data_6502 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6502 _Entry.Title ; DNA binding domain in XPF/ERCC-1 complex ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-02-16 _Entry.Accession_date 2005-02-16 _Entry.Last_release_date 2006-02-17 _Entry.Original_release_date 2006-02-17 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Mika Masuyama . . . 6502 2 Sonoko Ishino . . . 6502 3 Tatsuya Nishino . . . 6502 4 Hiroshi Moriuchi . . . 6502 5 Hiroshi Ueno . . . 6502 6 Kousuke Morikawa . . . 6502 7 Shin-ichi Tate . . . 6502 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6502 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 622 6502 '15N chemical shifts' 172 6502 '1H chemical shifts' 1085 6502 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 . . 2006-02-17 2005-02-16 original author . 6502 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 6502 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Resonance assignments for the DNA binding domain of ERCC-1/XPF heterodimer' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 32 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 175 _Citation.Page_last 175 _Citation.Year 2005 _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.Entry_ID _Citation_author.Citation_ID 1 Mika Masuyama . . . 6502 1 2 Sonoko Ishino . . . 6502 1 3 Tatsuya Nishino . . . 6502 1 4 Hiroshi Moriuchi . . . 6502 1 5 Hiroshi Ueno . . . 6502 1 6 Kousuke Morikawa . . . 6502 1 7 Shin-ichi Tate . . . 6502 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6502 _Assembly.ID 1 _Assembly.Name 'XPF/ERCC-1 heterodimer' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange yes _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _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 'XPF subunit' 1 $XPF_subunit . . yes native no yes 1 'DNA binding' . 6502 1 2 'ERCC-1 subunit' 2 $ERCC-1_subunit . . yes native no yes 2 'DNA binding' . 6502 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_XPF_subunit _Entity.Sf_category entity _Entity.Sf_framecode XPF_subunit _Entity.Entry_ID 6502 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'XPF subunit' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details ; XPF (residues 810-905) each fragment contains additional sequence (GSHM) from expression vector. ; _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSHMPQPDAATALAITADSE TLPESEKYNPGPQDFLLKMP GVNAKNCRSLMHHVKNIAEL AALSQDELTSILGNAANAKQ LYDFIHTSFAEVVSKGKGKK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; number 1-100 corresponds to XPF subunit. In each fragment, the first four residues (GSHM) are artificially added from expression vector. ; _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 100 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1Z00 . "Solution Structure Of The C-Terminal Domain Of Ercc1 Complexed With The C-Terminal Domain Of Xpf" . . . . . 93.98 89 100.00 100.00 2.32e-47 . . . . 6502 1 2 no PDB 2A1J . "Crystal Structure Of The Complex Between The C-Terminal Domains Of Human Xpf And Ercc1" . . . . . 93.98 91 100.00 100.00 1.51e-47 . . . . 6502 1 3 no DBJ BAG37398 . "unnamed protein product [Homo sapiens]" . . . . . 95.18 297 100.00 100.00 6.43e-46 . . . . 6502 1 4 no DBJ BAG52472 . "unnamed protein product [Homo sapiens]" . . . . . 95.18 225 100.00 100.00 2.21e-46 . . . . 6502 1 5 no GB AAA35810 . "excision repair protein [Homo sapiens]" . . . . . 95.18 297 100.00 100.00 6.09e-46 . . . . 6502 1 6 no GB AAA52394 . "excision repair protein [Homo sapiens]" . . . . . 95.18 297 100.00 100.00 6.09e-46 . . . . 6502 1 7 no GB AAC16253 . "excision repair protein [Homo sapiens]" . . . . . 95.18 297 100.00 100.00 6.09e-46 . . . . 6502 1 8 no GB AAH08930 . "Excision repair cross-complementing rodent repair deficiency, complementation group 1 (includes overlapping antisense sequence)" . . . . . 95.18 297 100.00 100.00 6.09e-46 . . . . 6502 1 9 no GB AAH52813 . "Excision repair cross-complementing rodent repair deficiency, complementation group 1 (includes overlapping antisense sequence)" . . . . . 80.72 323 97.01 97.01 3.78e-34 . . . . 6502 1 10 no PRF 1403276A . "DNA repair gene" . . . . . 95.18 297 100.00 100.00 6.09e-46 . . . . 6502 1 11 no REF NP_001069853 . "DNA excision repair protein ERCC-1 [Bos taurus]" . . . . . 95.18 294 97.47 98.73 4.82e-45 . . . . 6502 1 12 no REF NP_001152781 . "DNA excision repair protein ERCC-1 [Sus scrofa]" . . . . . 93.98 294 97.44 97.44 1.55e-43 . . . . 6502 1 13 no REF NP_001181860 . "DNA excision repair protein ERCC-1 [Pan troglodytes]" . . . . . 95.18 297 100.00 100.00 6.09e-46 . . . . 6502 1 14 no REF NP_001974 . "DNA excision repair protein ERCC-1 isoform 2 [Homo sapiens]" . . . . . 95.18 297 100.00 100.00 6.09e-46 . . . . 6502 1 15 no REF NP_973730 . "DNA excision repair protein ERCC-1 isoform 1 [Homo sapiens]" . . . . . 80.72 323 97.01 97.01 3.78e-34 . . . . 6502 1 16 no SP P07992 . "RecName: Full=DNA excision repair protein ERCC-1 [Homo sapiens]" . . . . . 95.18 297 100.00 100.00 6.09e-46 . . . . 6502 1 17 no SP Q1LZ75 . "RecName: Full=DNA excision repair protein ERCC-1 [Bos taurus]" . . . . . 95.18 294 97.47 98.73 4.82e-45 . . . . 6502 1 18 no TPG DAA19632 . "TPA: DNA excision repair protein ERCC-1 [Bos taurus]" . . . . . 95.18 294 97.47 98.73 4.82e-45 . . . . 6502 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 -4 GLY . 6502 1 2 -3 SER . 6502 1 3 -2 HIS . 6502 1 4 -1 MET . 6502 1 5 810 PRO . 6502 1 6 811 GLN . 6502 1 7 812 PRO . 6502 1 8 813 ASP . 6502 1 9 814 ALA . 6502 1 10 815 ALA . 6502 1 11 816 THR . 6502 1 12 817 ALA . 6502 1 13 818 LEU . 6502 1 14 819 ALA . 6502 1 15 820 ILE . 6502 1 16 821 THR . 6502 1 17 822 ALA . 6502 1 18 823 ASP . 6502 1 19 824 SER . 6502 1 20 825 GLU . 6502 1 21 826 THR . 6502 1 22 827 LEU . 6502 1 23 828 PRO . 6502 1 24 829 GLU . 6502 1 25 830 SER . 6502 1 26 831 GLU . 6502 1 27 832 LYS . 6502 1 28 833 TYR . 6502 1 29 834 ASN . 6502 1 30 835 PRO . 6502 1 31 836 GLY . 6502 1 32 837 PRO . 6502 1 33 838 GLN . 6502 1 34 839 ASP . 6502 1 35 840 PHE . 6502 1 36 841 LEU . 6502 1 37 842 LEU . 6502 1 38 843 LYS . 6502 1 39 844 MET . 6502 1 40 845 PRO . 6502 1 41 846 GLY . 6502 1 42 847 VAL . 6502 1 43 848 ASN . 6502 1 44 849 ALA . 6502 1 45 850 LYS . 6502 1 46 851 ASN . 6502 1 47 852 CYS . 6502 1 48 853 ARG . 6502 1 49 854 SER . 6502 1 50 855 LEU . 6502 1 51 856 MET . 6502 1 52 857 HIS . 6502 1 53 858 HIS . 6502 1 54 859 VAL . 6502 1 55 860 LYS . 6502 1 56 861 ASN . 6502 1 57 862 ILE . 6502 1 58 863 ALA . 6502 1 59 864 GLU . 6502 1 60 865 LEU . 6502 1 61 866 ALA . 6502 1 62 867 ALA . 6502 1 63 868 LEU . 6502 1 64 869 SER . 6502 1 65 870 GLN . 6502 1 66 871 ASP . 6502 1 67 872 GLU . 6502 1 68 873 LEU . 6502 1 69 874 THR . 6502 1 70 875 SER . 6502 1 71 876 ILE . 6502 1 72 877 LEU . 6502 1 73 878 GLY . 6502 1 74 879 ASN . 6502 1 75 880 ALA . 6502 1 76 881 ALA . 6502 1 77 882 ASN . 6502 1 78 883 ALA . 6502 1 79 884 LYS . 6502 1 80 885 GLN . 6502 1 81 886 LEU . 6502 1 82 887 TYR . 6502 1 83 888 ASP . 6502 1 84 889 PHE . 6502 1 85 890 ILE . 6502 1 86 891 HIS . 6502 1 87 892 THR . 6502 1 88 893 SER . 6502 1 89 894 PHE . 6502 1 90 895 ALA . 6502 1 91 896 GLU . 6502 1 92 897 VAL . 6502 1 93 898 VAL . 6502 1 94 899 SER . 6502 1 95 900 LYS . 6502 1 96 901 GLY . 6502 1 97 902 LYS . 6502 1 98 903 GLY . 6502 1 99 904 LYS . 6502 1 100 905 LYS . 6502 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 6502 1 . SER 2 2 6502 1 . HIS 3 3 6502 1 . MET 4 4 6502 1 . PRO 5 5 6502 1 . GLN 6 6 6502 1 . PRO 7 7 6502 1 . ASP 8 8 6502 1 . ALA 9 9 6502 1 . ALA 10 10 6502 1 . THR 11 11 6502 1 . ALA 12 12 6502 1 . LEU 13 13 6502 1 . ALA 14 14 6502 1 . ILE 15 15 6502 1 . THR 16 16 6502 1 . ALA 17 17 6502 1 . ASP 18 18 6502 1 . SER 19 19 6502 1 . GLU 20 20 6502 1 . THR 21 21 6502 1 . LEU 22 22 6502 1 . PRO 23 23 6502 1 . GLU 24 24 6502 1 . SER 25 25 6502 1 . GLU 26 26 6502 1 . LYS 27 27 6502 1 . TYR 28 28 6502 1 . ASN 29 29 6502 1 . PRO 30 30 6502 1 . GLY 31 31 6502 1 . PRO 32 32 6502 1 . GLN 33 33 6502 1 . ASP 34 34 6502 1 . PHE 35 35 6502 1 . LEU 36 36 6502 1 . LEU 37 37 6502 1 . LYS 38 38 6502 1 . MET 39 39 6502 1 . PRO 40 40 6502 1 . GLY 41 41 6502 1 . VAL 42 42 6502 1 . ASN 43 43 6502 1 . ALA 44 44 6502 1 . LYS 45 45 6502 1 . ASN 46 46 6502 1 . CYS 47 47 6502 1 . ARG 48 48 6502 1 . SER 49 49 6502 1 . LEU 50 50 6502 1 . MET 51 51 6502 1 . HIS 52 52 6502 1 . HIS 53 53 6502 1 . VAL 54 54 6502 1 . LYS 55 55 6502 1 . ASN 56 56 6502 1 . ILE 57 57 6502 1 . ALA 58 58 6502 1 . GLU 59 59 6502 1 . LEU 60 60 6502 1 . ALA 61 61 6502 1 . ALA 62 62 6502 1 . LEU 63 63 6502 1 . SER 64 64 6502 1 . GLN 65 65 6502 1 . ASP 66 66 6502 1 . GLU 67 67 6502 1 . LEU 68 68 6502 1 . THR 69 69 6502 1 . SER 70 70 6502 1 . ILE 71 71 6502 1 . LEU 72 72 6502 1 . GLY 73 73 6502 1 . ASN 74 74 6502 1 . ALA 75 75 6502 1 . ALA 76 76 6502 1 . ASN 77 77 6502 1 . ALA 78 78 6502 1 . LYS 79 79 6502 1 . GLN 80 80 6502 1 . LEU 81 81 6502 1 . TYR 82 82 6502 1 . ASP 83 83 6502 1 . PHE 84 84 6502 1 . ILE 85 85 6502 1 . HIS 86 86 6502 1 . THR 87 87 6502 1 . SER 88 88 6502 1 . PHE 89 89 6502 1 . ALA 90 90 6502 1 . GLU 91 91 6502 1 . VAL 92 92 6502 1 . VAL 93 93 6502 1 . SER 94 94 6502 1 . LYS 95 95 6502 1 . GLY 96 96 6502 1 . LYS 97 97 6502 1 . GLY 98 98 6502 1 . LYS 99 99 6502 1 . LYS 100 100 6502 1 stop_ save_ save_ERCC-1_subunit _Entity.Sf_category entity _Entity.Sf_framecode ERCC-1_subunit _Entity.Entry_ID 6502 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name 'ERCC-1 subunit' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details ; ERCC-1 (residues 219-297) each fragment contains additional sequence (GSHM) from expression vector. ; _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSHMPADLLMEKLEQDFVSR VTECLTTVKSVNKTDSQTLL TTFGSLEQLIAASREDLALC PGLGPQKARRLFDVLHEPFL KVP ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'In each fragment, the first four residues (GSHM) are artificially added from expression vector.' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 83 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 -4 GLY . 6502 2 2 -3 SER . 6502 2 3 -2 HIS . 6502 2 4 -1 MET . 6502 2 5 219 PRO . 6502 2 6 220 ALA . 6502 2 7 221 ASP . 6502 2 8 222 LEU . 6502 2 9 223 LEU . 6502 2 10 224 MET . 6502 2 11 225 GLU . 6502 2 12 226 LYS . 6502 2 13 227 LEU . 6502 2 14 228 GLU . 6502 2 15 229 GLN . 6502 2 16 230 ASP . 6502 2 17 231 PHE . 6502 2 18 232 VAL . 6502 2 19 233 SER . 6502 2 20 234 ARG . 6502 2 21 235 VAL . 6502 2 22 236 THR . 6502 2 23 237 GLU . 6502 2 24 238 CYS . 6502 2 25 239 LEU . 6502 2 26 240 THR . 6502 2 27 241 THR . 6502 2 28 242 VAL . 6502 2 29 243 LYS . 6502 2 30 244 SER . 6502 2 31 245 VAL . 6502 2 32 246 ASN . 6502 2 33 247 LYS . 6502 2 34 248 THR . 6502 2 35 249 ASP . 6502 2 36 250 SER . 6502 2 37 251 GLN . 6502 2 38 252 THR . 6502 2 39 253 LEU . 6502 2 40 254 LEU . 6502 2 41 255 THR . 6502 2 42 256 THR . 6502 2 43 257 PHE . 6502 2 44 258 GLY . 6502 2 45 259 SER . 6502 2 46 260 LEU . 6502 2 47 261 GLU . 6502 2 48 262 GLN . 6502 2 49 263 LEU . 6502 2 50 264 ILE . 6502 2 51 265 ALA . 6502 2 52 266 ALA . 6502 2 53 267 SER . 6502 2 54 268 ARG . 6502 2 55 269 GLU . 6502 2 56 270 ASP . 6502 2 57 271 LEU . 6502 2 58 272 ALA . 6502 2 59 273 LEU . 6502 2 60 274 CYS . 6502 2 61 275 PRO . 6502 2 62 276 GLY . 6502 2 63 277 LEU . 6502 2 64 278 GLY . 6502 2 65 279 PRO . 6502 2 66 280 GLN . 6502 2 67 281 LYS . 6502 2 68 282 ALA . 6502 2 69 283 ARG . 6502 2 70 284 ARG . 6502 2 71 285 LEU . 6502 2 72 286 PHE . 6502 2 73 287 ASP . 6502 2 74 288 VAL . 6502 2 75 289 LEU . 6502 2 76 290 HIS . 6502 2 77 291 GLU . 6502 2 78 292 PRO . 6502 2 79 293 PHE . 6502 2 80 294 LEU . 6502 2 81 295 LYS . 6502 2 82 296 VAL . 6502 2 83 297 PRO . 6502 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 . GLY 1 1 6502 2 . SER 2 2 6502 2 . HIS 3 3 6502 2 . MET 4 4 6502 2 . PRO 5 5 6502 2 . ALA 6 6 6502 2 . ASP 7 7 6502 2 . LEU 8 8 6502 2 . LEU 9 9 6502 2 . MET 10 10 6502 2 . GLU 11 11 6502 2 . LYS 12 12 6502 2 . LEU 13 13 6502 2 . GLU 14 14 6502 2 . GLN 15 15 6502 2 . ASP 16 16 6502 2 . PHE 17 17 6502 2 . VAL 18 18 6502 2 . SER 19 19 6502 2 . ARG 20 20 6502 2 . VAL 21 21 6502 2 . THR 22 22 6502 2 . GLU 23 23 6502 2 . CYS 24 24 6502 2 . LEU 25 25 6502 2 . THR 26 26 6502 2 . THR 27 27 6502 2 . VAL 28 28 6502 2 . LYS 29 29 6502 2 . SER 30 30 6502 2 . VAL 31 31 6502 2 . ASN 32 32 6502 2 . LYS 33 33 6502 2 . THR 34 34 6502 2 . ASP 35 35 6502 2 . SER 36 36 6502 2 . GLN 37 37 6502 2 . THR 38 38 6502 2 . LEU 39 39 6502 2 . LEU 40 40 6502 2 . THR 41 41 6502 2 . THR 42 42 6502 2 . PHE 43 43 6502 2 . GLY 44 44 6502 2 . SER 45 45 6502 2 . LEU 46 46 6502 2 . GLU 47 47 6502 2 . GLN 48 48 6502 2 . LEU 49 49 6502 2 . ILE 50 50 6502 2 . ALA 51 51 6502 2 . ALA 52 52 6502 2 . SER 53 53 6502 2 . ARG 54 54 6502 2 . GLU 55 55 6502 2 . ASP 56 56 6502 2 . LEU 57 57 6502 2 . ALA 58 58 6502 2 . LEU 59 59 6502 2 . CYS 60 60 6502 2 . PRO 61 61 6502 2 . GLY 62 62 6502 2 . LEU 63 63 6502 2 . GLY 64 64 6502 2 . PRO 65 65 6502 2 . GLN 66 66 6502 2 . LYS 67 67 6502 2 . ALA 68 68 6502 2 . ARG 69 69 6502 2 . ARG 70 70 6502 2 . LEU 71 71 6502 2 . PHE 72 72 6502 2 . ASP 73 73 6502 2 . VAL 74 74 6502 2 . LEU 75 75 6502 2 . HIS 76 76 6502 2 . GLU 77 77 6502 2 . PRO 78 78 6502 2 . PHE 79 79 6502 2 . LEU 80 80 6502 2 . LYS 81 81 6502 2 . VAL 82 82 6502 2 . PRO 83 83 6502 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 6502 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $XPF_subunit . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 6502 1 2 2 $ERCC-1_subunit . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 6502 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 6502 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $XPF_subunit . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6502 1 2 2 $ERCC-1_subunit . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6502 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6502 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'XPF subunit' '[U-95% 13C; U-90% 15N]' . . 1 $XPF_subunit . . 1.4 1.3 1.5 mM 0.1 . . . 6502 1 2 'ERCC-1 subunit' '[U-95% 13C; U-90% 15N]' . . 2 $ERCC-1_subunit . . 1.4 1.3 1.5 mM 0.1 . . . 6502 1 3 'sodium phosphate buffer' . . . . . . . 50 . . mM . . . . 6502 1 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 6502 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 1 mM 6502 1 pH* 6.4 0.1 pH 6502 1 temperature 308 0.2 K 6502 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode reference_1 _Chem_shift_reference.Entry_ID 6502 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $citation_1 . . 1 $citation_1 6502 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $citation_1 . . 1 $citation_1 6502 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $citation_1 . . 1 $citation_1 6502 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_assign_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assign_1 _Assigned_chem_shift_list.Entry_ID 6502 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $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 . 1 $sample_1 isotropic 6502 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 HIS HA H 1 4.200 0.030 . 1 . . . . 3 HIS HA . 6502 1 2 . 1 1 3 3 HIS HB2 H 1 3.143 0.030 . 1 . . . . 3 HIS HB2 . 6502 1 3 . 1 1 3 3 HIS HB3 H 1 3.077 0.030 . 1 . . . . 3 HIS HB3 . 6502 1 4 . 1 1 3 3 HIS HD2 H 1 8.229 0.030 . 1 . . . . 3 HIS HD2 . 6502 1 5 . 1 1 3 3 HIS HE1 H 1 7.378 0.030 . 1 . . . . 3 HIS HE1 . 6502 1 6 . 1 1 3 3 HIS C C 13 174.625 0.500 . 1 . . . . 3 HIS C . 6502 1 7 . 1 1 3 3 HIS CA C 13 55.979 0.500 . 1 . . . . 3 HIS CA . 6502 1 8 . 1 1 3 3 HIS CB C 13 30.096 0.500 . 1 . . . . 3 HIS CB . 6502 1 9 . 1 1 4 4 MET H H 1 8.275 0.030 . 1 . . . . 4 MET H . 6502 1 10 . 1 1 4 4 MET HA H 1 4.755 0.030 . 1 . . . . 4 MET HA . 6502 1 11 . 1 1 4 4 MET HB2 H 1 1.889 0.030 . 1 . . . . 4 MET HB2 . 6502 1 12 . 1 1 4 4 MET HB3 H 1 2.007 0.030 . 1 . . . . 4 MET HB3 . 6502 1 13 . 1 1 4 4 MET HG2 H 1 2.561 0.030 . 1 . . . . 4 MET HG2 . 6502 1 14 . 1 1 4 4 MET HG3 H 1 2.472 0.030 . 1 . . . . 4 MET HG3 . 6502 1 15 . 1 1 4 4 MET CA C 13 53.209 0.500 . 1 . . . . 4 MET CA . 6502 1 16 . 1 1 4 4 MET CB C 13 32.496 0.500 . 1 . . . . 4 MET CB . 6502 1 17 . 1 1 4 4 MET N N 15 123.257 0.250 . 1 . . . . 4 MET N . 6502 1 18 . 1 1 5 5 PRO HA H 1 4.389 0.030 . 1 . . . . 5 PRO HA . 6502 1 19 . 1 1 5 5 PRO HB2 H 1 2.268 0.030 . 1 . . . . 5 PRO HB2 . 6502 1 20 . 1 1 5 5 PRO HB3 H 1 1.902 0.030 . 1 . . . . 5 PRO HB3 . 6502 1 21 . 1 1 5 5 PRO HG2 H 1 1.995 0.030 . 1 . . . . 5 PRO HG2 . 6502 1 22 . 1 1 5 5 PRO HG3 H 1 1.995 0.030 . 1 . . . . 5 PRO HG3 . 6502 1 23 . 1 1 5 5 PRO HD2 H 1 3.753 0.030 . 1 . . . . 5 PRO HD2 . 6502 1 24 . 1 1 5 5 PRO HD3 H 1 3.664 0.030 . 1 . . . . 5 PRO HD3 . 6502 1 25 . 1 1 5 5 PRO C C 13 177.216 0.500 . 1 . . . . 5 PRO C . 6502 1 26 . 1 1 5 5 PRO CA C 13 63.202 0.500 . 1 . . . . 5 PRO CA . 6502 1 27 . 1 1 5 5 PRO CB C 13 32.035 0.500 . 1 . . . . 5 PRO CB . 6502 1 28 . 1 1 5 5 PRO CG C 13 27.423 0.500 . 1 . . . . 5 PRO CG . 6502 1 29 . 1 1 5 5 PRO CD C 13 50.517 0.500 . 1 . . . . 5 PRO CD . 6502 1 30 . 1 1 6 6 GLN H H 1 8.505 0.030 . 1 . . . . 6 GLN H . 6502 1 31 . 1 1 6 6 GLN CA C 13 57.343 0.500 . 1 . . . . 6 GLN CA . 6502 1 32 . 1 1 6 6 GLN CB C 13 30.104 0.500 . 1 . . . . 6 GLN CB . 6502 1 33 . 1 1 6 6 GLN N N 15 121.221 0.250 . 1 . . . . 6 GLN N . 6502 1 34 . 1 1 7 7 PRO HA H 1 4.389 0.030 . 1 . . . . 7 PRO HA . 6502 1 35 . 1 1 7 7 PRO HB2 H 1 2.268 0.030 . 1 . . . . 7 PRO HB2 . 6502 1 36 . 1 1 7 7 PRO HB3 H 1 1.902 0.030 . 1 . . . . 7 PRO HB3 . 6502 1 37 . 1 1 7 7 PRO HG2 H 1 1.966 0.030 . 2 . . . . 7 PRO HG2 . 6502 1 38 . 1 1 7 7 PRO HG3 H 1 1.966 0.030 . 2 . . . . 7 PRO HG3 . 6502 1 39 . 1 1 7 7 PRO HD2 H 1 3.748 0.030 . 1 . . . . 7 PRO HD2 . 6502 1 40 . 1 1 7 7 PRO HD3 H 1 3.645 0.030 . 1 . . . . 7 PRO HD3 . 6502 1 41 . 1 1 7 7 PRO C C 13 176.642 0.500 . 1 . . . . 7 PRO C . 6502 1 42 . 1 1 7 7 PRO CA C 13 63.472 0.500 . 1 . . . . 7 PRO CA . 6502 1 43 . 1 1 7 7 PRO CB C 13 32.050 0.500 . 1 . . . . 7 PRO CB . 6502 1 44 . 1 1 7 7 PRO CG C 13 27.234 0.500 . 1 . . . . 7 PRO CG . 6502 1 45 . 1 1 7 7 PRO CD C 13 50.511 0.500 . 1 . . . . 7 PRO CD . 6502 1 46 . 1 1 8 8 ASP H H 1 8.300 0.030 . 1 . . . . 8 ASP H . 6502 1 47 . 1 1 8 8 ASP HA H 1 4.519 0.030 . 1 . . . . 8 ASP HA . 6502 1 48 . 1 1 8 8 ASP HB2 H 1 2.658 0.030 . 1 . . . . 8 ASP HB2 . 6502 1 49 . 1 1 8 8 ASP HB3 H 1 2.639 0.030 . 1 . . . . 8 ASP HB3 . 6502 1 50 . 1 1 8 8 ASP C C 13 176.216 0.500 . 1 . . . . 8 ASP C . 6502 1 51 . 1 1 8 8 ASP CA C 13 54.269 0.500 . 1 . . . . 8 ASP CA . 6502 1 52 . 1 1 8 8 ASP CB C 13 41.212 0.500 . 1 . . . . 8 ASP CB . 6502 1 53 . 1 1 8 8 ASP N N 15 120.030 0.250 . 1 . . . . 8 ASP N . 6502 1 54 . 1 1 9 9 ALA H H 1 8.121 0.030 . 1 . . . . 9 ALA H . 6502 1 55 . 1 1 9 9 ALA HA H 1 4.230 0.030 . 1 . . . . 9 ALA HA . 6502 1 56 . 1 1 9 9 ALA HB1 H 1 1.380 0.030 . 1 . . . . 9 ALA HB . 6502 1 57 . 1 1 9 9 ALA HB2 H 1 1.380 0.030 . 