data_6502 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; DNA binding domain in XPF/ERCC-1 complex ; _BMRB_accession_number 6502 _BMRB_flat_file_name bmr6502.str _Entry_type original _Submission_date 2005-02-16 _Accession_date 2005-02-16 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Masuyama Mika . . 2 Ishino Sonoko . . 3 Nishino Tatsuya . . 4 Moriuchi Hiroshi . . 5 Ueno Hiroshi . . 6 Morikawa Kousuke . . 7 Tate Shin-ichi . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 891 "13C chemical shifts" 622 "15N chemical shifts" 172 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2006-02-17 original author . stop_ _Original_release_date 2006-02-17 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Resonance assignments for the DNA binding domain of ERCC-1/XPF heterodimer' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Masuyama Mika . . 2 Ishino Sonoko . . 3 Nishino Tatsuya . . 4 Moriuchi Hiroshi . . 5 Ueno Hiroshi . . 6 Morikawa Kousuke . . 7 Tate Shin-ichi . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 32 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 175 _Page_last 175 _Year 2005 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'XPF/ERCC-1 heterodimer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'XPF subunit' $XPF_subunit 'ERCC-1 subunit' $ERCC-1_subunit stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'all free' loop_ _Magnetic_equivalence_ID _Magnetically_equivalent_system_component 1 'XPF subunit' 2 'ERCC-1 subunit' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_XPF_subunit _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'XPF subunit' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 100 _Mol_residue_sequence ; GSHMPQPDAATALAITADSE TLPESEKYNPGPQDFLLKMP GVNAKNCRSLMHHVKNIAEL AALSQDELTSILGNAANAKQ LYDFIHTSFAEVVSKGKGKK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -4 GLY 2 -3 SER 3 -2 HIS 4 -1 MET 5 810 PRO 6 811 GLN 7 812 PRO 8 813 ASP 9 814 ALA 10 815 ALA 11 816 THR 12 817 ALA 13 818 LEU 14 819 ALA 15 820 ILE 16 821 THR 17 822 ALA 18 823 ASP 19 824 SER 20 825 GLU 21 826 THR 22 827 LEU 23 828 PRO 24 829 GLU 25 830 SER 26 831 GLU 27 832 LYS 28 833 TYR 29 834 ASN 30 835 PRO 31 836 GLY 32 837 PRO 33 838 GLN 34 839 ASP 35 840 PHE 36 841 LEU 37 842 LEU 38 843 LYS 39 844 MET 40 845 PRO 41 846 GLY 42 847 VAL 43 848 ASN 44 849 ALA 45 850 LYS 46 851 ASN 47 852 CYS 48 853 ARG 49 854 SER 50 855 LEU 51 856 MET 52 857 HIS 53 858 HIS 54 859 VAL 55 860 LYS 56 861 ASN 57 862 ILE 58 863 ALA 59 864 GLU 60 865 LEU 61 866 ALA 62 867 ALA 63 868 LEU 64 869 SER 65 870 GLN 66 871 ASP 67 872 GLU 68 873 LEU 69 874 THR 70 875 SER 71 876 ILE 72 877 LEU 73 878 GLY 74 879 ASN 75 880 ALA 76 881 ALA 77 882 ASN 78 883 ALA 79 884 LYS 80 885 GLN 81 886 LEU 82 887 TYR 83 888 ASP 84 889 PHE 85 890 ILE 86 891 HIS 87 892 THR 88 893 SER 89 894 PHE 90 895 ALA 91 896 GLU 92 897 VAL 93 898 VAL 94 899 SER 95 900 LYS 96 901 GLY 97 902 LYS 98 903 GLY 99 904 LYS 100 905 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value 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 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 DBJ BAG37398 "unnamed protein product [Homo sapiens]" 95.18 297 100.00 100.00 6.43e-46 DBJ BAG52472 "unnamed protein product [Homo sapiens]" 95.18 225 100.00 100.00 2.21e-46 GB AAA35810 "excision repair protein [Homo sapiens]" 95.18 297 100.00 100.00 6.09e-46 GB AAA52394 "excision repair protein [Homo sapiens]" 95.18 297 100.00 100.00 6.09e-46 GB AAC16253 "excision repair protein [Homo sapiens]" 95.18 297 100.00 100.00 6.09e-46 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 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 PRF 1403276A "DNA repair gene" 95.18 297 100.00 100.00 6.09e-46 REF NP_001069853 "DNA excision repair protein ERCC-1 [Bos taurus]" 95.18 294 97.47 98.73 4.82e-45 REF NP_001152781 "DNA excision repair protein ERCC-1 [Sus scrofa]" 93.98 294 97.44 97.44 1.55e-43 REF NP_001181860 "DNA excision repair protein ERCC-1 [Pan troglodytes]" 95.18 297 100.00 100.00 6.09e-46 REF NP_001974 "DNA excision