 . 34384 1 1095 . 1 . 1 92 92 LEU HD23 H 1 1.077 0.006 . 2 . . 653 . A 193 LEU HD23 . 34384 1 1096 . 1 . 1 92 92 LEU C C 13 177.404 . . 1 . . 551 . A 193 LEU C . 34384 1 1097 . 1 . 1 92 92 LEU CA C 13 59.020 0.038 . 1 . . 265 . A 193 LEU CA . 34384 1 1098 . 1 . 1 92 92 LEU CB C 13 42.063 0.026 . 1 . . 264 . A 193 LEU CB . 34384 1 1099 . 1 . 1 92 92 LEU CG C 13 27.464 0.021 . 1 . . 655 . A 193 LEU CG . 34384 1 1100 . 1 . 1 92 92 LEU CD1 C 13 24.445 0.022 . 2 . . 650 . A 193 LEU CD1 . 34384 1 1101 . 1 . 1 92 92 LEU CD2 C 13 28.881 0.025 . 2 . . 652 . A 193 LEU CD2 . 34384 1 1102 . 1 . 1 92 92 LEU N N 15 122.510 0.011 . 1 . . 126 . A 193 LEU N . 34384 1 1103 . 1 . 1 93 93 VAL H H 1 8.094 0.013 . 1 . . 31 . A 194 VAL H . 34384 1 1104 . 1 . 1 93 93 VAL HA H 1 2.843 0.007 . 1 . . 732 . A 194 VAL HA . 34384 1 1105 . 1 . 1 93 93 VAL HB H 1 1.716 0.01 . 1 . . 737 . A 194 VAL HB . 34384 1 1106 . 1 . 1 93 93 VAL HG11 H 1 0.063 0.009 . 2 . . 734 . A 194 VAL HG11 . 34384 1 1107 . 1 . 1 93 93 VAL HG12 H 1 0.063 0.009 . 2 . . 734 . A 194 VAL HG12 . 34384 1 1108 . 1 . 1 93 93 VAL HG13 H 1 0.063 0.009 . 2 . . 734 . A 194 VAL HG13 . 34384 1 1109 . 1 . 1 93 93 VAL HG21 H 1 0.048 0.009 . 2 . . 736 . A 194 VAL HG21 . 34384 1 1110 . 1 . 1 93 93 VAL HG22 H 1 0.048 0.009 . 2 . . 736 . A 194 VAL HG22 . 34384 1 1111 . 1 . 1 93 93 VAL HG23 H 1 0.048 0.009 . 2 . . 736 . A 194 VAL HG23 . 34384 1 1112 . 1 . 1 93 93 VAL C C 13 177.179 . . 1 . . 552 . A 194 VAL C . 34384 1 1113 . 1 . 1 93 93 VAL CA C 13 67.442 0.038 . 1 . . 267 . A 194 VAL CA . 34384 1 1114 . 1 . 1 93 93 VAL CB C 13 31.371 0.028 . 1 . . 266 . A 194 VAL CB . 34384 1 1115 . 1 . 1 93 93 VAL CG1 C 13 22.569 0.041 . 2 . . 733 . A 194 VAL CG1 . 34384 1 1116 . 1 . 1 93 93 VAL CG2 C 13 20.990 0.022 . 2 . . 735 . A 194 VAL CG2 . 34384 1 1117 . 1 . 1 93 93 VAL N N 15 120.490 0.026 . 1 . . 32 . A 194 VAL N . 34384 1 1118 . 1 . 1 94 94 GLU H H 1 8.263 0.008 . 1 . . 113 . A 195 GLU H . 34384 1 1119 . 1 . 1 94 94 GLU HA H 1 3.787 0.005 . 1 . . 970 . A 195 GLU HA . 34384 1 1120 . 1 . 1 94 94 GLU HB2 H 1 2.006 0.007 . 2 . . 971 . A 195 GLU HB2 . 34384 1 1121 . 1 . 1 94 94 GLU HB3 H 1 2.005 0.007 . 2 . . 1202 . A 195 GLU HB3 . 34384 1 1122 . 1 . 1 94 94 GLU HG2 H 1 2.381 0.005 . 2 . . 973 . A 195 GLU HG2 . 34384 1 1123 . 1 . 1 94 94 GLU HG3 H 1 2.468 0.004 . 2 . . 974 . A 195 GLU HG3 . 34384 1 1124 . 1 . 1 94 94 GLU C C 13 179.666 . . 1 . . 553 . A 195 GLU C . 34384 1 1125 . 1 . 1 94 94 GLU CA C 13 59.135 0.032 . 1 . . 268 . A 195 GLU CA . 34384 1 1126 . 1 . 1 94 94 GLU CB C 13 29.087 0.021 . 1 . . 269 . A 195 GLU CB . 34384 1 1127 . 1 . 1 94 94 GLU CG C 13 36.123 0.029 . 1 . . 972 . A 195 GLU CG . 34384 1 1128 . 1 . 1 94 94 GLU N N 15 116.251 0.023 . 1 . . 114 . A 195 GLU N . 34384 1 1129 . 1 . 1 95 95 HIS H H 1 7.734 0.002 . 1 . . 35 . A 196 HIS H . 34384 1 1130 . 1 . 1 95 95 HIS HA H 1 4.030 0.003 . 1 . . 990 . A 196 HIS HA . 34384 1 1131 . 1 . 1 95 95 HIS HB2 H 1 2.586 0.005 . 2 . . 991 . A 196 HIS HB2 . 34384 1 1132 . 1 . 1 95 95 HIS HB3 H 1 2.810 0.01 . 2 . . 992 . A 196 HIS HB3 . 34384 1 1133 . 1 . 1 95 95 HIS HD1 H 1 4.910 0.01 . 1 . . 1422 . A 196 HIS HD1 . 34384 1 1134 . 1 . 1 95 95 HIS C C 13 178.593 . . 1 . . 554 . A 196 HIS C . 34384 1 1135 . 1 . 1 95 95 HIS CA C 13 60.669 0.036 . 1 . . 270 . A 196 HIS CA . 34384 1 1136 . 1 . 1 95 95 HIS CB C 13 30.716 0.067 . 1 . . 271 . A 196 HIS CB . 34384 1 1137 . 1 . 1 95 95 HIS N N 15 118.667 0.116 . 1 . . 36 . A 196 HIS N . 34384 1 1138 . 1 . 1 96 96 TYR H H 1 7.920 0.015 . 1 . . 107 . A 197 TYR H . 34384 1 1139 . 1 . 1 96 96 TYR HA H 1 4.611 0.003 . 1 . . 1042 . A 197 TYR HA . 34384 1 1140 . 1 . 1 96 96 TYR HB2 H 1 2.273 0.006 . 2 . . 1043 . A 197 TYR HB2 . 34384 1 1141 . 1 . 1 96 96 TYR HB3 H 1 3.252 0.006 . 2 . . 1044 . A 197 TYR HB3 . 34384 1 1142 . 1 . 1 96 96 TYR HD1 H 1 7.468 0.006 . 1 . . 1308 . A 197 TYR HD1 . 34384 1 1143 . 1 . 1 96 96 TYR HD2 H 1 7.468 0.006 . 1 . . 1308 . A 197 TYR HD2 . 34384 1 1144 . 1 . 1 96 96 TYR HE1 H 1 7.024 0.007 . 1 . . 1310 . A 197 TYR HE1 . 34384 1 1145 . 1 . 1 96 96 TYR HE2 H 1 7.024 0.007 . 1 . . 1310 . A 197 TYR HE2 . 34384 1 1146 . 1 . 1 96 96 TYR C C 13 177.372 . . 1 . . 555 . A 197 TYR C . 34384 1 1147 . 1 . 1 96 96 TYR CA C 13 61.423 0.041 . 1 . . 273 . A 197 TYR CA . 34384 1 1148 . 1 . 1 96 96 TYR CB C 13 36.777 0.029 . 1 . . 272 . A 197 TYR CB . 34384 1 1149 . 1 . 1 96 96 TYR CD1 C 13 134.188 0.066 . 1 . . 1307 . A 197 TYR CD1 . 34384 1 1150 . 1 . 1 96 96 TYR CD2 C 13 134.188 0.066 . 1 . . 1307 . A 197 TYR CD2 . 34384 1 1151 . 1 . 1 96 96 TYR CE1 C 13 118.010 0.046 . 1 . . 1309 . A 197 TYR CE1 . 