1 . . . . 9 ALA HB . 6502 1 58 . 1 1 9 9 ALA HB3 H 1 1.380 0.030 . 1 . . . . 9 ALA HB . 6502 1 59 . 1 1 9 9 ALA C C 13 177.168 0.500 . 1 . . . . 9 ALA C . 6502 1 60 . 1 1 9 9 ALA CA C 13 53.039 0.500 . 1 . . . . 9 ALA CA . 6502 1 61 . 1 1 9 9 ALA CB C 13 19.267 0.500 . 1 . . . . 9 ALA CB . 6502 1 62 . 1 1 9 9 ALA N N 15 124.383 0.250 . 1 . . . . 9 ALA N . 6502 1 63 . 1 1 10 10 ALA H H 1 8.213 0.030 . 1 . . . . 10 ALA H . 6502 1 64 . 1 1 10 10 ALA HA H 1 4.273 0.030 . 1 . . . . 10 ALA HA . 6502 1 65 . 1 1 10 10 ALA HB1 H 1 1.395 0.030 . 1 . . . . 10 ALA HB . 6502 1 66 . 1 1 10 10 ALA HB2 H 1 1.395 0.030 . 1 . . . . 10 ALA HB . 6502 1 67 . 1 1 10 10 ALA HB3 H 1 1.395 0.030 . 1 . . . . 10 ALA HB . 6502 1 68 . 1 1 10 10 ALA C C 13 178.416 0.500 . 1 . . . . 10 ALA C . 6502 1 69 . 1 1 10 10 ALA CA C 13 53.220 0.500 . 1 . . . . 10 ALA CA . 6502 1 70 . 1 1 10 10 ALA CB C 13 18.948 0.500 . 1 . . . . 10 ALA CB . 6502 1 71 . 1 1 10 10 ALA N N 15 122.085 0.250 . 1 . . . . 10 ALA N . 6502 1 72 . 1 1 11 11 THR H H 1 7.864 0.030 . 1 . . . . 11 THR H . 6502 1 73 . 1 1 11 11 THR HA H 1 4.218 0.030 . 1 . . . . 11 THR HA . 6502 1 74 . 1 1 11 11 THR HB H 1 3.628 0.030 . 1 . . . . 11 THR HB . 6502 1 75 . 1 1 11 11 THR HG21 H 1 1.198 0.030 . 1 . . . . 11 THR HG2 . 6502 1 76 . 1 1 11 11 THR HG22 H 1 1.198 0.030 . 1 . . . . 11 THR HG2 . 6502 1 77 . 1 1 11 11 THR HG23 H 1 1.198 0.030 . 1 . . . . 11 THR HG2 . 6502 1 78 . 1 1 11 11 THR C C 13 174.542 0.500 . 1 . . . . 11 THR C . 6502 1 79 . 1 1 11 11 THR CA C 13 62.303 0.500 . 1 . . . . 11 THR CA . 6502 1 80 . 1 1 11 11 THR CB C 13 69.605 0.500 . 1 . . . . 11 THR CB . 6502 1 81 . 1 1 11 11 THR CG2 C 13 21.032 0.500 . 1 . . . . 11 THR CG2 . 6502 1 82 . 1 1 11 11 THR N N 15 112.663 0.250 . 1 . . . . 11 THR N . 6502 1 83 . 1 1 12 12 ALA H H 1 8.057 0.030 . 1 . . . . 12 ALA H . 6502 1 84 . 1 1 12 12 ALA HA H 1 4.276 0.030 . 1 . . . . 12 ALA HA . 6502 1 85 . 1 1 12 12 ALA HB1 H 1 1.358 0.030 . 1 . . . . 12 ALA HB . 6502 1 86 . 1 1 12 12 ALA HB2 H 1 1.358 0.030 . 1 . . . . 12 ALA HB . 6502 1 87 . 1 1 12 12 ALA HB3 H 1 1.358 0.030 . 1 . . . . 12 ALA HB . 6502 1 88 . 1 1 12 12 ALA C C 13 177.591 0.500 . 1 . . . . 12 ALA C . 6502 1 89 . 1 1 12 12 ALA CA C 13 52.762 0.500 . 1 . . . . 12 ALA CA . 6502 1 90 . 1 1 12 12 ALA CB C 13 19.211 0.500 . 1 . . . . 12 ALA CB . 6502 1 91 . 1 1 12 12 ALA N N 15 125.886 0.250 . 1 . . . . 12 ALA N . 6502 1 92 . 1 1 13 13 LEU H H 1 7.970 0.030 . 1 . . . . 13 LEU H . 6502 1 93 . 1 1 13 13 LEU HA H 1 4.257 0.030 . 1 . . . . 13 LEU HA . 6502 1 94 . 1 1 13 13 LEU HB2 H 1 1.617 0.030 . 1 . . . . 13 LEU HB2 . 6502 1 95 . 1 1 13 13 LEU HB3 H 1 1.571 0.030 . 1 . . . . 13 LEU HB3 . 6502 1 96 . 1 1 13 13 LEU HG H 1 1.423 0.030 . 1 . . . . 13 LEU HG . 6502 1 97 . 1 1 13 13 LEU HD11 H 1 0.849 0.030 . 1 . . . . 13 LEU HD1 . 6502 1 98 . 1 1 13 13 LEU HD12 H 1 0.849 0.030 . 1 . . . . 13 LEU HD1 . 6502 1 99 . 1 1 13 13 LEU HD13 H 1 0.849 0.030 . 1 . . . . 13 LEU HD1 . 6502 1 100 . 1 1 13 13 LEU HD21 H 1 0.901 0.030 . 1 . . . . 13 LEU HD2 . 6502 1 101 . 1 1 13 13 LEU HD22 H 1 0.901 0.030 . 1 . . . . 13 LEU HD2 . 6502 1 102 . 1 1 13 13 LEU HD23 H 1 0.901 0.030 . 1 . . . . 13 LEU HD2 . 6502 1 103 . 1 1 13 13 LEU C C 13 177.022 0.500 . 1 . . . . 13 LEU C . 6502 1 104 . 1 1 13 13 LEU CA C 13 55.143 0.500 . 1 . . . . 13 LEU CA . 6502 1 105 . 1 1 13 13 LEU CB C 13 42.510 0.500 . 1 . . . . 13 LEU CB . 6502 1 106 . 1 1 13 13 LEU CG C 13 26.976 0.500 . 1 . . . . 13 LEU CG . 6502 1 107 . 1 1 13 13 LEU CD1 C 13 23.479 0.500 . 1 . . . . 13 LEU CD1 . 6502 1 108 . 1 1 13 13 LEU CD2 C 13 24.818 0.500 . 1 . . . . 13 LEU CD2 . 6502 1 109 . 1 1 13 13 LEU N N 15 120.858 0.250 . 1 . . . . 13 LEU N . 6502 1 110 . 1 1 14 14 ALA H H 1 8.048 0.030 . 1 . . . . 14 ALA H . 6502 1 111 . 1 1 14 14 ALA HA H 1 4.313 0.030 . 1 . . . . 14 ALA HA . 6502 1 112 . 1 1 14 14 ALA HB1 H 1 1.347 0.030 . 1 . . . . 14 ALA HB . 6502 1 113 . 1 1 14 14 ALA HB2 H 1 1.347 0.030 . 1 . . . . 14 ALA HB . 6502 1 114 . 1 1 14 14 ALA HB3 H 1 1.347 0.030 . 1 . . . . 14 ALA HB . 6502 1 115 . 1 1 14 14 ALA C C 13 177.490 0.500 . 1 . . . . 14 ALA C . 6502 1 116 . 1 1 14 14 ALA CA C 13 52.390 0.500 . 1 . . . . 14 ALA CA . 6502 1 117 . 1 1 14 14 ALA CB C 13 19.261 0.500 . 1 . . . . 14 ALA CB . 6502 1 118 . 1 1 14 14 ALA N N 15 124.661 0.250 . 1 . . . . 14 ALA N . 6502 1 119 . 1 1 15 15 ILE H H 1 7.971 0.030 . 1 . . . . 15 ILE H . 6502 1 120 . 1 1 15 15 ILE HA H 1 4.192 0.030 . 1 . . . . 15 ILE HA . 6502 1 121 . 1 1 15 15 ILE HB H 1 1.855 0.030 . 1 . . . . 15 ILE HB . 6502 1 122 . 1 1 15 15 ILE HG12 H 1 1.176 0.030 . 1 . . . . 15 ILE HG12 . 6502 1 123 . 1 1 15 15 ILE HG13 H 1 1.462 0.030 . 1 . . . . 15 ILE HG13 . 6502 1 124 . 1 1 15 15 ILE HG21 H 1 0.884 0.030 . 1 . . . . 15 ILE HG2 . 6502 1 125 . 1 1 15 15 ILE HG22 H 1 0.884 0.030 . 1 . . . . 15 ILE HG2 . 6502 1 126 . 1 1 15 15 ILE HG23 H 1 0.884 0.030 . 1 . . . . 15 ILE HG2 . 6502 1 127 . 1 1 15 15 ILE HD11 H 1 0.840 0.030 . 1 . . . . 15 ILE HD1 . 6502 1 128 . 1 1 15 15 ILE HD12 H 1 0.840 0.030 . 1 . . . . 15 ILE HD1 . 6502 1 129 . 1 1 15 15 ILE HD13 H 1 0.840 0.030 . 1 . . . . 15 ILE HD1 . 6502 1 130 . 1 1 15 15 ILE C C 13 176.505 0.500 . 1 . . . . 15 ILE C . 6502 1 131 . 1 1 15 15 ILE CA C 13 61.148 0.500 . 1 . . . . 15 ILE CA . 6502 1 132 . 1 1 15 15 ILE CB C 13 38.782 0.500 . 1 . . . . 15 ILE CB . 6502 1 133 . 1 1 15 15 ILE CG1 C 13 27.181 0.500 . 1 . . . . 15 ILE CG1 . 6502 1 134 . 1 1 15 15 ILE CG2 C 13 17.566 0.500 . 1 . . . . 15 ILE CG2 . 6502 1 135 . 1 1 15 15 ILE CD1 C 13 12.633 0.500 . 1 . . . . 15 ILE CD1 . 6502 1 136 . 1 1 15 15 ILE N N 15 119.929 0.250 . 1 . . . . 15 ILE N . 6502 1 137 . 1 1 16 16 THR H H 1 8.082 0.030 . 1 . . . . 16 THR H . 6502 1 138 . 1 1 16 16 THR HA H 1 4.323 0.030 . 1 . . . . 16 THR HA . 6502 1 139 . 1 1 16 16 THR HB H 1 4.209 0.030 . 1 . . . . 16 THR HB . 6502 1 140 . 1 1 16 16 THR HG21 H 1 1.180 0.030 . 1 . . . . 16 THR HG2 . 6502 1 141 . 1 1 16 16 THR HG22 H 1 1.180 0.030 . 1 . . . . 16 THR HG2 . 6502 1 142 . 1 1 16 16 THR HG23 H 1 1.180 0.030 . 1 . . . . 16 THR HG2 . 6502 1 143 . 1 1 16 16 THR C C 13 174.262 0.500 . 1 . . . . 16 THR C . 6502 1 144 . 1 1 16 16 THR CA C 13 61.721 0.500 . 1 . . . . 16 THR CA . 6502 1 145 . 1 1 16 16 THR CB C 13 69.862 0.500 . 1 . . . . 16 THR CB . 6502 1 146 . 1 1 16 16 THR CG2 C 13 21.637 0.500 . 1 . . . . 16 THR CG2 . 6502 1 147 . 1 1 16 16 THR N N 15 117.992 0.250 . 1 . . . . 16 THR N . 6502 1 148 . 1 1 17 17 ALA H H 1 8.263 0.030 . 1 . . . . 17 ALA H . 6502 1 149 . 1 1 17 17 ALA HA H 1 4.309 0.030 . 1 . . . . 17 ALA HA . 6502 1 150 . 1 1 17 17 ALA HB1 H 1 1.361 0.030 . 1 . . . . 17 ALA HB . 6502 1 151 . 1 1 17 17 ALA HB2 H 1 1.361 0.030 . 1 . . . . 17 ALA HB . 6502 1 152 . 1 1 17 17 ALA HB3 H 1 1.361 0.030 . 1 . . . . 17 ALA HB . 6502 1 153 . 1 1 17 17 ALA C C 13 177.407 0.500 . 1 . . . . 17 ALA C . 6502 1 154 . 1 1 17 17 ALA CA C 13 52.646 0.500 . 1 . . . . 17 ALA CA . 6502 1 155 . 1 1 17 17 ALA CB C 13 19.442 0.500 . 1 . . . . 17 ALA CB . 6502 1 156 . 1 1 17 17 ALA N N 15 126.450 0.250 . 1 . . . . 17 ALA N . 6502 1 157 . 1 1 18 18 ASP H H 1 8.237 0.030 . 1 . . . . 18 ASP H . 6502 1 158 . 1 1 18 18 ASP HA H 1 4.568 0.030 . 1 . . . . 18 ASP HA . 6502 1 159 . 1 1 18 18 ASP HB2 H 1 2.678 0.030 . 1 . . . . 18 ASP HB2 . 6502 1 160 . 1 1 18 18 ASP HB3 H 1 2.612 0.030 . 1 . . . . 18 ASP HB3 . 6502 1 161 . 1 1 18 18 ASP C C 13 176.449 0.500 . 1 . . . . 18 ASP C . 6502 1 162 . 1 1 18 18 ASP CA C 13 54.556 0.500 . 1 . . . . 18 ASP CA . 6502 1 163 . 1 1 18 18 ASP CB C 13 41.245 0.500 . 1 . . . . 18 ASP CB . 6502 1 164 . 1 1 18 18 ASP N N 15 119.631 0.250 . 1 . . . . 18 ASP N . 6502 1 165 . 1 1 19 19 SER H H 1 8.120 0.030 . 1 . . . . 19 SER H . 6502 1 166 . 1 1 19 19 SER HA H 1 4.366 0.030 . 1 . . . . 19 SER HA . 6502 1 167 . 1 1 19 19 SER HB2 H 1 3.880 0.030 . 1 . . . . 19 SER HB2 . 6502 1 168 . 1 1 19 19 SER HB3 H 1 3.829 0.030 . 1 . . . . 19 SER HB3 . 6502 1 169 . 1 1 19 19 SER C C 13 174.648 0.500 . 1 . . . . 19 SER C . 6502 1 170 . 1 1 19 19 SER CA C 13 58.793 0.500 . 1 . . . . 19 SER CA . 6502 1 171 . 1 1 19 19 SER CB C 13 63.856 0.500 . 1 . . . . 19 SER CB . 6502 1 172 . 1 1 19 19 SER N N 15 115.641 0.250 . 1 . . . . 19 SER N . 6502 1 173 . 1 1 20 20 GLU H H 1 8.327 0.030 . 1 . . . . 20 GLU H . 6502 1 174 . 1 1 20 20 GLU HA H 1 4.319 0.030 . 1 . . . . 20 GLU HA . 6502 1 175 . 1 1 20 20 GLU HB2 H 1 2.054 0.030 . 1 . . . . 20 GLU HB2 . 6502 1 176 . 1 1 20 20 GLU HB3 H 1 1.939 0.030 . 1 . . . . 20 GLU HB3 . 6502 1 177 . 1 1 20 20 GLU HG2 H 1 2.268 0.030 . 1 . . . . 20 GLU HG2 . 6502 1 178 . 1 1 20 20 GLU HG3 H 1 2.201 0.030 . 1 . . . . 20 GLU HG3 . 6502 1 179 . 1 1 20 20 GLU C C 13 176.489 0.500 . 1 . . . . 20 GLU C . 6502 1 180 . 1 1 20 20 GLU CA C 13 56.728 0.500 . 1 . . . . 20 GLU CA . 6502 1 181 . 1 1 20 20 GLU CB C 13 30.378 0.500 . 1 . . . . 20 GLU CB . 6502 1 182 . 1 1 20 20 GLU CG C 13 36.289 0.500 . 1 . . . . 20 GLU CG . 6502 1 183 . 1 1 20 20 GLU N N 15 122.288 0.250 . 1 . . . . 20 GLU N . 6502 1 184 . 1 1 21 21 THR H H 1 8.033 0.030 . 1 . . . . 21 THR H . 6502 1 185 . 1 1 21 21 THR HA H 1 4.287 0.030 . 1 . . . . 21 THR HA . 6502 1 186 . 1 1 21 21 THR HB H 1 4.128 0.030 . 1 . . . . 21 THR HB . 6502 1 187 . 1 1 21 21 THR HG21 H 1 1.177 0.030 . 1 . . . . 21 THR HG2 . 6502 1 188 . 1 1 21 21 THR HG22 H 1 1.177 0.030 . 1 . . . . 21 THR HG2 . 6502 1 189 . 1 1 21 21 THR HG23 H 1 1.177 0.030 . 1 . . . . 21 THR HG2 . 6502 1 190 . 1 1 21 21 THR C C 13 174.207 0.500 . 1 . . . . 21 THR C . 6502 1 191 . 1 1 21 21 THR CA C 13 61.533 0.500 . 1 . . . . 21 THR CA . 6502 1 192 . 1 1 21 21 THR CB C 13 69.776 0.500 . 1 . . . . 21 THR CB . 6502 1 193 . 1 1 21 21 THR CG2 C 13 22.052 0.500 . 1 . . . . 21 THR CG2 . 6502 1 194 . 1 1 21 21 THR N N 15 115.376 0.250 . 1 . . . . 21 THR N . 6502 1 195 . 1 1 22 22 LEU H H 1 8.191 0.030 . 1 . . . . 22 LEU H . 6502 1 196 . 1 1 22 22 LEU HA H 1 4.589 0.030 . 1 . . . . 22 LEU HA . 6502 1 197 . 1 1 22 22 LEU HB2 H 1 1.567 0.030 . 1 . . . . 22 LEU HB2 . 6502 1 198 . 1 1 22 22 LEU HB3 H 1 1.494 0.030 . 1 . . . . 22 LEU HB3 . 6502 1 199 . 1 1 22 22 LEU HG H 1 1.632 0.030 . 1 . . . . 22 LEU HG . 6502 1 200 . 1 1 22 22 LEU HD11 H 1 0.867 0.030 . 1 . . . . 22 LEU HD1 . 6502 1 201 . 1 1 22 22 LEU HD12 H 1 0.867 0.030 . 1 . . . . 22 LEU HD1 . 6502 1 202 . 1 1 22 22 LEU HD13 H 1 0.867 0.030 . 1 . . . . 22 LEU HD1 . 6502 1 203 . 1 1 22 22 LEU HD21 H 1 0.872 0.030 . 1 . . . . 22 LEU HD2 . 6502 1 204 . 1 1 22 22 LEU HD22 H 1 0.872 0.030 . 1 . . . . 22 LEU HD2 . 6502 1 205 . 1 1 22 22 LEU HD23 H 1 0.872 0.030 . 1 . . . . 22 LEU HD2 . 6502 1 206 . 1 1 22 22 LEU CA C 13 53.091 0.500 . 1 . . . . 22 LEU CA . 6502 1 207 . 1 1 22 22 LEU CB C 13 41.893 0.500 . 1 . . . . 22 LEU CB . 6502 1 208 . 1 1 22 22 LEU CG C 13 23.618 0.500 . 1 . . . . 22 LEU CG . 6502 1 209 . 1 1 22 22 LEU CD1 C 13 25.322 0.500 . 1 . . . . 22 LEU CD1 . 6502 1 210 . 1 1 22 22 LEU CD2 C 13 26.982 0.500 . 1 . . . . 22 LEU CD2 . 6502 1 211 . 1 1 22 22 LEU N N 15 126.176 0.250 . 1 . . . . 22 LEU N . 6502 1 212 . 1 1 23 23 PRO HA H 1 4.417 0.030 . 1 . . . . 23 PRO HA . 6502 1 213 . 1 1 23 23 PRO HB2 H 1 2.292 0.030 . 1 . . . . 23 PRO HB2 . 6502 1 214 . 1 1 23 23 PRO HB3 H 1 1.898 0.030 . 1 . . . . 23 PRO HB3 . 6502 1 215 . 1 1 23 23 PRO HG2 H 1 2.003 0.030 . 2 . . . . 23 PRO HG2 . 6502 1 216 . 1 1 23 23 PRO HG3 H 1 2.003 0.030 . 2 . . . . 23 PRO HG3 . 6502 1 217 . 1 1 23 23 PRO HD2 H 1 3.744 0.030 . 1 . . . . 23 PRO HD2 . 6502 1 218 . 1 1 23 23 PRO HD3 H 1 3.644 0.030 . 1 . . . . 23 PRO HD3 . 6502 1 219 . 1 1 23 23 PRO C C 13 177.289 0.500 . 1 . . . . 23 PRO C . 6502 1 220 . 1 1 23 23 PRO CA C 13 63.223 0.500 . 1 . . . . 23 PRO CA . 6502 1 221 . 1 1 23 23 PRO CB C 13 32.092 0.500 . 1 . . . . 23 PRO CB . 6502 1 222 . 1 1 23 23 PRO CG C 13 27.472 0.500 . 1 . . . . 23 PRO CG . 6502 1 223 . 1 1 23 23 PRO CD C 13 50.480 0.500 . 1 . . . . 23 PRO CD . 6502 1 224 . 1 1 24 24 GLU H H 1 8.636 0.030 . 1 . . . . 24 GLU H . 6502 1 225 . 1 1 24 24 GLU HA H 1 4.142 0.030 . 1 . . . . 24 GLU HA . 6502 1 226 . 1 1 24 24 GLU HB2 H 1 2.308 0.030 . 1 . . . . 24 GLU HB2 . 6502 1 227 . 1 1 24 24 GLU HB3 H 1 2.041 0.030 . 1 . . . . 24 GLU HB3 . 6502 1 228 . 1 1 24 24 GLU HG2 H 1 2.229 0.030 . 2 . . . . 24 GLU HG2 . 6502 1 229 . 1 1 24 24 GLU HG3 H 1 2.229 0.030 . 2 . . . . 24 GLU HG3 . 6502 1 230 . 1 1 24 24 GLU C C 13 176.999 0.500 . 1 . . . . 24 GLU C . 6502 1 231 . 1 1 24 24 GLU CA C 13 57.614 0.500 . 1 . . . . 24 GLU CA . 6502 1 232 . 1 1 24 24 GLU CB C 13 29.624 0.500 . 1 . . . . 24 GLU CB . 6502 1 233 . 1 1 24 24 GLU CG C 13 36.452 0.500 . 1 . . . . 24 GLU CG . 6502 1 234 . 1 1 24 24 GLU N N 15 120.850 0.250 . 1 . . . . 24 GLU N . 6502 1 235 . 1 1 25 25 SER H H 1 8.128 0.030 . 1 . . . . 25 SER H . 6502 1 236 . 1 1 25 25 SER HA H 1 4.344 0.030 . 1 . . . . 25 SER HA . 6502 1 237 . 1 1 25 25 SER HB2 H 1 3.953 0.030 . 1 . . . . 25 SER HB2 . 6502 1 238 . 1 1 25 25 SER HB3 H 1 3.888 0.030 . 1 . . . . 25 SER HB3 . 6502 1 239 . 1 1 25 25 SER C C 13 175.091 0.500 . 1 . . . . 25 SER C . 6502 1 240 . 1 1 25 25 SER CA C 13 59.627 0.500 . 1 . . . . 25 SER CA . 6502 1 241 . 1 1 25 25 SER CB C 13 63.483 0.500 . 1 . . . . 25 SER CB . 6502 1 242 . 1 1 25 25 SER N N 15 114.375 0.250 . 1 . . . . 25 SER N . 6502 1 243 . 1 1 26 26 GLU H H 1 8.271 0.030 . 1 . . . . 26 GLU H . 6502 1 244 . 1 1 26 26 GLU HA H 1 4.279 0.030 . 1 . . . . 26 GLU HA . 6502 1 245 . 1 1 26 26 GLU HB2 H 1 2.044 0.030 . 1 . . . . 26 GLU HB2 . 6502 1 246 . 1 1 26 26 GLU HB3 H 1 1.874 0.030 . 1 . . . . 26 GLU HB3 . 6502 1 247 . 1 1 26 26 GLU HG2 H 1 2.264 0.030 . 1 . . . . 26 GLU HG2 . 6502 1 248 . 1 1 26 26 GLU HG3 H 1 2.175 0.030 . 1 . . . . 26 GLU HG3 . 6502 1 249 . 1 1 26 26 GLU C C 13 177.322 0.500 . 1 . . . . 26 GLU C . 6502 1 250 . 1 1 26 26 GLU CA C 13 56.883 0.500 . 1 . . . . 26 GLU CA . 6502 1 251 . 1 1 26 26 GLU CB C 13 29.931 0.500 . 1 . . . . 26 GLU CB . 6502 1 252 . 1 1 26 26 GLU CG C 13 36.232 0.500 . 1 . . . . 26 GLU CG . 6502 1 253 . 1 1 26 26 GLU N N 15 121.452 0.250 . 1 . . . . 26 GLU N . 6502 1 254 . 1 1 27 27 LYS H H 1 7.807 0.030 . 1 . . . . 27 LYS H . 6502 1 255 . 1 1 27 27 LYS HA H 1 4.154 0.030 . 1 . . . . 27 LYS HA . 6502 1 256 . 1 1 27 27 LYS HB2 H 1 1.438 0.030 . 1 . . . . 27 LYS HB2 . 6502 1 257 . 1 1 27 27 LYS HB3 H 1 1.438 0.030 . 1 . . . . 27 LYS HB3 . 6502 1 258 . 1 1 27 27 LYS HE2 H 1 2.976 0.030 . 1 . . . . 27 LYS HE2 . 6502 1 259 . 1 1 27 27 LYS HE3 H 1 2.976 0.030 . 1 . . . . 27 LYS HE3 . 6502 1 260 . 1 1 27 27 LYS C C 13 175.562 0.500 . 1 . . . . 27 LYS C . 6502 1 261 . 1 1 27 27 LYS CA C 13 56.473 0.500 . 1 . . . . 27 LYS CA . 6502 1 262 . 1 1 27 27 LYS CB C 13 33.824 0.500 . 1 . . . . 27 LYS CB . 6502 1 263 . 1 1 27 27 LYS CG C 13 24.544 0.500 . 1 . . . . 27 LYS CG . 6502 1 264 . 1 1 27 27 LYS CD C 13 29.062 0.500 . 1 . . . . 27 LYS CD . 6502 1 265 . 1 1 27 27 LYS CE C 13 41.910 0.500 . 1 . . . . 27 LYS CE . 6502 1 266 . 1 1 27 27 LYS N N 15 119.663 0.250 . 1 . . . . 27 LYS N . 6502 1 267 . 1 1 28 28 TYR H H 1 7.732 0.030 . 1 . . . . 28 TYR H . 6502 1 268 . 1 1 28 28 TYR HA H 1 5.267 0.030 . 1 . . . . 28 TYR HA . 6502 1 269 . 1 1 28 28 TYR HB2 H 1 3.054 0.030 . 1 . . . . 28 TYR HB2 . 6502 1 270 . 1 1 28 28 TYR HB3 H 1 2.601 0.030 . 1 . . . . 28 TYR HB3 . 6502 1 271 . 1 1 28 28 TYR HD1 H 1 7.082 0.030 . 1 . . . . 28 TYR HD1 . 6502 1 272 . 1 1 28 28 TYR HD2 H 1 7.082 0.030 . 1 . . . . 28 TYR HD2 . 6502 1 273 . 1 1 28 28 TYR HE1 H 1 6.613 0.030 . 3 . . . . 28 TYR HE1 . 6502 1 274 . 1 1 28 28 TYR HE2 H 1 6.613 0.030 . 3 . . . . 28 TYR HE2 . 6502 1 275 . 1 1 28 28 TYR C C 13 176.057 0.500 . 1 . . . . 28 TYR C . 6502 1 276 . 1 1 28 28 TYR CA C 13 56.569 0.500 . 1 . . . . 28 TYR CA . 6502 1 277 . 1 1 28 28 TYR CB C 13 40.264 0.500 . 1 . . . . 28 TYR CB . 6502 1 278 . 1 1 28 28 TYR N N 15 118.571 0.250 . 1 . . . . 28 TYR N . 6502 1 279 . 1 1 29 29 ASN H H 1 8.892 0.030 . 1 . . . . 29 ASN H . 6502 1 280 . 1 1 29 29 ASN HA H 1 4.981 0.030 . 1 . . . . 29 ASN HA . 6502 1 281 . 1 1 29 29 ASN HB2 H 1 2.770 0.030 . 1 . . . . 29 ASN HB2 . 6502 1 282 . 1 1 29 29 ASN HB3 H 1 2.898 0.030 . 1 . . . . 29 ASN HB3 . 6502 1 283 . 1 1 29 29 ASN HD21 H 1 8.159 0.030 . 1 . . . . 29 ASN HD21 . 6502 1 284 . 1 1 29 29 ASN HD22 H 1 7.145 0.030 . 1 . . . . 29 ASN HD22 . 6502 1 285 . 1 1 29 29 ASN CA C 13 50.900 0.500 . 1 . . . . 29 ASN CA . 6502 1 286 . 1 1 29 29 ASN CB C 13 38.616 0.500 . 1 . . . . 29 ASN CB . 6502 1 287 . 1 1 29 29 ASN N N 15 123.766 0.250 . 1 . . . . 29 ASN N . 6502 1 288 . 1 1 29 29 ASN ND2 N 15 114.110 0.250 . 1 . . . . 29 ASN ND2 . 6502 1 289 . 1 1 30 30 PRO HA H 1 4.329 0.030 . 1 . . . . 30 PRO HA . 6502 1 290 . 1 1 30 30 PRO HB2 H 1 2.370 0.030 . 1 . . . . 30 PRO HB2 . 6502 1 291 . 1 1 30 30 PRO HB3 H 1 2.058 0.030 . 1 . . . . 30 PRO HB3 . 6502 1 292 . 1 1 30 30 PRO HG2 H 1 2.135 0.030 . 2 . . . . 30 PRO HG2 . 6502 1 293 . 1 1 30 30 PRO HG3 H 1 2.135 0.030 . 2 . . . . 30 PRO HG3 . 6502 1 294 . 1 1 30 30 PRO HD2 H 1 3.665 0.030 . 1 . . . . 30 PRO HD2 . 6502 1 295 . 1 1 30 30 PRO HD3 H 1 3.551 0.030 . 1 . . . . 30 PRO HD3 . 6502 1 296 . 1 1 30 30 PRO C C 13 177.800 0.500 . 1 . . . . 30 PRO C . 6502 1 297 . 1 1 30 30 PRO CA C 13 65.416 0.500 . 1 . . . . 30 PRO CA . 6502 1 298 . 1 1 30 30 PRO CB C 13 32.207 0.500 . 1 . . . . 30 PRO CB . 6502 1 299 . 1 1 30 30 PRO CG C 13 27.448 0.500 . 1 . . . . 30 PRO CG . 6502 1 300 . 1 1 30 30 PRO CD C 13 56.986 0.500 . 1 . . . . 30 PRO CD . 6502 1 301 . 1 1 31 31 GLY H H 1 8.683 0.030 . 1 . . . . 31 GLY H . 6502 1 302 . 1 1 31 31 GLY HA2 H 1 4.061 0.030 . 1 . . . . 31 GLY HA2 . 6502 1 303 . 1 1 31 31 GLY HA3 H 1 3.931 0.030 . 1 . . . . 31 GLY HA3 . 6502 1 304 . 1 1 31 31 GLY CA C 13 48.270 0.500 . 1 . . . . 31 GLY CA . 6502 1 305 . 1 1 31 31 GLY N N 15 105.330 0.250 . 1 . . . . 31 GLY N . 6502 1 306 . 1 1 32 32 PRO HA H 1 4.208 0.030 . 1 . . . . 32 PRO HA . 6502 1 307 . 1 1 32 32 PRO HB2 H 1 2.161 0.030 . 1 . . . . 32 PRO HB2 . 6502 1 308 . 1 1 32 32 PRO HB3 H 1 1.937 0.030 . 1 . . . . 32 PRO HB3 . 6502 1 309 . 1 1 32 32 PRO HG2 H 1 2.197 0.030 . 2 . . . . 32 PRO HG2 . 6502 1 310 . 1 1 32 32 PRO HG3 H 1 2.197 0.030 . 2 . . . . 32 PRO HG3 . 6502 1 311 . 1 1 32 32 PRO HD2 H 1 3.549 0.030 . 2 . . . . 32 PRO HD2 . 6502 1 312 . 1 1 32 32 PRO HD3 H 1 3.549 0.030 . 2 . . . . 32 PRO HD3 . 6502 1 313 . 1 1 32 32 PRO CA C 13 65.417 0.500 . 1 . . . . 32 PRO CA . 6502 1 314 . 1 1 32 32 PRO CB C 13 33.707 0.500 . 1 . . . . 32 PRO CB . 6502 1 315 . 1 1 33 33 GLN H H 1 7.315 0.030 . 1 . . . . 33 GLN H . 6502 1 316 . 1 1 33 33 GLN HA H 1 3.898 0.030 . 1 . . . . 33 GLN HA . 6502 1 317 . 1 1 33 33 GLN HB2 H 1 2.197 0.030 . 1 . . . . 33 GLN HB2 . 6502 1 318 . 1 1 33 33 GLN HB3 H 1 2.102 0.030 . 1 . . . . 33 GLN HB3 . 6502 1 319 . 1 1 33 33 GLN HE21 H 1 6.818 0.030 . 1 . . . . 33 GLN HE21 . 6502 1 320 . 1 1 33 33 GLN HE22 H 1 6.535 0.030 . 1 . . . . 33 GLN HE22 . 6502 1 321 . 1 1 33 33 GLN C C 13 176.485 0.500 . 1 . . . . 33 GLN C . 6502 1 322 . 