repair protein ERCC-1 isoform 2 [Homo sapiens]" 95.18 297 100.00 100.00 6.09e-46 REF NP_973730 "DNA excision repair protein ERCC-1 isoform 1 [Homo sapiens]" 80.72 323 97.01 97.01 3.78e-34 SP P07992 "RecName: Full=DNA excision repair protein ERCC-1 [Homo sapiens]" 95.18 297 100.00 100.00 6.09e-46 SP Q1LZ75 "RecName: Full=DNA excision repair protein ERCC-1 [Bos taurus]" 95.18 294 97.47 98.73 4.82e-45 TPG DAA19632 "TPA: DNA excision repair protein ERCC-1 [Bos taurus]" 95.18 294 97.47 98.73 4.82e-45 stop_ save_ save_ERCC-1_subunit _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'ERCC-1 subunit' _Molecular_mass . _Mol_thiol_state 'all free' _Details . _Residue_count 83 _Mol_residue_sequence ; GSHMPADLLMEKLEQDFVSR VTECLTTVKSVNKTDSQTLL TTFGSLEQLIAASREDLALC PGLGPQKARRLFDVLHEPFL KVP ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -4 GLY 2 -3 SER 3 -2 HIS 4 -1 MET 5 219 PRO 6 220 ALA 7 221 ASP 8 222 LEU 9 223 LEU 10 224 MET 11 225 GLU 12 226 LYS 13 227 LEU 14 228 GLU 15 229 GLN 16 230 ASP 17 231 PHE 18 232 VAL 19 233 SER 20 234 ARG 21 235 VAL 22 236 THR 23 237 GLU 24 238 CYS 25 239 LEU 26 240 THR 27 241 THR 28 242 VAL 29 243 LYS 30 244 SER 31 245 VAL 32 246 ASN 33 247 LYS 34 248 THR 35 249 ASP 36 250 SER 37 251 GLN 38 252 THR 39 253 LEU 40 254 LEU 41 255 THR 42 256 THR 43 257 PHE 44 258 GLY 45 259 SER 46 260 LEU 47 261 GLU 48 262 GLN 49 263 LEU 50 264 ILE 51 265 ALA 52 266 ALA 53 267 SER 54 268 ARG 55 269 GLU 56 270 ASP 57 271 LEU 58 272 ALA 59 273 LEU 60 274 CYS 61 275 PRO 62 276 GLY 63 277 LEU 64 278 GLY 65 279 PRO 66 280 GLN 67 281 LYS 68 282 ALA 69 283 ARG 70 284 ARG 71 285 LEU 72 286 PHE 73 287 ASP 74 288 VAL 75 289 LEU 76 290 HIS 77 291 GLU 78 292 PRO 79 293 PHE 80 294 LEU 81 295 LYS 82 296 VAL 83 297 PRO stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $XPF_subunit Human 9606 Eukaryota Metazoa Homo sapiens $ERCC-1_subunit Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $XPF_subunit 'recombinant technology' . . . . . $ERCC-1_subunit 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $XPF_subunit 1.4 mM 1.3 1.5 '[U-95% 13C; U-90% 15N]' $ERCC-1_subunit 1.4 mM 1.3 1.5 '[U-95% 13C; U-90% 15N]' 'sodium phosphate buffer' 50 mM . . . stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 50 1 mM pH* 6.4 0.1 pH temperature 308 0.2 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 $citation_1 $citation_1 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 $citation_1 $citation_1 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 $citation_1 $citation_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_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name 'XPF subunit' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 3 3 HIS HA H 4.200 0.030 1 2 3 3 HIS HB2 H 3.143 0.030 1 3 3 3 HIS HB3 H 3.077 0.030 1 4 3 3 HIS HD2 H 8.229 0.030 1 5 3 3 HIS HE1 H 7.378 0.030 1 6 3 3 HIS C C 174.625 0.500 1 7 3 3 HIS CA C 55.979 0.500 1 8 3 3 HIS CB C 30.096 0.500 1 9 4 4 MET H H 8.275 0.030 1 10 4 4 MET HA H 4.755 0.030 1 11 4 4 MET HB2 H 1.889 0.030 1 12 4 4 MET HB3 H 2.007 0.030 1 13 4 4 MET HG2 H 2.561 0.030 1 14 4 4 MET HG3 H 2.472 0.030 1 15 4 4 MET CA C 53.209 0.500 1 16 4 4 MET CB C 32.496 0.500 1 17 4 4 MET N N 123.257 0.250 1 18 5 5 PRO HA H 4.389 0.030 1 19 5 5 PRO HB2 H 2.268 0.030 1 20 5 5 PRO HB3 H 1.902 0.030 1 21 5 5 PRO HG2 H 1.995 0.030 1 22 5 5 PRO HG3 H 1.995 0.030 1 23 5 5 PRO HD2 H 3.753 0.030 1 24 5 5 PRO HD3 H 3.664 0.030 1 25 5 5 PRO C C 177.216 0.500 1 26 5 5 PRO CA C 63.202 0.500 1 27 5 5 PRO CB C 32.035 0.500 1 28 5 5 PRO CG C 27.423 0.500 1 29 5 5 PRO CD C 50.517 0.500 1 30 6 6 GLN H H 8.505 0.030 1 31 6 6 GLN CA C 57.343 0.500 1 32 6 6 GLN CB C 30.104 0.500 1 33 6 6 GLN N N 121.221 0.250 1 34 7 7 PRO HA H 4.389 0.030 1 35 7 7 PRO HB2 H 2.268 0.030 1 36 7 7 PRO HB3 H 1.902 0.030 1 37 7 7 PRO HG2 H 1.966 0.030 2 38 7 7 PRO HG3 H 1.966 0.030 2 39 7 7 PRO HD2 H 3.748 0.030 1 40 7 7 PRO HD3 H 3.645 0.030 1 41 7 7 PRO C C 176.642 0.500 1 42 7 7 PRO CA C 63.472 0.500 1 43 7 7 PRO CB C 32.050 0.500 1 44 7 7 PRO CG C 27.234 0.500 1 45 7 7 PRO CD C 50.511 