34384 1 1152 . 1 . 1 96 96 TYR CE2 C 13 118.010 0.046 . 1 . . 1309 . A 197 TYR CE2 . 34384 1 1153 . 1 . 1 96 96 TYR N N 15 117.696 0.016 . 1 . . 108 . A 197 TYR N . 34384 1 1154 . 1 . 1 97 97 LYS H H 1 8.068 0.006 . 1 . . 135 . A 198 LYS H . 34384 1 1155 . 1 . 1 97 97 LYS HA H 1 4.142 0.003 . 1 . . 1135 . A 198 LYS HA . 34384 1 1156 . 1 . 1 97 97 LYS HB2 H 1 1.740 0.006 . 2 . . 1139 . A 198 LYS HB2 . 34384 1 1157 . 1 . 1 97 97 LYS HB3 H 1 1.835 0.003 . 2 . . 1140 . A 198 LYS HB3 . 34384 1 1158 . 1 . 1 97 97 LYS HG2 H 1 1.475 0.004 . 2 . . 1144 . A 198 LYS HG2 . 34384 1 1159 . 1 . 1 97 97 LYS HG3 H 1 1.182 0.003 . 2 . . 1145 . A 198 LYS HG3 . 34384 1 1160 . 1 . 1 97 97 LYS HD2 H 1 1.499 0.006 . 2 . . 1142 . A 198 LYS HD2 . 34384 1 1161 . 1 . 1 97 97 LYS HD3 H 1 1.499 0.006 . 2 . . 1146 . A 198 LYS HD3 . 34384 1 1162 . 1 . 1 97 97 LYS HE2 H 1 2.727 0.003 . 2 . . 1137 . A 198 LYS HE2 . 34384 1 1163 . 1 . 1 97 97 LYS HE3 H 1 2.865 0.004 . 2 . . 1138 . A 198 LYS HE3 . 34384 1 1164 . 1 . 1 97 97 LYS C C 13 178.121 . . 1 . . 556 . A 198 LYS C . 34384 1 1165 . 1 . 1 97 97 LYS CA C 13 59.105 0.024 . 1 . . 274 . A 198 LYS CA . 34384 1 1166 . 1 . 1 97 97 LYS CB C 13 33.166 0.023 . 1 . . 275 . A 198 LYS CB . 34384 1 1167 . 1 . 1 97 97 LYS CG C 13 25.225 0.026 . 1 . . 1143 . A 198 LYS CG . 34384 1 1168 . 1 . 1 97 97 LYS CD C 13 30.232 0.023 . 1 . . 1141 . A 198 LYS CD . 34384 1 1169 . 1 . 1 97 97 LYS CE C 13 41.520 0.033 . 1 . . 1136 . A 198 LYS CE . 34384 1 1170 . 1 . 1 97 97 LYS N N 15 121.958 0.027 . 1 . . 136 . A 198 LYS N . 34384 1 1171 . 1 . 1 98 98 LYS H H 1 6.859 0.008 . 1 . . 89 . A 199 LYS H . 34384 1 1172 . 1 . 1 98 98 LYS HA H 1 4.173 0.003 . 1 . . 1147 . A 199 LYS HA . 34384 1 1173 . 1 . 1 98 98 LYS HB2 H 1 1.780 0.011 . 2 . . 1151 . A 199 LYS HB2 . 34384 1 1174 . 1 . 1 98 98 LYS HB3 H 1 1.665 0.005 . 2 . . 1152 . A 199 LYS HB3 . 34384 1 1175 . 1 . 1 98 98 LYS HG2 H 1 1.379 0.008 . 2 . . 1156 . A 199 LYS HG2 . 34384 1 1176 . 1 . 1 98 98 LYS HG3 H 1 1.476 0.003 . 2 . . 1157 . A 199 LYS HG3 . 34384 1 1177 . 1 . 1 98 98 LYS HD2 H 1 1.656 0.001 . 2 . . 1154 . A 199 LYS HD2 . 34384 1 1178 . 1 . 1 98 98 LYS HD3 H 1 1.655 0.001 . 2 . . 1158 . A 199 LYS HD3 . 34384 1 1179 . 1 . 1 98 98 LYS HE2 H 1 2.977 0.002 . 1 . . 1149 . A 199 LYS HE2 . 34384 1 1180 . 1 . 1 98 98 LYS HE3 H 1 2.977 0.002 . 1 . . 1150 . A 199 LYS HE3 . 34384 1 1181 . 1 . 1 98 98 LYS C C 13 175.974 . . 1 . . 557 . A 199 LYS C . 34384 1 1182 . 1 . 1 98 98 LYS CA C 13 57.336 0.027 . 1 . . 277 . A 199 LYS CA . 34384 1 1183 . 1 . 1 98 98 LYS CB C 13 33.838 0.041 . 1 . . 276 . A 199 LYS CB . 34384 1 1184 . 1 . 1 98 98 LYS CG C 13 25.251 0.032 . 1 . . 1155 . A 199 LYS CG . 34384 1 1185 . 1 . 1 98 98 LYS CD C 13 29.148 0.041 . 1 . . 1153 . A 199 LYS CD . 34384 1 1186 . 1 . 1 98 98 LYS CE C 13 42.110 0.002 . 1 . . 1148 . A 199 LYS CE . 34384 1 1187 . 1 . 1 98 98 LYS N N 15 117.171 0.064 . 1 . . 90 . A 199 LYS N . 34384 1 1188 . 1 . 1 99 99 ASN H H 1 7.543 0.012 . 1 . . 115 . A 200 ASN H . 34384 1 1189 . 1 . 1 99 99 ASN HA H 1 5.068 0.004 . 1 . . 857 . A 200 ASN HA . 34384 1 1190 . 1 . 1 99 99 ASN HB2 H 1 2.120 0.008 . 2 . . 855 . A 200 ASN HB2 . 34384 1 1191 . 1 . 1 99 99 ASN HB3 H 1 2.309 0.01 . 2 . . 856 . A 200 ASN HB3 . 34384 1 1192 . 1 . 1 99 99 ASN HD21 H 1 6.965 0.004 . 1 . . 1205 . A 200 ASN HD21 . 34384 1 1193 . 1 . 1 99 99 ASN HD22 H 1 6.310 0.033 . 1 . . 1207 . A 200 ASN HD22 . 34384 1 1194 . 1 . 1 99 99 ASN CA C 13 50.366 0.022 . 1 . . 432 . A 200 ASN CA . 34384 1 1195 . 1 . 1 99 99 ASN CB C 13 40.152 0.043 . 1 . . 433 . A 200 ASN CB . 34384 1 1196 . 1 . 1 99 99 ASN N N 15 117.601 0.053 . 1 . . 116 . A 200 ASN N . 34384 1 1197 . 1 . 1 99 99 ASN ND2 N 15 116.088 0.011 . 1 . . 1206 . A 200 ASN ND2 . 34384 1 1198 . 1 . 1 100 100 PRO HA H 1 4.715 0.005 . 1 . . 1235 . A 201 PRO HA . 34384 1 1199 . 1 . 1 100 100 PRO HB2 H 1 2.098 0.002 . 2 . . 1236 . A 201 PRO HB2 . 34384 1 1200 . 1 . 1 100 100 PRO HB3 H 1 1.653 0.005 . 2 . . 1237 . A 201 PRO HB3 . 34384 1 1201 . 1 . 1 100 100 PRO HG2 H 1 1.956 0.006 . 2 . . 1242 . A 201 PRO HG2 . 34384 1 1202 . 1 . 1 100 100 PRO HG3 H 1 1.956 0.006 . 2 . . 1243 . A 201 PRO HG3 . 34384 1 1203 . 1 . 1 100 100 PRO HD2 H 1 3.457 0.004 . 2 . . 1239 . A 201 PRO HD2 . 34384 1 1204 . 1 . 1 100 100 PRO HD3 H 1 3.654 0.004 . 2 . . 1240 . A 201 PRO HD3 . 34384 1 1205 . 1 . 1 100 100 PRO C C 13 177.313 . . 1 . . 565 . A 201 PRO C . 34384 1 1206 . 1 . 1 100 100 PRO CA C 13 63.311 0.039 . 1 . . 561 . A 201 PRO CA . 34384 1 1207 . 1 . 1 100 100 PRO CB C 13 32.212 0.03 . 1 . . 560 . A 201 PRO CB . 34384 1 1208 . 1 . 1 100 100 PRO CG C 13 27.023 0.028 . 