1 1 33 33 GLN CA C 13 60.005 0.500 . 1 . . . . 33 GLN CA . 6502 1 323 . 1 1 33 33 GLN CB C 13 29.875 0.500 . 1 . . . . 33 GLN CB . 6502 1 324 . 1 1 33 33 GLN N N 15 115.653 0.250 . 1 . . . . 33 GLN N . 6502 1 325 . 1 1 33 33 GLN NE2 N 15 108.434 0.250 . 1 . . . . 33 GLN NE2 . 6502 1 326 . 1 1 34 34 ASP H H 1 8.723 0.030 . 1 . . . . 34 ASP H . 6502 1 327 . 1 1 34 34 ASP HA H 1 4.362 0.030 . 1 . . . . 34 ASP HA . 6502 1 328 . 1 1 34 34 ASP HB2 H 1 2.940 0.030 . 1 . . . . 34 ASP HB2 . 6502 1 329 . 1 1 34 34 ASP HB3 H 1 2.502 0.030 . 1 . . . . 34 ASP HB3 . 6502 1 330 . 1 1 34 34 ASP C C 13 178.503 0.500 . 1 . . . . 34 ASP C . 6502 1 331 . 1 1 34 34 ASP CA C 13 57.225 0.500 . 1 . . . . 34 ASP CA . 6502 1 332 . 1 1 34 34 ASP CB C 13 40.328 0.500 . 1 . . . . 34 ASP CB . 6502 1 333 . 1 1 34 34 ASP N N 15 118.492 0.250 . 1 . . . . 34 ASP N . 6502 1 334 . 1 1 35 35 PHE H H 1 7.483 0.030 . 1 . . . . 35 PHE H . 6502 1 335 . 1 1 35 35 PHE HA H 1 3.908 0.030 . 1 . . . . 35 PHE HA . 6502 1 336 . 1 1 35 35 PHE HB2 H 1 3.216 0.030 . 1 . . . . 35 PHE HB2 . 6502 1 337 . 1 1 35 35 PHE HB3 H 1 2.693 0.030 . 1 . . . . 35 PHE HB3 . 6502 1 338 . 1 1 35 35 PHE HD1 H 1 6.761 0.030 . 1 . . . . 35 PHE HD1 . 6502 1 339 . 1 1 35 35 PHE HD2 H 1 6.761 0.030 . 1 . . . . 35 PHE HD2 . 6502 1 340 . 1 1 35 35 PHE HE1 H 1 6.939 0.030 . 1 . . . . 35 PHE HE1 . 6502 1 341 . 1 1 35 35 PHE HE2 H 1 6.939 0.030 . 1 . . . . 35 PHE HE2 . 6502 1 342 . 1 1 35 35 PHE HZ H 1 7.437 0.030 . 1 . . . . 35 PHE HZ . 6502 1 343 . 1 1 35 35 PHE C C 13 177.387 0.500 . 1 . . . . 35 PHE C . 6502 1 344 . 1 1 35 35 PHE CA C 13 60.934 0.500 . 1 . . . . 35 PHE CA . 6502 1 345 . 1 1 35 35 PHE CB C 13 43.063 0.500 . 1 . . . . 35 PHE CB . 6502 1 346 . 1 1 35 35 PHE N N 15 118.872 0.250 . 1 . . . . 35 PHE N . 6502 1 347 . 1 1 36 36 LEU H H 1 8.352 0.030 . 1 . . . . 36 LEU H . 6502 1 348 . 1 1 36 36 LEU HA H 1 4.003 0.030 . 1 . . . . 36 LEU HA . 6502 1 349 . 1 1 36 36 LEU HB2 H 1 1.602 0.030 . 2 . . . . 36 LEU HB2 . 6502 1 350 . 1 1 36 36 LEU HB3 H 1 1.602 0.030 . 2 . . . . 36 LEU HB3 . 6502 1 351 . 1 1 36 36 LEU HG H 1 1.490 0.030 . 1 . . . . 36 LEU HG . 6502 1 352 . 1 1 36 36 LEU HD11 H 1 0.542 0.030 . 1 . . . . 36 LEU HD1 . 6502 1 353 . 1 1 36 36 LEU HD12 H 1 0.542 0.030 . 1 . . . . 36 LEU HD1 . 6502 1 354 . 1 1 36 36 LEU HD13 H 1 0.542 0.030 . 1 . . . . 36 LEU HD1 . 6502 1 355 . 1 1 36 36 LEU HD21 H 1 0.969 0.030 . 1 . . . . 36 LEU HD2 . 6502 1 356 . 1 1 36 36 LEU HD22 H 1 0.969 0.030 . 1 . . . . 36 LEU HD2 . 6502 1 357 . 1 1 36 36 LEU HD23 H 1 0.969 0.030 . 1 . . . . 36 LEU HD2 . 6502 1 358 . 1 1 36 36 LEU C C 13 178.763 0.500 . 1 . . . . 36 LEU C . 6502 1 359 . 1 1 36 36 LEU CA C 13 58.176 0.500 . 1 . . . . 36 LEU CA . 6502 1 360 . 1 1 36 36 LEU CB C 13 43.154 0.500 . 1 . . . . 36 LEU CB . 6502 1 361 . 1 1 36 36 LEU CD1 C 13 26.603 0.500 . 1 . . . . 36 LEU CD1 . 6502 1 362 . 1 1 36 36 LEU CD2 C 13 24.956 0.500 . 1 . . . . 36 LEU CD2 . 6502 1 363 . 1 1 36 36 LEU N N 15 118.678 0.250 . 1 . . . . 36 LEU N . 6502 1 364 . 1 1 37 37 LEU H H 1 7.942 0.030 . 1 . . . . 37 LEU H . 6502 1 365 . 1 1 37 37 LEU HA H 1 3.768 0.030 . 1 . . . . 37 LEU HA . 6502 1 366 . 1 1 37 37 LEU HB2 H 1 1.752 0.030 . 1 . . . . 37 LEU HB2 . 6502 1 367 . 1 1 37 37 LEU HB3 H 1 1.489 0.030 . 1 . . . . 37 LEU HB3 . 6502 1 368 . 1 1 37 37 LEU HG H 1 1.802 0.030 . 1 . . . . 37 LEU HG . 6502 1 369 . 1 1 37 37 LEU HD11 H 1 0.737 0.030 . 1 . . . . 37 LEU HD1 . 6502 1 370 . 1 1 37 37 LEU HD12 H 1 0.737 0.030 . 1 . . . . 37 LEU HD1 . 6502 1 371 . 1 1 37 37 LEU HD13 H 1 0.737 0.030 . 1 . . . . 37 LEU HD1 . 6502 1 372 . 1 1 37 37 LEU HD21 H 1 0.823 0.030 . 1 . . . . 37 LEU HD2 . 6502 1 373 . 1 1 37 37 LEU HD22 H 1 0.823 0.030 . 1 . . . . 37 LEU HD2 . 6502 1 374 . 1 1 37 37 LEU HD23 H 1 0.823 0.030 . 1 . . . . 37 LEU HD2 . 6502 1 375 . 1 1 37 37 LEU C C 13 178.039 0.500 . 1 . . . . 37 LEU C . 6502 1 376 . 1 1 37 37 LEU CA C 13 56.316 0.500 . 1 . . . . 37 LEU CA . 6502 1 377 . 1 1 37 37 LEU CB C 13 41.610 0.500 . 1 . . . . 37 LEU CB . 6502 1 378 . 1 1 37 37 LEU CG C 13 27.863 0.500 . 1 . . . . 37 LEU CG . 6502 1 379 . 1 1 37 37 LEU CD1 C 13 27.877 0.500 . 1 . . . . 37 LEU CD1 . 6502 1 380 . 1 1 37 37 LEU CD2 C 13 24.416 0.500 . 1 . . . . 37 LEU CD2 . 6502 1 381 . 1 1 37 37 LEU N N 15 113.593 0.250 . 1 . . . . 37 LEU N . 6502 1 382 . 1 1 38 38 LYS H H 1 7.173 0.030 . 1 . . . . 38 LYS H . 6502 1 383 . 1 1 38 38 LYS HA H 1 4.216 0.030 . 1 . . . . 38 LYS HA . 6502 1 384 . 1 1 38 38 LYS HB2 H 1 1.844 0.030 . 1 . . . . 38 LYS HB2 . 6502 1 385 . 1 1 38 38 LYS HB3 H 1 1.740 0.030 . 1 . . . . 38 LYS HB3 . 6502 1 386 . 1 1 38 38 LYS HG2 H 1 1.183 0.030 . 1 . . . . 38 LYS HG2 . 6502 1 387 . 1 1 38 38 LYS HG3 H 1 1.183 0.030 . 1 . . . . 38 LYS HG3 . 6502 1 388 . 1 1 38 38 LYS HD2 H 1 1.383 0.030 . 1 . . . . 38 LYS HD2 . 6502 1 389 . 1 1 38 38 LYS HD3 H 1 1.383 0.030 . 1 . . . . 38 LYS HD3 . 6502 1 390 . 1 1 38 38 LYS HE2 H 1 2.977 0.030 . 2 . . . . 38 LYS HE2 . 6502 1 391 . 1 1 38 38 LYS HE3 H 1 2.977 0.030 . 2 . . . . 38 LYS HE3 . 6502 1 392 . 1 1 38 38 LYS CA C 13 54.586 0.500 . 1 . . . . 38 LYS CA . 6502 1 393 . 1 1 38 38 LYS CB C 13 33.537 0.500 . 1 . . . . 38 LYS CB . 6502 1 394 . 1 1 38 38 LYS CG C 13 18.643 0.500 . 1 . . . . 38 LYS CG . 6502 1 395 . 1 1 38 38 LYS CD C 13 24.788 0.500 . 1 . . . . 38 LYS CD . 6502 1 396 . 1 1 38 38 LYS CE C 13 42.374 0.500 . 1 . . . . 38 LYS CE . 6502 1 397 . 1 1 38 38 LYS N N 15 116.451 0.250 . 1 . . . . 38 LYS N . 6502 1 398 . 1 1 39 39 MET H H 1 7.853 0.030 . 1 . . . . 39 MET H . 6502 1 399 . 1 1 39 39 MET N N 15 121.886 0.250 . 1 . . . . 39 MET N . 6502 1 400 . 1 1 40 40 PRO HA H 1 3.938 0.030 . 1 . . . . 40 PRO HA . 6502 1 401 . 1 1 40 40 PRO C C 13 173.799 0.500 . 1 . . . . 40 PRO C . 6502 1 402 . 1 1 40 40 PRO CA C 13 63.651 0.500 . 1 . . . . 40 PRO CA . 6502 1 403 . 1 1 40 40 PRO CB C 13 32.057 0.500 . 1 . . . . 40 PRO CB . 6502 1 404 . 1 1 40 40 PRO CG C 13 27.411 0.500 . 1 . . . . 40 PRO CG . 6502 1 405 . 1 1 40 40 PRO CD C 13 50.649 0.500 . 1 . . . . 40 PRO CD . 6502 1 406 . 1 1 41 41 GLY H H 1 7.813 0.030 . 1 . . . . 41 GLY H . 6502 1 407 . 1 1 41 41 GLY HA2 H 1 3.945 0.030 . 1 . . . . 41 GLY HA2 . 6502 1 408 . 1 1 41 41 GLY HA3 H 1 4.426 0.030 . 1 . . . . 41 GLY HA3 . 6502 1 409 . 1 1 41 41 GLY CA C 13 45.009 0.500 . 1 . . . . 41 GLY CA . 6502 1 410 . 1 1 41 41 GLY N N 15 106.992 0.250 . 1 . . . . 41 GLY N . 6502 1 411 . 1 1 42 42 VAL H H 1 7.369 0.030 . 1 . . . . 42 VAL H . 6502 1 412 . 1 1 42 42 VAL HA H 1 4.265 0.030 . 1 . . . . 42 VAL HA . 6502 1 413 . 1 1 42 42 VAL HB H 1 2.138 0.030 . 1 . . . . 42 VAL HB . 6502 1 414 . 1 1 42 42 VAL HG11 H 1 0.781 0.030 . 1 . . . . 42 VAL HG1 . 6502 1 415 . 1 1 42 42 VAL HG12 H 1 0.781 0.030 . 1 . . . . 42 VAL HG1 . 6502 1 416 . 1 1 42 42 VAL HG13 H 1 0.781 0.030 . 1 . . . . 42 VAL HG1 . 6502 1 417 . 1 1 42 42 VAL HG21 H 1 0.686 0.030 . 1 . . . . 42 VAL HG2 . 6502 1 418 . 1 1 42 42 VAL HG22 H 1 0.686 0.030 . 1 . . . . 42 VAL HG2 . 6502 1 419 . 1 1 42 42 VAL HG23 H 1 0.686 0.030 . 1 . . . . 42 VAL HG2 . 6502 1 420 . 1 1 42 42 VAL C C 13 175.669 0.500 . 1 . . . . 42 VAL C . 6502 1 421 . 1 1 42 42 VAL CA C 13 61.726 0.500 . 1 . . . . 42 VAL CA . 6502 1 422 . 1 1 42 42 VAL CB C 13 31.595 0.500 . 1 . . . . 42 VAL CB . 6502 1 423 . 1 1 42 42 VAL CG1 C 13 22.442 0.500 . 1 . . . . 42 VAL CG1 . 6502 1 424 . 1 1 42 42 VAL CG2 C 13 22.755 0.500 . 1 . . . . 42 VAL CG2 . 6502 1 425 . 1 1 42 42 VAL N N 15 119.771 0.250 . 1 . . . . 42 VAL N . 6502 1 426 . 1 1 43 43 ASN H H 1 9.216 0.030 . 1 . . . . 43 ASN H . 6502 1 427 . 1 1 43 43 ASN HA H 1 4.763 0.030 . 1 . . . . 43 ASN HA . 6502 1 428 . 1 1 43 43 ASN HB2 H 1 3.061 0.030 . 1 . . . . 43 ASN HB2 . 6502 1 429 . 1 1 43 43 ASN HB3 H 1 2.778 0.030 . 1 . . . . 43 ASN HB3 . 6502 1 430 . 1 1 43 43 ASN HD21 H 1 7.604 0.030 . 1 . . . . 43 ASN HD21 . 6502 1 431 . 1 1 43 43 ASN HD22 H 1 6.450 0.030 . 1 . . . . 43 ASN HD22 . 6502 1 432 . 1 1 43 43 ASN CA C 13 51.601 0.500 . 1 . . . . 43 ASN CA . 6502 1 433 . 1 1 43 43 ASN CB C 13 40.750 0.500 . 1 . . . . 43 ASN CB . 6502 1 434 . 1 1 43 43 ASN N N 15 123.721 0.250 . 1 . . . . 43 ASN N . 6502 1 435 . 1 1 43 43 ASN ND2 N 15 114.840 0.250 . 1 . . . . 43 ASN ND2 . 6502 1 436 . 1 1 45 45 LYS HA H 1 4.229 0.030 . 1 . . . . 45 LYS HA . 6502 1 437 . 1 1 45 45 LYS HB2 H 1 1.819 0.030 . 2 . . . . 45 LYS HB2 . 6502 1 438 . 1 1 45 45 LYS HB3 H 1 1.819 0.030 . 2 . . . . 45 LYS HB3 . 6502 1 439 . 1 1 45 45 LYS C C 13 177.217 0.500 . 1 . . . . 45 LYS C . 6502 1 440 . 1 1 46 46 ASN H H 1 8.105 0.030 . 1 . . . . 46 ASN H . 6502 1 441 . 1 1 46 46 ASN HA H 1 4.755 0.030 . 1 . . . . 46 ASN HA . 6502 1 442 . 1 1 46 46 ASN HB2 H 1 3.135 0.030 . 1 . . . . 46 ASN HB2 . 6502 1 443 . 1 1 46 46 ASN HB3 H 1 2.772 0.030 . 1 . . . . 46 ASN HB3 . 6502 1 444 . 1 1 46 46 ASN HD21 H 1 7.663 0.030 . 1 . . . . 46 ASN HD21 . 6502 1 445 . 1 1 46 46 ASN HD22 H 1 7.395 0.030 . 1 . . . . 46 ASN HD22 . 6502 1 446 . 1 1 46 46 ASN C C 13 179.225 0.500 . 1 . . . . 46 ASN C . 6502 1 447 . 1 1 46 46 ASN CA C 13 53.195 0.500 . 1 . . . . 46 ASN CA . 6502 1 448 . 1 1 46 46 ASN CB C 13 39.653 0.500 . 1 . . . . 46 ASN CB . 6502 1 449 . 1 1 46 46 ASN N N 15 117.086 0.250 . 1 . . . . 46 ASN N . 6502 1 450 . 1 1 46 46 ASN ND2 N 15 108.699 0.250 . 1 . . . . 46 ASN ND2 . 6502 1 451 . 1 1 47 47 CYS H H 1 8.021 0.030 . 1 . . . . 47 CYS H . 6502 1 452 . 1 1 47 47 CYS HA H 1 3.919 0.030 . 1 . . . . 47 CYS HA . 6502 1 453 . 1 1 47 47 CYS HB2 H 1 2.940 0.030 . 1 . . . . 47 CYS HB2 . 6502 1 454 . 1 1 47 47 CYS HB3 H 1 2.541 0.030 . 1 . . . . 47 CYS HB3 . 6502 1 455 . 1 1 47 47 CYS C C 13 176.086 0.500 . 1 . . . . 47 CYS C . 6502 1 456 . 1 1 47 47 CYS CA C 13 61.439 0.500 . 1 . . . . 47 CYS CA . 6502 1 457 . 1 1 47 47 CYS CB C 13 26.572 0.500 . 1 . . . . 47 CYS CB . 6502 1 458 . 1 1 47 47 CYS N N 15 118.790 0.250 . 1 . . . . 47 CYS N . 6502 1 459 . 1 1 48 48 ARG H H 1 7.983 0.030 . 1 . . . . 48 ARG H . 6502 1 460 . 1 1 48 48 ARG HA H 1 3.735 0.030 . 1 . . . . 48 ARG HA . 6502 1 461 . 1 1 48 48 ARG HB2 H 1 1.830 0.030 . 1 . . . . 48 ARG HB2 . 6502 1 462 . 1 1 48 48 ARG HB3 H 1 1.773 0.030 . 1 . . . . 48 ARG HB3 . 6502 1 463 . 1 1 48 48 ARG HG2 H 1 1.671 0.030 . 1 . . . . 48 ARG HG2 . 6502 1 464 . 1 1 48 48 ARG HG3 H 1 1.592 0.030 . 1 . . . . 48 ARG HG3 . 6502 1 465 . 1 1 48 48 ARG HD2 H 1 3.122 0.030 . 1 . . . . 48 ARG HD2 . 6502 1 466 . 1 1 48 48 ARG HD3 H 1 3.122 0.030 . 1 . . . . 48 ARG HD3 . 6502 1 467 . 1 1 48 48 ARG C C 13 178.430 0.500 . 1 . . . . 48 ARG C . 6502 1 468 . 1 1 48 48 ARG CA C 13 59.767 0.500 . 1 . . . . 48 ARG CA . 6502 1 469 . 1 1 48 48 ARG CB C 13 29.452 0.500 . 1 . . . . 48 ARG CB . 6502 1 470 . 1 1 48 48 ARG N N 15 121.907 0.250 . 1 . . . . 48 ARG N . 6502 1 471 . 1 1 49 49 SER H H 1 7.785 0.030 . 1 . . . . 49 SER H . 6502 1 472 . 1 1 49 49 SER HA H 1 4.278 0.030 . 1 . . . . 49 SER HA . 6502 1 473 . 1 1 49 49 SER HB2 H 1 3.956 0.030 . 2 . . . . 49 SER HB2 . 6502 1 474 . 1 1 49 49 SER HB3 H 1 3.956 0.030 . 2 . . . . 49 SER HB3 . 6502 1 475 . 1 1 49 49 SER C C 13 177.594 0.500 . 1 . . . . 49 SER C . 6502 1 476 . 1 1 49 49 SER CA C 13 61.529 0.500 . 1 . . . . 49 SER CA . 6502 1 477 . 1 1 49 49 SER CB C 13 62.496 0.500 . 1 . . . . 49 SER CB . 6502 1 478 . 1 1 49 49 SER N N 15 114.923 0.250 . 1 . . . . 49 SER N . 6502 1 479 . 1 1 50 50 LEU H H 1 7.250 0.030 . 1 . . . . 50 LEU H . 6502 1 480 . 1 1 50 50 LEU HA H 1 3.860 0.030 . 1 . . . . 50 LEU HA . 6502 1 481 . 1 1 50 50 LEU HB2 H 1 1.458 0.030 . 1 . . . . 50 LEU HB2 . 6502 1 482 . 1 1 50 50 LEU HB3 H 1 1.380 0.030 . 1 . . . . 50 LEU HB3 . 6502 1 483 . 1 1 50 50 LEU HG H 1 1.627 0.030 . 1 . . . . 50 LEU HG . 6502 1 484 . 1 1 50 50 LEU HD11 H 1 0.698 0.030 . 1 . . . . 50 LEU HD1 . 6502 1 485 . 1 1 50 50 LEU HD12 H 1 0.698 0.030 . 1 . . . . 50 LEU HD1 . 6502 1 486 . 1 1 50 50 LEU HD13 H 1 0.698 0.030 . 1 . . . . 50 LEU HD1 . 6502 1 487 . 1 1 50 50 LEU HD21 H 1 0.789 0.030 . 1 . . . . 50 LEU HD2 . 6502 1 488 . 1 1 50 50 LEU HD22 H 1 0.789 0.030 . 1 . . . . 50 LEU HD2 . 6502 1 489 . 1 1 50 50 LEU HD23 H 1 0.789 0.030 . 1 . . . . 50 LEU HD2 . 6502 1 490 . 1 1 50 50 LEU C C 13 177.700 0.500 . 1 . . . . 50 LEU C . 6502 1 491 . 1 1 50 50 LEU CA C 13 58.856 0.500 . 1 . . . . 50 LEU CA . 6502 1 492 . 1 1 50 50 LEU CB C 13 42.381 0.500 . 1 . . . . 50 LEU CB . 6502 1 493 . 1 1 50 50 LEU CG C 13 23.169 0.500 . 1 . . . . 50 LEU CG . 6502 1 494 . 1 1 50 50 LEU CD1 C 13 24.648 0.500 . 1 . . . . 50 LEU CD1 . 6502 1 495 . 1 1 50 50 LEU CD2 C 13 26.396 0.500 . 1 . . . . 50 LEU CD2 . 6502 1 496 . 1 1 50 50 LEU N N 15 121.037 0.250 . 1 . . . . 50 LEU N . 6502 1 497 . 1 1 51 51 MET H H 1 7.707 0.030 . 1 . . . . 51 MET H . 6502 1 498 . 1 1 51 51 MET HA H 1 3.553 0.030 . 1 . . . . 51 MET HA . 6502 1 499 . 1 1 51 51 MET HB2 H 1 1.561 0.030 . 2 . . . . 51 MET HB2 . 6502 1 500 . 1 1 51 51 MET HB3 H 1 1.561 0.030 . 2 . . . . 51 MET HB3 . 6502 1 501 . 1 1 51 51 MET HG2 H 1 2.140 0.030 . 1 . . . . 51 MET HG2 . 6502 1 502 . 1 1 51 51 MET HG3 H 1 1.971 0.030 . 1 . . . . 51 MET HG3 . 6502 1 503 . 1 1 51 51 MET C C 13 175.411 0.500 . 1 . . . . 51 MET C . 6502 1 504 . 1 1 51 51 MET CA C 13 58.866 0.500 . 1 . . . . 51 MET CA . 6502 1 505 . 1 1 51 51 MET CB C 13 33.736 0.500 . 1 . . . . 51 MET CB . 6502 1 506 . 1 1 51 51 MET CG C 13 28.987 0.500 . 1 . . . . 51 MET CG . 6502 1 507 . 1 1 51 51 MET N N 15 114.079 0.250 . 1 . . . . 51 MET N . 6502 1 508 . 1 1 52 52 HIS H H 1 7.596 0.030 . 1 . . . . 52 HIS H . 6502 1 509 . 1 1 52 52 HIS HA H 1 4.489 0.030 . 1 . . . . 52 HIS HA . 6502 1 510 . 1 1 52 52 HIS HB2 H 1 3.127 0.030 . 1 . . . . 52 HIS HB2 . 6502 1 511 . 1 1 52 52 HIS HB3 H 1 2.997 0.030 . 1 . . . . 52 HIS HB3 . 6502 1 512 . 1 1 52 52 HIS HD2 H 1 8.088 0.030 . 1 . . . . 52 HIS HD2 . 6502 1 513 . 1 1 52 52 HIS HE1 H 1 7.087 0.030 . 1 . . . . 52 HIS HE1 . 6502 1 514 . 1 1 52 52 HIS C C 13 175.604 0.500 . 1 . . . . 52 HIS C . 6502 1 515 . 1 1 52 52 HIS CA C 13 57.328 0.500 . 1 . . . . 52 HIS CA . 6502 1 516 . 1 1 52 52 HIS CB C 13 29.666 0.500 . 1 . . . . 52 HIS CB . 6502 1 517 . 1 1 52 52 HIS N N 15 112.010 0.250 . 1 . . . . 52 HIS N . 6502 1 518 . 1 1 53 53 HIS H H 1 7.733 0.030 . 1 . . . . 53 HIS H . 6502 1 519 . 1 1 53 53 HIS HA H 1 4.648 0.030 . 1 . . . . 53 HIS HA . 6502 1 520 . 1 1 53 53 HIS HB2 H 1 3.337 0.030 . 1 . . . . 53 HIS HB2 . 6502 1 521 . 1 1 53 53 HIS HB3 H 1 3.005 0.030 . 1 . . . . 53 HIS HB3 . 6502 1 522 . 1 1 53 53 HIS HD2 H 1 8.088 0.030 . 1 . . . . 53 HIS HD2 . 6502 1 523 . 1 1 53 53 HIS HE1 H 1 7.087 0.030 . 1 . . . . 53 HIS HE1 . 6502 1 524 . 1 1 53 53 HIS C C 13 173.877 0.500 . 1 . . . . 53 HIS C . 6502 1 525 . 1 1 53 53 HIS CA C 13 58.145 0.500 . 1 . . . . 53 HIS CA . 6502 1 526 . 1 1 53 53 HIS CB C 13 32.149 0.500 . 1 . . . . 53 HIS CB . 6502 1 527 . 1 1 53 53 HIS N N 15 116.352 0.250 . 1 . . . . 53 HIS N . 6502 1 528 . 1 1 54 54 VAL H H 1 7.937 0.030 . 1 . . . . 54 VAL H . 6502 1 529 . 1 1 54 54 VAL HA H 1 4.477 0.030 . 1 . . . . 54 VAL HA . 6502 1 530 . 1 1 54 54 VAL HB H 1 2.320 0.030 . 1 . . . . 54 VAL HB . 6502 1 531 . 1 1 54 54 VAL HG11 H 1 1.034 0.030 . 1 . . . . 54 VAL HG1 . 6502 1 532 . 1 1 54 54 VAL HG12 H 1 1.034 0.030 . 1 . . . . 54 VAL HG1 . 6502 1 533 . 1 1 54 54 VAL HG13 H 1 1.034 0.030 . 1 . . . . 54 VAL HG1 . 6502 1 534 . 1 1 54 54 VAL HG21 H 1 1.161 0.030 . 1 . . . . 54 VAL HG2 . 6502 1 535 . 1 1 54 54 VAL HG22 H 1 1.161 0.030 . 1 . . . . 54 VAL HG2 . 6502 1 536 . 1 1 54 54 VAL HG23 H 1 1.161 0.030 . 1 . . . . 54 VAL HG2 . 6502 1 537 . 1 1 54 54 VAL C C 13 175.709 0.500 . 1 . . . . 54 VAL C . 6502 1 538 . 1 1 54 54 VAL CA C 13 60.587 0.500 . 1 . . . . 54 VAL CA . 6502 1 539 . 1 1 54 54 VAL CB C 13 34.059 0.500 . 1 . . . . 54 VAL CB . 6502 1 540 . 1 1 54 54 VAL CG1 C 13 21.544 0.500 . 1 . . . . 54 VAL CG1 . 6502 1 541 . 1 1 54 54 VAL CG2 C 13 23.081 0.500 . 1 . . . . 54 VAL CG2 . 6502 1 542 . 1 1 54 54 VAL N N 15 118.097 0.250 . 1 . . . . 54 VAL N . 6502 1 543 . 1 1 55 55 LYS H H 1 8.895 0.030 . 1 . . . . 55 LYS H . 6502 1 544 . 1 1 55 55 LYS HA H 1 4.002 0.030 . 1 . . . . 55 LYS HA . 6502 1 545 . 1 1 55 55 LYS HB2 H 1 1.827 0.030 . 1 . . . . 55 LYS HB2 . 6502 1 546 . 1 1 55 55 LYS HB3 H 1 1.509 0.030 . 1 . . . . 55 LYS HB3 . 6502 1 547 . 1 1 55 55 LYS HG2 H 1 1.521 0.030 . 2 . . . . 55 LYS HG2 . 6502 1 548 . 1 1 55 55 LYS HG3 H 1 1.521 0.030 . 2 . . . . 55 LYS HG3 . 6502 1 549 . 1 1 55 55 LYS HD2 H 1 1.675 0.030 . 2 . . . . 55 LYS HD2 . 6502 1 550 . 1 1 55 55 LYS HD3 H 1 1.675 0.030 . 2 . . . . 55 LYS HD3 . 6502 1 551 . 1 1 55 55 LYS HE2 H 1 2.975 0.030 . 2 . . . . 55 LYS HE2 . 6502 1 552 . 1 1 55 55 LYS HE3 H 1 2.975 0.030 . 2 . . . . 55 LYS HE3 . 6502 1 553 . 1 1 55 55 LYS C C 13 176.373 0.500 . 1 . . . . 55 LYS C . 6502 1 554 . 1 1 55 55 LYS CA C 13 59.903 0.500 . 1 . . . . 55 LYS CA . 6502 1 555 . 1 1 55 55 LYS CB C 13 34.006 0.500 . 1 . . . . 55 LYS CB . 6502 1 556 . 1 1 55 55 LYS CG C 13 25.072 0.500 . 1 . . . . 55 LYS CG . 6502 1 557 . 1 1 55 55 LYS CD C 13 29.041 0.500 . 1 . . . . 55 LYS CD . 6502 1 558 . 1 1 55 55 LYS CE C 13 41.724 0.500 . 1 . . . . 55 LYS CE . 6502 1 559 . 1 1 55 55 LYS N N 15 122.800 0.250 . 1 . . . . 55 LYS N . 6502 1 560 . 1 1 56 56 ASN H H 1 7.287 0.030 . 1 . . . . 56 ASN H . 6502 1 561 . 1 1 56 56 ASN HB2 H 1 3.110 0.030 . 2 . . . . 56 ASN HB2 . 6502 1 562 . 1 1 56 56 ASN HB3 H 1 3.110 0.030 . 2 . . . . 56 ASN HB3 . 6502 1 563 . 1 1 56 56 ASN HD21 H 1 6.863 0.030 . 1 . . . . 56 ASN HD21 . 6502 1 564 . 1 1 56 56 ASN HD22 H 1 7.601 0.030 . 1 . . . . 56 ASN HD22 . 6502 1 565 . 1 1 56 56 ASN CA C 13 50.746 0.500 . 1 . . . . 56 ASN CA . 6502 1 566 . 1 1 56 56 ASN CB C 13 39.598 0.500 . 1 . . . . 56 ASN CB . 6502 1 567 . 1 1 56 56 ASN N N 15 112.740 0.250 . 1 . . . . 56 ASN N . 6502 1 568 . 1 1 56 56 ASN ND2 N 15 109.779 0.250 . 1 . . . . 56 ASN ND2 . 6502 1 569 . 1 1 57 57 ILE H H 1 9.041 0.030 . 1 . . . . 57 ILE H . 6502 1 570 . 1 1 57 57 ILE HA H 1 3.504 0.030 . 1 . . . . 57 ILE HA . 6502 1 571 . 1 1 57 57 ILE HB H 1 1.618 0.030 . 1 . . . . 57 ILE HB . 6502 1 572 . 1 1 57 57 ILE HG12 H 1 1.173 0.030 . 1 . . . . 57 ILE HG12 . 6502 1 573 . 1 1 57 57 ILE HG13 H 1 1.000 0.030 . 1 . . . . 57 ILE HG13 . 6502 1 574 . 1 1 57 57 ILE HG21 H 1 0.552 0.030 . 1 . . . . 57 ILE HG2 . 6502 1 575 . 1 1 57 57 ILE HG22 H 1 0.552 0.030 . 1 . . . . 57 ILE HG2 . 6502 1 576 . 1 1 57 57 ILE HG23 H 1 0.552 0.030 . 1 . . . . 57 ILE HG2 . 6502 1 577 . 1 1 57 57 ILE HD11 H 1 0.840 0.030 . 1 . . . . 57 ILE HD1 . 6502 1 578 . 1 1 57 57 ILE HD12 H 1 0.840 0.030 . 1 . . . . 57 ILE HD1 . 6502 1 579 . 1 1 57 57 ILE HD13 H 1 0.840 0.030 . 1 . . . . 57 ILE HD1 . 6502 1 580 . 1 1 57 57 ILE CA C 13 64.817 0.500 . 1 . . . . 57 ILE CA . 6502 1 581 . 1 1 57 57 ILE CB C 13 35.992 0.500 . 1 . . . . 57 ILE CB . 6502 1 582 . 1 1 57 57 ILE CG1 C 13 30.513 0.500 . 1 . . . . 57 ILE CG1 . 6502 1 583 . 1 1 57 57 ILE CG2 C 13 17.206 0.500 . 1 . . . . 57 ILE CG2 . 6502 1 584 . 1 1 57 57 ILE CD1 C 13 12.641 0.500 . 1 . . . . 57 ILE CD1 . 