0.500 1 46 8 8 ASP H H 8.300 0.030 1 47 8 8 ASP HA H 4.519 0.030 1 48 8 8 ASP HB2 H 2.658 0.030 1 49 8 8 ASP HB3 H 2.639 0.030 1 50 8 8 ASP C C 176.216 0.500 1 51 8 8 ASP CA C 54.269 0.500 1 52 8 8 ASP CB C 41.212 0.500 1 53 8 8 ASP N N 120.030 0.250 1 54 9 9 ALA H H 8.121 0.030 1 55 9 9 ALA HA H 4.230 0.030 1 56 9 9 ALA HB H 1.380 0.030 1 57 9 9 ALA C C 177.168 0.500 1 58 9 9 ALA CA C 53.039 0.500 1 59 9 9 ALA CB C 19.267 0.500 1 60 9 9 ALA N N 124.383 0.250 1 61 10 10 ALA H H 8.213 0.030 1 62 10 10 ALA HA H 4.273 0.030 1 63 10 10 ALA HB H 1.395 0.030 1 64 10 10 ALA C C 178.416 0.500 1 65 10 10 ALA CA C 53.220 0.500 1 66 10 10 ALA CB C 18.948 0.500 1 67 10 10 ALA N N 122.085 0.250 1 68 11 11 THR H H 7.864 0.030 1 69 11 11 THR HA H 4.218 0.030 1 70 11 11 THR HB H 3.628 0.030 1 71 11 11 THR HG2 H 1.198 0.030 1 72 11 11 THR C C 174.542 0.500 1 73 11 11 THR CA C 62.303 0.500 1 74 11 11 THR CB C 69.605 0.500 1 75 11 11 THR CG2 C 21.032 0.500 1 76 11 11 THR N N 112.663 0.250 1 77 12 12 ALA H H 8.057 0.030 1 78 12 12 ALA HA H 4.276 0.030 1 79 12 12 ALA HB H 1.358 0.030 1 80 12 12 ALA C C 177.591 0.500 1 81 12 12 ALA CA C 52.762 0.500 1 82 12 12 ALA CB C 19.211 0.500 1 83 12 12 ALA N N 125.886 0.250 1 84 13 13 LEU H H 7.970 0.030 1 85 13 13 LEU HA H 4.257 0.030 1 86 13 13 LEU HB2 H 1.617 0.030 1 87 13 13 LEU HB3 H 1.571 0.030 1 88 13 13 LEU HG H 1.423 0.030 1 89 13 13 LEU HD1 H 0.849 0.030 1 90 13 13 LEU HD2 H 0.901 0.030 1 91 13 13 LEU C C 177.022 0.500 1 92 13 13 LEU CA C 55.143 0.500 1 93 13 13 LEU CB C 42.510 0.500 1 94 13 13 LEU CG C 26.976 0.500 1 95 13 13 LEU CD1 C 23.479 0.500 1 96 13 13 LEU CD2 C 24.818 0.500 1 97 13 13 LEU N N 120.858 0.250 1 98 14 14 ALA H H 8.048 0.030 1 99 14 14 ALA HA H 4.313 0.030 1 100 14 14 ALA HB H 1.347 0.030 1 101 14 14 ALA C C 177.490 0.500 1 102 14 14 ALA CA C 52.390 0.500 1 103 14 14 ALA CB C 19.261 0.500 1 104 14 14 ALA N N 124.661 0.250 1 105 15 15 ILE H H 7.971 0.030 1 106 15 15 ILE HA H 4.192 0.030 1 107 15 15 ILE HB H 1.855 0.030 1 108 15 15 ILE HG12 H 1.176 0.030 1 109 15 15 ILE HG13 H 1.462 0.030 1 110 15 15 ILE HG2 H 0.884 0.030 1 111 15 15 ILE HD1 H 0.840 0.030 1 112 15 15 ILE C C 176.505 0.500 1 113 15 15 ILE CA C 61.148 0.500 1 114 15 15 ILE CB C 38.782 0.500 1 115 15 15 ILE CG1 C 27.181 0.500 1 116 15 15 ILE CG2 C 17.566 0.500 1 117 15 15 ILE CD1 C 12.633 0.500 1 118 15 15 ILE N N 119.929 0.250 1 119 16 16 THR H H 8.082 0.030 1 120 16 16 THR HA H 4.323 0.030 1 121 16 16 THR HB H 4.209 0.030 1 122 16 16 THR HG2 H 1.180 0.030 1 123 16 16 THR C C 174.262 0.500 1 124 16 16 THR CA C 61.721 0.500 1 125 16 16 THR CB C 69.862 0.500 1 126 16 16 THR CG2 C 21.637 0.500 1 127 16 16 THR N N 117.992 0.250 1 128 17 17 ALA H H 8.263 0.030 1 129 17 17 ALA HA H 4.309 0.030 1 130 17 17 ALA HB H 1.361 0.030 1 131 17 17 ALA C C 177.407 0.500 1 132 17 17 ALA CA C 52.646 0.500 1 133 17 17 ALA CB C 19.442 0.500 1 134 17 17 ALA N N 126.450 0.250 1 135 18 18 ASP H H 8.237 0.030 1 136 18 18 ASP HA H 4.568 0.030 1 137 18 18 ASP HB2 H 2.678 0.030 1 138 18 18 ASP HB3 H 2.612 0.030 1 139 18 18 ASP C C 176.449 0.500 1 140 18 18 ASP CA C 54.556 0.500 1 141 18 18 ASP CB C 41.245 0.500 1 142 18 18 ASP N N 119.631 0.250 1 143 19 19 SER H H 8.120 0.030 1 144 19 19 SER HA H 4.366 0.030 1 145 19 19 SER HB2 H 3.880 0.030 1 146 19 19 SER HB3 H 3.829 0.030 1 147 19 19 SER C C 174.648 0.500 1 148 19 19 SER CA C 58.793 0.500 1 149 19 19 SER CB C 63.856 0.500 1 150 19 19 SER N N 115.641 0.250 1 151 20 20 GLU H H 8.327 0.030 1 152 20 20 GLU HA H 4.319 0.030 1 153 20 20 GLU HB2 H 2.054 0.030 1 154 20 20 GLU HB3 H 1.939 0.030 1 155 20 20 GLU HG2 H 2.268 0.030 1 156 20 20 GLU HG3 H 2.201 0.030 1 157 20 20 GLU C C 176.489 0.500 1 158 20 20 GLU CA C 56.728 0.500 1 159 20 20 GLU CB C 30.378 0.500 1 160 20 20 GLU CG C 36.289 0.500 1 161 20 20 GLU N N 122.288 0.250 1 162 21 21 THR H H 8.033 0.030 1 163 21 21 THR HA H 4.287 0.030 1 164 21 21 THR HB H 4.128 0.030 1 165 21 21 THR HG2 H 1.177 0.030 1 166 21 21 THR C C 174.207 0.500 1 167 21 21 THR CA C 61.533 0.500 1 168 21 21 THR CB C 69.776 