1 . . 1241 . A 201 PRO CG . 34384 1 1209 . 1 . 1 100 100 PRO CD C 13 50.223 0.018 . 1 . . 1238 . A 201 PRO CD . 34384 1 1210 . 1 . 1 101 101 MET H H 1 8.833 0.005 . 1 . . 49 . A 202 MET H . 34384 1 1211 . 1 . 1 101 101 MET HA H 1 4.416 0.004 . 1 . . 802 . A 202 MET HA . 34384 1 1212 . 1 . 1 101 101 MET HB2 H 1 1.904 0.007 . 2 . . 806 . A 202 MET HB2 . 34384 1 1213 . 1 . 1 101 101 MET HB3 H 1 1.818 0.009 . 2 . . 807 . A 202 MET HB3 . 34384 1 1214 . 1 . 1 101 101 MET HG2 H 1 2.274 0.005 . 2 . . 804 . A 202 MET HG2 . 34384 1 1215 . 1 . 1 101 101 MET HG3 H 1 2.292 0.01 . 2 . . 805 . A 202 MET HG3 . 34384 1 1216 . 1 . 1 101 101 MET HE1 H 1 1.439 0.007 . 1 . . 1282 . A 202 MET HE1 . 34384 1 1217 . 1 . 1 101 101 MET HE2 H 1 1.439 0.007 . 1 . . 1282 . A 202 MET HE2 . 34384 1 1218 . 1 . 1 101 101 MET HE3 H 1 1.439 0.007 . 1 . . 1282 . A 202 MET HE3 . 34384 1 1219 . 1 . 1 101 101 MET C C 13 173.655 . . 1 . . 566 . A 202 MET C . 34384 1 1220 . 1 . 1 101 101 MET CA C 13 55.242 0.047 . 1 . . 431 . A 202 MET CA . 34384 1 1221 . 1 . 1 101 101 MET CB C 13 36.568 0.044 . 1 . . 430 . A 202 MET CB . 34384 1 1222 . 1 . 1 101 101 MET CG C 13 32.959 0.011 . 1 . . 803 . A 202 MET CG . 34384 1 1223 . 1 . 1 101 101 MET CE C 13 16.525 0.018 . 1 . . 1283 . A 202 MET CE . 34384 1 1224 . 1 . 1 101 101 MET N N 15 122.357 0.065 . 1 . . 50 . A 202 MET N . 34384 1 1225 . 1 . 1 102 102 VAL H H 1 8.463 0.004 . 1 . . 151 . A 203 VAL H . 34384 1 1226 . 1 . 1 102 102 VAL HA H 1 4.712 0.005 . 1 . . 738 . A 203 VAL HA . 34384 1 1227 . 1 . 1 102 102 VAL HB H 1 1.790 0.004 . 1 . . 743 . A 203 VAL HB . 34384 1 1228 . 1 . 1 102 102 VAL HG11 H 1 0.828 0.007 . 2 . . 740 . A 203 VAL HG11 . 34384 1 1229 . 1 . 1 102 102 VAL HG12 H 1 0.828 0.007 . 2 . . 740 . A 203 VAL HG12 . 34384 1 1230 . 1 . 1 102 102 VAL HG13 H 1 0.828 0.007 . 2 . . 740 . A 203 VAL HG13 . 34384 1 1231 . 1 . 1 102 102 VAL HG21 H 1 0.868 0.004 . 2 . . 742 . A 203 VAL HG21 . 34384 1 1232 . 1 . 1 102 102 VAL HG22 H 1 0.868 0.004 . 2 . . 742 . A 203 VAL HG22 . 34384 1 1233 . 1 . 1 102 102 VAL HG23 H 1 0.868 0.004 . 2 . . 742 . A 203 VAL HG23 . 34384 1 1234 . 1 . 1 102 102 VAL C C 13 174.604 . . 1 . . 567 . A 203 VAL C . 34384 1 1235 . 1 . 1 102 102 VAL CA C 13 60.782 0.039 . 1 . . 429 . A 203 VAL CA . 34384 1 1236 . 1 . 1 102 102 VAL CB C 13 34.431 0.023 . 1 . . 428 . A 203 VAL CB . 34384 1 1237 . 1 . 1 102 102 VAL CG1 C 13 20.720 0.032 . 2 . . 739 . A 203 VAL CG1 . 34384 1 1238 . 1 . 1 102 102 VAL CG2 C 13 21.626 0.037 . 2 . . 741 . A 203 VAL CG2 . 34384 1 1239 . 1 . 1 102 102 VAL N N 15 120.947 0.024 . 1 . . 152 . A 203 VAL N . 34384 1 1240 . 1 . 1 103 103 GLU H H 1 8.112 0.003 . 1 . . 149 . A 204 GLU H . 34384 1 1241 . 1 . 1 103 103 GLU HA H 1 5.374 0.005 . 1 . . 975 . A 204 GLU HA . 34384 1 1242 . 1 . 1 103 103 GLU HB2 H 1 1.744 0.004 . 2 . . 979 . A 204 GLU HB2 . 34384 1 1243 . 1 . 1 103 103 GLU HB3 H 1 2.563 0.007 . 2 . . 980 . A 204 GLU HB3 . 34384 1 1244 . 1 . 1 103 103 GLU HG2 H 1 2.153 0.004 . 2 . . 977 . A 204 GLU HG2 . 34384 1 1245 . 1 . 1 103 103 GLU HG3 H 1 2.551 0.006 . 2 . . 978 . A 204 GLU HG3 . 34384 1 1246 . 1 . 1 103 103 GLU C C 13 178.909 . . 1 . . 568 . A 204 GLU C . 34384 1 1247 . 1 . 1 103 103 GLU CA C 13 54.173 0.02 . 1 . . 427 . A 204 GLU CA . 34384 1 1248 . 1 . 1 103 103 GLU CB C 13 31.835 0.035 . 1 . . 426 . A 204 GLU CB . 34384 1 1249 . 1 . 1 103 103 GLU CG C 13 35.300 0.022 . 1 . . 976 . A 204 GLU CG . 34384 1 1250 . 1 . 1 103 103 GLU N N 15 121.908 0.026 . 1 . . 150 . A 204 GLU N . 34384 1 1251 . 1 . 1 104 104 THR H H 1 8.328 0.003 . 1 . . 23 . A 205 THR H . 34384 1 1252 . 1 . 1 104 104 THR HA H 1 3.739 0.003 . 1 . . 771 . A 205 THR HA . 34384 1 1253 . 1 . 1 104 104 THR HB H 1 4.164 0.005 . 1 . . 770 . A 205 THR HB . 34384 1 1254 . 1 . 1 104 104 THR HG21 H 1 1.249 0.003 . 1 . . 773 . A 205 THR HG21 . 34384 1 1255 . 1 . 1 104 104 THR HG22 H 1 1.249 0.003 . 1 . . 773 . A 205 THR HG22 . 34384 1 1256 . 1 . 1 104 104 THR HG23 H 1 1.249 0.003 . 1 . . 773 . A 205 THR HG23 . 34384 1 1257 . 1 . 1 104 104 THR C C 13 175.720 . . 1 . . 569 . A 205 THR C . 34384 1 1258 . 1 . 1 104 104 THR CA C 13 66.037 0.028 . 1 . . 408 . A 205 THR CA . 34384 1 1259 . 1 . 1 104 104 THR CB C 13 69.301 0.038 . 1 . . 407 . A 205 THR CB . 34384 1 1260 . 1 . 1 104 104 THR CG2 C 13 22.766 0.018 . 1 . . 772 . A 205 THR CG2 . 34384 1 1261 . 1 . 1 104 104 THR N N 15 114.261 0.021 . 1 . . 24 . A 205 THR N . 34384 1 1262 . 1 . 1 105 105 LEU H H 1 8.443 0.005 . 1 . . 237 . A 206 LEU H . 34384 1 1263 . 1 . 1 105 105 LEU HA H 1 4.414 0.006 . 1 . . 656 . A 206 LEU HA . 34384 1 1264 . 1 . 