6502 1 585 . 1 1 57 57 ILE N N 15 120.864 0.250 . 1 . . . . 57 ILE N . 6502 1 586 . 1 1 58 58 ALA H H 1 6.953 0.030 . 1 . . . . 58 ALA H . 6502 1 587 . 1 1 58 58 ALA HA H 1 3.736 0.030 . 1 . . . . 58 ALA HA . 6502 1 588 . 1 1 58 58 ALA HB1 H 1 1.372 0.030 . 1 . . . . 58 ALA HB . 6502 1 589 . 1 1 58 58 ALA HB2 H 1 1.372 0.030 . 1 . . . . 58 ALA HB . 6502 1 590 . 1 1 58 58 ALA HB3 H 1 1.372 0.030 . 1 . . . . 58 ALA HB . 6502 1 591 . 1 1 58 58 ALA C C 13 180.243 0.500 . 1 . . . . 58 ALA C . 6502 1 592 . 1 1 58 58 ALA CA C 13 54.978 0.500 . 1 . . . . 58 ALA CA . 6502 1 593 . 1 1 58 58 ALA CB C 13 17.664 0.500 . 1 . . . . 58 ALA CB . 6502 1 594 . 1 1 58 58 ALA N N 15 119.901 0.250 . 1 . . . . 58 ALA N . 6502 1 595 . 1 1 59 59 GLU H H 1 8.194 0.030 . 1 . . . . 59 GLU H . 6502 1 596 . 1 1 59 59 GLU HA H 1 3.976 0.030 . 1 . . . . 59 GLU HA . 6502 1 597 . 1 1 59 59 GLU HB2 H 1 2.191 0.030 . 1 . . . . 59 GLU HB2 . 6502 1 598 . 1 1 59 59 GLU HB3 H 1 2.057 0.030 . 1 . . . . 59 GLU HB3 . 6502 1 599 . 1 1 59 59 GLU HG2 H 1 2.641 0.030 . 1 . . . . 59 GLU HG2 . 6502 1 600 . 1 1 59 59 GLU HG3 H 1 2.620 0.030 . 1 . . . . 59 GLU HG3 . 6502 1 601 . 1 1 59 59 GLU C C 13 179.232 0.500 . 1 . . . . 59 GLU C . 6502 1 602 . 1 1 59 59 GLU CA C 13 59.288 0.500 . 1 . . . . 59 GLU CA . 6502 1 603 . 1 1 59 59 GLU CB C 13 29.780 0.500 . 1 . . . . 59 GLU CB . 6502 1 604 . 1 1 59 59 GLU CG C 13 37.528 0.500 . 1 . . . . 59 GLU CG . 6502 1 605 . 1 1 59 59 GLU N N 15 118.361 0.250 . 1 . . . . 59 GLU N . 6502 1 606 . 1 1 60 60 LEU H H 1 7.866 0.030 . 1 . . . . 60 LEU H . 6502 1 607 . 1 1 60 60 LEU HA H 1 4.003 0.030 . 1 . . . . 60 LEU HA . 6502 1 608 . 1 1 60 60 LEU HB2 H 1 1.997 0.030 . 1 . . . . 60 LEU HB2 . 6502 1 609 . 1 1 60 60 LEU HB3 H 1 1.862 0.030 . 1 . . . . 60 LEU HB3 . 6502 1 610 . 1 1 60 60 LEU HG H 1 1.492 0.030 . 1 . . . . 60 LEU HG . 6502 1 611 . 1 1 60 60 LEU HD11 H 1 0.974 0.030 . 1 . . . . 60 LEU HD1 . 6502 1 612 . 1 1 60 60 LEU HD12 H 1 0.974 0.030 . 1 . . . . 60 LEU HD1 . 6502 1 613 . 1 1 60 60 LEU HD13 H 1 0.974 0.030 . 1 . . . . 60 LEU HD1 . 6502 1 614 . 1 1 60 60 LEU HD21 H 1 1.032 0.030 . 1 . . . . 60 LEU HD2 . 6502 1 615 . 1 1 60 60 LEU HD22 H 1 1.032 0.030 . 1 . . . . 60 LEU HD2 . 6502 1 616 . 1 1 60 60 LEU HD23 H 1 1.032 0.030 . 1 . . . . 60 LEU HD2 . 6502 1 617 . 1 1 60 60 LEU C C 13 179.033 0.500 . 1 . . . . 60 LEU C . 6502 1 618 . 1 1 60 60 LEU CA C 13 57.907 0.500 . 1 . . . . 60 LEU CA . 6502 1 619 . 1 1 60 60 LEU CB C 13 42.413 0.500 . 1 . . . . 60 LEU CB . 6502 1 620 . 1 1 60 60 LEU CG C 13 26.307 0.500 . 1 . . . . 60 LEU CG . 6502 1 621 . 1 1 60 60 LEU CD1 C 13 24.176 0.500 . 1 . . . . 60 LEU CD1 . 6502 1 622 . 1 1 60 60 LEU CD2 C 13 26.647 0.500 . 1 . . . . 60 LEU CD2 . 6502 1 623 . 1 1 60 60 LEU N N 15 119.596 0.250 . 1 . . . . 60 LEU N . 6502 1 624 . 1 1 61 61 ALA H H 1 7.591 0.030 . 1 . . . . 61 ALA H . 6502 1 625 . 1 1 61 61 ALA HA H 1 3.908 0.030 . 1 . . . . 61 ALA HA . 6502 1 626 . 1 1 61 61 ALA HB1 H 1 1.341 0.030 . 1 . . . . 61 ALA HB . 6502 1 627 . 1 1 61 61 ALA HB2 H 1 1.341 0.030 . 1 . . . . 61 ALA HB . 6502 1 628 . 1 1 61 61 ALA HB3 H 1 1.341 0.030 . 1 . . . . 61 ALA HB . 6502 1 629 . 1 1 61 61 ALA C C 13 175.738 0.500 . 1 . . . . 61 ALA C . 6502 1 630 . 1 1 61 61 ALA CA C 13 54.156 0.500 . 1 . . . . 61 ALA CA . 6502 1 631 . 1 1 61 61 ALA CB C 13 19.020 0.500 . 1 . . . . 61 ALA CB . 6502 1 632 . 1 1 61 61 ALA N N 15 116.818 0.250 . 1 . . . . 61 ALA N . 6502 1 633 . 1 1 62 62 ALA H H 1 7.406 0.030 . 1 . . . . 62 ALA H . 6502 1 634 . 1 1 62 62 ALA HA H 1 4.518 0.030 . 1 . . . . 62 ALA HA . 6502 1 635 . 1 1 62 62 ALA HB1 H 1 1.533 0.030 . 1 . . . . 62 ALA HB . 6502 1 636 . 1 1 62 62 ALA HB2 H 1 1.533 0.030 . 1 . . . . 62 ALA HB . 6502 1 637 . 1 1 62 62 ALA HB3 H 1 1.533 0.030 . 1 . . . . 62 ALA HB . 6502 1 638 . 1 1 62 62 ALA C C 13 178.025 0.500 . 1 . . . . 62 ALA C . 6502 1 639 . 1 1 62 62 ALA CA C 13 51.921 0.500 . 1 . . . . 62 ALA CA . 6502 1 640 . 1 1 62 62 ALA CB C 13 19.643 0.500 . 1 . . . . 62 ALA CB . 6502 1 641 . 1 1 62 62 ALA N N 15 118.213 0.250 . 1 . . . . 62 ALA N . 6502 1 642 . 1 1 63 63 LEU H H 1 7.002 0.030 . 1 . . . . 63 LEU H . 6502 1 643 . 1 1 63 63 LEU HA H 1 4.550 0.030 . 1 . . . . 63 LEU HA . 6502 1 644 . 1 1 63 63 LEU HB2 H 1 1.824 0.030 . 1 . . . . 63 LEU HB2 . 6502 1 645 . 1 1 63 63 LEU HB3 H 1 1.549 0.030 . 1 . . . . 63 LEU HB3 . 6502 1 646 . 1 1 63 63 LEU HG H 1 1.530 0.030 . 1 . . . . 63 LEU HG . 6502 1 647 . 1 1 63 63 LEU HD11 H 1 0.874 0.030 . 1 . . . . 63 LEU HD1 . 6502 1 648 . 1 1 63 63 LEU HD12 H 1 0.874 0.030 . 1 . . . . 63 LEU HD1 . 6502 1 649 . 1 1 63 63 LEU HD13 H 1 0.874 0.030 . 1 . . . . 63 LEU HD1 . 6502 1 650 . 1 1 63 63 LEU HD21 H 1 0.914 0.030 . 1 . . . . 63 LEU HD2 . 6502 1 651 . 1 1 63 63 LEU HD22 H 1 0.914 0.030 . 1 . . . . 63 LEU HD2 . 6502 1 652 . 1 1 63 63 LEU HD23 H 1 0.914 0.030 . 1 . . . . 63 LEU HD2 . 6502 1 653 . 1 1 63 63 LEU C C 13 177.835 0.500 . 1 . . . . 63 LEU C . 6502 1 654 . 1 1 63 63 LEU CA C 13 54.884 0.500 . 1 . . . . 63 LEU CA . 6502 1 655 . 1 1 63 63 LEU CB C 13 43.434 0.500 . 1 . . . . 63 LEU CB . 6502 1 656 . 1 1 63 63 LEU CD1 C 13 22.928 0.500 . 1 . . . . 63 LEU CD1 . 6502 1 657 . 1 1 63 63 LEU CD2 C 13 27.251 0.500 . 1 . . . . 63 LEU CD2 . 6502 1 658 . 1 1 63 63 LEU N N 15 118.590 0.250 . 1 . . . . 63 LEU N . 6502 1 659 . 1 1 64 64 SER H H 1 9.427 0.030 . 1 . . . . 64 SER H . 6502 1 660 . 1 1 64 64 SER HA H 1 4.596 0.030 . 1 . . . . 64 SER HA . 6502 1 661 . 1 1 64 64 SER HB2 H 1 4.051 0.030 . 2 . . . . 64 SER HB2 . 6502 1 662 . 1 1 64 64 SER HB3 H 1 4.051 0.030 . 2 . . . . 64 SER HB3 . 6502 1 663 . 1 1 64 64 SER C C 13 174.709 0.500 . 1 . . . . 64 SER C . 6502 1 664 . 1 1 64 64 SER CA C 13 57.180 0.500 . 1 . . . . 64 SER CA . 6502 1 665 . 1 1 64 64 SER CB C 13 65.334 0.500 . 1 . . . . 64 SER CB . 6502 1 666 . 1 1 64 64 SER N N 15 119.207 0.250 . 1 . . . . 64 SER N . 6502 1 667 . 1 1 65 65 GLN H H 1 8.715 0.030 . 1 . . . . 65 GLN H . 6502 1 668 . 1 1 65 65 GLN HA H 1 3.565 0.030 . 1 . . . . 65 GLN HA . 6502 1 669 . 1 1 65 65 GLN HB2 H 1 1.079 0.030 . 1 . . . . 65 GLN HB2 . 6502 1 670 . 1 1 65 65 GLN HB3 H 1 1.533 0.030 . 1 . . . . 65 GLN HB3 . 6502 1 671 . 1 1 65 65 GLN HE21 H 1 7.121 0.030 . 1 . . . . 65 GLN HE21 . 6502 1 672 . 1 1 65 65 GLN HE22 H 1 6.545 0.030 . 1 . . . . 65 GLN HE22 . 6502 1 673 . 1 1 65 65 GLN C C 13 179.075 0.500 . 1 . . . . 65 GLN C . 6502 1 674 . 1 1 65 65 GLN CA C 13 60.303 0.500 . 1 . . . . 65 GLN CA . 6502 1 675 . 1 1 65 65 GLN CB C 13 28.251 0.500 . 1 . . . . 65 GLN CB . 6502 1 676 . 1 1 65 65 GLN N N 15 121.867 0.250 . 1 . . . . 65 GLN N . 6502 1 677 . 1 1 65 65 GLN NE2 N 15 109.826 0.250 . 1 . . . . 65 GLN NE2 . 6502 1 678 . 1 1 66 66 ASP H H 1 8.414 0.030 . 1 . . . . 66 ASP H . 6502 1 679 . 1 1 66 66 ASP HA H 1 4.273 0.030 . 1 . . . . 66 ASP HA . 6502 1 680 . 1 1 66 66 ASP HB2 H 1 2.557 0.030 . 1 . . . . 66 ASP HB2 . 6502 1 681 . 1 1 66 66 ASP HB3 H 1 2.485 0.030 . 1 . . . . 66 ASP HB3 . 6502 1 682 . 1 1 66 66 ASP C C 13 178.992 0.500 . 1 . . . . 66 ASP C . 6502 1 683 . 1 1 66 66 ASP CA C 13 57.778 0.500 . 1 . . . . 66 ASP CA . 6502 1 684 . 1 1 66 66 ASP CB C 13 40.339 0.500 . 1 . . . . 66 ASP CB . 6502 1 685 . 1 1 66 66 ASP N N 15 120.118 0.250 . 1 . . . . 66 ASP N . 6502 1 686 . 1 1 67 67 GLU H H 1 7.961 0.030 . 1 . . . . 67 GLU H . 6502 1 687 . 1 1 67 67 GLU HA H 1 4.007 0.030 . 1 . . . . 67 GLU HA . 6502 1 688 . 1 1 67 67 GLU HB2 H 1 2.312 0.030 . 1 . . . . 67 GLU HB2 . 6502 1 689 . 1 1 67 67 GLU HB3 H 1 1.925 0.030 . 1 . . . . 67 GLU HB3 . 6502 1 690 . 1 1 67 67 GLU HG2 H 1 2.372 0.030 . 1 . . . . 67 GLU HG2 . 6502 1 691 . 1 1 67 67 GLU HG3 H 1 2.253 0.030 . 1 . . . . 67 GLU HG3 . 6502 1 692 . 1 1 67 67 GLU C C 13 179.947 0.500 . 1 . . . . 67 GLU C . 6502 1 693 . 1 1 67 67 GLU CA C 13 59.624 0.500 . 1 . . . . 67 GLU CA . 6502 1 694 . 1 1 67 67 GLU CB C 13 30.231 0.500 . 1 . . . . 67 GLU CB . 6502 1 695 . 1 1 67 67 GLU CG C 13 34.191 0.500 . 1 . . . . 67 GLU CG . 6502 1 696 . 1 1 67 67 GLU N N 15 122.538 0.250 . 1 . . . . 67 GLU N . 6502 1 697 . 1 1 68 68 LEU H H 1 8.330 0.030 . 1 . . . . 68 LEU H . 6502 1 698 . 1 1 68 68 LEU HA H 1 3.949 0.030 . 1 . . . . 68 LEU HA . 6502 1 699 . 1 1 68 68 LEU HB2 H 1 1.351 0.030 . 1 . . . . 68 LEU HB2 . 6502 1 700 . 1 1 68 68 LEU HB3 H 1 2.087 0.030 . 1 . . . . 68 LEU HB3 . 6502 1 701 . 1 1 68 68 LEU C C 13 178.615 0.500 . 1 . . . . 68 LEU C . 6502 1 702 . 1 1 68 68 LEU CA C 13 57.986 0.500 . 1 . . . . 68 LEU CA . 6502 1 703 . 1 1 68 68 LEU CB C 13 43.001 0.500 . 1 . . . . 68 LEU CB . 6502 1 704 . 1 1 68 68 LEU N N 15 118.827 0.250 . 1 . . . . 68 LEU N . 6502 1 705 . 1 1 69 69 THR H H 1 8.379 0.030 . 1 . . . . 69 THR H . 6502 1 706 . 1 1 69 69 THR C C 13 178.720 0.500 . 1 . . . . 69 THR C . 6502 1 707 . 1 1 69 69 THR N N 15 119.319 0.250 . 1 . . . . 69 THR N . 6502 1 708 . 1 1 70 70 SER H H 1 7.564 0.030 . 1 . . . . 70 SER H . 6502 1 709 . 1 1 70 70 SER HA H 1 4.099 0.030 . 1 . . . . 70 SER HA . 6502 1 710 . 1 1 70 70 SER HB2 H 1 3.912 0.030 . 2 . . . . 70 SER HB2 . 6502 1 711 . 1 1 70 70 SER HB3 H 1 3.912 0.030 . 2 . . . . 70 SER HB3 . 6502 1 712 . 1 1 70 70 SER C C 13 176.038 0.500 . 1 . . . . 70 SER C . 6502 1 713 . 1 1 70 70 SER N N 15 117.040 0.250 . 1 . . . . 70 SER N . 6502 1 714 . 1 1 71 71 ILE H H 1 7.587 0.030 . 1 . . . . 71 ILE H . 6502 1 715 . 1 1 71 71 ILE HA H 1 3.505 0.030 . 1 . . . . 71 ILE HA . 6502 1 716 . 1 1 71 71 ILE HB H 1 1.518 0.030 . 1 . . . . 71 ILE HB . 6502 1 717 . 1 1 71 71 ILE HG12 H 1 1.616 0.030 . 2 . . . . 71 ILE HG12 . 6502 1 718 . 1 1 71 71 ILE HG13 H 1 1.616 0.030 . 2 . . . . 71 ILE HG13 . 6502 1 719 . 1 1 71 71 ILE HG21 H 1 0.464 0.030 . 1 . . . . 71 ILE HG2 . 6502 1 720 . 1 1 71 71 ILE HG22 H 1 0.464 0.030 . 1 . . . . 71 ILE HG2 . 6502 1 721 . 1 1 71 71 ILE HG23 H 1 0.464 0.030 . 1 . . . . 71 ILE HG2 . 6502 1 722 . 1 1 71 71 ILE HD11 H 1 0.634 0.030 . 1 . . . . 71 ILE HD1 . 6502 1 723 . 1 1 71 71 ILE HD12 H 1 0.634 0.030 . 1 . . . . 71 ILE HD1 . 6502 1 724 . 1 1 71 71 ILE HD13 H 1 0.634 0.030 . 1 . . . . 71 ILE HD1 . 6502 1 725 . 1 1 71 71 ILE C C 13 177.354 0.500 . 1 . . . . 71 ILE C . 6502 1 726 . 1 1 71 71 ILE CA C 13 64.282 0.500 . 1 . . . . 71 ILE CA . 6502 1 727 . 1 1 71 71 ILE CB C 13 39.422 0.500 . 1 . . . . 71 ILE CB . 6502 1 728 . 1 1 71 71 ILE CG1 C 13 28.578 0.500 . 1 . . . . 71 ILE CG1 . 6502 1 729 . 1 1 71 71 ILE CG2 C 13 17.585 0.500 . 1 . . . . 71 ILE CG2 . 6502 1 730 . 1 1 71 71 ILE CD1 C 13 14.505 0.500 . 1 . . . . 71 ILE CD1 . 6502 1 731 . 1 1 71 71 ILE N N 15 119.282 0.250 . 1 . . . . 71 ILE N . 6502 1 732 . 1 1 72 72 LEU H H 1 8.492 0.030 . 1 . . . . 72 LEU H . 6502 1 733 . 1 1 72 72 LEU HA H 1 4.154 0.030 . 1 . . . . 72 LEU HA . 6502 1 734 . 1 1 72 72 LEU HB2 H 1 1.445 0.030 . 2 . . . . 72 LEU HB2 . 6502 1 735 . 1 1 72 72 LEU HB3 H 1 1.445 0.030 . 2 . . . . 72 LEU HB3 . 6502 1 736 . 1 1 72 72 LEU HD11 H 1 0.711 0.030 . 1 . . . . 72 LEU HD1 . 6502 1 737 . 1 1 72 72 LEU HD12 H 1 0.711 0.030 . 1 . . . . 72 LEU HD1 . 6502 1 738 . 1 1 72 72 LEU HD13 H 1 0.711 0.030 . 1 . . . . 72 LEU HD1 . 6502 1 739 . 1 1 72 72 LEU HD21 H 1 0.765 0.030 . 1 . . . . 72 LEU HD2 . 6502 1 740 . 1 1 72 72 LEU HD22 H 1 0.765 0.030 . 1 . . . . 72 LEU HD2 . 6502 1 741 . 1 1 72 72 LEU HD23 H 1 0.765 0.030 . 1 . . . . 72 LEU HD2 . 6502 1 742 . 1 1 72 72 LEU C C 13 178.890 0.500 . 1 . . . . 72 LEU C . 6502 1 743 . 1 1 72 72 LEU CA C 13 56.278 0.500 . 1 . . . . 72 LEU CA . 6502 1 744 . 1 1 72 72 LEU CB C 13 42.549 0.500 . 1 . . . . 72 LEU CB . 6502 1 745 . 1 1 72 72 LEU CG C 13 27.281 0.500 . 1 . . . . 72 LEU CG . 6502 1 746 . 1 1 72 72 LEU CD1 C 13 25.165 0.500 . 1 . . . . 72 LEU CD1 . 6502 1 747 . 1 1 72 72 LEU CD2 C 13 27.281 0.500 . 1 . . . . 72 LEU CD2 . 6502 1 748 . 1 1 72 72 LEU N N 15 115.591 0.250 . 1 . . . . 72 LEU N . 6502 1 749 . 1 1 73 73 GLY H H 1 8.120 0.030 . 1 . . . . 73 GLY H . 6502 1 750 . 1 1 73 73 GLY HA2 H 1 4.092 0.030 . 1 . . . . 73 GLY HA2 . 6502 1 751 . 1 1 73 73 GLY HA3 H 1 3.830 0.030 . 1 . . . . 73 GLY HA3 . 6502 1 752 . 1 1 73 73 GLY C C 13 173.417 0.500 . 1 . . . . 73 GLY C . 6502 1 753 . 1 1 73 73 GLY CA C 13 46.005 0.500 . 1 . . . . 73 GLY CA . 6502 1 754 . 1 1 73 73 GLY N N 15 107.922 0.250 . 1 . . . . 73 GLY N . 6502 1 755 . 1 1 74 74 ASN H H 1 6.591 0.030 . 1 . . . . 74 ASN H . 6502 1 756 . 1 1 74 74 ASN HB2 H 1 2.754 0.030 . 1 . . . . 74 ASN HB2 . 6502 1 757 . 1 1 74 74 ASN HB3 H 1 2.638 0.030 . 1 . . . . 74 ASN HB3 . 6502 1 758 . 1 1 74 74 ASN HD21 H 1 7.774 0.030 . 1 . . . . 74 ASN HD21 . 6502 1 759 . 1 1 74 74 ASN HD22 H 1 6.878 0.030 . 1 . . . . 74 ASN HD22 . 6502 1 760 . 1 1 74 74 ASN CA C 13 53.730 0.500 . 1 . . . . 74 ASN CA . 6502 1 761 . 1 1 74 74 ASN CB C 13 41.595 0.500 . 1 . . . . 74 ASN CB . 6502 1 762 . 1 1 74 74 ASN N N 15 114.462 0.250 . 1 . . . . 74 ASN N . 6502 1 763 . 1 1 74 74 ASN ND2 N 15 113.632 0.250 . 1 . . . . 74 ASN ND2 . 6502 1 764 . 1 1 76 76 ALA H H 1 8.331 0.030 . 1 . . . . 76 ALA H . 6502 1 765 . 1 1 76 76 ALA HA H 1 4.176 0.030 . 1 . . . . 76 ALA HA . 6502 1 766 . 1 1 76 76 ALA HB1 H 1 1.460 0.030 . 1 . . . . 76 ALA HB . 6502 1 767 . 1 1 76 76 ALA HB2 H 1 1.460 0.030 . 1 . . . . 76 ALA HB . 6502 1 768 . 1 1 76 76 ALA HB3 H 1 1.460 0.030 . 1 . . . . 76 ALA HB . 6502 1 769 . 1 1 76 76 ALA CA C 13 55.325 0.500 . 1 . . . . 76 ALA CA . 6502 1 770 . 1 1 76 76 ALA CB C 13 17.711 0.500 . 1 . . . . 76 ALA CB . 6502 1 771 . 1 1 76 76 ALA N N 15 123.291 0.250 . 1 . . . . 76 ALA N . 6502 1 772 . 1 1 77 77 ASN H H 1 8.361 0.030 . 1 . . . . 77 ASN H . 6502 1 773 . 1 1 77 77 ASN HA H 1 4.425 0.030 . 1 . . . . 77 ASN HA . 6502 1 774 . 1 1 77 77 ASN HB2 H 1 3.283 0.030 . 1 . . . . 77 ASN HB2 . 6502 1 775 . 1 1 77 77 ASN HB3 H 1 2.397 0.030 . 1 . . . . 77 ASN HB3 . 6502 1 776 . 1 1 77 77 ASN HD21 H 1 7.419 0.030 . 1 . . . . 77 ASN HD21 . 6502 1 777 . 1 1 77 77 ASN HD22 H 1 6.904 0.030 . 1 . . . . 77 ASN HD22 . 6502 1 778 . 1 1 77 77 ASN C C 13 176.483 0.500 . 1 . . . . 77 ASN C . 6502 1 779 . 1 1 77 77 ASN CA C 13 56.111 0.500 . 1 . . . . 77 ASN CA . 6502 1 780 . 1 1 77 77 ASN CB C 13 37.931 0.500 . 1 . . . . 77 ASN CB . 6502 1 781 . 1 1 77 77 ASN N N 15 118.142 0.250 . 1 . . . . 77 ASN N . 6502 1 782 . 1 1 77 77 ASN ND2 N 15 109.734 0.250 . 1 . . . . 77 ASN ND2 . 6502 1 783 . 1 1 78 78 ALA H H 1 7.540 0.030 . 1 . . . . 78 ALA H . 6502 1 784 . 1 1 78 78 ALA HA H 1 3.813 0.030 . 1 . . . . 78 ALA HA . 6502 1 785 . 1 1 78 78 ALA HB1 H 1 1.423 0.030 . 1 . . . . 78 ALA HB . 6502 1 786 . 1 1 78 78 ALA HB2 H 1 1.423 0.030 . 1 . . . . 78 ALA HB . 6502 1 787 . 1 1 78 78 ALA HB3 H 1 1.423 0.030 . 1 . . . . 78 ALA HB . 6502 1 788 . 1 1 78 78 ALA C C 13 178.308 0.500 . 1 . . . . 78 ALA C . 6502 1 789 . 1 1 78 78 ALA CA C 13 55.357 0.500 . 1 . . . . 78 ALA CA . 6502 1 790 . 1 1 78 78 ALA CB C 13 20.269 0.500 . 1 . . . . 78 ALA CB . 6502 1 791 . 1 1 78 78 ALA N N 15 119.660 0.250 . 1 . . . . 78 ALA N . 6502 1 792 . 1 1 79 79 LYS H H 1 8.009 0.030 . 1 . . . . 79 LYS H . 6502 1 793 . 1 1 79 79 LYS HA H 1 3.950 0.030 . 1 . . . . 79 LYS HA . 6502 1 794 . 1 1 79 79 LYS HB2 H 1 1.946 0.030 . 2 . . . . 79 LYS HB2 . 6502 1 795 . 1 1 79 79 LYS HB3 H 1 1.946 0.030 . 2 . . . . 79 LYS HB3 . 6502 1 796 . 1 1 79 79 LYS C C 13 177.663 0.500 . 1 . . . . 79 LYS C . 6502 1 797 . 1 1 79 79 LYS CA C 13 59.779 0.500 . 1 . . . . 79 LYS CA . 6502 1 798 . 1 1 79 79 LYS CB C 13 32.500 0.500 . 1 . . . . 79 LYS CB . 6502 1 799 . 1 1 79 79 LYS N N 15 118.665 0.250 . 1 . . . . 79 LYS N . 6502 1 800 . 1 1 80 80 GLN H H 1 7.661 0.030 . 1 . . . . 80 GLN H . 6502 1 801 . 1 1 80 80 GLN HA H 1 4.062 0.030 . 1 . . . . 80 GLN HA . 6502 1 802 . 1 1 80 80 GLN HB2 H 1 1.936 0.030 . 1 . . . . 80 GLN HB2 . 6502 1 803 . 1 1 80 80 GLN HB3 H 1 1.815 0.030 . 1 . . . . 80 GLN HB3 . 6502 1 804 . 1 1 80 80 GLN HG2 H 1 2.419 0.030 . 1 . . . . 80 GLN HG2 . 6502 1 805 . 1 1 80 80 GLN HG3 H 1 2.419 0.030 . 1 . . . . 80 GLN HG3 . 6502 1 806 . 1 1 80 80 GLN HE21 H 1 7.164 0.030 . 1 . . . . 80 GLN HE21 . 6502 1 807 . 1 1 80 80 GLN HE22 H 1 6.688 0.030 . 1 . . . . 80 GLN HE22 . 6502 1 808 . 1 1 80 80 GLN CA C 13 59.313 0.500 . 1 . . . . 80 GLN CA . 6502 1 809 . 1 1 80 80 GLN CB C 13 29.064 0.500 . 1 . . . . 80 GLN CB . 6502 1 810 . 1 1 80 80 GLN N N 15 116.265 0.250 . 1 . . . . 80 GLN N . 6502 1 811 . 1 1 80 80 GLN NE2 N 15 110.122 0.250 . 1 . . . . 80 GLN NE2 . 6502 1 812 . 1 1 81 81 LEU H H 1 7.835 0.030 . 1 . . . . 81 LEU H . 6502 1 813 . 1 1 81 81 LEU HA H 1 3.290 0.030 . 1 . . . . 81 LEU HA . 6502 1 814 . 1 1 81 81 LEU HB2 H 1 1.399 0.030 . 1 . . . . 81 LEU HB2 . 6502 1 815 . 1 1 81 81 LEU HB3 H 1 1.685 0.030 . 1 . . . . 81 LEU HB3 . 6502 1 816 . 1 1 81 81 LEU HD11 H 1 0.672 0.030 . 0 . . . . 81 LEU HD1 . 6502 1 817 . 1 1 81 81 LEU HD12 H 1 0.672 0.030 . 0 . . . . 81 LEU HD1 . 6502 1 818 . 1 1 81 81 LEU HD13 H 1 0.672 0.030 . 0 . . . . 81 LEU HD1 . 6502 1 819 . 1 1 81 81 LEU CA C 13 58.140 0.500 . 1 . . . . 81 LEU CA . 6502 1 820 . 1 1 81 81 LEU CB C 13 42.568 0.500 . 1 . . . . 81 LEU CB . 6502 1 821 . 1 1 81 81 LEU N N 15 121.886 0.250 . 1 . . . . 81 LEU N . 6502 1 822 . 1 1 82 82 TYR H H 1 8.872 0.030 . 1 . . . . 82 TYR H . 6502 1 823 . 1 1 82 82 TYR HA H 1 3.818 0.030 . 1 . . . . 82 TYR HA . 6502 1 824 . 1 1 82 82 TYR HD1 H 1 7.196 0.030 . 3 . . . . 82 TYR HD1 . 6502 1 825 . 1 1 82 82 TYR HD2 H 1 7.196 0.030 . 3 . . . . 82 TYR HD2 . 6502 1 826 . 1 1 82 82 TYR HE1 H 1 6.786 0.030 . 3 . . . . 82 TYR HE1 . 6502 1 827 . 1 1 82 82 TYR HE2 H 1 6.786 0.030 . 3 . . . . 82 TYR HE2 . 6502 1 828 . 1 1 82 82 TYR C C 13 178.828 0.500 . 1 . . . . 82 TYR C . 6502 1 829 . 1 1 82 82 TYR CA C 13 63.623 0.500 . 1 . . . . 82 TYR CA . 6502 1 830 . 1 1 82 82 TYR CB C 13 39.661 0.500 . 1 . . . . 82 TYR CB . 6502 1 831 . 1 1 82 82 TYR N N 15 119.747 0.250 . 1 . . . . 82 TYR N . 6502 1 832 . 1 1 83 83 ASP H H 1 9.255 0.030 . 1 . . . . 83 ASP H . 6502 1 833 . 1 1 83 83 ASP HA H 1 4.637 0.030 . 1 . . . . 83 ASP HA . 6502 1 834 . 1 1 83 83 ASP HB2 H 1 2.929 0.030 . 2 . . . . 83 ASP HB2 . 6502 1 835 . 1 1 83 83 ASP HB3 H 1 2.929 0.030 . 2 . . . . 83 ASP HB3 . 6502 1 836 . 1 1 83 83 ASP C C 13 179.684 0.500 . 1 . . . . 83 ASP C . 6502 1 837 . 1 1 83 83 ASP CA C 13 57.142 0.500 . 1 . . . . 83 ASP CA . 6502 1 838 . 1 1 83 83 ASP CB C 13 38.703 0.500 . 1 . . . . 83 ASP CB . 6502 1 839 . 1 1 83 83 ASP N N 15 118.973 0.250 . 1 . . . . 83 ASP N . 6502 1 840 . 1 1 84 84 PHE H H 1 8.034 0.030 . 1 . . . . 84 PHE H . 6502 1 841 . 1 1 84 84 PHE HA H 1 4.434 0.030 . 1 . . . . 84 PHE HA . 6502 1 842 . 1 1 84 84 PHE HB2 H 1 3.807 0.030 . 1 . . . . 84 PHE HB2 . 6502 1 843 . 1 1 84 84 PHE HB3 H 1 3.362 0.030 . 1 . . . . 84 PHE HB3 . 6502 1 844 . 1 1 84 84 PHE HD1 H 1 6.945 0.030 . 3 . . . . 84 PHE HD1 . 6502 1 845 . 1 1 84 84 PHE HD2 H 1 6.945 0.030 . 3 . . . . 84 PHE HD2 . 6502 1 846 . 1 1 84 84 PHE HE1 H 1 6.710 0.030 . 3 . . . . 84 PHE HE1 . 6502 1 847 . 1 1 84 84 PHE HE2 H 1 6.710 0.030 . 3 . . . . 84 PHE HE2 . 6502 1 848 . 1 1 84 84 PHE HZ H 1 7.175 0.030 . 1 . . . . 