0.500 1 169 21 21 THR CG2 C 22.052 0.500 1 170 21 21 THR N N 115.376 0.250 1 171 22 22 LEU H H 8.191 0.030 1 172 22 22 LEU HA H 4.589 0.030 1 173 22 22 LEU HB2 H 1.567 0.030 1 174 22 22 LEU HB3 H 1.494 0.030 1 175 22 22 LEU HG H 1.632 0.030 1 176 22 22 LEU HD1 H 0.867 0.030 1 177 22 22 LEU HD2 H 0.872 0.030 1 178 22 22 LEU CA C 53.091 0.500 1 179 22 22 LEU CB C 41.893 0.500 1 180 22 22 LEU CG C 23.618 0.500 1 181 22 22 LEU CD1 C 25.322 0.500 1 182 22 22 LEU CD2 C 26.982 0.500 1 183 22 22 LEU N N 126.176 0.250 1 184 23 23 PRO HA H 4.417 0.030 1 185 23 23 PRO HB2 H 2.292 0.030 1 186 23 23 PRO HB3 H 1.898 0.030 1 187 23 23 PRO HG2 H 2.003 0.030 2 188 23 23 PRO HG3 H 2.003 0.030 2 189 23 23 PRO HD2 H 3.744 0.030 1 190 23 23 PRO HD3 H 3.644 0.030 1 191 23 23 PRO C C 177.289 0.500 1 192 23 23 PRO CA C 63.223 0.500 1 193 23 23 PRO CB C 32.092 0.500 1 194 23 23 PRO CG C 27.472 0.500 1 195 23 23 PRO CD C 50.480 0.500 1 196 24 24 GLU H H 8.636 0.030 1 197 24 24 GLU HA H 4.142 0.030 1 198 24 24 GLU HB2 H 2.308 0.030 1 199 24 24 GLU HB3 H 2.041 0.030 1 200 24 24 GLU HG2 H 2.229 0.030 2 201 24 24 GLU HG3 H 2.229 0.030 2 202 24 24 GLU C C 176.999 0.500 1 203 24 24 GLU CA C 57.614 0.500 1 204 24 24 GLU CB C 29.624 0.500 1 205 24 24 GLU CG C 36.452 0.500 1 206 24 24 GLU N N 120.850 0.250 1 207 25 25 SER H H 8.128 0.030 1 208 25 25 SER HA H 4.344 0.030 1 209 25 25 SER HB2 H 3.953 0.030 1 210 25 25 SER HB3 H 3.888 0.030 1 211 25 25 SER C C 175.091 0.500 1 212 25 25 SER CA C 59.627 0.500 1 213 25 25 SER CB C 63.483 0.500 1 214 25 25 SER N N 114.375 0.250 1 215 26 26 GLU H H 8.271 0.030 1 216 26 26 GLU HA H 4.279 0.030 1 217 26 26 GLU HB2 H 2.044 0.030 1 218 26 26 GLU HB3 H 1.874 0.030 1 219 26 26 GLU HG2 H 2.264 0.030 1 220 26 26 GLU HG3 H 2.175 0.030 1 221 26 26 GLU C C 177.322 0.500 1 222 26 26 GLU CA C 56.883 0.500 1 223 26 26 GLU CB C 29.931 0.500 1 224 26 26 GLU CG C 36.232 0.500 1 225 26 26 GLU N N 121.452 0.250 1 226 27 27 LYS H H 7.807 0.030 1 227 27 27 LYS HA H 4.154 0.030 1 228 27 27 LYS HB2 H 1.438 0.030 1 229 27 27 LYS HB3 H 1.438 0.030 1 230 27 27 LYS HE2 H 2.976 0.030 1 231 27 27 LYS HE3 H 2.976 0.030 1 232 27 27 LYS C C 175.562 0.500 1 233 27 27 LYS CA C 56.473 0.500 1 234 27 27 LYS CB C 33.824 0.500 1 235 27 27 LYS CG C 24.544 0.500 1 236 27 27 LYS CD C 29.062 0.500 1 237 27 27 LYS CE C 41.910 0.500 1 238 27 27 LYS N N 119.663 0.250 1 239 28 28 TYR H H 7.732 0.030 1 240 28 28 TYR HA H 5.267 0.030 1 241 28 28 TYR HB2 H 3.054 0.030 1 242 28 28 TYR HB3 H 2.601 0.030 1 243 28 28 TYR HD1 H 7.082 0.030 1 244 28 28 TYR HD2 H 7.082 0.030 1 245 28 28 TYR HE1 H 6.613 0.030 3 246 28 28 TYR HE2 H 6.613 0.030 3 247 28 28 TYR C C 176.057 0.500 1 248 28 28 TYR CA C 56.569 0.500 1 249 28 28 TYR CB C 40.264 0.500 1 250 28 28 TYR N N 118.571 0.250 1 251 29 29 ASN H H 8.892 0.030 1 252 29 29 ASN HA H 4.981 0.030 1 253 29 29 ASN HB2 H 2.770 0.030 1 254 29 29 ASN HB3 H 2.898 0.030 1 255 29 29 ASN HD21 H 8.159 0.030 1 256 29 29 ASN HD22 H 7.145 0.030 1 257 29 29 ASN CA C 50.900 0.500 1 258 29 29 ASN CB C 38.616 0.500 1 259 29 29 ASN N N 123.766 0.250 1 260 29 29 ASN ND2 N 114.110 0.250 1 261 30 30 PRO HA H 4.329 0.030 1 262 30 30 PRO HB2 H 2.370 0.030 1 263 30 30 PRO HB3 H 2.058 0.030 1 264 30 30 PRO HG2 H 2.135 0.030 2 265 30 30 PRO HG3 H 2.135 0.030 2 266 30 30 PRO HD2 H 3.665 0.030 1 267 30 30 PRO HD3 H 3.551 0.030 1 268 30 30 PRO C C 177.800 0.500 1 269 30 30 PRO CA C 65.416 0.500 1 270 30 30 PRO CB C 32.207 0.500 1 271 30 30 PRO CG C 27.448 0.500 1 272 30 30 PRO CD C 56.986 0.500 1 273 31 31 GLY H H 8.683 0.030 1 274 31 31 GLY HA2 H 4.061 0.030 1 275 31 31 GLY HA3 H 3.931 0.030 1 276 31 31 GLY CA C 48.270 0.500 1 277 31 31 GLY N N 105.330 0.250 1 278 32 32 PRO HA H 4.208 0.030 1 279 32 32 PRO HB2 H 2.161 0.030 1 280 32 32 PRO HB3 H 1.937 0.030 1 281 32 32 PRO HG2 H 2.197 0.030 2 282 32 32 PRO HG3 H 2.197 0.030 2 283 32 32 PRO HD2 H 3.549 0.030 2 284 32 32 PRO HD3 H 3.549 0.030 2 285 32 32 PRO CA C 65.417 0.500 1 286 32 32 PRO CB C 33.707 0.500 1 287 33 33 GLN H H 7.315 0.030 1 288 33 33 GLN HA H 3.898 