1 105 105 LEU HB2 H 1 1.684 0.01 . 2 . . 657 . A 206 LEU HB2 . 34384 1 1265 . 1 . 1 105 105 LEU HB3 H 1 2.295 0.005 . 2 . . 658 . A 206 LEU HB3 . 34384 1 1266 . 1 . 1 105 105 LEU HG H 1 1.693 0.006 . 1 . . 663 . A 206 LEU HG . 34384 1 1267 . 1 . 1 105 105 LEU HD11 H 1 0.859 0.006 . 2 . . 660 . A 206 LEU HD11 . 34384 1 1268 . 1 . 1 105 105 LEU HD12 H 1 0.859 0.006 . 2 . . 660 . A 206 LEU HD12 . 34384 1 1269 . 1 . 1 105 105 LEU HD13 H 1 0.859 0.006 . 2 . . 660 . A 206 LEU HD13 . 34384 1 1270 . 1 . 1 105 105 LEU HD21 H 1 0.950 0.003 . 2 . . 662 . A 206 LEU HD21 . 34384 1 1271 . 1 . 1 105 105 LEU HD22 H 1 0.950 0.003 . 2 . . 662 . A 206 LEU HD22 . 34384 1 1272 . 1 . 1 105 105 LEU HD23 H 1 0.950 0.003 . 2 . . 662 . A 206 LEU HD23 . 34384 1 1273 . 1 . 1 105 105 LEU C C 13 178.286 . . 1 . . 570 . A 206 LEU C . 34384 1 1274 . 1 . 1 105 105 LEU CA C 13 55.829 0.018 . 1 . . 410 . A 206 LEU CA . 34384 1 1275 . 1 . 1 105 105 LEU CB C 13 40.273 0.025 . 1 . . 409 . A 206 LEU CB . 34384 1 1276 . 1 . 1 105 105 LEU CG C 13 27.369 0.05 . 1 . . 659 . A 206 LEU CG . 34384 1 1277 . 1 . 1 105 105 LEU CD1 C 13 22.759 0.063 . 2 . . 671 . A 206 LEU CD1 . 34384 1 1278 . 1 . 1 105 105 LEU CD2 C 13 25.215 0.026 . 2 . . 661 . A 206 LEU CD2 . 34384 1 1279 . 1 . 1 105 105 LEU N N 15 120.666 0.069 . 1 . . 238 . A 206 LEU N . 34384 1 1280 . 1 . 1 106 106 GLY H H 1 8.186 0.004 . 1 . . 45 . A 207 GLY H . 34384 1 1281 . 1 . 1 106 106 GLY HA2 H 1 3.497 0.003 . 2 . . 923 . A 207 GLY HA2 . 34384 1 1282 . 1 . 1 106 106 GLY HA3 H 1 4.341 0.004 . 2 . . 924 . A 207 GLY HA3 . 34384 1 1283 . 1 . 1 106 106 GLY C C 13 174.637 . . 1 . . 571 . A 207 GLY C . 34384 1 1284 . 1 . 1 106 106 GLY CA C 13 45.253 0.018 . 1 . . 411 . A 207 GLY CA . 34384 1 1285 . 1 . 1 106 106 GLY N N 15 107.467 0.045 . 1 . . 46 . A 207 GLY N . 34384 1 1286 . 1 . 1 107 107 THR H H 1 8.621 0.011 . 1 . . 179 . A 208 THR H . 34384 1 1287 . 1 . 1 107 107 THR HA H 1 4.085 0.004 . 1 . . 774 . A 208 THR HA . 34384 1 1288 . 1 . 1 107 107 THR HB H 1 4.142 0.01 . 1 . . 775 . A 208 THR HB . 34384 1 1289 . 1 . 1 107 107 THR HG21 H 1 1.138 0.009 . 1 . . 777 . A 208 THR HG21 . 34384 1 1290 . 1 . 1 107 107 THR HG22 H 1 1.138 0.009 . 1 . . 777 . A 208 THR HG22 . 34384 1 1291 . 1 . 1 107 107 THR HG23 H 1 1.138 0.009 . 1 . . 777 . A 208 THR HG23 . 34384 1 1292 . 1 . 1 107 107 THR C C 13 172.965 . . 1 . . 572 . A 208 THR C . 34384 1 1293 . 1 . 1 107 107 THR CA C 13 64.136 0.029 . 1 . . 412 . A 208 THR CA . 34384 1 1294 . 1 . 1 107 107 THR CB C 13 68.677 0.031 . 1 . . 413 . A 208 THR CB . 34384 1 1295 . 1 . 1 107 107 THR CG2 C 13 22.348 0.031 . 1 . . 776 . A 208 THR CG2 . 34384 1 1296 . 1 . 1 107 107 THR N N 15 119.489 0.049 . 1 . . 180 . A 208 THR N . 34384 1 1297 . 1 . 1 108 108 VAL H H 1 8.537 0.005 . 1 . . 29 . A 209 VAL H . 34384 1 1298 . 1 . 1 108 108 VAL HA H 1 4.296 0.009 . 1 . . 744 . A 209 VAL HA . 34384 1 1299 . 1 . 1 108 108 VAL HB H 1 2.055 0.004 . 1 . . 749 . A 209 VAL HB . 34384 1 1300 . 1 . 1 108 108 VAL HG11 H 1 1.010 0.005 . 2 . . 746 . A 209 VAL HG11 . 34384 1 1301 . 1 . 1 108 108 VAL HG12 H 1 1.010 0.005 . 2 . . 746 . A 209 VAL HG12 . 34384 1 1302 . 1 . 1 108 108 VAL HG13 H 1 1.010 0.005 . 2 . . 746 . A 209 VAL HG13 . 34384 1 1303 . 1 . 1 108 108 VAL HG21 H 1 0.836 0.004 . 2 . . 748 . A 209 VAL HG21 . 34384 1 1304 . 1 . 1 108 108 VAL HG22 H 1 0.836 0.004 . 2 . . 748 . A 209 VAL HG22 . 34384 1 1305 . 1 . 1 108 108 VAL HG23 H 1 0.836 0.004 . 2 . . 748 . A 209 VAL HG23 . 34384 1 1306 . 1 . 1 108 108 VAL C C 13 176.205 . . 1 . . 573 . A 209 VAL C . 34384 1 1307 . 1 . 1 108 108 VAL CA C 13 62.159 0.021 . 1 . . 415 . A 209 VAL CA . 34384 1 1308 . 1 . 1 108 108 VAL CB C 13 32.060 0.015 . 1 . . 414 . A 209 VAL CB . 34384 1 1309 . 1 . 1 108 108 VAL CG1 C 13 21.202 0.024 . 2 . . 745 . A 209 VAL CG1 . 34384 1 1310 . 1 . 1 108 108 VAL CG2 C 13 21.523 0.031 . 2 . . 747 . A 209 VAL CG2 . 34384 1 1311 . 1 . 1 108 108 VAL N N 15 126.993 0.05 . 1 . . 30 . A 209 VAL N . 34384 1 1312 . 1 . 1 109 109 LEU H H 1 9.162 0.003 . 1 . . 33 . A 210 LEU H . 34384 1 1313 . 1 . 1 109 109 LEU HA H 1 4.267 0.006 . 1 . . 664 . A 210 LEU HA . 34384 1 1314 . 1 . 1 109 109 LEU HB2 H 1 0.962 0.006 . 2 . . 667 . A 210 LEU HB2 . 34384 1 1315 . 1 . 1 109 109 LEU HB3 H 1 1.711 0.008 . 2 . . 668 . A 210 LEU HB3 . 34384 1 1316 . 1 . 1 109 109 LEU HG H 1 1.425 0.006 . 1 . . 670 . A 210 LEU HG . 34384 1 1317 . 1 . 1 109 109 LEU HD11 H 1 0.568 0.005 . 2 . . 665 . A 210 LEU HD11 . 34384 1 1318 . 1 . 1 109 109 LEU HD12 H 1 0.568 0.005 . 2 . . 665 . A 210 LEU HD12 . 34384 1 1319 . 1 . 1 109 109 LEU HD13 H 1 0.568 0.005 . 2 . . 665 . A 210 LEU HD13 . 