84 PHE HZ . 6502 1 849 . 1 1 84 84 PHE C C 13 175.666 0.500 . 1 . . . . 84 PHE C . 6502 1 850 . 1 1 84 84 PHE CA C 13 61.369 0.500 . 1 . . . . 84 PHE CA . 6502 1 851 . 1 1 84 84 PHE CB C 13 32.717 0.500 . 1 . . . . 84 PHE CB . 6502 1 852 . 1 1 84 84 PHE N N 15 122.477 0.250 . 1 . . . . 84 PHE N . 6502 1 853 . 1 1 85 85 ILE H H 1 7.657 0.030 . 1 . . . . 85 ILE H . 6502 1 854 . 1 1 85 85 ILE HA H 1 3.393 0.030 . 1 . . . . 85 ILE HA . 6502 1 855 . 1 1 85 85 ILE HB H 1 2.129 0.030 . 1 . . . . 85 ILE HB . 6502 1 856 . 1 1 85 85 ILE HG12 H 1 1.596 0.030 . 2 . . . . 85 ILE HG12 . 6502 1 857 . 1 1 85 85 ILE HG13 H 1 1.596 0.030 . 2 . . . . 85 ILE HG13 . 6502 1 858 . 1 1 85 85 ILE HG21 H 1 1.386 0.030 . 1 . . . . 85 ILE HG2 . 6502 1 859 . 1 1 85 85 ILE HG22 H 1 1.386 0.030 . 1 . . . . 85 ILE HG2 . 6502 1 860 . 1 1 85 85 ILE HG23 H 1 1.386 0.030 . 1 . . . . 85 ILE HG2 . 6502 1 861 . 1 1 85 85 ILE HD11 H 1 0.669 0.030 . 1 . . . . 85 ILE HD1 . 6502 1 862 . 1 1 85 85 ILE HD12 H 1 0.669 0.030 . 1 . . . . 85 ILE HD1 . 6502 1 863 . 1 1 85 85 ILE HD13 H 1 0.669 0.030 . 1 . . . . 85 ILE HD1 . 6502 1 864 . 1 1 85 85 ILE C C 13 175.472 0.500 . 1 . . . . 85 ILE C . 6502 1 865 . 1 1 85 85 ILE CA C 13 64.347 0.500 . 1 . . . . 85 ILE CA . 6502 1 866 . 1 1 85 85 ILE CB C 13 39.353 0.500 . 1 . . . . 85 ILE CB . 6502 1 867 . 1 1 85 85 ILE CG1 C 13 29.782 0.500 . 1 . . . . 85 ILE CG1 . 6502 1 868 . 1 1 85 85 ILE CG2 C 13 16.762 0.500 . 1 . . . . 85 ILE CG2 . 6502 1 869 . 1 1 85 85 ILE CD1 C 13 13.840 0.500 . 1 . . . . 85 ILE CD1 . 6502 1 870 . 1 1 85 85 ILE N N 15 114.654 0.250 . 1 . . . . 85 ILE N . 6502 1 871 . 1 1 86 86 HIS H H 1 7.560 0.030 . 1 . . . . 86 HIS H . 6502 1 872 . 1 1 86 86 HIS HA H 1 4.453 0.030 . 1 . . . . 86 HIS HA . 6502 1 873 . 1 1 86 86 HIS HB2 H 1 2.648 0.030 . 2 . . . . 86 HIS HB2 . 6502 1 874 . 1 1 86 86 HIS HB3 H 1 2.648 0.030 . 2 . . . . 86 HIS HB3 . 6502 1 875 . 1 1 86 86 HIS HD2 H 1 8.841 0.030 . 1 . . . . 86 HIS HD2 . 6502 1 876 . 1 1 86 86 HIS HE1 H 1 6.333 0.030 . 1 . . . . 86 HIS HE1 . 6502 1 877 . 1 1 86 86 HIS C C 13 174.803 0.500 . 1 . . . . 86 HIS C . 6502 1 878 . 1 1 86 86 HIS CA C 13 56.600 0.500 . 1 . . . . 86 HIS CA . 6502 1 879 . 1 1 86 86 HIS CB C 13 29.667 0.500 . 1 . . . . 86 HIS CB . 6502 1 880 . 1 1 86 86 HIS N N 15 110.686 0.250 . 1 . . . . 86 HIS N . 6502 1 881 . 1 1 87 87 THR H H 1 7.523 0.030 . 1 . . . . 87 THR H . 6502 1 882 . 1 1 87 87 THR HA H 1 4.104 0.030 . 1 . . . . 87 THR HA . 6502 1 883 . 1 1 87 87 THR HB H 1 3.804 0.030 . 1 . . . . 87 THR HB . 6502 1 884 . 1 1 87 87 THR HG21 H 1 0.703 0.030 . 1 . . . . 87 THR HG2 . 6502 1 885 . 1 1 87 87 THR HG22 H 1 0.703 0.030 . 1 . . . . 87 THR HG2 . 6502 1 886 . 1 1 87 87 THR HG23 H 1 0.703 0.030 . 1 . . . . 87 THR HG2 . 6502 1 887 . 1 1 87 87 THR C C 13 172.659 0.500 . 1 . . . . 87 THR C . 6502 1 888 . 1 1 87 87 THR CA C 13 64.698 0.500 . 1 . . . . 87 THR CA . 6502 1 889 . 1 1 87 87 THR CB C 13 69.757 0.500 . 1 . . . . 87 THR CB . 6502 1 890 . 1 1 87 87 THR CG2 C 13 20.765 0.500 . 1 . . . . 87 THR CG2 . 6502 1 891 . 1 1 87 87 THR N N 15 118.940 0.250 . 1 . . . . 87 THR N . 6502 1 892 . 1 1 88 88 SER H H 1 8.525 0.030 . 1 . . . . 88 SER H . 6502 1 893 . 1 1 88 88 SER HA H 1 4.754 0.030 . 1 . . . . 88 SER HA . 6502 1 894 . 1 1 88 88 SER HB2 H 1 3.931 0.030 . 1 . . . . 88 SER HB2 . 6502 1 895 . 1 1 88 88 SER HB3 H 1 3.836 0.030 . 1 . . . . 88 SER HB3 . 6502 1 896 . 1 1 88 88 SER C C 13 175.252 0.500 . 1 . . . . 88 SER C . 6502 1 897 . 1 1 88 88 SER CA C 13 56.556 0.500 . 1 . . . . 88 SER CA . 6502 1 898 . 1 1 88 88 SER CB C 13 64.295 0.500 . 1 . . . . 88 SER CB . 6502 1 899 . 1 1 88 88 SER N N 15 120.093 0.250 . 1 . . . . 88 SER N . 6502 1 900 . 1 1 89 89 PHE H H 1 9.028 0.030 . 1 . . . . 89 PHE H . 6502 1 901 . 1 1 89 89 PHE HA H 1 4.367 0.030 . 1 . . . . 89 PHE HA . 6502 1 902 . 1 1 89 89 PHE HB2 H 1 3.141 0.030 . 1 . . . . 89 PHE HB2 . 6502 1 903 . 1 1 89 89 PHE HB3 H 1 2.292 0.030 . 1 . . . . 89 PHE HB3 . 6502 1 904 . 1 1 89 89 PHE HD1 H 1 7.318 0.030 . 3 . . . . 89 PHE HD1 . 6502 1 905 . 1 1 89 89 PHE HD2 H 1 7.318 0.030 . 3 . . . . 89 PHE HD2 . 6502 1 906 . 1 1 89 89 PHE HE1 H 1 7.262 0.030 . 3 . . . . 89 PHE HE1 . 6502 1 907 . 1 1 89 89 PHE HE2 H 1 7.262 0.030 . 3 . . . . 89 PHE HE2 . 6502 1 908 . 1 1 89 89 PHE HZ H 1 7.479 0.030 . 1 . . . . 89 PHE HZ . 6502 1 909 . 1 1 89 89 PHE CA C 13 58.937 0.500 . 1 . . . . 89 PHE CA . 6502 1 910 . 1 1 89 89 PHE CB C 13 39.431 0.500 . 1 . . . . 89 PHE CB . 6502 1 911 . 1 1 89 89 PHE N N 15 126.435 0.250 . 1 . . . . 89 PHE N . 6502 1 912 . 1 1 90 90 ALA H H 1 8.303 0.030 . 1 . . . . 90 ALA H . 6502 1 913 . 1 1 90 90 ALA HA H 1 4.029 0.030 . 1 . . . . 90 ALA HA . 6502 1 914 . 1 1 90 90 ALA HB1 H 1 1.369 0.030 . 1 . . . . 90 ALA HB . 6502 1 915 . 1 1 90 90 ALA HB2 H 1 1.369 0.030 . 1 . . . . 90 ALA HB . 6502 1 916 . 1 1 90 90 ALA HB3 H 1 1.369 0.030 . 1 . . . . 90 ALA HB . 6502 1 917 . 1 1 90 90 ALA C C 13 178.992 0.500 . 1 . . . . 90 ALA C . 6502 1 918 . 1 1 90 90 ALA CA C 13 54.238 0.500 . 1 . . . . 90 ALA CA . 6502 1 919 . 1 1 90 90 ALA CB C 13 19.052 0.500 . 1 . . . . 90 ALA CB . 6502 1 920 . 1 1 90 90 ALA N N 15 120.956 0.250 . 1 . . . . 90 ALA N . 6502 1 921 . 1 1 91 91 GLU H H 1 7.817 0.030 . 1 . . . . 91 GLU H . 6502 1 922 . 1 1 91 91 GLU HA H 1 4.135 0.030 . 1 . . . . 91 GLU HA . 6502 1 923 . 1 1 91 91 GLU HB2 H 1 2.228 0.030 . 1 . . . . 91 GLU HB2 . 6502 1 924 . 1 1 91 91 GLU HB3 H 1 2.039 0.030 . 1 . . . . 91 GLU HB3 . 6502 1 925 . 1 1 91 91 GLU C C 13 177.621 0.500 . 1 . . . . 91 GLU C . 6502 1 926 . 1 1 91 91 GLU CA C 13 57.652 0.500 . 1 . . . . 91 GLU CA . 6502 1 927 . 1 1 91 91 GLU CB C 13 30.011 0.500 . 1 . . . . 91 GLU CB . 6502 1 928 . 1 1 91 91 GLU CG C 13 36.529 0.500 . 1 . . . . 91 GLU CD . 6502 1 929 . 1 1 91 91 GLU N N 15 117.311 0.250 . 1 . . . . 91 GLU N . 6502 1 930 . 1 1 92 92 VAL H H 1 7.611 0.030 . 1 . . . . 92 VAL H . 6502 1 931 . 1 1 92 92 VAL HA H 1 3.872 0.030 . 1 . . . . 92 VAL HA . 6502 1 932 . 1 1 92 92 VAL HB H 1 2.038 0.030 . 1 . . . . 92 VAL HB . 6502 1 933 . 1 1 92 92 VAL HG11 H 1 0.793 0.030 . 1 . . . . 92 VAL HG1 . 6502 1 934 . 1 1 92 92 VAL HG12 H 1 0.793 0.030 . 1 . . . . 92 VAL HG1 . 6502 1 935 . 1 1 92 92 VAL HG13 H 1 0.793 0.030 . 1 . . . . 92 VAL HG1 . 6502 1 936 . 1 1 92 92 VAL HG21 H 1 0.853 0.030 . 1 . . . . 92 VAL HG2 . 6502 1 937 . 1 1 92 92 VAL HG22 H 1 0.853 0.030 . 1 . . . . 92 VAL HG2 . 6502 1 938 . 1 1 92 92 VAL HG23 H 1 0.853 0.030 . 1 . . . . 92 VAL HG2 . 6502 1 939 . 1 1 92 92 VAL C C 13 177.321 0.500 . 1 . . . . 92 VAL C . 6502 1 940 . 1 1 92 92 VAL CA C 13 64.150 0.500 . 1 . . . . 92 VAL CA . 6502 1 941 . 1 1 92 92 VAL CB C 13 32.294 0.500 . 1 . . . . 92 VAL CB . 6502 1 942 . 1 1 92 92 VAL CG1 C 13 21.313 0.500 . 1 . . . . 92 VAL CG1 . 6502 1 943 . 1 1 92 92 VAL CG2 C 13 21.313 0.500 . 1 . . . . 92 VAL CG2 . 6502 1 944 . 1 1 92 92 VAL N N 15 118.827 0.250 . 1 . . . . 92 VAL N . 6502 1 945 . 1 1 93 93 VAL H H 1 7.816 0.030 . 1 . . . . 93 VAL H . 6502 1 946 . 1 1 93 93 VAL HA H 1 3.929 0.030 . 1 . . . . 93 VAL HA . 6502 1 947 . 1 1 93 93 VAL HB H 1 1.933 0.030 . 1 . . . . 93 VAL HB . 6502 1 948 . 1 1 93 93 VAL HG11 H 1 0.790 0.030 . 1 . . . . 93 VAL HG1 . 6502 1 949 . 1 1 93 93 VAL HG12 H 1 0.790 0.030 . 1 . . . . 93 VAL HG1 . 6502 1 950 . 1 1 93 93 VAL HG13 H 1 0.790 0.030 . 1 . . . . 93 VAL HG1 . 6502 1 951 . 1 1 93 93 VAL HG21 H 1 0.810 0.030 . 1 . . . . 93 VAL HG2 . 6502 1 952 . 1 1 93 93 VAL HG22 H 1 0.810 0.030 . 1 . . . . 93 VAL HG2 . 6502 1 953 . 1 1 93 93 VAL HG23 H 1 0.810 0.030 . 1 . . . . 93 VAL HG2 . 6502 1 954 . 1 1 93 93 VAL C C 13 177.031 0.500 . 1 . . . . 93 VAL C . 6502 1 955 . 1 1 93 93 VAL CA C 13 63.567 0.500 . 1 . . . . 93 VAL CA . 6502 1 956 . 1 1 93 93 VAL CB C 13 31.992 0.500 . 1 . . . . 93 VAL CB . 6502 1 957 . 1 1 93 93 VAL CG1 C 13 21.110 0.500 . 1 . . . . 93 VAL CG1 . 6502 1 958 . 1 1 93 93 VAL CG2 C 13 21.110 0.500 . 1 . . . . 93 VAL CG2 . 6502 1 959 . 1 1 93 93 VAL N N 15 119.143 0.250 . 1 . . . . 93 VAL N . 6502 1 960 . 1 1 94 94 SER H H 1 7.959 0.030 . 1 . . . . 94 SER H . 6502 1 961 . 1 1 94 94 SER HA H 1 4.322 0.030 . 1 . . . . 94 SER HA . 6502 1 962 . 1 1 94 94 SER HB2 H 1 3.904 0.030 . 1 . . . . 94 SER HB2 . 6502 1 963 . 1 1 94 94 SER HB3 H 1 3.861 0.030 . 1 . . . . 94 SER HB3 . 6502 1 964 . 1 1 94 94 SER C C 13 175.297 0.500 . 1 . . . . 94 SER C . 6502 1 965 . 1 1 94 94 SER CA C 13 59.292 0.500 . 1 . . . . 94 SER CA . 6502 1 966 . 1 1 94 94 SER CB C 13 63.575 0.500 . 1 . . . . 94 SER CB . 6502 1 967 . 1 1 94 94 SER N N 15 116.942 0.250 . 1 . . . . 94 SER N . 6502 1 968 . 1 1 95 95 LYS H H 1 8.026 0.030 . 1 . . . . 95 LYS H . 6502 1 969 . 1 1 95 95 LYS HA H 1 4.243 0.030 . 1 . . . . 95 LYS HA . 6502 1 970 . 1 1 95 95 LYS HB2 H 1 1.825 0.030 . 2 . . . . 95 LYS HB2 . 6502 1 971 . 1 1 95 95 LYS HB3 H 1 1.825 0.030 . 2 . . . . 95 LYS HB3 . 6502 1 972 . 1 1 95 95 LYS HG2 H 1 1.509 0.030 . 1 . . . . 95 LYS HG2 . 6502 1 973 . 1 1 95 95 LYS HG3 H 1 1.434 0.030 . 1 . . . . 95 LYS HG3 . 6502 1 974 . 1 1 95 95 LYS HD2 H 1 1.666 0.030 . 2 . . . . 95 LYS HD2 . 6502 1 975 . 1 1 95 95 LYS HD3 H 1 1.666 0.030 . 2 . . . . 95 LYS HD3 . 6502 1 976 . 1 1 95 95 LYS HE2 H 1 2.971 0.030 . 2 . . . . 95 LYS HE2 . 6502 1 977 . 1 1 95 95 LYS HE3 H 1 2.971 0.030 . 2 . . . . 95 LYS HE3 . 6502 1 978 . 1 1 95 95 LYS C C 13 177.447 0.500 . 1 . . . . 95 LYS C . 6502 1 979 . 1 1 95 95 LYS CA C 13 57.068 0.500 . 1 . . . . 95 LYS CA . 6502 1 980 . 1 1 95 95 LYS CB C 13 32.627 0.500 . 1 . . . . 95 LYS CB . 6502 1 981 . 1 1 95 95 LYS CG C 13 24.870 0.500 . 1 . . . . 95 LYS CG . 6502 1 982 . 1 1 95 95 LYS CD C 13 29.059 0.500 . 1 . . . . 95 LYS CD . 6502 1 983 . 1 1 95 95 LYS CE C 13 42.051 0.500 . 1 . . . . 95 LYS CE . 6502 1 984 . 1 1 95 95 LYS N N 15 122.273 0.250 . 1 . . . . 95 LYS N . 6502 1 985 . 1 1 96 96 GLY H H 1 8.202 0.030 . 1 . . . . 96 GLY H . 6502 1 986 . 1 1 96 96 GLY HA2 H 1 4.308 0.030 . 1 . . . . 96 GLY HA2 . 6502 1 987 . 1 1 96 96 GLY HA3 H 1 3.924 0.030 . 1 . . . . 96 GLY HA3 . 6502 1 988 . 1 1 96 96 GLY C C 13 174.362 0.500 . 1 . . . . 96 GLY C . 6502 1 989 . 1 1 96 96 GLY CA C 13 45.612 0.500 . 1 . . . . 96 GLY CA . 6502 1 990 . 1 1 96 96 GLY N N 15 108.698 0.250 . 1 . . . . 96 GLY N . 6502 1 991 . 1 1 97 97 LYS H H 1 8.011 0.030 . 1 . . . . 97 LYS H . 6502 1 992 . 1 1 97 97 LYS HA H 1 4.299 0.030 . 1 . . . . 97 LYS HA . 6502 1 993 . 1 1 97 97 LYS HB2 H 1 1.865 0.030 . 1 . . . . 97 LYS HB2 . 6502 1 994 . 1 1 97 97 LYS HB3 H 1 1.764 0.030 . 1 . . . . 97 LYS HB3 . 6502 1 995 . 1 1 97 97 LYS HG2 H 1 1.460 0.030 . 1 . . . . 97 LYS HG2 . 6502 1 996 . 1 1 97 97 LYS HG3 H 1 1.397 0.030 . 1 . . . . 97 LYS HG3 . 6502 1 997 . 1 1 97 97 LYS HD2 H 1 1.664 0.030 . 2 . . . . 97 LYS HD2 . 6502 1 998 . 1 1 97 97 LYS HD3 H 1 1.664 0.030 . 2 . . . . 97 LYS HD3 . 6502 1 999 . 1 1 97 97 LYS HE2 H 1 2.979 0.030 . 2 . . . . 97 LYS HE2 . 6502 1 1000 . 1 1 97 97 LYS HE3 H 1 2.979 0.030 . 2 . . . . 97 LYS HE3 . 6502 1 1001 . 1 1 97 97 LYS C C 13 177.185 0.500 . 1 . . . . 97 LYS C . 6502 1 1002 . 1 1 97 97 LYS CA C 13 56.543 0.500 . 1 . . . . 97 LYS CA . 6502 1 1003 . 1 1 97 97 LYS CB C 13 33.081 0.500 . 1 . . . . 97 LYS CB . 6502 1 1004 . 1 1 97 97 LYS CG C 13 24.708 0.500 . 1 . . . . 97 LYS CG . 6502 1 1005 . 1 1 97 97 LYS CD C 13 28.992 0.500 . 1 . . . . 97 LYS CD . 6502 1 1006 . 1 1 97 97 LYS CE C 13 42.261 0.500 . 1 . . . . 97 LYS CE . 6502 1 1007 . 1 1 97 97 LYS N N 15 120.475 0.250 . 1 . . . . 97 LYS N . 6502 1 1008 . 1 1 98 98 GLY H H 1 8.354 0.030 . 1 . . . . 98 GLY H . 6502 1 1009 . 1 1 98 98 GLY HA2 H 1 3.927 0.030 . 2 . . . . 98 GLY HA2 . 6502 1 1010 . 1 1 98 98 GLY HA3 H 1 3.927 0.030 . 2 . . . . 98 GLY HA3 . 6502 1 1011 . 1 1 98 98 GLY C C 13 173.832 0.500 . 1 . . . . 98 GLY C . 6502 1 1012 . 1 1 98 98 GLY CA C 13 45.240 0.500 . 1 . . . . 98 GLY CA . 6502 1 1013 . 1 1 98 98 GLY N N 15 109.636 0.250 . 1 . . . . 98 GLY N . 6502 1 1014 . 1 1 99 99 LYS H H 1 8.016 0.030 . 1 . . . . 99 LYS H . 6502 1 1015 . 1 1 99 99 LYS HA H 1 4.316 0.030 . 1 . . . . 99 LYS HA . 6502 1 1016 . 1 1 99 99 LYS HB2 H 1 1.827 0.030 . 1 . . . . 99 LYS HB2 . 6502 1 1017 . 1 1 99 99 LYS HB3 H 1 1.725 0.030 . 1 . . . . 99 LYS HB3 . 6502 1 1018 . 1 1 99 99 LYS HG2 H 1 1.388 0.030 . 2 . . . . 99 LYS HG2 . 6502 1 1019 . 1 1 99 99 LYS HG3 H 1 1.388 0.030 . 2 . . . . 99 LYS HG3 . 6502 1 1020 . 1 1 99 99 LYS HD2 H 1 1.644 0.030 . 2 . . . . 99 LYS HD2 . 6502 1 1021 . 1 1 99 99 LYS HD3 H 1 1.644 0.030 . 2 . . . . 99 LYS HD3 . 6502 1 1022 . 1 1 99 99 LYS HE2 H 1 2.980 0.030 . 2 . . . . 99 LYS HE2 . 6502 1 1023 . 1 1 99 99 LYS HE3 H 1 2.980 0.030 . 2 . . . . 99 LYS HE3 . 6502 1 1024 . 1 1 99 99 LYS C C 13 175.616 0.500 . 1 . . . . 99 LYS C . 6502 1 1025 . 1 1 99 99 LYS CA C 13 56.404 0.500 . 1 . . . . 99 LYS CA . 6502 1 1026 . 1 1 99 99 LYS CB C 13 33.075 0.500 . 1 . . . . 99 LYS CB . 6502 1 1027 . 1 1 99 99 LYS CG C 13 24.565 0.500 . 1 . . . . 99 LYS CG . 6502 1 1028 . 1 1 99 99 LYS CD C 13 29.031 0.500 . 1 . . . . 99 LYS CD . 6502 1 1029 . 1 1 99 99 LYS CE C 13 42.139 0.500 . 1 . . . . 99 LYS CE . 6502 1 1030 . 1 1 99 99 LYS N N 15 121.242 0.250 . 1 . . . . 99 LYS N . 6502 1 1031 . 1 1 100 100 LYS H H 1 7.912 0.030 . 1 . . . . 100 LYS H . 6502 1 1032 . 1 1 100 100 LYS HA H 1 4.123 0.030 . 1 . . . . 100 LYS HA . 6502 1 1033 . 1 1 100 100 LYS HB2 H 1 1.791 0.030 . 1 . . . . 100 LYS HB2 . 6502 1 1034 . 1 1 100 100 LYS HB3 H 1 1.664 0.030 . 1 . . . . 100 LYS HB3 . 6502 1 1035 . 1 1 100 100 LYS HG2 H 1 1.387 0.030 . 2 . . . . 100 LYS HG2 . 6502 1 1036 . 1 1 100 100 LYS HG3 H 1 1.387 0.030 . 2 . . . . 100 LYS HG3 . 6502 1 1037 . 1 1 100 100 LYS HD2 H 1 2.084 0.030 . 2 . . . . 100 LYS HD2 . 6502 1 1038 . 1 1 100 100 LYS HD3 H 1 2.084 0.030 . 2 . . . . 100 LYS HD3 . 6502 1 1039 . 1 1 100 100 LYS HE2 H 1 2.977 0.030 . 2 . . . . 100 LYS HE2 . 6502 1 1040 . 1 1 100 100 LYS HE3 H 1 2.977 0.030 . 2 . . . . 100 LYS HE3 . 6502 1 1041 . 1 1 100 100 LYS CA C 13 57.759 0.500 . 1 . . . . 100 LYS CA . 6502 1 1042 . 1 1 100 100 LYS CB C 13 33.681 0.500 . 1 . . . . 100 LYS CB . 6502 1 1043 . 1 1 100 100 LYS CG C 13 24.767 0.500 . 1 . . . . 100 LYS CG . 6502 1 1044 . 1 1 100 100 LYS CD C 13 29.411 0.500 . 1 . . . . 100 LYS CD . 6502 1 1045 . 1 1 100 100 LYS CE C 13 42.087 0.500 . 1 . . . . 100 LYS CE . 6502 1 1046 . 1 1 100 100 LYS N N 15 128.152 0.250 . 1 . . . . 100 LYS N . 6502 1 1047 . 2 2 2 2 SER HA H 1 4.220 0.030 . 1 . . . . 102 SER HA . 6502 1 1048 . 2 2 2 2 SER C C 13 174.828 0.500 . 1 . . . . 102 SER C . 6502 1 1049 . 2 2 3 3 HIS H H 1 8.219 0.030 . 1 . . . . 103 HIS H . 6502 1 1050 . 2 2 3 3 HIS HA H 1 4.519 0.030 . 1 . . . . 103 HIS HA . 6502 1 1051 . 2 2 3 3 HIS HB2 H 1 2.851 0.030 . 1 . . . . 103 HIS HB2 . 6502 1 1052 . 2 2 3 3 HIS HB3 H 1 2.751 0.030 . 1 . . . . 103 HIS HB3 . 6502 1 1053 . 2 2 3 3 HIS HD2 H 1 8.841 0.030 . 1 . . . . 103 HIS HD2 . 6502 1 1054 . 2 2 3 3 HIS HE1 H 1 7.000 0.030 . 1 . . . . 103 HIS HE1 . 6502 1 1055 . 2 2 3 3 HIS C C 13 174.978 0.500 . 1 . . . . 103 HIS C . 6502 1 1056 . 2 2 3 3 HIS CA C 13 56.801 0.500 . 1 . . . . 103 HIS CA . 6502 1 1057 . 2 2 3 3 HIS CB C 13 33.092 0.500 . 1 . . . . 103 HIS CB . 6502 1 1058 . 2 2 3 3 HIS N N 15 122.085 0.250 . 1 . . . . 103 HIS N . 6502 1 1059 . 2 2 4 4 MET H H 1 7.717 0.030 . 1 . . . . 104 MET H . 6502 1 1060 . 2 2 4 4 MET HA H 1 4.371 0.030 . 1 . . . . 104 MET HA . 6502 1 1061 . 2 2 4 4 MET HB2 H 1 1.969 0.030 . 2 . . . . 104 MET HB2 . 6502 1 1062 . 2 2 4 4 MET HB3 H 1 1.969 0.030 . 2 . . . . 104 MET HB3 . 6502 1 1063 . 2 2 4 4 MET HG2 H 1 1.962 0.030 . 2 . . . . 104 MET HG2 . 6502 1 1064 . 2 2 4 4 MET HG3 H 1 1.962 0.030 . 2 . . . . 104 MET HG3 . 6502 1 1065 . 2 2 4 4 MET CA C 13 58.747 0.500 . 1 . . . . 104 MET CA . 6502 1 1066 . 2 2 4 4 MET CB C 13 34.974 0.500 . 1 . . . . 104 MET CB . 6502 1 1067 . 2 2 4 4 MET N N 15 121.368 0.250 . 1 . . . . 104 MET N . 6502 1 1068 . 2 2 5 5 PRO HA H 1 4.361 0.030 . 1 . . . . 105 PRO HA . 6502 1 1069 . 2 2 5 5 PRO HB2 H 1 2.330 0.030 . 1 . . . . 105 PRO HB2 . 6502 1 1070 . 2 2 5 5 PRO HB3 H 1 1.951 0.030 . 1 . . . . 105 PRO HB3 . 6502 1 1071 . 2 2 5 5 PRO HG2 H 1 2.069 0.030 . 2 . . . . 105 PRO HG2 . 6502 1 1072 . 2 2 5 5 PRO HG3 H 1 2.069 0.030 . 2 . . . . 105 PRO HG3 . 6502 1 1073 . 2 2 5 5 PRO HD2 H 1 3.802 0.030 . 1 . . . . 105 PRO HD2 . 6502 1 1074 . 2 2 5 5 PRO HD3 H 1 3.650 0.030 . 1 . . . . 105 PRO HD3 . 6502 1 1075 . 2 2 5 5 PRO C C 13 177.021 0.500 . 1 . . . . 105 PRO C . 6502 1 1076 . 2 2 5 5 PRO CA C 13 63.528 0.500 . 1 . . . . 105 PRO CA . 6502 1 1077 . 2 2 5 5 PRO CB C 13 32.051 0.500 . 1 . . . . 105 PRO CB . 6502 1 1078 . 2 2 5 5 PRO CG C 13 27.442 0.500 . 1 . . . . 105 PRO CG . 6502 1 1079 . 2 2 5 5 PRO CD C 13 50.586 0.500 . 1 . . . . 105 PRO CD . 6502 1 1080 . 2 2 6 6 ALA H H 1 8.366 0.030 . 1 . . . . 106 ALA H . 6502 1 1081 . 2 2 6 6 ALA HA H 1 4.179 0.030 . 1 . . . . 106 ALA HA . 6502 1 1082 . 2 2 6 6 ALA HB1 H 1 1.377 0.030 . 1 . . . . 106 ALA HB . 6502 1 1083 . 2 2 6 6 ALA HB2 H 1 1.377 0.030 . 1 . . . . 106 ALA HB . 6502 1 1084 . 2 2 6 6 ALA HB3 H 1 1.377 0.030 . 1 . . . . 106 ALA HB . 6502 1 1085 . 2 2 6 6 ALA C C 13 178.062 0.500 . 1 . . . . 106 ALA C . 6502 1 1086 . 2 2 6 6 ALA CA C 13 53.374 0.500 . 1 . . . . 106 ALA CA . 6502 1 1087 . 2 2 6 6 ALA CB C 13 19.203 0.500 . 1 . . . . 106 ALA CB . 6502 1 1088 . 2 2 6 6 ALA N N 15 123.289 0.250 . 1 . . . . 106 ALA N . 6502 1 1089 . 2 2 7 7 ASP H H 1 8.168 0.030 . 1 . . . . 107 ASP H . 6502 1 1090 . 2 2 7 7 ASP HA H 1 4.486 0.030 . 1 . . . . 107 ASP HA . 6502 1 1091 . 2 2 7 7 ASP HB2 H 1 2.690 0.030 . 1 . . . . 107 ASP HB2 . 6502 1 1092 . 2 2 7 7 ASP HB3 H 1 2.623 0.030 . 1 . . . . 107 ASP HB3 . 6502 1 1093 . 2 2 7 7 ASP C C 13 176.825 0.500 . 1 . . . . 107 ASP C . 6502 1 1094 . 2 2 7 7 ASP CA C 13 54.917 0.500 . 1 . . . . 107 ASP CA . 6502 1 1095 . 2 2 7 7 ASP CB C 13 40.905 0.500 . 1 . . . . 107 ASP CB . 6502 1 1096 . 2 2 7 7 ASP N N 15 118.033 0.250 . 1 . . . . 107 ASP N . 6502 1 1097 . 2 2 8 8 LEU H H 1 7.863 0.030 . 1 . . . . 108 LEU H . 6502 1 1098 . 2 2 8 8 LEU HA H 1 4.236 0.030 . 1 . . . . 108 LEU HA . 6502 1 1099 . 2 2 8 8 LEU HB2 H 1 1.653 0.030 . 1 . . . . 108 LEU HB2 . 6502 1 1100 . 2 2 8 8 LEU HB3 H 1 1.609 0.030 . 1 . . . . 108 LEU HB3 . 6502 1 1101 . 2 2 8 8 LEU HG H 1 1.480 0.030 . 1 . . . . 108 LEU HG . 6502 1 1102 . 2 2 8 8 LEU HD11 H 1 0.853 0.030 . 1 . . . . 108 LEU HD1 . 6502 1 1103 . 2 2 8 8 LEU HD12 H 1 0.853 0.030 . 1 . . . . 108 LEU HD1 . 6502 1 1104 . 2 2 8 8 LEU HD13 H 1 0.853 0.030 . 1 . . . . 108 LEU HD1 . 6502 1 1105 . 2 2 8 8 LEU HD21 H 1 0.911 0.030 . 1 . . . . 108 LEU HD2 . 6502 1 1106 . 2 2 8 8 LEU HD22 H 1 0.911 0.030 . 1 . . . . 108 LEU HD2 . 6502 1 1107 . 2 2 8 8 LEU HD23 H 1 0.911 0.030 . 1 . . . . 108 LEU HD2 . 6502 1 1108 . 2 2 8 8 LEU C C 13 177.913 0.500 . 1 . . . . 108 LEU C . 6502 1 1109 . 2 2 8 8 LEU CA C 13 56.059 0.500 . 1 . . . . 108 LEU CA . 6502 1 1110 . 2 2 8 8 LEU CB C 13 42.252 0.500 . 1 . . . . 108 LEU CB . 6502 1 1111 . 