0.030 1 289 33 33 GLN HB2 H 2.197 0.030 1 290 33 33 GLN HB3 H 2.102 0.030 1 291 33 33 GLN HE21 H 6.818 0.030 1 292 33 33 GLN HE22 H 6.535 0.030 1 293 33 33 GLN C C 176.485 0.500 1 294 33 33 GLN CA C 60.005 0.500 1 295 33 33 GLN CB C 29.875 0.500 1 296 33 33 GLN N N 115.653 0.250 1 297 33 33 GLN NE2 N 108.434 0.250 1 298 34 34 ASP H H 8.723 0.030 1 299 34 34 ASP HA H 4.362 0.030 1 300 34 34 ASP HB2 H 2.940 0.030 1 301 34 34 ASP HB3 H 2.502 0.030 1 302 34 34 ASP C C 178.503 0.500 1 303 34 34 ASP CA C 57.225 0.500 1 304 34 34 ASP CB C 40.328 0.500 1 305 34 34 ASP N N 118.492 0.250 1 306 35 35 PHE H H 7.483 0.030 1 307 35 35 PHE HA H 3.908 0.030 1 308 35 35 PHE HB2 H 3.216 0.030 1 309 35 35 PHE HB3 H 2.693 0.030 1 310 35 35 PHE HD1 H 6.761 0.030 1 311 35 35 PHE HD2 H 6.761 0.030 1 312 35 35 PHE HE1 H 6.939 0.030 1 313 35 35 PHE HE2 H 6.939 0.030 1 314 35 35 PHE HZ H 7.437 0.030 1 315 35 35 PHE C C 177.387 0.500 1 316 35 35 PHE CA C 60.934 0.500 1 317 35 35 PHE CB C 43.063 0.500 1 318 35 35 PHE N N 118.872 0.250 1 319 36 36 LEU H H 8.352 0.030 1 320 36 36 LEU HA H 4.003 0.030 1 321 36 36 LEU HB2 H 1.602 0.030 2 322 36 36 LEU HB3 H 1.602 0.030 2 323 36 36 LEU HG H 1.490 0.030 1 324 36 36 LEU HD1 H 0.542 0.030 1 325 36 36 LEU HD2 H 0.969 0.030 1 326 36 36 LEU C C 178.763 0.500 1 327 36 36 LEU CA C 58.176 0.500 1 328 36 36 LEU CB C 43.154 0.500 1 329 36 36 LEU CD1 C 26.603 0.500 1 330 36 36 LEU CD2 C 24.956 0.500 1 331 36 36 LEU N N 118.678 0.250 1 332 37 37 LEU H H 7.942 0.030 1 333 37 37 LEU HA H 3.768 0.030 1 334 37 37 LEU HB2 H 1.752 0.030 1 335 37 37 LEU HB3 H 1.489 0.030 1 336 37 37 LEU HG H 1.802 0.030 1 337 37 37 LEU HD1 H 0.737 0.030 1 338 37 37 LEU HD2 H 0.823 0.030 1 339 37 37 LEU C C 178.039 0.500 1 340 37 37 LEU CA C 56.316 0.500 1 341 37 37 LEU CB C 41.610 0.500 1 342 37 37 LEU CG C 27.863 0.500 1 343 37 37 LEU CD1 C 27.877 0.500 1 344 37 37 LEU CD2 C 24.416 0.500 1 345 37 37 LEU N N 113.593 0.250 1 346 38 38 LYS H H 7.173 0.030 1 347 38 38 LYS HA H 4.216 0.030 1 348 38 38 LYS HB2 H 1.844 0.030 1 349 38 38 LYS HB3 H 1.740 0.030 1 350 38 38 LYS HG2 H 1.183 0.030 1 351 38 38 LYS HG3 H 1.183 0.030 1 352 38 38 LYS HD2 H 1.383 0.030 1 353 38 38 LYS HD3 H 1.383 0.030 1 354 38 38 LYS HE2 H 2.977 0.030 2 355 38 38 LYS HE3 H 2.977 0.030 2 356 38 38 LYS CA C 54.586 0.500 1 357 38 38 LYS CB C 33.537 0.500 1 358 38 38 LYS CG C 18.643 0.500 1 359 38 38 LYS CD C 24.788 0.500 1 360 38 38 LYS CE C 42.374 0.500 1 361 38 38 LYS N N 116.451 0.250 1 362 39 39 MET H H 7.853 0.030 1 363 39 39 MET N N 121.886 0.250 1 364 40 40 PRO HA H 3.938 0.030 1 365 40 40 PRO C C 173.799 0.500 1 366 40 40 PRO CA C 63.651 0.500 1 367 40 40 PRO CB C 32.057 0.500 1 368 40 40 PRO CG C 27.411 0.500 1 369 40 40 PRO CD C 50.649 0.500 1 370 41 41 GLY H H 7.813 0.030 1 371 41 41 GLY HA2 H 3.945 0.030 1 372 41 41 GLY HA3 H 4.426 0.030 1 373 41 41 GLY CA C 45.009 0.500 1 374 41 41 GLY N N 106.992 0.250 1 375 42 42 VAL H H 7.369 0.030 1 376 42 42 VAL HA H 4.265 0.030 1 377 42 42 VAL HB H 2.138 0.030 1 378 42 42 VAL HG1 H 0.781 0.030 1 379 42 42 VAL HG2 H 0.686 0.030 1 380 42 42 VAL C C 175.669 0.500 1 381 42 42 VAL CA C 61.726 0.500 1 382 42 42 VAL CB C 31.595 0.500 1 383 42 42 VAL CG1 C 22.442 0.500 1 384 42 42 VAL CG2 C 22.755 0.500 1 385 42 42 VAL N N 119.771 0.250 1 386 43 43 ASN H H 9.216 0.030 1 387 43 43 ASN HA H 4.763 0.030 1 388 43 43 ASN HB2 H 3.061 0.030 1 389 43 43 ASN HB3 H 2.778 0.030 1 390 43 43 ASN HD21 H 7.604 0.030 1 391 43 43 ASN HD22 H 6.450 0.030 1 392 43 43 ASN CA C 51.601 0.500 1 393 43 43 ASN CB C 40.750 0.500 1 394 43 43 ASN N N 123.721 0.250 1 395 43 43 ASN ND2 N 114.840 0.250 1 396 45 45 LYS HA H 4.229 0.030 1 397 45 45 LYS HB2 H 1.819 0.030 2 398 45 45 LYS HB3 H 1.819 0.030 2 399 45 45 LYS C C 177.217 0.500 1 400 46 46 ASN H H 8.105 0.030 1 401 46 46 ASN HA H 4.755 0.030 1 402 46 46 ASN HB2 H 3.135 0.030 1 403 46 46 ASN HB3 H 2.772 0.030 1 404 46 46 ASN HD21 H 7.663 0.030 1 405 46 46 ASN HD22 H 7.395 0.030 1 406 46 46 ASN C C 179.225 0.500 1 407 46 46 ASN CA C 53.195 0.500 1 408 46 46 ASN CB C 