34384 1 1320 . 1 . 1 109 109 LEU HD21 H 1 0.581 0.005 . 2 . . 666 . A 210 LEU HD21 . 34384 1 1321 . 1 . 1 109 109 LEU HD22 H 1 0.581 0.005 . 2 . . 666 . A 210 LEU HD22 . 34384 1 1322 . 1 . 1 109 109 LEU HD23 H 1 0.581 0.005 . 2 . . 666 . A 210 LEU HD23 . 34384 1 1323 . 1 . 1 109 109 LEU C C 13 174.347 . . 1 . . 574 . A 210 LEU C . 34384 1 1324 . 1 . 1 109 109 LEU CA C 13 53.227 0.042 . 1 . . 416 . A 210 LEU CA . 34384 1 1325 . 1 . 1 109 109 LEU CB C 13 39.791 0.027 . 1 . . 417 . A 210 LEU CB . 34384 1 1326 . 1 . 1 109 109 LEU CG C 13 26.890 0.028 . 1 . . 669 . A 210 LEU CG . 34384 1 1327 . 1 . 1 109 109 LEU CD1 C 13 24.376 0.022 . 2 . . 1423 . A 210 LEU CD1 . 34384 1 1328 . 1 . 1 109 109 LEU CD2 C 13 25.877 0.032 . 2 . . 1424 . A 210 LEU CD2 . 34384 1 1329 . 1 . 1 109 109 LEU N N 15 130.912 0.047 . 1 . . 34 . A 210 LEU N . 34384 1 1330 . 1 . 1 110 110 GLN H H 1 7.337 0.005 . 1 . . 165 . A 211 GLN H . 34384 1 1331 . 1 . 1 110 110 GLN HA H 1 4.272 0.006 . 1 . . 895 . A 211 GLN HA . 34384 1 1332 . 1 . 1 110 110 GLN HB2 H 1 1.797 0.011 . 2 . . 899 . A 211 GLN HB2 . 34384 1 1333 . 1 . 1 110 110 GLN HB3 H 1 1.839 0.006 . 2 . . 900 . A 211 GLN HB3 . 34384 1 1334 . 1 . 1 110 110 GLN HG2 H 1 2.126 0.003 . 2 . . 897 . A 211 GLN HG2 . 34384 1 1335 . 1 . 1 110 110 GLN HG3 H 1 2.269 0.005 . 2 . . 898 . A 211 GLN HG3 . 34384 1 1336 . 1 . 1 110 110 GLN HE21 H 1 7.522 0.005 . 1 . . 1221 . A 211 GLN HE21 . 34384 1 1337 . 1 . 1 110 110 GLN HE22 H 1 6.929 0.002 . 1 . . 1222 . A 211 GLN HE22 . 34384 1 1338 . 1 . 1 110 110 GLN C C 13 174.329 . . 1 . . 575 . A 211 GLN C . 34384 1 1339 . 1 . 1 110 110 GLN CA C 13 55.545 0.022 . 1 . . 419 . A 211 GLN CA . 34384 1 1340 . 1 . 1 110 110 GLN CB C 13 29.883 0.039 . 1 . . 418 . A 211 GLN CB . 34384 1 1341 . 1 . 1 110 110 GLN CG C 13 34.064 0.034 . 1 . . 896 . A 211 GLN CG . 34384 1 1342 . 1 . 1 110 110 GLN N N 15 121.872 0.028 . 1 . . 166 . A 211 GLN N . 34384 1 1343 . 1 . 1 110 110 GLN NE2 N 15 111.626 0.021 . 1 . . 1220 . A 211 GLN NE2 . 34384 1 1344 . 1 . 1 111 111 LEU H H 1 8.827 0.005 . 1 . . 235 . A 212 LEU H . 34384 1 1345 . 1 . 1 111 111 LEU HA H 1 4.265 0.007 . 1 . . 672 . A 212 LEU HA . 34384 1 1346 . 1 . 1 111 111 LEU HB2 H 1 0.338 0.005 . 2 . . 673 . A 212 LEU HB2 . 34384 1 1347 . 1 . 1 111 111 LEU HB3 H 1 1.385 0.011 . 2 . . 674 . A 212 LEU HB3 . 34384 1 1348 . 1 . 1 111 111 LEU HG H 1 1.299 0.004 . 1 . . 676 . A 212 LEU HG . 34384 1 1349 . 1 . 1 111 111 LEU HD11 H 1 0.114 0.007 . 2 . . 678 . A 212 LEU HD11 . 34384 1 1350 . 1 . 1 111 111 LEU HD12 H 1 0.114 0.007 . 2 . . 678 . A 212 LEU HD12 . 34384 1 1351 . 1 . 1 111 111 LEU HD13 H 1 0.114 0.007 . 2 . . 678 . A 212 LEU HD13 . 34384 1 1352 . 1 . 1 111 111 LEU HD21 H 1 0.105 0.007 . 2 . . 680 . A 212 LEU HD21 . 34384 1 1353 . 1 . 1 111 111 LEU HD22 H 1 0.105 0.007 . 2 . . 680 . A 212 LEU HD22 . 34384 1 1354 . 1 . 1 111 111 LEU HD23 H 1 0.105 0.007 . 2 . . 680 . A 212 LEU HD23 . 34384 1 1355 . 1 . 1 111 111 LEU C C 13 176.193 . . 1 . . 576 . A 212 LEU C . 34384 1 1356 . 1 . 1 111 111 LEU CA C 13 53.382 0.059 . 1 . . 421 . A 212 LEU CA . 34384 1 1357 . 1 . 1 111 111 LEU CB C 13 39.972 0.031 . 1 . . 420 . A 212 LEU CB . 34384 1 1358 . 1 . 1 111 111 LEU CG C 13 26.464 0.025 . 1 . . 675 . A 212 LEU CG . 34384 1 1359 . 1 . 1 111 111 LEU CD1 C 13 23.551 0.022 . 2 . . 677 . A 212 LEU CD1 . 34384 1 1360 . 1 . 1 111 111 LEU CD2 C 13 24.906 0.02 . 2 . . 679 . A 212 LEU CD2 . 34384 1 1361 . 1 . 1 111 111 LEU N N 15 124.903 0.048 . 1 . . 236 . A 212 LEU N . 34384 1 1362 . 1 . 1 112 112 LYS H H 1 9.380 0.005 . 1 . . 47 . A 213 LYS H . 34384 1 1363 . 1 . 1 112 112 LYS HA H 1 4.443 0.005 . 1 . . 1159 . A 213 LYS HA . 34384 1 1364 . 1 . 1 112 112 LYS HB2 H 1 1.939 0.004 . 2 . . 1163 . A 213 LYS HB2 . 34384 1 1365 . 1 . 1 112 112 LYS HB3 H 1 1.624 0.007 . 2 . . 1164 . A 213 LYS HB3 . 34384 1 1366 . 1 . 1 112 112 LYS HG2 H 1 1.366 0.005 . 2 . . 1168 . A 213 LYS HG2 . 34384 1 1367 . 1 . 1 112 112 LYS HG3 H 1 1.366 0.004 . 2 . . 1169 . A 213 LYS HG3 . 34384 1 1368 . 1 . 1 112 112 LYS HD2 H 1 1.738 0.008 . 2 . . 1166 . A 213 LYS HD2 . 34384 1 1369 . 1 . 1 112 112 LYS HD3 H 1 1.738 0.008 . 2 . . 1170 . A 213 LYS HD3 . 34384 1 1370 . 1 . 1 112 112 LYS HE2 H 1 2.991 0.01 . 2 . . 1161 . A 213 LYS HE2 . 34384 1 1371 . 1 . 1 112 112 LYS HE3 H 1 2.991 0.01 . 2 . . 1162 . A 213 LYS HE3 . 34384 1 1372 . 1 . 1 112 112 LYS C C 13 176.323 . . 1 . . 577 . A 213 LYS C . 34384 1 1373 . 1 . 1 112 112 LYS CA C 13 57.571 0.023 . 1 . . 423 . A 213 LYS CA . 34384 1 1374 . 1 . 1 112 112 LYS CB C 13 33.434 0.035 . 1 . . 422 . A 213 LYS CB . 34384 1 1375 . 1 . 