2 2 8 8 LEU CG C 13 27.087 0.500 . 1 . . . . 108 LEU CG . 6502 1 1112 . 2 2 8 8 LEU CD1 C 13 24.845 0.500 . 1 . . . . 108 LEU CD1 . 6502 1 1113 . 2 2 8 8 LEU CD2 C 13 23.609 0.500 . 1 . . . . 108 LEU CD2 . 6502 1 1114 . 2 2 8 8 LEU N N 15 121.660 0.250 . 1 . . . . 108 LEU N . 6502 1 1115 . 2 2 9 9 LEU H H 1 7.970 0.030 . 1 . . . . 109 LEU H . 6502 1 1116 . 2 2 9 9 LEU HA H 1 4.254 0.030 . 1 . . . . 109 LEU HA . 6502 1 1117 . 2 2 9 9 LEU HB2 H 1 1.614 0.030 . 2 . . . . 109 LEU HB2 . 6502 1 1118 . 2 2 9 9 LEU HB3 H 1 1.614 0.030 . 2 . . . . 109 LEU HB3 . 6502 1 1119 . 2 2 9 9 LEU HD11 H 1 0.842 0.030 . 1 . . . . 109 LEU HD1 . 6502 1 1120 . 2 2 9 9 LEU HD12 H 1 0.842 0.030 . 1 . . . . 109 LEU HD1 . 6502 1 1121 . 2 2 9 9 LEU HD13 H 1 0.842 0.030 . 1 . . . . 109 LEU HD1 . 6502 1 1122 . 2 2 9 9 LEU HD21 H 1 0.898 0.030 . 1 . . . . 109 LEU HD2 . 6502 1 1123 . 2 2 9 9 LEU HD22 H 1 0.898 0.030 . 1 . . . . 109 LEU HD2 . 6502 1 1124 . 2 2 9 9 LEU HD23 H 1 0.898 0.030 . 1 . . . . 109 LEU HD2 . 6502 1 1125 . 2 2 9 9 LEU C C 13 177.981 0.500 . 1 . . . . 109 LEU C . 6502 1 1126 . 2 2 9 9 LEU CA C 13 56.028 0.500 . 1 . . . . 109 LEU CA . 6502 1 1127 . 2 2 9 9 LEU CB C 13 42.112 0.500 . 1 . . . . 109 LEU CB . 6502 1 1128 . 2 2 9 9 LEU CG C 13 27.199 0.500 . 1 . . . . 109 LEU CG . 6502 1 1129 . 2 2 9 9 LEU CD1 C 13 23.874 0.500 . 1 . . . . 109 LEU CD1 . 6502 1 1130 . 2 2 9 9 LEU CD2 C 13 24.874 0.500 . 1 . . . . 109 LEU CD2 . 6502 1 1131 . 2 2 9 9 LEU N N 15 121.342 0.250 . 1 . . . . 109 LEU N . 6502 1 1132 . 2 2 10 10 MET H H 1 8.040 0.030 . 1 . . . . 110 MET H . 6502 1 1133 . 2 2 10 10 MET HA H 1 4.334 0.030 . 1 . . . . 110 MET HA . 6502 1 1134 . 2 2 10 10 MET HB2 H 1 2.333 0.030 . 1 . . . . 110 MET HB2 . 6502 1 1135 . 2 2 10 10 MET HB3 H 1 2.074 0.030 . 1 . . . . 110 MET HB3 . 6502 1 1136 . 2 2 10 10 MET HG2 H 1 2.648 0.030 . 1 . . . . 110 MET HG2 . 6502 1 1137 . 2 2 10 10 MET HG3 H 1 2.565 0.030 . 1 . . . . 110 MET HG3 . 6502 1 1138 . 2 2 10 10 MET C C 13 177.224 0.500 . 1 . . . . 110 MET C . 6502 1 1139 . 2 2 10 10 MET CA C 13 56.615 0.500 . 1 . . . . 110 MET CA . 6502 1 1140 . 2 2 10 10 MET CB C 13 32.825 0.500 . 1 . . . . 110 MET CB . 6502 1 1141 . 2 2 10 10 MET N N 15 119.516 0.250 . 1 . . . . 110 MET N . 6502 1 1142 . 2 2 11 11 GLU H H 1 8.203 0.030 . 1 . . . . 111 GLU H . 6502 1 1143 . 2 2 11 11 GLU HA H 1 4.194 0.030 . 1 . . . . 111 GLU HA . 6502 1 1144 . 2 2 11 11 GLU HB2 H 1 2.069 0.030 . 1 . . . . 111 GLU HB2 . 6502 1 1145 . 2 2 11 11 GLU HB3 H 1 2.007 0.030 . 1 . . . . 111 GLU HB3 . 6502 1 1146 . 2 2 11 11 GLU HG2 H 1 2.320 0.030 . 1 . . . . 111 GLU HG2 . 6502 1 1147 . 2 2 11 11 GLU HG3 H 1 2.239 0.030 . 1 . . . . 111 GLU HG3 . 6502 1 1148 . 2 2 11 11 GLU C C 13 177.350 0.500 . 1 . . . . 111 GLU C . 6502 1 1149 . 2 2 11 11 GLU CA C 13 57.881 0.500 . 1 . . . . 111 GLU CA . 6502 1 1150 . 2 2 11 11 GLU CB C 13 30.002 0.500 . 1 . . . . 111 GLU CB . 6502 1 1151 . 2 2 11 11 GLU CG C 13 36.397 0.500 . 1 . . . . 111 GLU CG . 6502 1 1152 . 2 2 11 11 GLU N N 15 120.715 0.250 . 1 . . . . 111 GLU N . 6502 1 1153 . 2 2 12 12 LYS H H 1 8.059 0.030 . 1 . . . . 112 LYS H . 6502 1 1154 . 2 2 12 12 LYS HA H 1 4.196 0.030 . 1 . . . . 112 LYS HA . 6502 1 1155 . 2 2 12 12 LYS HB2 H 1 2.009 0.030 . 1 . . . . 112 LYS HB2 . 6502 1 1156 . 2 2 12 12 LYS HB3 H 1 1.843 0.030 . 1 . . . . 112 LYS HB3 . 6502 1 1157 . 2 2 12 12 LYS HG2 H 1 1.453 0.030 . 2 . . . . 112 LYS HG2 . 6502 1 1158 . 2 2 12 12 LYS HG3 H 1 1.453 0.030 . 2 . . . . 112 LYS HG3 . 6502 1 1159 . 2 2 12 12 LYS HD2 H 1 1.673 0.030 . 2 . . . . 112 LYS HD2 . 6502 1 1160 . 2 2 12 12 LYS HD3 H 1 1.673 0.030 . 2 . . . . 112 LYS HD3 . 6502 1 1161 . 2 2 12 12 LYS HE2 H 1 2.987 0.030 . 2 . . . . 112 LYS HE2 . 6502 1 1162 . 2 2 12 12 LYS HE3 H 1 2.987 0.030 . 2 . . . . 112 LYS HE3 . 6502 1 1163 . 2 2 12 12 LYS CA C 13 57.633 0.500 . 1 . . . . 112 LYS CA . 6502 1 1164 . 2 2 12 12 LYS CB C 13 32.733 0.500 . 1 . . . . 112 LYS CB . 6502 1 1165 . 2 2 12 12 LYS CG C 13 24.926 0.500 . 1 . . . . 112 LYS CG . 6502 1 1166 . 2 2 12 12 LYS CD C 13 29.851 0.500 . 1 . . . . 112 LYS CD . 6502 1 1167 . 2 2 12 12 LYS CE C 13 42.086 0.500 . 1 . . . . 112 LYS CE . 6502 1 1168 . 2 2 12 12 LYS N N 15 120.996 0.250 . 1 . . . . 112 LYS N . 6502 1 1169 . 2 2 13 13 LEU H H 1 8.088 0.030 . 1 . . . . 113 LEU H . 6502 1 1170 . 2 2 13 13 LEU HA H 1 4.260 0.030 . 1 . . . . 113 LEU HA . 6502 1 1171 . 2 2 13 13 LEU HB2 H 1 1.550 0.030 . 1 . . . . 113 LEU HB2 . 6502 1 1172 . 2 2 13 13 LEU HB3 H 1 1.620 0.030 . 1 . . . . 113 LEU HB3 . 6502 1 1173 . 2 2 13 13 LEU HD11 H 1 0.888 0.030 . 1 . . . . 113 LEU HD1 . 6502 1 1174 . 2 2 13 13 LEU HD12 H 1 0.888 0.030 . 1 . . . . 113 LEU HD1 . 6502 1 1175 . 2 2 13 13 LEU HD13 H 1 0.888 0.030 . 1 . . . . 113 LEU HD1 . 6502 1 1176 . 2 2 13 13 LEU HD21 H 1 0.934 0.030 . 1 . . . . 113 LEU HD2 . 6502 1 1177 . 2 2 13 13 LEU HD22 H 1 0.934 0.030 . 1 . . . . 113 LEU HD2 . 6502 1 1178 . 2 2 13 13 LEU HD23 H 1 0.934 0.030 . 1 . . . . 113 LEU HD2 . 6502 1 1179 . 2 2 13 13 LEU C C 13 178.791 0.500 . 1 . . . . 113 LEU C . 6502 1 1180 . 2 2 13 13 LEU CA C 13 56.603 0.500 . 1 . . . . 113 LEU CA . 6502 1 1181 . 2 2 13 13 LEU CB C 13 42.126 0.500 . 1 . . . . 113 LEU CB . 6502 1 1182 . 2 2 13 13 LEU CG C 13 29.818 0.500 . 1 . . . . 113 LEU CG . 6502 1 1183 . 2 2 13 13 LEU CD1 C 13 23.707 0.500 . 1 . . . . 113 LEU CD1 . 6502 1 1184 . 2 2 13 13 LEU CD2 C 13 25.109 0.500 . 1 . . . . 113 LEU CD2 . 6502 1 1185 . 2 2 13 13 LEU N N 15 121.215 0.250 . 1 . . . . 113 LEU N . 6502 1 1186 . 2 2 14 14 GLU H H 1 8.235 0.030 . 1 . . . . 114 GLU H . 6502 1 1187 . 2 2 14 14 GLU HA H 1 4.102 0.030 . 1 . . . . 114 GLU HA . 6502 1 1188 . 2 2 14 14 GLU HB2 H 1 2.092 0.030 . 2 . . . . 114 GLU HB2 . 6502 1 1189 . 2 2 14 14 GLU HB3 H 1 2.092 0.030 . 2 . . . . 114 GLU HB3 . 6502 1 1190 . 2 2 14 14 GLU HG2 H 1 2.282 0.030 . 1 . . . . 114 GLU HG2 . 6502 1 1191 . 2 2 14 14 GLU HG3 H 1 2.223 0.030 . 1 . . . . 114 GLU HG3 . 6502 1 1192 . 2 2 14 14 GLU C C 13 177.287 0.500 . 1 . . . . 114 GLU C . 6502 1 1193 . 2 2 14 14 GLU CA C 13 58.406 0.500 . 1 . . . . 114 GLU CA . 6502 1 1194 . 2 2 14 14 GLU CB C 13 29.704 0.500 . 1 . . . . 114 GLU CB . 6502 1 1195 . 2 2 14 14 GLU CG C 13 36.216 0.500 . 1 . . . . 114 GLU CG . 6502 1 1196 . 2 2 14 14 GLU N N 15 120.475 0.250 . 1 . . . . 114 GLU N . 6502 1 1197 . 2 2 15 15 GLN H H 1 8.202 0.030 . 1 . . . . 115 GLN H . 6502 1 1198 . 2 2 15 15 GLN HA H 1 4.189 0.030 . 1 . . . . 115 GLN HA . 6502 1 1199 . 2 2 15 15 GLN HB2 H 1 2.239 0.030 . 1 . . . . 115 GLN HB2 . 6502 1 1200 . 2 2 15 15 GLN HB3 H 1 1.884 0.030 . 1 . . . . 115 GLN HB3 . 6502 1 1201 . 2 2 15 15 GLN HG3 H 1 2.026 0.030 . 1 . . . . 115 GLN HG3 . 6502 1 1202 . 2 2 15 15 GLN HE21 H 1 7.500 0.030 . 1 . . . . 115 GLN HE21 . 6502 1 1203 . 2 2 15 15 GLN HE22 H 1 6.811 0.030 . 1 . . . . 115 GLN HE22 . 6502 1 1204 . 2 2 15 15 GLN C C 13 177.643 0.500 . 1 . . . . 115 GLN C . 6502 1 1205 . 2 2 15 15 GLN CA C 13 57.708 0.500 . 1 . . . . 115 GLN CA . 6502 1 1206 . 2 2 15 15 GLN CB C 13 29.130 0.500 . 1 . . . . 115 GLN CB . 6502 1 1207 . 2 2 15 15 GLN N N 15 119.459 0.250 . 1 . . . . 115 GLN N . 6502 1 1208 . 2 2 15 15 GLN NE2 N 15 111.949 0.250 . 1 . . . . 115 GLN NE2 . 6502 1 1209 . 2 2 16 16 ASP H H 1 8.498 0.030 . 1 . . . . 116 ASP H . 6502 1 1210 . 2 2 16 16 ASP HA H 1 4.544 0.030 . 1 . . . . 116 ASP HA . 6502 1 1211 . 2 2 16 16 ASP HB2 H 1 2.856 0.030 . 1 . . . . 116 ASP HB2 . 6502 1 1212 . 2 2 16 16 ASP HB3 H 1 2.732 0.030 . 1 . . . . 116 ASP HB3 . 6502 1 1213 . 2 2 16 16 ASP C C 13 177.921 0.500 . 1 . . . . 116 ASP C . 6502 1 1214 . 2 2 16 16 ASP CA C 13 55.992 0.500 . 1 . . . . 116 ASP CA . 6502 1 1215 . 2 2 16 16 ASP CB C 13 41.275 0.500 . 1 . . . . 116 ASP CB . 6502 1 1216 . 2 2 16 16 ASP N N 15 121.221 0.250 . 1 . . . . 116 ASP N . 6502 1 1217 . 2 2 17 17 PHE H H 1 8.222 0.030 . 1 . . . . 117 PHE H . 6502 1 1218 . 2 2 17 17 PHE HA H 1 4.447 0.030 . 1 . . . . 117 PHE HA . 6502 1 1219 . 2 2 17 17 PHE HB2 H 1 3.459 0.030 . 1 . . . . 117 PHE HB2 . 6502 1 1220 . 2 2 17 17 PHE HB3 H 1 3.179 0.030 . 1 . . . . 117 PHE HB3 . 6502 1 1221 . 2 2 17 17 PHE CA C 13 61.715 0.500 . 1 . . . . 117 PHE CA . 6502 1 1222 . 2 2 17 17 PHE CB C 13 39.622 0.500 . 1 . . . . 117 PHE CB . 6502 1 1223 . 2 2 17 17 PHE N N 15 121.688 0.250 . 1 . . . . 117 PHE N . 6502 1 1224 . 2 2 18 18 VAL H H 1 8.344 0.030 . 1 . . . . 118 VAL H . 6502 1 1225 . 2 2 18 18 VAL HA H 1 4.177 0.030 . 1 . . . . 118 VAL HA . 6502 1 1226 . 2 2 18 18 VAL HG11 H 1 0.846 0.030 . 1 . . . . 118 VAL HG1 . 6502 1 1227 . 2 2 18 18 VAL HG12 H 1 0.846 0.030 . 1 . . . . 118 VAL HG1 . 6502 1 1228 . 2 2 18 18 VAL HG13 H 1 0.846 0.030 . 1 . . . . 118 VAL HG1 . 6502 1 1229 . 2 2 18 18 VAL HG21 H 1 1.104 0.030 . 1 . . . . 118 VAL HG2 . 6502 1 1230 . 2 2 18 18 VAL HG22 H 1 1.104 0.030 . 1 . . . . 118 VAL HG2 . 6502 1 1231 . 2 2 18 18 VAL HG23 H 1 1.104 0.030 . 1 . . . . 118 VAL HG2 . 6502 1 1232 . 2 2 18 18 VAL C C 13 179.646 0.500 . 1 . . . . 118 VAL C . 6502 1 1233 . 2 2 18 18 VAL CA C 13 66.850 0.500 . 1 . . . . 118 VAL CA . 6502 1 1234 . 2 2 18 18 VAL CB C 13 31.679 0.500 . 1 . . . . 118 VAL CB . 6502 1 1235 . 2 2 18 18 VAL CG1 C 13 21.136 0.500 . 1 . . . . 118 VAL CG1 . 6502 1 1236 . 2 2 18 18 VAL CG2 C 13 23.494 0.500 . 1 . . . . 118 VAL CG2 . 6502 1 1237 . 2 2 18 18 VAL N N 15 118.142 0.250 . 1 . . . . 118 VAL N . 6502 1 1238 . 2 2 19 19 SER H H 1 8.410 0.030 . 1 . . . . 119 SER H . 6502 1 1239 . 2 2 19 19 SER HA H 1 4.147 0.030 . 1 . . . . 119 SER HA . 6502 1 1240 . 2 2 19 19 SER HB2 H 1 3.957 0.030 . 2 . . . . 119 SER HB2 . 6502 1 1241 . 2 2 19 19 SER HB3 H 1 3.957 0.030 . 2 . . . . 119 SER HB3 . 6502 1 1242 . 2 2 19 19 SER C C 13 176.695 0.500 . 1 . . . . 119 SER C . 6502 1 1243 . 2 2 19 19 SER CA C 13 62.246 0.500 . 1 . . . . 119 SER CA . 6502 1 1244 . 2 2 19 19 SER N N 15 118.168 0.250 . 1 . . . . 119 SER N . 6502 1 1245 . 2 2 20 20 ARG H H 1 8.140 0.030 . 1 . . . . 120 ARG H . 6502 1 1246 . 2 2 20 20 ARG HA H 1 4.137 0.030 . 1 . . . . 120 ARG HA . 6502 1 1247 . 2 2 20 20 ARG HB2 H 1 2.110 0.030 . 2 . . . . 120 ARG HB2 . 6502 1 1248 . 2 2 20 20 ARG HB3 H 1 2.110 0.030 . 2 . . . . 120 ARG HB3 . 6502 1 1249 . 2 2 20 20 ARG C C 13 179.595 0.500 . 1 . . . . 120 ARG C . 6502 1 1250 . 2 2 20 20 ARG CA C 13 58.252 0.500 . 1 . . . . 120 ARG CA . 6502 1 1251 . 2 2 20 20 ARG CB C 13 30.129 0.500 . 1 . . . . 120 ARG CB . 6502 1 1252 . 2 2 20 20 ARG CG C 13 27.519 0.500 . 1 . . . . 120 ARG CG . 6502 1 1253 . 2 2 20 20 ARG CD C 13 42.628 0.500 . 1 . . . . 120 ARG CD . 6502 1 1254 . 2 2 20 20 ARG N N 15 121.992 0.250 . 1 . . . . 120 ARG N . 6502 1 1255 . 2 2 21 21 VAL H H 1 8.555 0.030 . 1 . . . . 121 VAL H . 6502 1 1256 . 2 2 21 21 VAL HA H 1 3.634 0.030 . 1 . . . . 121 VAL HA . 6502 1 1257 . 2 2 21 21 VAL HB H 1 1.839 0.030 . 1 . . . . 121 VAL HB . 6502 1 1258 . 2 2 21 21 VAL HG11 H 1 0.462 0.030 . 1 . . . . 121 VAL HG1 . 6502 1 1259 . 2 2 21 21 VAL HG12 H 1 0.462 0.030 . 1 . . . . 121 VAL HG1 . 6502 1 1260 . 2 2 21 21 VAL HG13 H 1 0.462 0.030 . 1 . . . . 121 VAL HG1 . 6502 1 1261 . 2 2 21 21 VAL HG21 H 1 0.710 0.030 . 1 . . . . 121 VAL HG2 . 6502 1 1262 . 2 2 21 21 VAL HG22 H 1 0.710 0.030 . 1 . . . . 121 VAL HG2 . 6502 1 1263 . 2 2 21 21 VAL HG23 H 1 0.710 0.030 . 1 . . . . 121 VAL HG2 . 6502 1 1264 . 2 2 21 21 VAL C C 13 178.131 0.500 . 1 . . . . 121 VAL C . 6502 1 1265 . 2 2 21 21 VAL CA C 13 67.527 0.500 . 1 . . . . 121 VAL CA . 6502 1 1266 . 2 2 21 21 VAL CB C 13 31.477 0.500 . 1 . . . . 121 VAL CB . 6502 1 1267 . 2 2 21 21 VAL CG1 C 13 23.298 0.500 . 1 . . . . 121 VAL CG1 . 6502 1 1268 . 2 2 21 21 VAL CG2 C 13 21.783 0.500 . 1 . . . . 121 VAL CG2 . 6502 1 1269 . 2 2 21 21 VAL N N 15 120.939 0.250 . 1 . . . . 121 VAL N . 6502 1 1270 . 2 2 22 22 THR H H 1 8.164 0.030 . 1 . . . . 122 THR H . 6502 1 1271 . 2 2 22 22 THR HA H 1 4.379 0.030 . 1 . . . . 122 THR HA . 6502 1 1272 . 2 2 22 22 THR HB H 1 3.795 0.030 . 1 . . . . 122 THR HB . 6502 1 1273 . 2 2 22 22 THR HG21 H 1 1.206 0.030 . 1 . . . . 122 THR HG2 . 6502 1 1274 . 2 2 22 22 THR HG22 H 1 1.206 0.030 . 1 . . . . 122 THR HG2 . 6502 1 1275 . 2 2 22 22 THR HG23 H 1 1.206 0.030 . 1 . . . . 122 THR HG2 . 6502 1 1276 . 2 2 22 22 THR C C 13 176.308 0.500 . 1 . . . . 122 THR C . 6502 1 1277 . 2 2 22 22 THR CA C 13 60.208 0.500 . 1 . . . . 122 THR CA . 6502 1 1278 . 2 2 22 22 THR CB C 13 68.392 0.500 . 1 . . . . 122 THR CB . 6502 1 1279 . 2 2 22 22 THR N N 15 117.344 0.250 . 1 . . . . 122 THR N . 6502 1 1280 . 2 2 23 23 GLU H H 1 8.176 0.030 . 1 . . . . 123 GLU H . 6502 1 1281 . 2 2 23 23 GLU HA H 1 3.782 0.030 . 1 . . . . 123 GLU HA . 6502 1 1282 . 2 2 23 23 GLU HB2 H 1 2.174 0.030 . 1 . . . . 123 GLU HB2 . 6502 1 1283 . 2 2 23 23 GLU HB3 H 1 1.948 0.030 . 1 . . . . 123 GLU HB3 . 6502 1 1284 . 2 2 23 23 GLU C C 13 178.102 0.500 . 1 . . . . 123 GLU C . 6502 1 1285 . 2 2 23 23 GLU CA C 13 59.842 0.500 . 1 . . . . 123 GLU CA . 6502 1 1286 . 2 2 23 23 GLU CB C 13 29.420 0.500 . 1 . . . . 123 GLU CB . 6502 1 1287 . 2 2 23 23 GLU N N 15 122.702 0.250 . 1 . . . . 123 GLU N . 6502 1 1288 . 2 2 24 24 CYS H H 1 7.323 0.030 . 1 . . . . 124 CYS H . 6502 1 1289 . 2 2 24 24 CYS HA H 1 3.598 0.030 . 1 . . . . 124 CYS HA . 6502 1 1290 . 2 2 24 24 CYS HB2 H 1 3.061 0.030 . 2 . . . . 124 CYS HB2 . 6502 1 1291 . 2 2 24 24 CYS HB3 H 1 3.061 0.030 . 2 . . . . 124 CYS HB3 . 6502 1 1292 . 2 2 24 24 CYS C C 13 176.663 0.500 . 1 . . . . 124 CYS C . 6502 1 1293 . 2 2 24 24 CYS CA C 13 63.401 0.500 . 1 . . . . 124 CYS CA . 6502 1 1294 . 2 2 24 24 CYS CB C 13 26.073 0.500 . 1 . . . . 124 CYS CB . 6502 1 1295 . 2 2 24 24 CYS N N 15 114.638 0.250 . 1 . . . . 124 CYS N . 6502 1 1296 . 2 2 25 25 LEU H H 1 8.274 0.030 . 1 . . . . 125 LEU H . 6502 1 1297 . 2 2 25 25 LEU HA H 1 3.928 0.030 . 1 . . . . 125 LEU HA . 6502 1 1298 . 2 2 25 25 LEU HB2 H 1 1.835 0.030 . 2 . . . . 125 LEU HB2 . 6502 1 1299 . 2 2 25 25 LEU HB3 H 1 1.835 0.030 . 2 . . . . 125 LEU HB3 . 6502 1 1300 . 2 2 25 25 LEU HD11 H 1 0.832 0.030 . 1 . . . . 125 LEU HD1 . 6502 1 1301 . 2 2 25 25 LEU HD12 H 1 0.832 0.030 . 1 . . . . 125 LEU HD1 . 6502 1 1302 . 2 2 25 25 LEU HD13 H 1 0.832 0.030 . 1 . . . . 125 LEU HD1 . 6502 1 1303 . 2 2 25 25 LEU HD21 H 1 0.896 0.030 . 1 . . . . 125 LEU HD2 . 6502 1 1304 . 2 2 25 25 LEU HD22 H 1 0.896 0.030 . 1 . . . . 125 LEU HD2 . 6502 1 1305 . 2 2 25 25 LEU HD23 H 1 0.896 0.030 . 1 . . . . 125 LEU HD2 . 6502 1 1306 . 2 2 25 25 LEU C C 13 177.699 0.500 . 1 . . . . 125 LEU C . 6502 1 1307 . 2 2 25 25 LEU CA C 13 58.828 0.500 . 1 . . . . 125 LEU CA . 6502 1 1308 . 2 2 25 25 LEU CB C 13 41.477 0.500 . 1 . . . . 125 LEU CB . 6502 1 1309 . 2 2 25 25 LEU CG C 13 24.452 0.500 . 1 . . . . 125 LEU CG . 6502 1 1310 . 2 2 25 25 LEU CD1 C 13 23.200 0.500 . 1 . . . . 125 LEU CD1 . 6502 1 1311 . 2 2 25 25 LEU CD2 C 13 23.200 0.500 . 1 . . . . 125 LEU CD2 . 6502 1 1312 . 2 2 25 25 LEU N N 15 120.266 0.250 . 1 . . . . 125 LEU N . 6502 1 1313 . 2 2 26 26 THR H H 1 7.974 0.030 . 1 . . . . 126 THR H . 6502 1 1314 . 2 2 26 26 THR HA H 1 4.544 0.030 . 1 . . . . 126 THR HA . 6502 1 1315 . 2 2 26 26 THR HB H 1 4.328 0.030 . 1 . . . . 126 THR HB . 6502 1 1316 . 2 2 26 26 THR HG21 H 1 1.132 0.030 . 1 . . . . 126 THR HG2 . 6502 1 1317 . 2 2 26 26 THR HG22 H 1 1.132 0.030 . 1 . . . . 126 THR HG2 . 6502 1 1318 . 2 2 26 26 THR HG23 H 1 1.132 0.030 . 1 . . . . 126 THR HG2 . 6502 1 1319 . 2 2 26 26 THR C C 13 176.180 0.500 . 1 . . . . 126 THR C . 6502 1 1320 . 2 2 26 26 THR CA C 13 63.187 0.500 . 1 . . . . 126 THR CA . 6502 1 1321 . 2 2 26 26 THR CB C 13 69.237 0.500 . 1 . . . . 126 THR CB . 6502 1 1322 . 2 2 26 26 THR CG2 C 13 19.181 0.500 . 1 . . . . 126 THR CG2 . 6502 1 1323 . 2 2 26 26 THR N N 15 102.819 0.250 . 1 . . . . 126 THR N . 6502 1 1324 . 2 2 27 27 THR H H 1 7.389 0.030 . 1 . . . . 127 THR H . 6502 1 1325 . 2 2 27 27 THR HA H 1 4.164 0.030 . 1 . . . . 127 THR HA . 6502 1 1326 . 2 2 27 27 THR HG21 H 1 1.381 0.030 . 1 . . . . 127 THR HG2 . 6502 1 1327 . 2 2 27 27 THR HG22 H 1 1.381 0.030 . 1 . . . . 127 THR HG2 . 6502 1 1328 . 2 2 27 27 THR HG23 H 1 1.381 0.030 . 1 . . . . 127 THR HG2 . 6502 1 1329 . 2 2 27 27 THR C C 13 175.242 0.500 . 1 . . . . 127 THR C . 6502 1 1330 . 2 2 27 27 THR CA C 13 64.576 0.500 . 1 . . . . 127 THR CA . 6502 1 1331 . 2 2 27 27 THR CB C 13 69.864 0.500 . 1 . . . . 127 THR CB . 6502 1 1332 . 2 2 27 27 THR CG2 C 13 21.347 0.500 . 1 . . . . 127 THR CG2 . 6502 1 1333 . 2 2 27 27 THR N N 15 112.319 0.250 . 1 . . . . 127 THR N . 6502 1 1334 . 2 2 28 28 VAL H H 1 7.516 0.030 . 1 . . . . 128 VAL H . 6502 1 1335 . 2 2 28 28 VAL HA H 1 3.853 0.030 . 1 . . . . 128 VAL HA . 6502 1 1336 . 2 2 28 28 VAL HB H 1 2.353 0.030 . 1 . . . . 128 VAL HB . 6502 1 1337 . 2 2 28 28 VAL CA C 13 55.408 0.500 . 1 . . . . 128 VAL CA . 6502 1 1338 . 2 2 28 28 VAL N N 15 124.356 0.250 . 1 . . . . 128 VAL N . 6502 1 1339 . 2 2 29 29 LYS H H 1 8.289 0.030 . 1 . . . . 129 LYS H . 6502 1 1340 . 2 2 29 29 LYS HA H 1 3.979 0.030 . 1 . . . . 129 LYS HA . 6502 1 1341 . 2 2 29 29 LYS HB2 H 1 1.846 0.030 . 1 . . . . 129 LYS HB2 . 6502 1 1342 . 2 2 29 29 LYS HB3 H 1 1.700 0.030 . 1 . . . . 129 LYS HB3 . 6502 1 1343 . 2 2 29 29 LYS HG2 H 1 1.530 0.030 . 1 . . . . 129 LYS HG2 . 6502 1 1344 . 2 2 29 29 LYS HG3 H 1 1.465 0.030 . 1 . . . . 129 LYS HG3 . 6502 1 1345 . 2 2 29 29 LYS C C 13 177.827 0.500 . 1 . . . . 129 LYS C . 6502 1 1346 . 2 2 29 29 LYS CA C 13 58.435 0.500 . 1 . . . . 129 LYS CA . 6502 1 1347 . 2 2 29 29 LYS CB C 13 32.212 0.500 . 1 . . . . 129 LYS CB . 6502 1 1348 . 2 2 29 29 LYS CG C 13 24.555 0.500 . 1 . . . . 129 LYS CG . 6502 1 1349 . 2 2 29 29 LYS CD C 13 29.015 0.500 . 1 . . . . 129 LYS CD . 6502 1 1350 . 2 2 29 29 LYS N N 15 128.101 0.250 . 1 . . . . 129 LYS N . 6502 1 1351 . 2 2 30 30 SER H H 1 8.605 0.030 . 1 . . . . 130 SER H . 6502 1 1352 . 2 2 30 30 SER HA H 1 4.276 0.030 . 1 . . . . 130 SER HA . 6502 1 1353 . 2 2 30 30 SER HB2 H 1 4.102 0.030 . 2 . . . . 130 SER HB2 . 6502 1 1354 . 2 2 30 30 SER HB3 H 1 4.102 0.030 . 2 . . . . 130 SER HB3 . 6502 1 1355 . 2 2 30 30 SER C C 13 173.696 0.500 . 1 . . . . 130 SER C . 6502 1 1356 . 2 2 30 30 SER CB C 13 61.539 0.500 . 1 . . . . 130 SER CB . 6502 1 1357 . 2 2 30 30 SER N N 15 118.895 0.250 . 1 . . . . 130 SER N . 6502 1 1358 . 2 2 31 31 VAL H H 1 8.215 0.030 . 1 . . . . 131 VAL H . 6502 1 1359 . 2 2 31 31 VAL HA H 1 4.379 0.030 . 1 . . . . 131 VAL HA . 6502 1 1360 . 2 2 31 31 VAL HB H 1 1.977 0.030 . 1 . . . . 131 VAL HB . 6502 1 1361 . 2 2 31 31 VAL HG11 H 1 0.856 0.030 . 1 . . . . 131 VAL HG1 . 6502 1 1362 . 2 2 31 31 VAL HG12 H 1 0.856 0.030 . 1 . . . . 131 VAL HG1 . 6502 1 1363 . 2 2 31 31 VAL HG13 H 1 0.856 0.030 . 1 . . . . 131 VAL HG1 . 6502 1 1364 . 2 2 31 31 VAL HG21 H 1 0.884 0.030 . 1 . . . . 131 VAL HG2 . 6502 1 1365 . 2 2 31 31 VAL HG22 H 1 0.884 0.030 . 1 . . . . 131 VAL HG2 . 6502 1 1366 . 2 2 31 31 VAL HG23 H 1 0.884 0.030 . 1 . . . . 131 VAL HG2 . 6502 1 1367 . 2 2 31 31 VAL CA C 13 58.661 0.500 . 1 . . . . 