39.653 0.500 1 409 46 46 ASN N N 117.086 0.250 1 410 46 46 ASN ND2 N 108.699 0.250 1 411 47 47 CYS H H 8.021 0.030 1 412 47 47 CYS HA H 3.919 0.030 1 413 47 47 CYS HB2 H 2.940 0.030 1 414 47 47 CYS HB3 H 2.541 0.030 1 415 47 47 CYS C C 176.086 0.500 1 416 47 47 CYS CA C 61.439 0.500 1 417 47 47 CYS CB C 26.572 0.500 1 418 47 47 CYS N N 118.790 0.250 1 419 48 48 ARG H H 7.983 0.030 1 420 48 48 ARG HA H 3.735 0.030 1 421 48 48 ARG HB2 H 1.830 0.030 1 422 48 48 ARG HB3 H 1.773 0.030 1 423 48 48 ARG HG2 H 1.671 0.030 1 424 48 48 ARG HG3 H 1.592 0.030 1 425 48 48 ARG HD2 H 3.122 0.030 1 426 48 48 ARG HD3 H 3.122 0.030 1 427 48 48 ARG C C 178.430 0.500 1 428 48 48 ARG CA C 59.767 0.500 1 429 48 48 ARG CB C 29.452 0.500 1 430 48 48 ARG N N 121.907 0.250 1 431 49 49 SER H H 7.785 0.030 1 432 49 49 SER HA H 4.278 0.030 1 433 49 49 SER HB2 H 3.956 0.030 2 434 49 49 SER HB3 H 3.956 0.030 2 435 49 49 SER C C 177.594 0.500 1 436 49 49 SER CA C 61.529 0.500 1 437 49 49 SER CB C 62.496 0.500 1 438 49 49 SER N N 114.923 0.250 1 439 50 50 LEU H H 7.250 0.030 1 440 50 50 LEU HA H 3.860 0.030 1 441 50 50 LEU HB2 H 1.458 0.030 1 442 50 50 LEU HB3 H 1.380 0.030 1 443 50 50 LEU HG H 1.627 0.030 1 444 50 50 LEU HD1 H 0.698 0.030 1 445 50 50 LEU HD2 H 0.789 0.030 1 446 50 50 LEU C C 177.700 0.500 1 447 50 50 LEU CA C 58.856 0.500 1 448 50 50 LEU CB C 42.381 0.500 1 449 50 50 LEU CG C 23.169 0.500 1 450 50 50 LEU CD1 C 24.648 0.500 1 451 50 50 LEU CD2 C 26.396 0.500 1 452 50 50 LEU N N 121.037 0.250 1 453 51 51 MET H H 7.707 0.030 1 454 51 51 MET HA H 3.553 0.030 1 455 51 51 MET HB2 H 1.561 0.030 2 456 51 51 MET HB3 H 1.561 0.030 2 457 51 51 MET HG2 H 2.140 0.030 1 458 51 51 MET HG3 H 1.971 0.030 1 459 51 51 MET C C 175.411 0.500 1 460 51 51 MET CA C 58.866 0.500 1 461 51 51 MET CB C 33.736 0.500 1 462 51 51 MET CG C 28.987 0.500 1 463 51 51 MET N N 114.079 0.250 1 464 52 52 HIS H H 7.596 0.030 1 465 52 52 HIS HA H 4.489 0.030 1 466 52 52 HIS HB2 H 3.127 0.030 1 467 52 52 HIS HB3 H 2.997 0.030 1 468 52 52 HIS HD2 H 8.088 0.030 1 469 52 52 HIS HE1 H 7.087 0.030 1 470 52 52 HIS C C 175.604 0.500 1 471 52 52 HIS CA C 57.328 0.500 1 472 52 52 HIS CB C 29.666 0.500 1 473 52 52 HIS N N 112.010 0.250 1 474 53 53 HIS H H 7.733 0.030 1 475 53 53 HIS HA H 4.648 0.030 1 476 53 53 HIS HB2 H 3.337 0.030 1 477 53 53 HIS HB3 H 3.005 0.030 1 478 53 53 HIS HD2 H 8.088 0.030 1 479 53 53 HIS HE1 H 7.087 0.030 1 480 53 53 HIS C C 173.877 0.500 1 481 53 53 HIS CA C 58.145 0.500 1 482 53 53 HIS CB C 32.149 0.500 1 483 53 53 HIS N N 116.352 0.250 1 484 54 54 VAL H H 7.937 0.030 1 485 54 54 VAL HA H 4.477 0.030 1 486 54 54 VAL HB H 2.320 0.030 1 487 54 54 VAL HG1 H 1.034 0.030 1 488 54 54 VAL HG2 H 1.161 0.030 1 489 54 54 VAL C C 175.709 0.500 1 490 54 54 VAL CA C 60.587 0.500 1 491 54 54 VAL CB C 34.059 0.500 1 492 54 54 VAL CG1 C 21.544 0.500 1 493 54 54 VAL CG2 C 23.081 0.500 1 494 54 54 VAL N N 118.097 0.250 1 495 55 55 LYS H H 8.895 0.030 1 496 55 55 LYS HA H 4.002 0.030 1 497 55 55 LYS HB2 H 1.827 0.030 1 498 55 55 LYS HB3 H 1.509 0.030 1 499 55 55 LYS HG2 H 1.521 0.030 2 500 55 55 LYS HG3 H 1.521 0.030 2 501 55 55 LYS HD2 H 1.675 0.030 2 502 55 55 LYS HD3 H 1.675 0.030 2 503 55 55 LYS HE2 H 2.975 0.030 2 504 55 55 LYS HE3 H 2.975 0.030 2 505 55 55 LYS C C 176.373 0.500 1 506 55 55 LYS CA C 59.903 0.500 1 507 55 55 LYS CB C 34.006 0.500 1 508 55 55 LYS CG C 25.072 0.500 1 509 55 55 LYS CD C 29.041 0.500 1 510 55 55 LYS CE C 41.724 0.500 1 511 55 55 LYS N N 122.800 0.250 1 512 56 56 ASN H H 7.287 0.030 1 513 56 56 ASN HB2 H 3.110 0.030 2 514 56 56 ASN HB3 H 3.110 0.030 2 515 56 56 ASN HD21 H 6.863 0.030 1 516 56 56 ASN HD22 H 7.601 0.030 1 517 56 56 ASN CA C 50.746 0.500 1 518 56 56 ASN CB C 39.598 0.500 1 519 56 56 ASN N N 112.740 0.250 1 520 56 56 ASN ND2 N 109.779 0.250 1 521 57 57 ILE H H 9.041 0.030 1 522 57 57 ILE HA H 3.504 0.030 1 523 57 57 ILE HB H 1.618 0.030 1 524 57 57 ILE HG12 H 1.173 0.030 1 525 57 57 ILE HG13 H 1.000 0.030 1 526 57 57 ILE HG2 H 0.552 0.030 1 527 57 57 ILE HD1 H 0.840 0.030 1 528 57 57 ILE CA C 