1 112 112 LYS CG C 13 25.360 0.008 . 1 . . 1167 . A 213 LYS CG . 34384 1 1376 . 1 . 1 112 112 LYS CD C 13 28.712 0.037 . 1 . . 1165 . A 213 LYS CD . 34384 1 1377 . 1 . 1 112 112 LYS CE C 13 41.855 0.012 . 1 . . 1160 . A 213 LYS CE . 34384 1 1378 . 1 . 1 112 112 LYS N N 15 123.306 0.058 . 1 . . 48 . A 213 LYS N . 34384 1 1379 . 1 . 1 113 113 GLN H H 1 7.543 0.007 . 1 . . 9 . A 214 GLN H . 34384 1 1380 . 1 . 1 113 113 GLN HA H 1 4.965 0.004 . 1 . . 1189 . A 214 GLN HA . 34384 1 1381 . 1 . 1 113 113 GLN HB2 H 1 1.931 0.007 . 2 . . 1187 . A 214 GLN HB2 . 34384 1 1382 . 1 . 1 113 113 GLN HB3 H 1 2.394 0.004 . 2 . . 1188 . A 214 GLN HB3 . 34384 1 1383 . 1 . 1 113 113 GLN HG2 H 1 2.310 0.005 . 2 . . 1191 . A 214 GLN HG2 . 34384 1 1384 . 1 . 1 113 113 GLN HG3 H 1 2.310 0.005 . 2 . . 1192 . A 214 GLN HG3 . 34384 1 1385 . 1 . 1 113 113 GLN HE21 H 1 7.279 0.005 . 1 . . 1215 . A 214 GLN HE21 . 34384 1 1386 . 1 . 1 113 113 GLN HE22 H 1 6.624 0.005 . 1 . . 1216 . A 214 GLN HE22 . 34384 1 1387 . 1 . 1 113 113 GLN CA C 13 53.438 0.024 . 1 . . 424 . A 214 GLN CA . 34384 1 1388 . 1 . 1 113 113 GLN CB C 13 28.704 0.018 . 1 . . 425 . A 214 GLN CB . 34384 1 1389 . 1 . 1 113 113 GLN CG C 13 32.248 0.018 . 1 . . 1190 . A 214 GLN CG . 34384 1 1390 . 1 . 1 113 113 GLN N N 15 114.604 0.03 . 1 . . 10 . A 214 GLN N . 34384 1 1391 . 1 . 1 113 113 GLN NE2 N 15 112.561 0.014 . 1 . . 1214 . A 214 GLN NE2 . 34384 1 1392 . 1 . 1 114 114 PRO HA H 1 3.283 0.005 . 1 . . 1253 . A 215 PRO HA . 34384 1 1393 . 1 . 1 114 114 PRO HB2 H 1 1.730 0.004 . 2 . . 1260 . A 215 PRO HB2 . 34384 1 1394 . 1 . 1 114 114 PRO HB3 H 1 1.834 0.01 . 2 . . 1261 . A 215 PRO HB3 . 34384 1 1395 . 1 . 1 114 114 PRO HG2 H 1 2.067 0.004 . 2 . . 1258 . A 215 PRO HG2 . 34384 1 1396 . 1 . 1 114 114 PRO HG3 H 1 2.148 0.006 . 2 . . 1259 . A 215 PRO HG3 . 34384 1 1397 . 1 . 1 114 114 PRO HD2 H 1 3.825 0.007 . 2 . . 1255 . A 215 PRO HD2 . 34384 1 1398 . 1 . 1 114 114 PRO HD3 H 1 3.689 0.005 . 2 . . 1256 . A 215 PRO HD3 . 34384 1 1399 . 1 . 1 114 114 PRO C C 13 176.686 . . 1 . . 578 . A 215 PRO C . 34384 1 1400 . 1 . 1 114 114 PRO CA C 13 61.521 0.034 . 1 . . 444 . A 215 PRO CA . 34384 1 1401 . 1 . 1 114 114 PRO CB C 13 32.903 0.031 . 1 . . 445 . A 215 PRO CB . 34384 1 1402 . 1 . 1 114 114 PRO CG C 13 27.122 0.028 . 1 . . 1257 . A 215 PRO CG . 34384 1 1403 . 1 . 1 114 114 PRO CD C 13 50.490 0.031 . 1 . . 1254 . A 215 PRO CD . 34384 1 1404 . 1 . 1 115 115 LEU H H 1 8.583 0.008 . 1 . . 87 . A 216 LEU H . 34384 1 1405 . 1 . 1 115 115 LEU HA H 1 4.580 0.006 . 1 . . 681 . A 216 LEU HA . 34384 1 1406 . 1 . 1 115 115 LEU HB2 H 1 1.797 0.006 . 2 . . 686 . A 216 LEU HB2 . 34384 1 1407 . 1 . 1 115 115 LEU HB3 H 1 1.063 0.006 . 2 . . 687 . A 216 LEU HB3 . 34384 1 1408 . 1 . 1 115 115 LEU HG H 1 1.508 0.006 . 1 . . 689 . A 216 LEU HG . 34384 1 1409 . 1 . 1 115 115 LEU HD11 H 1 0.741 0.009 . 2 . . 683 . A 216 LEU HD11 . 34384 1 1410 . 1 . 1 115 115 LEU HD12 H 1 0.741 0.009 . 2 . . 683 . A 216 LEU HD12 . 34384 1 1411 . 1 . 1 115 115 LEU HD13 H 1 0.741 0.009 . 2 . . 683 . A 216 LEU HD13 . 34384 1 1412 . 1 . 1 115 115 LEU HD21 H 1 0.783 0.006 . 2 . . 685 . A 216 LEU HD21 . 34384 1 1413 . 1 . 1 115 115 LEU HD22 H 1 0.783 0.006 . 2 . . 685 . A 216 LEU HD22 . 34384 1 1414 . 1 . 1 115 115 LEU HD23 H 1 0.783 0.006 . 2 . . 685 . A 216 LEU HD23 . 34384 1 1415 . 1 . 1 115 115 LEU C C 13 175.506 . . 1 . . 579 . A 216 LEU C . 34384 1 1416 . 1 . 1 115 115 LEU CA C 13 54.031 0.037 . 1 . . 434 . A 216 LEU CA . 34384 1 1417 . 1 . 1 115 115 LEU CB C 13 41.751 0.037 . 1 . . 435 . A 216 LEU CB . 34384 1 1418 . 1 . 1 115 115 LEU CG C 13 28.110 0.065 . 1 . . 688 . A 216 LEU CG . 34384 1 1419 . 1 . 1 115 115 LEU CD1 C 13 26.309 0.022 . 2 . . 682 . A 216 LEU CD1 . 34384 1 1420 . 1 . 1 115 115 LEU CD2 C 13 25.164 0.02 . 2 . . 684 . A 216 LEU CD2 . 34384 1 1421 . 1 . 1 115 115 LEU N N 15 125.644 0.039 . 1 . . 88 . A 216 LEU N . 34384 1 1422 . 1 . 1 116 116 ASN H H 1 8.552 0.005 . 1 . . 145 . A 217 ASN H . 34384 1 1423 . 1 . 1 116 116 ASN HA H 1 4.967 0.008 . 1 . . 858 . A 217 ASN HA . 34384 1 1424 . 1 . 1 116 116 ASN HB2 H 1 2.668 0.005 . 2 . . 859 . A 217 ASN HB2 . 34384 1 1425 . 1 . 1 116 116 ASN HB3 H 1 2.690 0.011 . 2 . . 860 . A 217 ASN HB3 . 34384 1 1426 . 1 . 1 116 116 ASN HD21 H 1 7.347 0.007 . 1 . . 1212 . A 217 ASN HD21 . 34384 1 1427 . 1 . 1 116 116 ASN HD22 H 1 6.547 0.008 . 1 . . 1213 . A 217 ASN HD22 . 34384 1 1428 . 1 . 1 116 116 ASN C C 13 176.989 . . 1 . . 580 . A 217 ASN C . 34384 1 1429 . 1 . 1 116 116 ASN CA C 13 52.915 0.049 . 1 . . 437 . A 217 ASN CA . 34384 1 1430 . 1 . 1 116 116 ASN CB C 13 39.657 0.038 . 1 . . 