131 VAL CA . 6502 1 1368 . 2 2 31 31 VAL CB C 13 34.633 0.500 . 1 . . . . 131 VAL CB . 6502 1 1369 . 2 2 31 31 VAL CG1 C 13 19.856 0.500 . 1 . . . . 131 VAL CG1 . 6502 1 1370 . 2 2 31 31 VAL CG2 C 13 21.228 0.500 . 1 . . . . 131 VAL CG2 . 6502 1 1371 . 2 2 31 31 VAL N N 15 126.302 0.250 . 1 . . . . 131 VAL N . 6502 1 1372 . 2 2 34 34 THR H H 1 8.004 0.030 . 1 . . . . 134 THR H . 6502 1 1373 . 2 2 34 34 THR HA H 1 4.269 0.030 . 1 . . . . 134 THR HA . 6502 1 1374 . 2 2 34 34 THR HB H 1 3.982 0.030 . 1 . . . . 134 THR HB . 6502 1 1375 . 2 2 34 34 THR HG21 H 1 1.216 0.030 . 1 . . . . 134 THR HG2 . 6502 1 1376 . 2 2 34 34 THR HG22 H 1 1.216 0.030 . 1 . . . . 134 THR HG2 . 6502 1 1377 . 2 2 34 34 THR HG23 H 1 1.216 0.030 . 1 . . . . 134 THR HG2 . 6502 1 1378 . 2 2 34 34 THR C C 13 176.816 0.500 . 1 . . . . 134 THR C . 6502 1 1379 . 2 2 34 34 THR CA C 13 66.373 0.500 . 1 . . . . 134 THR CA . 6502 1 1380 . 2 2 34 34 THR CB C 13 67.911 0.500 . 1 . . . . 134 THR CB . 6502 1 1381 . 2 2 34 34 THR CG2 C 13 21.921 0.500 . 1 . . . . 134 THR CG2 . 6502 1 1382 . 2 2 34 34 THR N N 15 119.053 0.250 . 1 . . . . 134 THR N . 6502 1 1383 . 2 2 35 35 ASP H H 1 8.553 0.030 . 1 . . . . 135 ASP H . 6502 1 1384 . 2 2 35 35 ASP HA H 1 4.297 0.030 . 1 . . . . 135 ASP HA . 6502 1 1385 . 2 2 35 35 ASP HB2 H 1 3.003 0.030 . 1 . . . . 135 ASP HB2 . 6502 1 1386 . 2 2 35 35 ASP HB3 H 1 2.312 0.030 . 1 . . . . 135 ASP HB3 . 6502 1 1387 . 2 2 35 35 ASP C C 13 178.460 0.500 . 1 . . . . 135 ASP C . 6502 1 1388 . 2 2 35 35 ASP CA C 13 56.787 0.500 . 1 . . . . 135 ASP CA . 6502 1 1389 . 2 2 35 35 ASP CB C 13 41.414 0.500 . 1 . . . . 135 ASP CB . 6502 1 1390 . 2 2 35 35 ASP N N 15 124.060 0.250 . 1 . . . . 135 ASP N . 6502 1 1391 . 2 2 36 36 SER H H 1 8.067 0.030 . 1 . . . . 136 SER H . 6502 1 1392 . 2 2 36 36 SER HA H 1 4.103 0.030 . 1 . . . . 136 SER HA . 6502 1 1393 . 2 2 36 36 SER HB2 H 1 3.930 0.030 . 2 . . . . 136 SER HB2 . 6502 1 1394 . 2 2 36 36 SER HB3 H 1 3.930 0.030 . 2 . . . . 136 SER HB3 . 6502 1 1395 . 2 2 36 36 SER CA C 13 62.614 0.500 . 1 . . . . 136 SER CA . 6502 1 1396 . 2 2 36 36 SER CB C 13 67.254 0.500 . 1 . . . . 136 SER CB . 6502 1 1397 . 2 2 36 36 SER N N 15 113.490 0.250 . 1 . . . . 136 SER N . 6502 1 1398 . 2 2 37 37 GLN H H 1 7.609 0.030 . 1 . . . . 137 GLN H . 6502 1 1399 . 2 2 37 37 GLN HA H 1 3.840 0.030 . 1 . . . . 137 GLN HA . 6502 1 1400 . 2 2 37 37 GLN HB2 H 1 2.154 0.030 . 2 . . . . 137 GLN HB2 . 6502 1 1401 . 2 2 37 37 GLN HB3 H 1 2.154 0.030 . 2 . . . . 137 GLN HB3 . 6502 1 1402 . 2 2 37 37 GLN HE21 H 1 7.302 0.030 . 1 . . . . 137 GLN HE21 . 6502 1 1403 . 2 2 37 37 GLN HE22 H 1 6.561 0.030 . 1 . . . . 137 GLN HE22 . 6502 1 1404 . 2 2 37 37 GLN C C 13 178.731 0.500 . 1 . . . . 137 GLN C . 6502 1 1405 . 2 2 37 37 GLN CA C 13 58.447 0.500 . 1 . . . . 137 GLN CA . 6502 1 1406 . 2 2 37 37 GLN CB C 13 28.153 0.500 . 1 . . . . 137 GLN CB . 6502 1 1407 . 2 2 37 37 GLN N N 15 120.149 0.250 . 1 . . . . 137 GLN N . 6502 1 1408 . 2 2 38 38 THR H H 1 8.426 0.030 . 1 . . . . 138 THR H . 6502 1 1409 . 2 2 38 38 THR HA H 1 4.359 0.030 . 1 . . . . 138 THR HA . 6502 1 1410 . 2 2 38 38 THR HB H 1 3.915 0.030 . 1 . . . . 138 THR HB . 6502 1 1411 . 2 2 38 38 THR HG21 H 1 1.288 0.030 . 1 . . . . 138 THR HG2 . 6502 1 1412 . 2 2 38 38 THR HG22 H 1 1.288 0.030 . 1 . . . . 138 THR HG2 . 6502 1 1413 . 2 2 38 38 THR HG23 H 1 1.288 0.030 . 1 . . . . 138 THR HG2 . 6502 1 1414 . 2 2 38 38 THR C C 13 177.594 0.500 . 1 . . . . 138 THR C . 6502 1 1415 . 2 2 38 38 THR CA C 13 66.222 0.500 . 1 . . . . 138 THR CA . 6502 1 1416 . 2 2 38 38 THR CB C 13 68.164 0.500 . 1 . . . . 138 THR CB . 6502 1 1417 . 2 2 38 38 THR CG2 C 13 22.276 0.500 . 1 . . . . 138 THR CG2 . 6502 1 1418 . 2 2 38 38 THR N N 15 118.527 0.250 . 1 . . . . 138 THR N . 6502 1 1419 . 2 2 39 39 LEU H H 1 8.737 0.030 . 1 . . . . 139 LEU H . 6502 1 1420 . 2 2 39 39 LEU HA H 1 4.204 0.030 . 1 . . . . 139 LEU HA . 6502 1 1421 . 2 2 39 39 LEU HB2 H 1 1.941 0.030 . 2 . . . . 139 LEU HB2 . 6502 1 1422 . 2 2 39 39 LEU HB3 H 1 1.941 0.030 . 2 . . . . 139 LEU HB3 . 6502 1 1423 . 2 2 39 39 LEU HD11 H 1 0.816 0.030 . 1 . . . . 139 LEU HD1 . 6502 1 1424 . 2 2 39 39 LEU HD12 H 1 0.816 0.030 . 1 . . . . 139 LEU HD1 . 6502 1 1425 . 2 2 39 39 LEU HD13 H 1 0.816 0.030 . 1 . . . . 139 LEU HD1 . 6502 1 1426 . 2 2 39 39 LEU HD21 H 1 1.082 0.030 . 1 . . . . 139 LEU HD2 . 6502 1 1427 . 2 2 39 39 LEU HD22 H 1 1.082 0.030 . 1 . . . . 139 LEU HD2 . 6502 1 1428 . 2 2 39 39 LEU HD23 H 1 1.082 0.030 . 1 . . . . 139 LEU HD2 . 6502 1 1429 . 2 2 39 39 LEU C C 13 178.796 0.500 . 1 . . . . 139 LEU C . 6502 1 1430 . 2 2 39 39 LEU CA C 13 58.856 0.500 . 1 . . . . 139 LEU CA . 6502 1 1431 . 2 2 39 39 LEU CB C 13 42.102 0.500 . 1 . . . . 139 LEU CB . 6502 1 1432 . 2 2 39 39 LEU CG C 13 26.816 0.500 . 1 . . . . 139 LEU CG . 6502 1 1433 . 2 2 39 39 LEU CD1 C 13 26.687 0.500 . 1 . . . . 139 LEU CD1 . 6502 1 1434 . 2 2 39 39 LEU CD2 C 13 24.540 0.500 . 1 . . . . 139 LEU CD2 . 6502 1 1435 . 2 2 39 39 LEU N N 15 125.296 0.250 . 1 . . . . 139 LEU N . 6502 1 1436 . 2 2 40 40 LEU H H 1 8.117 0.030 . 1 . . . . 140 LEU H . 6502 1 1437 . 2 2 40 40 LEU HA H 1 4.023 0.030 . 1 . . . . 140 LEU HA . 6502 1 1438 . 2 2 40 40 LEU HB2 H 1 1.342 0.030 . 1 . . . . 140 LEU HB2 . 6502 1 1439 . 2 2 40 40 LEU HB3 H 1 1.490 0.030 . 1 . . . . 140 LEU HB3 . 6502 1 1440 . 2 2 40 40 LEU HG H 1 1.530 0.030 . 1 . . . . 140 LEU HG . 6502 1 1441 . 2 2 40 40 LEU HD11 H 1 0.547 0.030 . 1 . . . . 140 LEU HD1 . 6502 1 1442 . 2 2 40 40 LEU HD12 H 1 0.547 0.030 . 1 . . . . 140 LEU HD1 . 6502 1 1443 . 2 2 40 40 LEU HD13 H 1 0.547 0.030 . 1 . . . . 140 LEU HD1 . 6502 1 1444 . 2 2 40 40 LEU HD21 H 1 0.656 0.030 . 1 . . . . 140 LEU HD2 . 6502 1 1445 . 2 2 40 40 LEU HD22 H 1 0.656 0.030 . 1 . . . . 140 LEU HD2 . 6502 1 1446 . 2 2 40 40 LEU HD23 H 1 0.656 0.030 . 1 . . . . 140 LEU HD2 . 6502 1 1447 . 2 2 40 40 LEU CA C 13 57.715 0.500 . 1 . . . . 140 LEU CA . 6502 1 1448 . 2 2 40 40 LEU CB C 13 41.587 0.500 . 1 . . . . 140 LEU CB . 6502 1 1449 . 2 2 40 40 LEU CG C 13 27.293 0.500 . 1 . . . . 140 LEU CG . 6502 1 1450 . 2 2 40 40 LEU CD1 C 13 23.800 0.500 . 1 . . . . 140 LEU CD1 . 6502 1 1451 . 2 2 40 40 LEU CD2 C 13 23.920 0.500 . 1 . . . . 140 LEU CD2 . 6502 1 1452 . 2 2 40 40 LEU N N 15 119.595 0.250 . 1 . . . . 140 LEU N . 6502 1 1453 . 2 2 41 41 THR H H 1 8.069 0.030 . 1 . . . . 141 THR H . 6502 1 1454 . 2 2 41 41 THR HA H 1 4.237 0.030 . 1 . . . . 141 THR HA . 6502 1 1455 . 2 2 41 41 THR HB H 1 3.978 0.030 . 1 . . . . 141 THR HB . 6502 1 1456 . 2 2 41 41 THR HG21 H 1 1.175 0.030 . 1 . . . . 141 THR HG2 . 6502 1 1457 . 2 2 41 41 THR HG22 H 1 1.175 0.030 . 1 . . . . 141 THR HG2 . 6502 1 1458 . 2 2 41 41 THR HG23 H 1 1.175 0.030 . 1 . . . . 141 THR HG2 . 6502 1 1459 . 2 2 41 41 THR C C 13 175.841 0.500 . 1 . . . . 141 THR C . 6502 1 1460 . 2 2 41 41 THR CA C 13 65.452 0.500 . 1 . . . . 141 THR CA . 6502 1 1461 . 2 2 41 41 THR CB C 13 69.198 0.500 . 1 . . . . 141 THR CB . 6502 1 1462 . 2 2 41 41 THR CG2 C 13 19.088 0.500 . 1 . . . . 141 THR CG2 . 6502 1 1463 . 2 2 41 41 THR N N 15 111.521 0.250 . 1 . . . . 141 THR N . 6502 1 1464 . 2 2 42 42 THR H H 1 7.797 0.030 . 1 . . . . 142 THR H . 6502 1 1465 . 2 2 42 42 THR HA H 1 4.035 0.030 . 1 . . . . 142 THR HA . 6502 1 1466 . 2 2 42 42 THR HB H 1 3.851 0.030 . 1 . . . . 142 THR HB . 6502 1 1467 . 2 2 42 42 THR HG21 H 1 0.481 0.030 . 1 . . . . 142 THR HG2 . 6502 1 1468 . 2 2 42 42 THR HG22 H 1 0.481 0.030 . 1 . . . . 142 THR HG2 . 6502 1 1469 . 2 2 42 42 THR HG23 H 1 0.481 0.030 . 1 . . . . 142 THR HG2 . 6502 1 1470 . 2 2 42 42 THR C C 13 174.746 0.500 . 1 . . . . 142 THR C . 6502 1 1471 . 2 2 42 42 THR N N 15 117.094 0.250 . 1 . . . . 142 THR N . 6502 1 1472 . 2 2 43 43 PHE H H 1 8.130 0.030 . 1 . . . . 143 PHE H . 6502 1 1473 . 2 2 43 43 PHE HA H 1 4.527 0.030 . 1 . . . . 143 PHE HA . 6502 1 1474 . 2 2 43 43 PHE HB2 H 1 3.077 0.030 . 1 . . . . 143 PHE HB2 . 6502 1 1475 . 2 2 43 43 PHE HB3 H 1 2.785 0.030 . 1 . . . . 143 PHE HB3 . 6502 1 1476 . 2 2 43 43 PHE HD1 H 1 6.945 0.030 . 3 . . . . 143 PHE HD1 . 6502 1 1477 . 2 2 43 43 PHE HD2 H 1 6.945 0.030 . 3 . . . . 143 PHE HD2 . 6502 1 1478 . 2 2 43 43 PHE HE1 H 1 6.710 0.030 . 3 . . . . 143 PHE HE1 . 6502 1 1479 . 2 2 43 43 PHE HE2 H 1 6.710 0.030 . 3 . . . . 143 PHE HE2 . 6502 1 1480 . 2 2 43 43 PHE HZ H 1 7.175 0.030 . 1 . . . . 143 PHE HZ . 6502 1 1481 . 2 2 43 43 PHE C C 13 177.089 0.500 . 1 . . . . 143 PHE C . 6502 1 1482 . 2 2 43 43 PHE CA C 13 59.929 0.500 . 1 . . . . 143 PHE CA . 6502 1 1483 . 2 2 43 43 PHE CB C 13 40.537 0.500 . 1 . . . . 143 PHE CB . 6502 1 1484 . 2 2 43 43 PHE N N 15 116.998 0.250 . 1 . . . . 143 PHE N . 6502 1 1485 . 2 2 44 44 GLY H H 1 8.246 0.030 . 1 . . . . 144 GLY H . 6502 1 1486 . 2 2 44 44 GLY HA2 H 1 4.329 0.030 . 1 . . . . 144 GLY HA2 . 6502 1 1487 . 2 2 44 44 GLY HA3 H 1 4.028 0.030 . 1 . . . . 144 GLY HA3 . 6502 1 1488 . 2 2 44 44 GLY C C 13 173.278 0.500 . 1 . . . . 144 GLY C . 6502 1 1489 . 2 2 44 44 GLY CA C 13 47.710 0.500 . 1 . . . . 144 GLY CA . 6502 1 1490 . 2 2 44 44 GLY N N 15 108.820 0.250 . 1 . . . . 144 GLY N . 6502 1 1491 . 2 2 45 45 SER H H 1 7.617 0.030 . 1 . . . . 145 SER H . 6502 1 1492 . 2 2 45 45 SER HA H 1 4.476 0.030 . 1 . . . . 145 SER HA . 6502 1 1493 . 2 2 45 45 SER HB2 H 1 3.806 0.030 . 2 . . . . 145 SER HB2 . 6502 1 1494 . 2 2 45 45 SER HB3 H 1 3.806 0.030 . 2 . . . . 145 SER HB3 . 6502 1 1495 . 2 2 45 45 SER C C 13 174.660 0.500 . 1 . . . . 145 SER C . 6502 1 1496 . 2 2 45 45 SER CA C 13 55.769 0.500 . 1 . . . . 145 SER CA . 6502 1 1497 . 2 2 45 45 SER CB C 13 66.770 0.500 . 1 . . . . 145 SER CB . 6502 1 1498 . 2 2 45 45 SER N N 15 111.413 0.250 . 1 . . . . 145 SER N . 6502 1 1499 . 2 2 46 46 LEU H H 1 10.440 0.030 . 1 . . . . 146 LEU H . 6502 1 1500 . 2 2 46 46 LEU HA H 1 4.059 0.030 . 1 . . . . 146 LEU HA . 6502 1 1501 . 2 2 46 46 LEU HB2 H 1 1.546 0.030 . 1 . . . . 146 LEU HB2 . 6502 1 1502 . 2 2 46 46 LEU HB3 H 1 1.655 0.030 . 1 . . . . 146 LEU HB3 . 6502 1 1503 . 2 2 46 46 LEU HD11 H 1 0.766 0.030 . 1 . . . . 146 LEU HD1 . 6502 1 1504 . 2 2 46 46 LEU HD12 H 1 0.766 0.030 . 1 . . . . 146 LEU HD1 . 6502 1 1505 . 2 2 46 46 LEU HD13 H 1 0.766 0.030 . 1 . . . . 146 LEU HD1 . 6502 1 1506 . 2 2 46 46 LEU HD21 H 1 0.828 0.030 . 1 . . . . 146 LEU HD2 . 6502 1 1507 . 2 2 46 46 LEU HD22 H 1 0.828 0.030 . 1 . . . . 146 LEU HD2 . 6502 1 1508 . 2 2 46 46 LEU HD23 H 1 0.828 0.030 . 1 . . . . 146 LEU HD2 . 6502 1 1509 . 2 2 46 46 LEU C C 13 177.587 0.500 . 1 . . . . 146 LEU C . 6502 1 1510 . 2 2 46 46 LEU CA C 13 57.554 0.500 . 1 . . . . 146 LEU CA . 6502 1 1511 . 2 2 46 46 LEU CB C 13 40.930 0.500 . 1 . . . . 146 LEU CB . 6502 1 1512 . 2 2 46 46 LEU CG C 13 27.877 0.500 . 1 . . . . 146 LEU CG . 6502 1 1513 . 2 2 46 46 LEU CD1 C 13 25.308 0.500 . 1 . . . . 146 LEU CD1 . 6502 1 1514 . 2 2 46 46 LEU CD2 C 13 25.422 0.500 . 1 . . . . 146 LEU CD2 . 6502 1 1515 . 2 2 46 46 LEU N N 15 124.047 0.250 . 1 . . . . 146 LEU N . 6502 1 1516 . 2 2 47 47 GLU H H 1 7.830 0.030 . 1 . . . . 147 GLU H . 6502 1 1517 . 2 2 47 47 GLU HA H 1 3.417 0.030 . 1 . . . . 147 GLU HA . 6502 1 1518 . 2 2 47 47 GLU HB2 H 1 1.965 0.030 . 1 . . . . 147 GLU HB2 . 6502 1 1519 . 2 2 47 47 GLU HB3 H 1 1.778 0.030 . 1 . . . . 147 GLU HB3 . 6502 1 1520 . 2 2 47 47 GLU CA C 13 60.053 0.500 . 1 . . . . 147 GLU CA . 6502 1 1521 . 2 2 47 47 GLU CB C 13 30.061 0.500 . 1 . . . . 147 GLU CB . 6502 1 1522 . 2 2 47 47 GLU CG C 13 35.602 0.500 . 1 . . . . 147 GLU CG . 6502 1 1523 . 2 2 47 47 GLU N N 15 118.132 0.250 . 1 . . . . 147 GLU N . 6502 1 1524 . 2 2 48 48 GLN H H 1 7.756 0.030 . 1 . . . . 148 GLN H . 6502 1 1525 . 2 2 48 48 GLN HA H 1 4.076 0.030 . 1 . . . . 148 GLN HA . 6502 1 1526 . 2 2 48 48 GLN HB2 H 1 2.382 0.030 . 1 . . . . 148 GLN HB2 . 6502 1 1527 . 2 2 48 48 GLN HB3 H 1 2.267 0.030 . 1 . . . . 148 GLN HB3 . 6502 1 1528 . 2 2 48 48 GLN HE21 H 1 7.731 0.030 . 1 . . . . 148 GLN HE21 . 6502 1 1529 . 2 2 48 48 GLN HE22 H 1 6.946 0.030 . 1 . . . . 148 GLN HE22 . 6502 1 1530 . 2 2 48 48 GLN C C 13 178.185 0.500 . 1 . . . . 148 GLN C . 6502 1 1531 . 2 2 48 48 GLN CA C 13 58.185 0.500 . 1 . . . . 148 GLN CA . 6502 1 1532 . 2 2 48 48 GLN CB C 13 29.147 0.500 . 1 . . . . 148 GLN CB . 6502 1 1533 . 2 2 48 48 GLN N N 15 117.415 0.250 . 1 . . . . 148 GLN N . 6502 1 1534 . 2 2 48 48 GLN NE2 N 15 113.698 0.250 . 1 . . . . 148 GLN NE2 . 6502 1 1535 . 2 2 49 49 LEU H H 1 7.740 0.030 . 1 . . . . 149 LEU H . 6502 1 1536 . 2 2 49 49 LEU HA H 1 3.243 0.030 . 1 . . . . 149 LEU HA . 6502 1 1537 . 2 2 49 49 LEU HB2 H 1 1.643 0.030 . 1 . . . . 149 LEU HB2 . 6502 1 1538 . 2 2 49 49 LEU HB3 H 1 1.456 0.030 . 1 . . . . 149 LEU HB3 . 6502 1 1539 . 2 2 49 49 LEU HD11 H 1 0.638 0.030 . 0 . . . . 149 LEU HD1 . 6502 1 1540 . 2 2 49 49 LEU HD12 H 1 0.638 0.030 . 0 . . . . 149 LEU HD1 . 6502 1 1541 . 2 2 49 49 LEU HD13 H 1 0.638 0.030 . 0 . . . . 149 LEU HD1 . 6502 1 1542 . 2 2 49 49 LEU CA C 13 58.139 0.500 . 1 . . . . 149 LEU CA . 6502 1 1543 . 2 2 49 49 LEU CB C 13 42.549 0.500 . 1 . . . . 149 LEU CB . 6502 1 1544 . 2 2 49 49 LEU CD1 C 13 26.514 0.500 . 1 . . . . 149 LEU CD1 . 6502 1 1545 . 2 2 49 49 LEU CD2 C 13 26.514 0.500 . 1 . . . . 149 LEU CD2 . 6502 1 1546 . 2 2 49 49 LEU N N 15 122.536 0.250 . 1 . . . . 149 LEU N . 6502 1 1547 . 2 2 50 50 ILE H H 1 8.247 0.030 . 1 . . . . 150 ILE H . 6502 1 1548 . 2 2 50 50 ILE HA H 1 3.272 0.030 . 1 . . . . 150 ILE HA . 6502 1 1549 . 2 2 50 50 ILE HB H 1 1.707 0.030 . 1 . . . . 150 ILE HB . 6502 1 1550 . 2 2 50 50 ILE HG21 H 1 0.698 0.030 . 1 . . . . 150 ILE HG2 . 6502 1 1551 . 2 2 50 50 ILE HG22 H 1 0.698 0.030 . 1 . . . . 150 ILE HG2 . 6502 1 1552 . 2 2 50 50 ILE HG23 H 1 0.698 0.030 . 1 . . . . 150 ILE HG2 . 6502 1 1553 . 2 2 50 50 ILE HD11 H 1 0.557 0.030 . 1 . . . . 150 ILE HD1 . 6502 1 1554 . 2 2 50 50 ILE HD12 H 1 0.557 0.030 . 1 . . . . 150 ILE HD1 . 6502 1 1555 . 2 2 50 50 ILE HD13 H 1 0.557 0.030 . 1 . . . . 150 ILE HD1 . 6502 1 1556 . 2 2 50 50 ILE C C 13 174.829 0.500 . 1 . . . . 150 ILE C . 6502 1 1557 . 2 2 50 50 ILE CA C 13 64.648 0.500 . 1 . . . . 150 ILE CA . 6502 1 1558 . 2 2 50 50 ILE CB C 13 38.058 0.500 . 1 . . . . 150 ILE CB . 6502 1 1559 . 2 2 50 50 ILE CD1 C 13 14.501 0.500 . 1 . . . . 150 ILE CD1 . 6502 1 1560 . 2 2 50 50 ILE N N 15 117.625 0.250 . 1 . . . . 150 ILE N . 6502 1 1561 . 2 2 51 51 ALA H H 1 7.021 0.030 . 1 . . . . 151 ALA H . 6502 1 1562 . 2 2 51 51 ALA HA H 1 4.197 0.030 . 1 . . . . 151 ALA HA . 6502 1 1563 . 2 2 51 51 ALA HB1 H 1 1.437 0.030 . 1 . . . . 151 ALA HB . 6502 1 1564 . 2 2 51 51 ALA HB2 H 1 1.437 0.030 . 1 . . . . 151 ALA HB . 6502 1 1565 . 2 2 51 51 ALA HB3 H 1 1.437 0.030 . 1 . . . . 151 ALA HB . 6502 1 1566 . 2 2 51 51 ALA C C 13 177.362 0.500 . 1 . . . . 151 ALA C . 6502 1 1567 . 2 2 51 51 ALA CA C 13 52.411 0.500 . 1 . . . . 151 ALA CA . 6502 1 1568 . 2 2 51 51 ALA CB C 13 19.110 0.500 . 1 . . . . 151 ALA CB . 6502 1 1569 . 2 2 51 51 ALA N N 15 118.129 0.250 . 1 . . . . 151 ALA N . 6502 1 1570 . 2 2 52 52 ALA H H 1 7.024 0.030 . 1 . . . . 152 ALA H . 6502 1 1571 . 2 2 52 52 ALA HA H 1 4.309 0.030 . 1 . . . . 152 ALA HA . 6502 1 1572 . 2 2 52 52 ALA HB1 H 1 1.290 0.030 . 1 . . . . 152 ALA HB . 6502 1 1573 . 2 2 52 52 ALA HB2 H 1 1.290 0.030 . 1 . . . . 152 ALA HB . 6502 1 1574 . 2 2 52 52 ALA HB3 H 1 1.290 0.030 . 1 . . . . 152 ALA HB . 6502 1 1575 . 2 2 52 52 ALA C C 13 177.923 0.500 . 1 . . . . 152 ALA C . 6502 1 1576 . 2 2 52 52 ALA CA C 13 52.422 0.500 . 1 . . . . 152 ALA CA . 6502 1 1577 . 2 2 52 52 ALA CB C 13 19.867 0.500 . 1 . . . . 152 ALA CB . 6502 1 1578 . 2 2 52 52 ALA N N 15 122.132 0.250 . 1 . . . . 152 ALA N . 6502 1 1579 . 2 2 53 53 SER H H 1 8.990 0.030 . 1 . . . . 153 SER H . 6502 1 1580 . 2 2 53 53 SER HA H 1 4.514 0.030 . 1 . . . . 153 SER HA . 6502 1 1581 . 2 2 53 53 SER HB2 H 1 4.046 0.030 . 2 . . . . 153 SER HB2 . 6502 1 1582 . 2 2 53 53 SER HB3 H 1 4.046 0.030 . 2 . . . . 153 SER HB3 . 6502 1 1583 . 2 2 53 53 SER CA C 13 57.031 0.500 . 1 . . . . 153 SER CA . 6502 1 1584 . 2 2 53 53 SER CB C 13 65.763 0.500 . 1 . . . . 153 SER CB . 6502 1 1585 . 2 2 53 53 SER N N 15 117.790 0.250 . 1 . . . . 153 SER N . 6502 1 1586 . 2 2 54 54 ARG H H 1 8.312 0.030 . 1 . . . . 154 ARG H . 6502 1 1587 . 2 2 54 54 ARG CA C 13 60.318 0.500 . 1 . . . . 154 ARG CA . 6502 1 1588 . 2 2 54 54 ARG CB C 13 29.886 0.500 . 1 . . . . 154 ARG CB . 6502 1 1589 . 2 2 54 54 ARG N N 15 120.956 0.250 . 1 . . . . 154 ARG N . 6502 1 1590 . 2 2 55 55 GLU H H 1 8.259 0.030 . 1 . . . . 155 GLU H . 6502 1 1591 . 2 2 55 55 GLU HA H 1 3.802 0.030 . 1 . . . . 155 GLU HA . 6502 1 1592 . 2 2 55 55 GLU HB2 H 1 1.899 0.030 . 1 . . . . 155 GLU HB2 . 6502 1 1593 . 2 2 55 55 GLU HB3 H 1 1.854 0.030 . 1 . . . . 155 GLU HB3 . 6502 1 1594 . 2 2 55 55 GLU HG2 H 1 2.362 0.030 . 1 . . . . 155 GLU HG2 . 6502 1 1595 . 2 2 55 55 GLU HG3 H 1 2.098 0.030 . 1 . . . . 155 GLU HG3 . 6502 1 1596 . 2 2 55 55 GLU C C 13 178.348 0.500 . 1 . . . . 155 GLU C . 6502 1 1597 . 2 2 55 55 GLU CA C 13 59.737 0.500 . 1 . . . . 155 GLU CA . 6502 1 1598 . 2 2 55 55 GLU CB C 13 28.686 0.500 . 1 . . . . 155 GLU CB . 6502 1 1599 . 2 2 55 55 GLU CG C 13 37.353 0.500 . 1 . . . . 155 GLU CG . 6502 1 1600 . 2 2 55 55 GLU N N 15 117.625 0.250 . 1 . . . . 155 GLU N . 6502 1 1601 . 2 2 56 56 ASP H H 1 7.840 0.030 . 1 . . . . 156 ASP H . 6502 1 1602 . 2 2 56 56 ASP HA H 1 4.389 0.030 . 1 . . . . 156 ASP HA . 6502 1 1603 . 2 2 56 56 ASP HB2 H 1 3.071 0.030 . 1 . . . . 156 ASP HB2 . 6502 1 1604 . 2 2 56 56 ASP HB3 H 1 2.693 0.030 . 1 . . . . 156 ASP HB3 . 6502 1 1605 . 2 2 56 56 ASP C C 13 180.095 0.500 . 1 . . . . 156 ASP C . 6502 1 1606 . 2 2 56 56 ASP CA C 13 57.181 0.500 . 1 . . . . 156 ASP CA . 6502 1 1607 . 2 2 56 56 ASP CB C 13 40.849 0.500 . 1 . . . . 156 ASP CB . 6502 1 1608 . 2 2 56 56 ASP N N 15 119.944 0.250 . 1 . . . . 156 ASP N . 6502 1 1609 . 2 2 57 57 LEU H H 1 7.957 0.030 . 1 . . . . 157 LEU H . 6502 1 1610 . 2 2 57 57 LEU HA H 1 4.072 0.030 . 1 . . . . 157 LEU HA . 6502 1 1611 . 2 2 57 57 LEU HB2 H 1 1.991 0.030 . 1 . . . . 157 LEU HB2 . 6502 1 1612 . 2 2 57 57 LEU HB3 H 1 1.777 0.030 . 1 . . . . 157 LEU HB3 . 6502 1 1613 . 2 2 57 57 LEU HD11 H 1 0.577 0.030 . 1 . . . . 157 LEU HD1 . 6502 1 1614 . 2 2 57 57 LEU HD12 H 1 0.577 0.030 . 1 . . . . 157 LEU HD1 . 6502 1 1615 . 2 2 57 57 LEU HD13 H 1 0.577 0.030 . 1 . . . . 157 LEU HD1 . 6502 1 1616 . 2 2 57 57 LEU HD21 H 1 0.978 0.030 . 1 . . . . 157 LEU HD2 . 6502 1 1617 . 2 2 57 57 LEU HD22 H 1 0.978 0.030 . 1 . . . . 157 LEU HD2 . 6502 1 1618 . 2 2 57 57 LEU HD23 H 1 0.978 0.030 . 1 . . . . 157 LEU HD2 . 6502 1 1619 . 2 2 57 57 LEU C C 13 178.190 0.500 . 1 . . . . 157 LEU C . 6502 1 1620 . 2 2 57 57 LEU CA C 13 58.159 0.500 . 1 . . . . 157 LEU CA . 6502 1 1621 . 2 2 57 57 LEU CB C 13 42.782 0.500 . 1 . . . . 157 LEU CB . 6502 1 1622 . 2 2 57 57 LEU CD1 C 13 23.590 0.500 . 1 . . . . 157 LEU CD1 . 6502 1 1623 . 2 2 57 57 LEU CD2 C 13 26.359 0.500 . 1 . . . . 157 LEU CD2 . 