64.817 0.500 1 529 57 57 ILE CB C 35.992 0.500 1 530 57 57 ILE CG1 C 30.513 0.500 1 531 57 57 ILE CG2 C 17.206 0.500 1 532 57 57 ILE CD1 C 12.641 0.500 1 533 57 57 ILE N N 120.864 0.250 1 534 58 58 ALA H H 6.953 0.030 1 535 58 58 ALA HA H 3.736 0.030 1 536 58 58 ALA HB H 1.372 0.030 1 537 58 58 ALA C C 180.243 0.500 1 538 58 58 ALA CA C 54.978 0.500 1 539 58 58 ALA CB C 17.664 0.500 1 540 58 58 ALA N N 119.901 0.250 1 541 59 59 GLU H H 8.194 0.030 1 542 59 59 GLU HA H 3.976 0.030 1 543 59 59 GLU HB2 H 2.191 0.030 1 544 59 59 GLU HB3 H 2.057 0.030 1 545 59 59 GLU HG2 H 2.641 0.030 1 546 59 59 GLU HG3 H 2.620 0.030 1 547 59 59 GLU C C 179.232 0.500 1 548 59 59 GLU CA C 59.288 0.500 1 549 59 59 GLU CB C 29.780 0.500 1 550 59 59 GLU CG C 37.528 0.500 1 551 59 59 GLU N N 118.361 0.250 1 552 60 60 LEU H H 7.866 0.030 1 553 60 60 LEU HA H 4.003 0.030 1 554 60 60 LEU HB2 H 1.997 0.030 1 555 60 60 LEU HB3 H 1.862 0.030 1 556 60 60 LEU HG H 1.492 0.030 1 557 60 60 LEU HD1 H 0.974 0.030 1 558 60 60 LEU HD2 H 1.032 0.030 1 559 60 60 LEU C C 179.033 0.500 1 560 60 60 LEU CA C 57.907 0.500 1 561 60 60 LEU CB C 42.413 0.500 1 562 60 60 LEU CG C 26.307 0.500 1 563 60 60 LEU CD1 C 24.176 0.500 1 564 60 60 LEU CD2 C 26.647 0.500 1 565 60 60 LEU N N 119.596 0.250 1 566 61 61 ALA H H 7.591 0.030 1 567 61 61 ALA HA H 3.908 0.030 1 568 61 61 ALA HB H 1.341 0.030 1 569 61 61 ALA C C 175.738 0.500 1 570 61 61 ALA CA C 54.156 0.500 1 571 61 61 ALA CB C 19.020 0.500 1 572 61 61 ALA N N 116.818 0.250 1 573 62 62 ALA H H 7.406 0.030 1 574 62 62 ALA HA H 4.518 0.030 1 575 62 62 ALA HB H 1.533 0.030 1 576 62 62 ALA C C 178.025 0.500 1 577 62 62 ALA CA C 51.921 0.500 1 578 62 62 ALA CB C 19.643 0.500 1 579 62 62 ALA N N 118.213 0.250 1 580 63 63 LEU H H 7.002 0.030 1 581 63 63 LEU HA H 4.550 0.030 1 582 63 63 LEU HB2 H 1.824 0.030 1 583 63 63 LEU HB3 H 1.549 0.030 1 584 63 63 LEU HG H 1.530 0.030 1 585 63 63 LEU HD1 H 0.874 0.030 1 586 63 63 LEU HD2 H 0.914 0.030 1 587 63 63 LEU C C 177.835 0.500 1 588 63 63 LEU CA C 54.884 0.500 1 589 63 63 LEU CB C 43.434 0.500 1 590 63 63 LEU CD1 C 22.928 0.500 1 591 63 63 LEU CD2 C 27.251 0.500 1 592 63 63 LEU N N 118.590 0.250 1 593 64 64 SER H H 9.427 0.030 1 594 64 64 SER HA H 4.596 0.030 1 595 64 64 SER HB2 H 4.051 0.030 2 596 64 64 SER HB3 H 4.051 0.030 2 597 64 64 SER C C 174.709 0.500 1 598 64 64 SER CA C 57.180 0.500 1 599 64 64 SER CB C 65.334 0.500 1 600 64 64 SER N N 119.207 0.250 1 601 65 65 GLN H H 8.715 0.030 1 602 65 65 GLN HA H 3.565 0.030 1 603 65 65 GLN HB2 H 1.079 0.030 1 604 65 65 GLN HB3 H 1.533 0.030 1 605 65 65 GLN HE21 H 7.121 0.030 1 606 65 65 GLN HE22 H 6.545 0.030 1 607 65 65 GLN C C 179.075 0.500 1 608 65 65 GLN CA C 60.303 0.500 1 609 65 65 GLN CB C 28.251 0.500 1 610 65 65 GLN N N 121.867 0.250 1 611 65 65 GLN NE2 N 109.826 0.250 1 612 66 66 ASP H H 8.414 0.030 1 613 66 66 ASP HA H 4.273 0.030 1 614 66 66 ASP HB2 H 2.557 0.030 1 615 66 66 ASP HB3 H 2.485 0.030 1 616 66 66 ASP C C 178.992 0.500 1 617 66 66 ASP CA C 57.778 0.500 1 618 66 66 ASP CB C 40.339 0.500 1 619 66 66 ASP N N 120.118 0.250 1 620 67 67 GLU H H 7.961 0.030 1 621 67 67 GLU HA H 4.007 0.030 1 622 67 67 GLU HB2 H 2.312 0.030 1 623 67 67 GLU HB3 H 1.925 0.030 1 624 67 67 GLU HG2 H 2.372 0.030 1 625 67 67 GLU HG3 H 2.253 0.030 1 626 67 67 GLU C C 179.947 0.500 1 627 67 67 GLU CA C 59.624 0.500 1 628 67 67 GLU CB C 30.231 0.500 1 629 67 67 GLU CG C 34.191 0.500 1 630 67 67 GLU N N 122.538 0.250 1 631 68 68 LEU H H 8.330 0.030 1 632 68 68 LEU HA H 3.949 0.030 1 633 68 68 LEU HB2 H 1.351 0.030 1 634 68 68 LEU HB3 H 2.087 0.030 1 635 68 68 LEU C C 178.615 0.500 1 636 68 68 LEU CA C 57.986 0.500 1 637 68 68 LEU CB C 43.001 0.500 1 638 68 68 LEU N N 118.827 0.250 1 639 69 69 THR H H 8.379 0.030 1 640 69 69 THR C C 178.720 0.500 1 641 69 69 THR N N 119.319 0.250 1 642 70 70 SER H H 7.564 0.030 1 643 70 70 SER HA H 4.099 0.030 1 644 70 70 SER HB2 H 3.912 0.030 2 645 70 70 SER HB3 H 3.912 0.030 2 646 70 70 SER C C 176.038 0.500 1 647 70 70 SER N N 117.040 0.250 1 648 71 71 ILE H H 7.587 0.030 