436 . A 217 ASN CB . 34384 1 1431 . 1 . 1 116 116 ASN N N 15 125.366 0.043 . 1 . . 146 . A 217 ASN N . 34384 1 1432 . 1 . 1 116 116 ASN ND2 N 15 109.639 0.011 . 1 . . 1211 . A 217 ASN ND2 . 34384 1 1433 . 1 . 1 117 117 THR H H 1 8.538 0.005 . 1 . . 207 . A 218 THR H . 34384 1 1434 . 1 . 1 117 117 THR HA H 1 3.973 0.006 . 1 . . 778 . A 218 THR HA . 34384 1 1435 . 1 . 1 117 117 THR HB H 1 3.811 0.009 . 1 . . 779 . A 218 THR HB . 34384 1 1436 . 1 . 1 117 117 THR HG21 H 1 0.667 0.01 . 1 . . 781 . A 218 THR HG21 . 34384 1 1437 . 1 . 1 117 117 THR HG22 H 1 0.667 0.01 . 1 . . 781 . A 218 THR HG22 . 34384 1 1438 . 1 . 1 117 117 THR HG23 H 1 0.667 0.01 . 1 . . 781 . A 218 THR HG23 . 34384 1 1439 . 1 . 1 117 117 THR C C 13 174.601 . . 1 . . 581 . A 218 THR C . 34384 1 1440 . 1 . 1 117 117 THR CA C 13 61.538 0.023 . 1 . . 438 . A 218 THR CA . 34384 1 1441 . 1 . 1 117 117 THR CB C 13 69.778 0.023 . 1 . . 439 . A 218 THR CB . 34384 1 1442 . 1 . 1 117 117 THR CG2 C 13 20.639 0.022 . 1 . . 780 . A 218 THR CG2 . 34384 1 1443 . 1 . 1 117 117 THR N N 15 113.659 0.034 . 1 . . 208 . A 218 THR N . 34384 1 1444 . 1 . 1 118 118 THR H H 1 8.249 0.005 . 1 . . 201 . A 219 THR H . 34384 1 1445 . 1 . 1 118 118 THR HA H 1 4.355 0.003 . 1 . . 782 . A 219 THR HA . 34384 1 1446 . 1 . 1 118 118 THR HB H 1 4.279 0.006 . 1 . . 783 . A 219 THR HB . 34384 1 1447 . 1 . 1 118 118 THR HG21 H 1 1.196 0.004 . 1 . . 785 . A 219 THR HG21 . 34384 1 1448 . 1 . 1 118 118 THR HG22 H 1 1.196 0.004 . 1 . . 785 . A 219 THR HG22 . 34384 1 1449 . 1 . 1 118 118 THR HG23 H 1 1.196 0.004 . 1 . . 785 . A 219 THR HG23 . 34384 1 1450 . 1 . 1 118 118 THR C C 13 173.891 . . 1 . . 582 . A 219 THR C . 34384 1 1451 . 1 . 1 118 118 THR CA C 13 61.793 0.027 . 1 . . 440 . A 219 THR CA . 34384 1 1452 . 1 . 1 118 118 THR CB C 13 69.732 0.042 . 1 . . 441 . A 219 THR CB . 34384 1 1453 . 1 . 1 118 118 THR CG2 C 13 21.611 0.022 . 1 . . 784 . A 219 THR CG2 . 34384 1 1454 . 1 . 1 118 118 THR N N 15 115.144 0.021 . 1 . . 202 . A 219 THR N . 34384 1 1455 . 1 . 1 119 119 ARG H H 1 7.880 0.005 . 1 . . 185 . A 220 ARG H . 34384 1 1456 . 1 . 1 119 119 ARG HA H 1 4.150 0.002 . 1 . . 1193 . A 220 ARG HA . 34384 1 1457 . 1 . 1 119 119 ARG HB2 H 1 1.694 0.003 . 2 . . 1196 . A 220 ARG HB2 . 34384 1 1458 . 1 . 1 119 119 ARG HB3 H 1 1.818 0.003 . 2 . . 1197 . A 220 ARG HB3 . 34384 1 1459 . 1 . 1 119 119 ARG HG2 H 1 1.569 0.01 . 2 . . 1199 . A 220 ARG HG2 . 34384 1 1460 . 1 . 1 119 119 ARG HG3 H 1 1.569 0.01 . 2 . . 1200 . A 220 ARG HG3 . 34384 1 1461 . 1 . 1 119 119 ARG HD2 H 1 3.175 0.003 . 2 . . 1195 . A 220 ARG HD2 . 34384 1 1462 . 1 . 1 119 119 ARG HD3 H 1 3.175 0.003 . 2 . . 1201 . A 220 ARG HD3 . 34384 1 1463 . 1 . 1 119 119 ARG CA C 13 57.611 0.018 . 1 . . 442 . A 220 ARG CA . 34384 1 1464 . 1 . 1 119 119 ARG CB C 13 31.507 0.023 . 1 . . 443 . A 220 ARG CB . 34384 1 1465 . 1 . 1 119 119 ARG CG C 13 27.181 0.027 . 1 . . 1198 . A 220 ARG CG . 34384 1 1466 . 1 . 1 119 119 ARG CD C 13 43.553 0.031 . 1 . . 1194 . A 220 ARG CD . 34384 1 1467 . 1 . 1 119 119 ARG N N 15 128.208 0.02 . 1 . . 186 . A 220 ARG N . 34384 1 1468 . 2 . 2 1 1 GLU H H 1 8.347 0.002 . 1 . . 1357 . B -4 GLU H1 . 34384 1 1469 . 2 . 2 1 1 GLU HA H 1 4.258 0.003 . 1 . . 1358 . B -4 GLU HA . 34384 1 1470 . 2 . 2 1 1 GLU HB2 H 1 2.041 0.008 . 2 . . 1359 . B -4 GLU HB2 . 34384 1 1471 . 2 . 2 1 1 GLU HB3 H 1 1.895 0.004 . 2 . . 1360 . B -4 GLU HB3 . 34384 1 1472 . 2 . 2 1 1 GLU HG2 H 1 2.288 0.001 . 2 . . 1361 . B -4 GLU HG2 . 34384 1 1473 . 2 . 2 1 1 GLU HG3 H 1 2.251 0.008 . 2 . . 1362 . B -4 GLU HG3 . 34384 1 1474 . 2 . 2 2 2 GLN H H 1 8.405 0.001 . 1 . . 1352 . B -3 GLN H . 34384 1 1475 . 2 . 2 2 2 GLN HA H 1 4.464 0.003 . 1 . . 1353 . B -3 GLN HA . 34384 1 1476 . 2 . 2 2 2 GLN HB2 H 1 1.998 0.003 . 2 . . 1277 . B -3 GLN HB2 . 34384 1 1477 . 2 . 2 2 2 GLN HB3 H 1 2.126 0.003 . 2 . . 1278 . B -3 GLN HB3 . 34384 1 1478 . 2 . 2 2 2 GLN HG2 H 1 2.367 0.004 . 1 . . 1354 . B -3 GLN HG2 . 34384 1 1479 . 2 . 2 2 2 GLN HE21 H 1 7.639 0.002 . 1 . . 1373 . B -3 GLN HE21 . 34384 1 1480 . 2 . 2 2 2 GLN HE22 H 1 6.890 0.003 . 1 . . 1374 . B -3 GLN HE22 . 34384 1 1481 . 2 . 2 3 3 THR H H 1 8.535 0.002 . 1 . . 1348 . B -2 THR H . 34384 1 1482 . 2 . 2 3 3 THR HA H 1 3.737 0.002 . 1 . . 1350 . B -2 THR HA . 34384 1 1483 . 2 . 2 3 3 THR HB H 1 3.873 0.004 . 1 . . 1349 . B -2 THR HB . 34384 1 1484 . 2 . 2 3 3 THR HG1 H 1 8.190 0.003 . 1 . . 1420 . B -2 THR HG1 . 34384 1 1485 . 2 . 2 3 3 THR HG21 H 1 0.095 0.005 . 1 . . 1351 . B -2 THR HG21 . 34384 1 1486 . 2 . 2 3 3 THR HG22 H 1 0.095 0.005 . 1 . . 1351 . B -2 THR HG22 . 34384 1 1487 . 2 . 2 3 3 THR HG23 H 1 0.095 0.005 . 