6502 1 1624 . 2 2 57 57 LEU N N 15 119.282 0.250 . 1 . . . . 157 LEU N . 6502 1 1625 . 2 2 58 58 ALA H H 1 7.695 0.030 . 1 . . . . 158 ALA H . 6502 1 1626 . 2 2 58 58 ALA HA H 1 3.774 0.030 . 1 . . . . 158 ALA HA . 6502 1 1627 . 2 2 58 58 ALA HB1 H 1 1.284 0.030 . 1 . . . . 158 ALA HB . 6502 1 1628 . 2 2 58 58 ALA HB2 H 1 1.284 0.030 . 1 . . . . 158 ALA HB . 6502 1 1629 . 2 2 58 58 ALA HB3 H 1 1.284 0.030 . 1 . . . . 158 ALA HB . 6502 1 1630 . 2 2 58 58 ALA C C 13 178.487 0.500 . 1 . . . . 158 ALA C . 6502 1 1631 . 2 2 58 58 ALA CA C 13 54.040 0.500 . 1 . . . . 158 ALA CA . 6502 1 1632 . 2 2 58 58 ALA CB C 13 18.068 0.500 . 1 . . . . 158 ALA CB . 6502 1 1633 . 2 2 58 58 ALA N N 15 117.826 0.250 . 1 . . . . 158 ALA N . 6502 1 1634 . 2 2 59 59 LEU H H 1 7.305 0.030 . 1 . . . . 159 LEU H . 6502 1 1635 . 2 2 59 59 LEU HA H 1 4.160 0.030 . 1 . . . . 159 LEU HA . 6502 1 1636 . 2 2 59 59 LEU HB2 H 1 1.833 0.030 . 1 . . . . 159 LEU HB2 . 6502 1 1637 . 2 2 59 59 LEU HB3 H 1 1.614 0.030 . 1 . . . . 159 LEU HB3 . 6502 1 1638 . 2 2 59 59 LEU HD11 H 1 0.847 0.030 . 1 . . . . 159 LEU HD1 . 6502 1 1639 . 2 2 59 59 LEU HD12 H 1 0.847 0.030 . 1 . . . . 159 LEU HD1 . 6502 1 1640 . 2 2 59 59 LEU HD13 H 1 0.847 0.030 . 1 . . . . 159 LEU HD1 . 6502 1 1641 . 2 2 59 59 LEU HD21 H 1 0.909 0.030 . 1 . . . . 159 LEU HD2 . 6502 1 1642 . 2 2 59 59 LEU HD22 H 1 0.909 0.030 . 1 . . . . 159 LEU HD2 . 6502 1 1643 . 2 2 59 59 LEU HD23 H 1 0.909 0.030 . 1 . . . . 159 LEU HD2 . 6502 1 1644 . 2 2 59 59 LEU C C 13 177.821 0.500 . 1 . . . . 159 LEU C . 6502 1 1645 . 2 2 59 59 LEU CA C 13 55.004 0.500 . 1 . . . . 159 LEU CA . 6502 1 1646 . 2 2 59 59 LEU CB C 13 42.490 0.500 . 1 . . . . 159 LEU CB . 6502 1 1647 . 2 2 59 59 LEU CG C 13 23.548 0.500 . 1 . . . . 159 LEU CG . 6502 1 1648 . 2 2 59 59 LEU CD1 C 13 26.409 0.500 . 1 . . . . 159 LEU CD1 . 6502 1 1649 . 2 2 59 59 LEU CD2 C 13 24.755 0.500 . 1 . . . . 159 LEU CD2 . 6502 1 1650 . 2 2 59 59 LEU N N 15 117.060 0.250 . 1 . . . . 159 LEU N . 6502 1 1651 . 2 2 60 60 CYS H H 1 7.592 0.030 . 1 . . . . 160 CYS H . 6502 1 1652 . 2 2 60 60 CYS HA H 1 4.471 0.030 . 1 . . . . 160 CYS HA . 6502 1 1653 . 2 2 60 60 CYS HB2 H 1 2.960 0.030 . 2 . . . . 160 CYS HB2 . 6502 1 1654 . 2 2 60 60 CYS HB3 H 1 2.960 0.030 . 2 . . . . 160 CYS HB3 . 6502 1 1655 . 2 2 60 60 CYS CA C 13 58.321 0.500 . 1 . . . . 160 CYS CA . 6502 1 1656 . 2 2 60 60 CYS CB C 13 27.199 0.500 . 1 . . . . 160 CYS CB . 6502 1 1657 . 2 2 60 60 CYS N N 15 122.462 0.250 . 1 . . . . 160 CYS N . 6502 1 1658 . 2 2 61 61 PRO HA H 1 4.188 0.030 . 1 . . . . 161 PRO HA . 6502 1 1659 . 2 2 61 61 PRO HB2 H 1 2.209 0.030 . 1 . . . . 161 PRO HB2 . 6502 1 1660 . 2 2 61 61 PRO HB3 H 1 1.885 0.030 . 1 . . . . 161 PRO HB3 . 6502 1 1661 . 2 2 61 61 PRO HG2 H 1 1.986 0.030 . 2 . . . . 161 PRO HG2 . 6502 1 1662 . 2 2 61 61 PRO HG3 H 1 1.986 0.030 . 2 . . . . 161 PRO HG3 . 6502 1 1663 . 2 2 61 61 PRO HD2 H 1 3.657 0.030 . 2 . . . . 161 PRO HD2 . 6502 1 1664 . 2 2 61 61 PRO HD3 H 1 3.657 0.030 . 2 . . . . 161 PRO HD3 . 6502 1 1665 . 2 2 61 61 PRO C C 13 177.168 0.500 . 1 . . . . 161 PRO C . 6502 1 1666 . 2 2 61 61 PRO CA C 13 64.666 0.500 . 1 . . . . 161 PRO CA . 6502 1 1667 . 2 2 61 61 PRO CB C 13 31.748 0.500 . 1 . . . . 161 PRO CB . 6502 1 1668 . 2 2 61 61 PRO CG C 13 27.504 0.500 . 1 . . . . 161 PRO CG . 6502 1 1669 . 2 2 61 61 PRO CD C 13 50.724 0.500 . 1 . . . . 161 PRO CD . 6502 1 1670 . 2 2 62 62 GLY H H 1 8.551 0.030 . 1 . . . . 162 GLY H . 6502 1 1671 . 2 2 62 62 GLY HA2 H 1 4.186 0.030 . 1 . . . . 162 GLY HA2 . 6502 1 1672 . 2 2 62 62 GLY HA3 H 1 4.221 0.030 . 1 . . . . 162 GLY HA3 . 6502 1 1673 . 2 2 62 62 GLY C C 13 174.177 0.500 . 1 . . . . 162 GLY C . 6502 1 1674 . 2 2 62 62 GLY CA C 13 45.774 0.500 . 1 . . . . 162 GLY CA . 6502 1 1675 . 2 2 62 62 GLY N N 15 110.925 0.250 . 1 . . . . 162 GLY N . 6502 1 1676 . 2 2 63 63 LEU H H 1 7.675 0.030 . 1 . . . . 163 LEU H . 6502 1 1677 . 2 2 63 63 LEU HA H 1 4.360 0.030 . 1 . . . . 163 LEU HA . 6502 1 1678 . 2 2 63 63 LEU HB2 H 1 1.846 0.030 . 1 . . . . 163 LEU HB2 . 6502 1 1679 . 2 2 63 63 LEU HB3 H 1 1.873 0.030 . 1 . . . . 163 LEU HB3 . 6502 1 1680 . 2 2 63 63 LEU HG H 1 1.805 0.030 . 1 . . . . 163 LEU HG . 6502 1 1681 . 2 2 63 63 LEU HD11 H 1 0.840 0.030 . 0 . . . . 163 LEU HD1 . 6502 1 1682 . 2 2 63 63 LEU HD12 H 1 0.840 0.030 . 0 . . . . 163 LEU HD1 . 6502 1 1683 . 2 2 63 63 LEU HD13 H 1 0.840 0.030 . 0 . . . . 163 LEU HD1 . 6502 1 1684 . 2 2 63 63 LEU C C 13 177.616 0.500 . 1 . . . . 163 LEU C . 6502 1 1685 . 2 2 63 63 LEU CA C 13 56.159 0.500 . 1 . . . . 163 LEU CA . 6502 1 1686 . 2 2 63 63 LEU CB C 13 41.641 0.500 . 1 . . . . 163 LEU CB . 6502 1 1687 . 2 2 63 63 LEU CG C 13 27.786 0.500 . 1 . . . . 163 LEU CG . 6502 1 1688 . 2 2 63 63 LEU CD1 C 13 24.464 0.500 . 1 . . . . 163 LEU CD1 . 6502 1 1689 . 2 2 63 63 LEU CD2 C 13 24.464 0.500 . 1 . . . . 163 LEU CD2 . 6502 1 1690 . 2 2 63 63 LEU N N 15 123.768 0.250 . 1 . . . . 163 LEU N . 6502 1 1691 . 2 2 64 64 GLY H H 1 8.073 0.030 . 1 . . . . 164 GLY H . 6502 1 1692 . 2 2 64 64 GLY HA2 H 1 4.335 0.030 . 1 . . . . 164 GLY HA2 . 6502 1 1693 . 2 2 64 64 GLY HA3 H 1 4.026 0.030 . 1 . . . . 164 GLY HA3 . 6502 1 1694 . 2 2 64 64 GLY CA C 13 44.709 0.500 . 1 . . . . 164 GLY CA . 6502 1 1695 . 2 2 64 64 GLY N N 15 106.263 0.250 . 1 . . . . 164 GLY N . 6502 1 1696 . 2 2 65 65 PRO HD2 H 1 3.776 0.030 . 1 . . . . 165 PRO HD2 . 6502 1 1697 . 2 2 65 65 PRO HD3 H 1 3.659 0.030 . 1 . . . . 165 PRO HD3 . 6502 1 1698 . 2 2 67 67 LYS H H 1 8.462 0.030 . 1 . . . . 167 LYS H . 6502 1 1699 . 2 2 67 67 LYS HA H 1 3.746 0.030 . 1 . . . . 167 LYS HA . 6502 1 1700 . 2 2 67 67 LYS HB2 H 1 1.638 0.030 . 1 . . . . 167 LYS HB2 . 6502 1 1701 . 2 2 67 67 LYS HB3 H 1 1.433 0.030 . 1 . . . . 167 LYS HB3 . 6502 1 1702 . 2 2 67 67 LYS HG2 H 1 1.221 0.030 . 2 . . . . 167 LYS HG2 . 6502 1 1703 . 2 2 67 67 LYS HG3 H 1 1.221 0.030 . 2 . . . . 167 LYS HG3 . 6502 1 1704 . 2 2 67 67 LYS HE2 H 1 2.964 0.030 . 2 . . . . 167 LYS HE2 . 6502 1 1705 . 2 2 67 67 LYS HE3 H 1 2.964 0.030 . 2 . . . . 167 LYS HE3 . 6502 1 1706 . 2 2 67 67 LYS C C 13 178.245 0.500 . 1 . . . . 167 LYS C . 6502 1 1707 . 2 2 67 67 LYS CA C 13 60.047 0.500 . 1 . . . . 167 LYS CA . 6502 1 1708 . 2 2 67 67 LYS CB C 13 33.385 0.500 . 1 . . . . 167 LYS CB . 6502 1 1709 . 2 2 67 67 LYS CG C 13 25.113 0.500 . 1 . . . . 167 LYS CG . 6502 1 1710 . 2 2 67 67 LYS CD C 13 29.215 0.500 . 1 . . . . 167 LYS CD . 6502 1 1711 . 2 2 67 67 LYS CE C 13 41.960 0.500 . 1 . . . . 167 LYS CE . 6502 1 1712 . 2 2 67 67 LYS N N 15 120.322 0.250 . 1 . . . . 167 LYS N . 6502 1 1713 . 2 2 68 68 ALA H H 1 7.644 0.030 . 1 . . . . 168 ALA H . 6502 1 1714 . 2 2 68 68 ALA HA H 1 3.776 0.030 . 1 . . . . 168 ALA HA . 6502 1 1715 . 2 2 68 68 ALA HB1 H 1 1.381 0.030 . 1 . . . . 168 ALA HB . 6502 1 1716 . 2 2 68 68 ALA HB2 H 1 1.381 0.030 . 1 . . . . 168 ALA HB . 6502 1 1717 . 2 2 68 68 ALA HB3 H 1 1.381 0.030 . 1 . . . . 168 ALA HB . 6502 1 1718 . 2 2 68 68 ALA C C 13 178.720 0.500 . 1 . . . . 168 ALA C . 6502 1 1719 . 2 2 68 68 ALA CA C 13 55.606 0.500 . 1 . . . . 168 ALA CA . 6502 1 1720 . 2 2 68 68 ALA CB C 13 19.419 0.500 . 1 . . . . 168 ALA CB . 6502 1 1721 . 2 2 68 68 ALA N N 15 117.602 0.250 . 1 . . . . 168 ALA N . 6502 1 1722 . 2 2 69 69 ARG H H 1 7.564 0.030 . 1 . . . . 169 ARG H . 6502 1 1723 . 2 2 69 69 ARG HA H 1 4.004 0.030 . 1 . . . . 169 ARG HA . 6502 1 1724 . 2 2 69 69 ARG HB2 H 1 1.937 0.030 . 2 . . . . 169 ARG HB2 . 6502 1 1725 . 2 2 69 69 ARG HB3 H 1 1.937 0.030 . 2 . . . . 169 ARG HB3 . 6502 1 1726 . 2 2 69 69 ARG C C 13 176.404 0.500 . 1 . . . . 169 ARG C . 6502 1 1727 . 2 2 69 69 ARG CA C 13 59.583 0.500 . 1 . . . . 169 ARG CA . 6502 1 1728 . 2 2 69 69 ARG CB C 13 29.657 0.500 . 1 . . . . 169 ARG CB . 6502 1 1729 . 2 2 69 69 ARG CD C 13 43.303 0.500 . 1 . . . . 169 ARG CD . 6502 1 1730 . 2 2 69 69 ARG N N 15 116.758 0.250 . 1 . . . . 169 ARG N . 6502 1 1731 . 2 2 70 70 ARG H H 1 7.556 0.030 . 1 . . . . 170 ARG H . 6502 1 1732 . 2 2 70 70 ARG HA H 1 4.116 0.030 . 1 . . . . 170 ARG HA . 6502 1 1733 . 2 2 70 70 ARG HB2 H 1 1.831 0.030 . 2 . . . . 170 ARG HB2 . 6502 1 1734 . 2 2 70 70 ARG HB3 H 1 1.831 0.030 . 2 . . . . 170 ARG HB3 . 6502 1 1735 . 2 2 70 70 ARG C C 13 179.226 0.500 . 1 . . . . 170 ARG C . 6502 1 1736 . 2 2 70 70 ARG CA C 13 59.321 0.500 . 1 . . . . 170 ARG CA . 6502 1 1737 . 2 2 70 70 ARG CB C 13 30.286 0.500 . 1 . . . . 170 ARG CB . 6502 1 1738 . 2 2 70 70 ARG CD C 13 43.863 0.500 . 1 . . . . 170 ARG CD . 6502 1 1739 . 2 2 70 70 ARG N N 15 117.109 0.250 . 1 . . . . 170 ARG N . 6502 1 1740 . 2 2 71 71 LEU H H 1 8.206 0.030 . 1 . . . . 171 LEU H . 6502 1 1741 . 2 2 71 71 LEU HA H 1 4.013 0.030 . 1 . . . . 171 LEU HA . 6502 1 1742 . 2 2 71 71 LEU HB2 H 1 1.455 0.030 . 1 . . . . 171 LEU HB2 . 6502 1 1743 . 2 2 71 71 LEU HB3 H 1 1.718 0.030 . 1 . . . . 171 LEU HB3 . 6502 1 1744 . 2 2 71 71 LEU HD11 H 1 0.896 0.030 . 0 . . . . 171 LEU HD1 . 6502 1 1745 . 2 2 71 71 LEU HD12 H 1 0.896 0.030 . 0 . . . . 171 LEU HD1 . 6502 1 1746 . 2 2 71 71 LEU HD13 H 1 0.896 0.030 . 0 . . . . 171 LEU HD1 . 6502 1 1747 . 2 2 71 71 LEU C C 13 176.670 0.500 . 1 . . . . 171 LEU C . 6502 1 1748 . 2 2 71 71 LEU CA C 13 57.960 0.500 . 1 . . . . 171 LEU CA . 6502 1 1749 . 2 2 71 71 LEU CB C 13 42.241 0.500 . 1 . . . . 171 LEU CB . 6502 1 1750 . 2 2 71 71 LEU CG C 13 26.558 0.500 . 1 . . . . 171 LEU CG . 6502 1 1751 . 2 2 71 71 LEU CD1 C 13 24.403 0.500 . 1 . . . . 171 LEU CD1 . 6502 1 1752 . 2 2 71 71 LEU CD2 C 13 24.403 0.500 . 1 . . . . 171 LEU CD2 . 6502 1 1753 . 2 2 71 71 LEU N N 15 119.163 0.250 . 1 . . . . 171 LEU N . 6502 1 1754 . 2 2 72 72 PHE H H 1 8.543 0.030 . 1 . . . . 172 PHE H . 6502 1 1755 . 2 2 72 72 PHE HA H 1 3.753 0.030 . 1 . . . . 172 PHE HA . 6502 1 1756 . 2 2 72 72 PHE HB2 H 1 3.110 0.030 . 1 . . . . 172 PHE HB2 . 6502 1 1757 . 2 2 72 72 PHE HB3 H 1 2.997 0.030 . 1 . . . . 172 PHE HB3 . 6502 1 1758 . 2 2 72 72 PHE HD1 H 1 6.976 0.030 . 3 . . . . 172 PHE HD1 . 6502 1 1759 . 2 2 72 72 PHE HD2 H 1 6.976 0.030 . 3 . . . . 172 PHE HD2 . 6502 1 1760 . 2 2 72 72 PHE HE1 H 1 7.301 0.030 . 3 . . . . 172 PHE HE1 . 6502 1 1761 . 2 2 72 72 PHE HE2 H 1 7.301 0.030 . 3 . . . . 172 PHE HE2 . 6502 1 1762 . 2 2 72 72 PHE HZ H 1 7.424 0.030 . 1 . . . . 172 PHE HZ . 6502 1 1763 . 2 2 72 72 PHE C C 13 179.061 0.500 . 1 . . . . 172 PHE C . 6502 1 1764 . 2 2 72 72 PHE CA C 13 63.092 0.500 . 1 . . . . 172 PHE CA . 6502 1 1765 . 2 2 72 72 PHE CB C 13 39.545 0.500 . 1 . . . . 172 PHE CB . 6502 1 1766 . 2 2 72 72 PHE N N 15 118.814 0.250 . 1 . . . . 172 PHE N . 6502 1 1767 . 2 2 73 73 ASP H H 1 8.635 0.030 . 1 . . . . 173 ASP H . 6502 1 1768 . 2 2 73 73 ASP HA H 1 4.515 0.030 . 1 . . . . 173 ASP HA . 6502 1 1769 . 2 2 73 73 ASP HB2 H 1 2.857 0.030 . 1 . . . . 173 ASP HB2 . 6502 1 1770 . 2 2 73 73 ASP HB3 H 1 2.653 0.030 . 1 . . . . 173 ASP HB3 . 6502 1 1771 . 2 2 73 73 ASP C C 13 178.883 0.500 . 1 . . . . 173 ASP C . 6502 1 1772 . 2 2 73 73 ASP CA C 13 57.743 0.500 . 1 . . . . 173 ASP CA . 6502 1 1773 . 2 2 73 73 ASP CB C 13 39.511 0.500 . 1 . . . . 173 ASP CB . 6502 1 1774 . 2 2 73 73 ASP N N 15 119.357 0.250 . 1 . . . . 173 ASP N . 6502 1 1775 . 2 2 74 74 VAL H H 1 7.758 0.030 . 1 . . . . 174 VAL H . 6502 1 1776 . 2 2 74 74 VAL HA H 1 3.554 0.030 . 1 . . . . 174 VAL HA . 6502 1 1777 . 2 2 74 74 VAL HB H 1 1.986 0.030 . 1 . . . . 174 VAL HB . 6502 1 1778 . 2 2 74 74 VAL HG11 H 1 0.646 0.030 . 1 . . . . 174 VAL HG1 . 6502 1 1779 . 2 2 74 74 VAL HG12 H 1 0.646 0.030 . 1 . . . . 174 VAL HG1 . 6502 1 1780 . 2 2 74 74 VAL HG13 H 1 0.646 0.030 . 1 . . . . 174 VAL HG1 . 6502 1 1781 . 2 2 74 74 VAL HG21 H 1 1.010 0.030 . 1 . . . . 174 VAL HG2 . 6502 1 1782 . 2 2 74 74 VAL HG22 H 1 1.010 0.030 . 1 . . . . 174 VAL HG2 . 6502 1 1783 . 2 2 74 74 VAL HG23 H 1 1.010 0.030 . 1 . . . . 174 VAL HG2 . 6502 1 1784 . 2 2 74 74 VAL C C 13 175.947 0.500 . 1 . . . . 174 VAL C . 6502 1 1785 . 2 2 74 74 VAL CA C 13 66.977 0.500 . 1 . . . . 174 VAL CA . 6502 1 1786 . 2 2 74 74 VAL CB C 13 31.072 0.500 . 1 . . . . 174 VAL CB . 6502 1 1787 . 2 2 74 74 VAL CG1 C 13 21.205 0.500 . 1 . . . . 174 VAL CG1 . 6502 1 1788 . 2 2 74 74 VAL CG2 C 13 24.362 0.500 . 1 . . . . 174 VAL CG2 . 6502 1 1789 . 2 2 74 74 VAL N N 15 121.073 0.250 . 1 . . . . 174 VAL N . 6502 1 1790 . 2 2 75 75 LEU H H 1 7.069 0.030 . 1 . . . . 175 LEU H . 6502 1 1791 . 2 2 75 75 LEU HA H 1 3.512 0.030 . 1 . . . . 175 LEU HA . 6502 1 1792 . 2 2 75 75 LEU HB2 H 1 1.627 0.030 . 1 . . . . 175 LEU HB2 . 6502 1 1793 . 2 2 75 75 LEU HB3 H 1 1.332 0.030 . 1 . . . . 175 LEU HB3 . 6502 1 1794 . 2 2 75 75 LEU HG H 1 1.627 0.030 . 1 . . . . 175 LEU HG . 6502 1 1795 . 2 2 75 75 LEU HD11 H 1 -0.042 0.030 . 1 . . . . 175 LEU HD1 . 6502 1 1796 . 2 2 75 75 LEU HD12 H 1 -0.042 0.030 . 1 . . . . 175 LEU HD1 . 6502 1 1797 . 2 2 75 75 LEU HD13 H 1 -0.042 0.030 . 1 . . . . 175 LEU HD1 . 6502 1 1798 . 2 2 75 75 LEU HD21 H 1 0.424 0.030 . 1 . . . . 175 LEU HD2 . 6502 1 1799 . 2 2 75 75 LEU HD22 H 1 0.424 0.030 . 1 . . . . 175 LEU HD2 . 6502 1 1800 . 2 2 75 75 LEU HD23 H 1 0.424 0.030 . 1 . . . . 175 LEU HD2 . 6502 1 1801 . 2 2 75 75 LEU C C 13 175.159 0.500 . 1 . . . . 175 LEU C . 6502 1 1802 . 2 2 75 75 LEU CA C 13 55.712 0.500 . 1 . . . . 175 LEU CA . 6502 1 1803 . 2 2 75 75 LEU CB C 13 42.527 0.500 . 1 . . . . 175 LEU CB . 6502 1 1804 . 2 2 75 75 LEU CD1 C 13 21.562 0.500 . 1 . . . . 175 LEU CD1 . 6502 1 1805 . 2 2 75 75 LEU CD2 C 13 25.447 0.500 . 1 . . . . 175 LEU CD2 . 6502 1 1806 . 2 2 75 75 LEU N N 15 114.032 0.250 . 1 . . . . 175 LEU N . 6502 1 1807 . 2 2 76 76 HIS H H 1 7.234 0.030 . 1 . . . . 176 HIS H . 6502 1 1808 . 2 2 76 76 HIS HA H 1 4.336 0.030 . 1 . . . . 176 HIS HA . 6502 1 1809 . 2 2 76 76 HIS HB2 H 1 3.068 0.030 . 1 . . . . 176 HIS HB2 . 6502 1 1810 . 2 2 76 76 HIS HB3 H 1 2.383 0.030 . 1 . . . . 176 HIS HB3 . 6502 1 1811 . 2 2 76 76 HIS HD2 H 1 8.821 0.030 . 1 . . . . 176 HIS HD2 . 6502 1 1812 . 2 2 76 76 HIS HE1 H 1 6.739 0.030 . 1 . . . . 176 HIS HE1 . 6502 1 1813 . 2 2 76 76 HIS C C 13 175.168 0.500 . 1 . . . . 176 HIS C . 6502 1 1814 . 2 2 76 76 HIS CA C 13 56.064 0.500 . 1 . . . . 176 HIS CA . 6502 1 1815 . 2 2 76 76 HIS CB C 13 30.068 0.500 . 1 . . . . 176 HIS CB . 6502 1 1816 . 2 2 76 76 HIS N N 15 110.270 0.250 . 1 . . . . 176 HIS N . 6502 1 1817 . 2 2 77 77 GLU H H 1 8.672 0.030 . 1 . . . . 177 GLU H . 6502 1 1818 . 2 2 77 77 GLU HA H 1 4.408 0.030 . 1 . . . . 177 GLU HA . 6502 1 1819 . 2 2 77 77 GLU HB2 H 1 1.848 0.030 . 1 . . . . 177 GLU HB2 . 6502 1 1820 . 2 2 77 77 GLU HB3 H 1 2.100 0.030 . 1 . . . . 177 GLU HB3 . 6502 1 1821 . 2 2 77 77 GLU HG2 H 1 2.363 0.030 . 2 . . . . 177 GLU HG2 . 6502 1 1822 . 2 2 77 77 GLU HG3 H 1 2.363 0.030 . 2 . . . . 177 GLU HG3 . 6502 1 1823 . 2 2 77 77 GLU CA C 13 55.432 0.500 . 1 . . . . 177 GLU CA . 6502 1 1824 . 2 2 77 77 GLU CB C 13 29.547 0.500 . 1 . . . . 177 GLU CB . 6502 1 1825 . 2 2 77 77 GLU CG C 13 37.012 0.500 . 1 . . . . 177 GLU CG . 6502 1 1826 . 2 2 77 77 GLU N N 15 126.314 0.250 . 1 . . . . 177 GLU N . 6502 1 1827 . 2 2 79 79 PHE H H 1 7.819 0.030 . 1 . . . . 179 PHE H . 6502 1 1828 . 2 2 79 79 PHE HA H 1 4.472 0.030 . 1 . . . . 179 PHE HA . 6502 1 1829 . 2 2 79 79 PHE HB2 H 1 3.041 0.030 . 2 . . . . 179 PHE HB2 . 6502 1 1830 . 2 2 79 79 PHE HB3 H 1 3.041 0.030 . 2 . . . . 179 PHE HB3 . 6502 1 1831 . 2 2 79 79 PHE C C 13 177.217 0.500 . 1 . . . . 179 PHE C . 6502 1 1832 . 2 2 79 79 PHE CA C 13 61.531 0.500 . 1 . . . . 179 PHE CA . 6502 1 1833 . 2 2 79 79 PHE CB C 13 40.466 0.500 . 1 . . . . 179 PHE CB . 6502 1 1834 . 2 2 79 79 PHE N N 15 117.482 0.250 . 1 . . . . 179 PHE N . 6502 1 1835 . 2 2 80 80 LEU H H 1 8.090 0.030 . 1 . . . . 180 LEU H . 6502 1 1836 . 2 2 80 80 LEU HA H 1 4.682 0.030 . 1 . . . . 180 LEU HA . 6502 1 1837 . 2 2 80 80 LEU HB2 H 1 1.569 0.030 . 1 . . . . 180 LEU HB2 . 6502 1 1838 . 2 2 80 80 LEU HB3 H 1 1.667 0.030 . 1 . . . . 180 LEU HB3 . 6502 1 1839 . 2 2 80 80 LEU HD11 H 1 0.797 0.030 . 1 . . . . 180 LEU HD1 . 6502 1 1840 . 2 2 80 80 LEU HD12 H 1 0.797 0.030 . 1 . . . . 180 LEU HD1 . 6502 1 1841 . 2 2 80 80 LEU HD13 H 1 0.797 0.030 . 1 . . . . 180 LEU HD1 . 6502 1 1842 . 2 2 80 80 LEU HD21 H 1 0.623 0.030 . 1 . . . . 180 LEU HD2 . 6502 1 1843 . 2 2 80 80 LEU HD22 H 1 0.623 0.030 . 1 . . . . 180 LEU HD2 . 6502 1 1844 . 2 2 80 80 LEU HD23 H 1 0.623 0.030 . 1 . . . . 180 LEU HD2 . 6502 1 1845 . 2 2 80 80 LEU C C 13 176.530 0.500 . 1 . . . . 180 LEU C . 6502 1 1846 . 2 2 80 80 LEU CA C 13 54.034 0.500 . 1 . . . . 180 LEU CA . 6502 1 1847 . 2 2 80 80 LEU CB C 13 42.372 0.500 . 1 . . . . 180 LEU CB . 6502 1 1848 . 2 2 80 80 LEU CG C 13 27.454 0.500 . 1 . . . . 180 LEU CG . 6502 1 1849 . 2 2 80 80 LEU CD1 C 13 25.566 0.500 . 1 . . . . 180 LEU CD1 . 6502 1 1850 . 2 2 80 80 LEU CD2 C 13 23.782 0.500 . 1 . . . . 180 LEU CD2 . 6502 1 1851 . 2 2 80 80 LEU N N 15 116.784 0.250 . 1 . . . . 180 LEU N . 6502 1 1852 . 2 2 81 81 LYS H H 1 8.068 0.030 . 1 . . . . 181 LYS H . 6502 1 1853 . 2 2 81 81 LYS HA H 1 4.149 0.030 . 1 . . . . 181 LYS HA . 6502 1 1854 . 2 2 81 81 LYS HB2 H 1 1.792 0.030 . 1 . . . . 181 LYS HB2 . 6502 1 1855 . 2 2 81 81 LYS HB3 H 1 1.680 0.030 . 1 . . . . 181 LYS HB3 . 6502 1 1856 . 2 2 81 81 LYS HG2 H 1 1.652 0.030 . 1 . . . . 181 LYS HG2 . 6502 1 1857 . 2 2 81 81 LYS HG3 H 1 1.385 0.030 . 1 . . . . 181 LYS HG3 . 6502 1 1858 . 2 2 81 81 LYS HE2 H 1 2.964 0.030 . 2 . . . . 181 LYS HE2 . 6502 1 1859 . 2 2 81 81 LYS HE3 H 1 2.964 0.030 . 2 . . . . 181 LYS HE3 . 6502 1 1860 . 2 2 81 81 LYS C C 13 176.336 0.500 . 1 . . . . 181 LYS C . 6502 1 1861 . 2 2 81 81 LYS CA C 13 54.677 0.500 . 1 . . . . 181 LYS CA . 6502 1 1862 . 2 2 81 81 LYS CB C 13 33.335 0.500 . 1 . . . . 181 LYS CB . 6502 1 1863 . 2 2 81 81 LYS CG C 13 25.113 0.500 . 1 . . . . 181 LYS CG . 6502 1 1864 . 2 2 81 81 LYS CD C 13 29.233 0.500 . 1 . . . . 181 LYS CD . 6502 1 1865 . 2 2 81 81 LYS N N 15 122.245 0.250 . 1 . . . . 181 LYS N . 6502 1 1866 . 2 2 82 82 VAL H H 1 7.995 0.030 . 1 . . . . 182 VAL H . 6502 1 1867 . 2 2 82 82 VAL HA H 1 4.418 0.030 . 1 . . . . 182 VAL HA . 6502 1 1868 . 2 2 82 82 VAL HB H 1 2.098 0.030 . 1 . . . . 182 VAL HB . 6502 1 1869 . 2 2 82 82 VAL HG11 H 1 0.926 0.030 . 1 . . . . 182 VAL HG1 . 6502 1 1870 . 2 2 82 82 VAL HG12 H 1 0.926 0.030 . 1 . . . . 182 VAL HG1 . 6502 1 1871 . 2 2 82 82 VAL HG13 H 1 0.926 0.030 . 1 . . . . 182 VAL HG1 . 6502 1 1872 . 2 2 82 82 VAL HG21 H 1 0.985 0.030 . 1 . . . . 182 VAL HG2 . 6502 1 1873 . 2 2 82 82 VAL HG22 H 1 0.985 0.030 . 1 . . . . 182 VAL HG2 . 6502 1 1874 . 2 2 82 82 VAL HG23 H 1 0.985 0.030 . 1 . . . . 182 VAL HG2 . 6502 1 1875 . 2 2 82 82 VAL CA C 13 59.469 0.500 . 1 . . . . 182 VAL CA . 6502 1 1876 . 2 2 82 82 VAL CB C 13 32.533 0.500 . 1 . . . . 182 VAL CB . 6502 1 1877 . 2 2 82 82 VAL CG1 C 13 20.204 0.500 . 1 . . . . 182 VAL CG1 . 6502 1 1878 . 2 2 82 82 VAL CG2 C 13 21.322 0.500 . 1 . . . . 182 VAL CG2 . 6502 1 1879 . 2 2 82 82 VAL N N 15 122.890 0.250 . 1 . . . . 182 VAL N . 6502 1 stop_ save_