1 . . 1351 . B -2 THR HG23 . 34384 1 1488 . 2 . 2 4 4 GLU H H 1 8.494 0.002 . 1 . . 1342 . B -1 GLU H . 34384 1 1489 . 2 . 2 4 4 GLU HA H 1 4.368 0.003 . 1 . . 1343 . B -1 GLU HA . 34384 1 1490 . 2 . 2 4 4 GLU HB2 H 1 1.987 0.003 . 2 . . 1344 . B -1 GLU HB2 . 34384 1 1491 . 2 . 2 4 4 GLU HB3 H 1 1.899 0.003 . 2 . . 1345 . B -1 GLU HB3 . 34384 1 1492 . 2 . 2 4 4 GLU HG2 H 1 2.264 0.004 . 2 . . 1346 . B -1 GLU HG2 . 34384 1 1493 . 2 . 2 4 4 GLU HG3 H 1 2.147 0.009 . 2 . . 1347 . B -1 GLU HG3 . 34384 1 1494 . 2 . 2 5 5 PTR H H 1 8.622 0.007 . 1 . . 1337 . B 0 PTR H . 34384 1 1495 . 2 . 2 5 5 PTR HA H 1 4.857 0.008 . 1 . . 1338 . B 0 PTR HA . 34384 1 1496 . 2 . 2 5 5 PTR HB2 H 1 3.249 0.005 . 2 . . 1339 . B 0 PTR HB2 . 34384 1 1497 . 2 . 2 5 5 PTR HB3 H 1 2.804 0.007 . 2 . . 1340 . B 0 PTR HB3 . 34384 1 1498 . 2 . 2 5 5 PTR HD1 H 1 7.030 0.006 . 1 . . 1363 . B 0 PTR HD1 . 34384 1 1499 . 2 . 2 5 5 PTR HE1 H 1 6.829 0.007 . 1 . . 1375 . B 0 PTR HE1 . 34384 1 1500 . 2 . 2 6 6 ALA H H 1 8.995 0.005 . 1 . . 1318 . B 1 ALA H . 34384 1 1501 . 2 . 2 6 6 ALA HA H 1 4.491 0.006 . 1 . . 1319 . B 1 ALA HA . 34384 1 1502 . 2 . 2 6 6 ALA HB1 H 1 1.373 0.008 . 1 . . 1320 . B 1 ALA HB1 . 34384 1 1503 . 2 . 2 6 6 ALA HB2 H 1 1.373 0.008 . 1 . . 1320 . B 1 ALA HB2 . 34384 1 1504 . 2 . 2 6 6 ALA HB3 H 1 1.373 0.008 . 1 . . 1320 . B 1 ALA HB3 . 34384 1 1505 . 2 . 2 7 7 THR H H 1 9.093 0.003 . 1 . . 1321 . B 2 THR H . 34384 1 1506 . 2 . 2 7 7 THR HA H 1 4.134 0.005 . 1 . . 1323 . B 2 THR HA . 34384 1 1507 . 2 . 2 7 7 THR HB H 1 4.569 0.01 . 1 . . 1322 . B 2 THR HB . 34384 1 1508 . 2 . 2 7 7 THR HG21 H 1 1.243 0.004 . 1 . . 1324 . B 2 THR HG21 . 34384 1 1509 . 2 . 2 7 7 THR HG22 H 1 1.243 0.004 . 1 . . 1324 . B 2 THR HG22 . 34384 1 1510 . 2 . 2 7 7 THR HG23 H 1 1.243 0.004 . 1 . . 1324 . B 2 THR HG23 . 34384 1 1511 . 2 . 2 8 8 ILE H H 1 8.615 0.005 . 1 . . 1325 . B 3 ILE H . 34384 1 1512 . 2 . 2 8 8 ILE HA H 1 4.268 0.006 . 1 . . 1341 . B 3 ILE HA . 34384 1 1513 . 2 . 2 8 8 ILE HB H 1 1.889 0.004 . 1 . . 1326 . B 3 ILE HB . 34384 1 1514 . 2 . 2 8 8 ILE HG12 H 1 1.662 0.01 . 2 . . 1377 . B 3 ILE HG12 . 34384 1 1515 . 2 . 2 8 8 ILE HG13 H 1 1.359 0.008 . 2 . . 1378 . B 3 ILE HG13 . 34384 1 1516 . 2 . 2 8 8 ILE HG21 H 1 0.348 0.004 . 1 . . 1327 . B 3 ILE HG21 . 34384 1 1517 . 2 . 2 8 8 ILE HG22 H 1 0.348 0.004 . 1 . . 1327 . B 3 ILE HG22 . 34384 1 1518 . 2 . 2 8 8 ILE HG23 H 1 0.348 0.004 . 1 . . 1327 . B 3 ILE HG23 . 34384 1 1519 . 2 . 2 8 8 ILE HD11 H 1 0.444 0.007 . 1 . . 1376 . B 3 ILE HD11 . 34384 1 1520 . 2 . 2 8 8 ILE HD12 H 1 0.444 0.007 . 1 . . 1376 . B 3 ILE HD12 . 34384 1 1521 . 2 . 2 8 8 ILE HD13 H 1 0.444 0.007 . 1 . . 1376 . B 3 ILE HD13 . 34384 1 1522 . 2 . 2 9 9 VAL H H 1 8.255 0.004 . 1 . . 1328 . B 4 VAL H . 34384 1 1523 . 2 . 2 9 9 VAL HA H 1 4.004 0.006 . 1 . . 1329 . B 4 VAL HA . 34384 1 1524 . 2 . 2 9 9 VAL HB H 1 1.785 0.006 . 1 . . 1330 . B 4 VAL HB . 34384 1 1525 . 2 . 2 9 9 VAL HG11 H 1 0.776 0.002 . 2 . . 1331 . B 4 VAL HG11 . 34384 1 1526 . 2 . 2 9 9 VAL HG12 H 1 0.776 0.002 . 2 . . 1331 . B 4 VAL HG12 . 34384 1 1527 . 2 . 2 9 9 VAL HG13 H 1 0.776 0.002 . 2 . . 1331 . B 4 VAL HG13 . 34384 1 1528 . 2 . 2 9 9 VAL HG21 H 1 0.722 0.004 . 2 . . 1332 . B 4 VAL HG21 . 34384 1 1529 . 2 . 2 9 9 VAL HG22 H 1 0.722 0.004 . 2 . . 1332 . B 4 VAL HG22 . 34384 1 1530 . 2 . 2 9 9 VAL HG23 H 1 0.722 0.004 . 2 . . 1332 . B 4 VAL HG23 . 34384 1 1531 . 2 . 2 10 10 PHE H H 1 8.488 0.001 . 1 . . 1333 . B 5 PHE H . 34384 1 1532 . 2 . 2 10 10 PHE HA H 1 4.965 0.003 . 1 . . 1334 . B 5 PHE HA . 34384 1 1533 . 2 . 2 10 10 PHE HB2 H 1 3.235 0.002 . 2 . . 1335 . B 5 PHE HB2 . 34384 1 1534 . 2 . 2 10 10 PHE HB3 H 1 2.800 0.008 . 2 . . 1336 . B 5 PHE HB3 . 34384 1 1535 . 2 . 2 10 10 PHE HD1 H 1 7.315 0.004 . 1 . . 1364 . B 5 PHE HD1 . 34384 1 1536 . 2 . 2 10 10 PHE HD2 H 1 7.315 0.004 . 1 . . 1364 . B 5 PHE HD2 . 34384 1 1537 . 2 . 2 10 10 PHE HE1 H 1 7.061 0.016 . 1 . . 1366 . B 5 PHE HE1 . 34384 1 1538 . 2 . 2 10 10 PHE HE2 H 1 7.061 0.016 . 1 . . 1366 . B 5 PHE HE2 . 34384 1 1539 . 2 . 2 10 10 PHE HZ H 1 7.221 0.005 . 1 . . 1365 . B 5 PHE HZ . 34384 1 1540 . 2 . 2 11 11 PRO HA H 1 4.436 0.003 . 1 . . 1367 . B 6 PRO HA . 34384 1 1541 . 2 . 2 11 11 PRO HB2 H 1 2.360 0.001 . 2 . . 1369 . B 6 PRO HB2 . 34384 1 1542 . 2 . 2 11 11 PRO HB3 H 1 2.145 0.002 . 2 . . 1370 . B 6 PRO HB3 . 34384 1 1543 . 2 . 2 11 11 PRO HG2 H 1 2.077 0.003 . 2 . . 1371 . B 6 PRO HG2 . 34384 1 1544 . 2 . 2 11 11 PRO HG3 H 1 2.022 0.005 . 2 . . 1372 . B 6 PRO HG3 . 34384 1 1545 . 2 . 2 11 11 PRO HD2 H 1 3.905 0.006 . 1 . . 1368 . B 6 PRO HD2 . 34384 1 stop_ save_