1 649 71 71 ILE HA H 3.505 0.030 1 650 71 71 ILE HB H 1.518 0.030 1 651 71 71 ILE HG12 H 1.616 0.030 2 652 71 71 ILE HG13 H 1.616 0.030 2 653 71 71 ILE HG2 H 0.464 0.030 1 654 71 71 ILE HD1 H 0.634 0.030 1 655 71 71 ILE C C 177.354 0.500 1 656 71 71 ILE CA C 64.282 0.500 1 657 71 71 ILE CB C 39.422 0.500 1 658 71 71 ILE CG1 C 28.578 0.500 1 659 71 71 ILE CG2 C 17.585 0.500 1 660 71 71 ILE CD1 C 14.505 0.500 1 661 71 71 ILE N N 119.282 0.250 1 662 72 72 LEU H H 8.492 0.030 1 663 72 72 LEU HA H 4.154 0.030 1 664 72 72 LEU HB2 H 1.445 0.030 2 665 72 72 LEU HB3 H 1.445 0.030 2 666 72 72 LEU HD1 H 0.711 0.030 1 667 72 72 LEU HD2 H 0.765 0.030 1 668 72 72 LEU C C 178.890 0.500 1 669 72 72 LEU CA C 56.278 0.500 1 670 72 72 LEU CB C 42.549 0.500 1 671 72 72 LEU CG C 27.281 0.500 1 672 72 72 LEU CD1 C 25.165 0.500 1 673 72 72 LEU CD2 C 27.281 0.500 1 674 72 72 LEU N N 115.591 0.250 1 675 73 73 GLY H H 8.120 0.030 1 676 73 73 GLY HA2 H 4.092 0.030 1 677 73 73 GLY HA3 H 3.830 0.030 1 678 73 73 GLY C C 173.417 0.500 1 679 73 73 GLY CA C 46.005 0.500 1 680 73 73 GLY N N 107.922 0.250 1 681 74 74 ASN H H 6.591 0.030 1 682 74 74 ASN HB2 H 2.754 0.030 1 683 74 74 ASN HB3 H 2.638 0.030 1 684 74 74 ASN HD21 H 7.774 0.030 1 685 74 74 ASN HD22 H 6.878 0.030 1 686 74 74 ASN CA C 53.730 0.500 1 687 74 74 ASN CB C 41.595 0.500 1 688 74 74 ASN N N 114.462 0.250 1 689 74 74 ASN ND2 N 113.632 0.250 1 690 76 76 ALA H H 8.331 0.030 1 691 76 76 ALA HA H 4.176 0.030 1 692 76 76 ALA HB H 1.460 0.030 1 693 76 76 ALA CA C 55.325 0.500 1 694 76 76 ALA CB C 17.711 0.500 1 695 76 76 ALA N N 123.291 0.250 1 696 77 77 ASN H H 8.361 0.030 1 697 77 77 ASN HA H 4.425 0.030 1 698 77 77 ASN HB2 H 3.283 0.030 1 699 77 77 ASN HB3 H 2.397 0.030 1 700 77 77 ASN HD21 H 7.419 0.030 1 701 77 77 ASN HD22 H 6.904 0.030 1 702 77 77 ASN C C 176.483 0.500 1 703 77 77 ASN CA C 56.111 0.500 1 704 77 77 ASN CB C 37.931 0.500 1 705 77 77 ASN N N 118.142 0.250 1 706 77 77 ASN ND2 N 109.734 0.250 1 707 78 78 ALA H H 7.540 0.030 1 708 78 78 ALA HA H 3.813 0.030 1 709 78 78 ALA HB H 1.423 0.030 1 710 78 78 ALA C C 178.308 0.500 1 711 78 78 ALA CA C 55.357 0.500 1 712 78 78 ALA CB C 20.269 0.500 1 713 78 78 ALA N N 119.660 0.250 1 714 79 79 LYS H H 8.009 0.030 1 715 79 79 LYS HA H 3.950 0.030 1 716 79 79 LYS HB2 H 1.946 0.030 2 717 79 79 LYS HB3 H 1.946 0.030 2 718 79 79 LYS C C 177.663 0.500 1 719 79 79 LYS CA C 59.779 0.500 1 720 79 79 LYS CB C 32.500 0.500 1 721 79 79 LYS N N 118.665 0.250 1 722 80 80 GLN H H 7.661 0.030 1 723 80 80 GLN HA H 4.062 0.030 1 724 80 80 GLN HB2 H 1.936 0.030 1 725 80 80 GLN HB3 H 1.815 0.030 1 726 80 80 GLN HG2 H 2.419 0.030 1 727 80 80 GLN HG3 H 2.419 0.030 1 728 80 80 GLN HE21 H 7.164 0.030 1 729 80 80 GLN HE22 H 6.688 0.030 1 730 80 80 GLN CA C 59.313 0.500 1 731 80 80 GLN CB C 29.064 0.500 1 732 80 80 GLN N N 116.265 0.250 1 733 80 80 GLN NE2 N 110.122 0.250 1 734 81 81 LEU H H 7.835 0.030 1 735 81 81 LEU HA H 3.290 0.030 1 736 81 81 LEU HB2 H 1.399 0.030 1 737 81 81 LEU HB3 H 1.685 0.030 1 738 81 81 LEU HD1 H 0.672 0.030 0 739 81 81 LEU CA C 58.140 0.500 1 740 81 81 LEU CB C 42.568 0.500 1 741 81 81 LEU N N 121.886 0.250 1 742 82 82 TYR H H 8.872 0.030 1 743 82 82 TYR HA H 3.818 0.030 1 744 82 82 TYR HD1 H 7.196 0.030 3 745 82 82 TYR HD2 H 7.196 0.030 3 746 82 82 TYR HE1 H 6.786 0.030 3 747 82 82 TYR HE2 H 6.786 0.030 3 748 82 82 TYR C C 178.828 0.500 1 749 82 82 TYR CA C 63.623 0.500 1 750 82 82 TYR CB C 39.661 0.500 1 751 82 82 TYR N N 119.747 0.250 1 752 83 83 ASP H H 9.255 0.030 1 753 83 83 ASP HA H 4.637 0.030 1 754 83 83 ASP HB2 H 2.929 0.030 2 755 83 83 ASP HB3 H 2.929 0.030 2 756 83 83 ASP C C 179.684 0.500 1 757 83 83 ASP CA C 57.142 0.500 1 758 83 83 ASP CB C 38.703 0.500 1 759 83 83 ASP N N 118.973 0.250 1 760 84 84 PHE H H 8.034 0.030 1 761 84 84 PHE HA H 4.434 0.030 1 762 84 84 PHE HB2 H 3.807 0.030 1 763 84 84 PHE HB3 H 3.362 0.030 1 764 84 84 PHE HD1 H 6.945 0.030 3 765 84 84 PHE HD2 H 6.945 0.030 3 766 84 84 PHE HE1 H 6.710 0.030 3 767 84 84 PHE HE2 H 6.710 0.030 3 768 84 84 PHE HZ H 7.175 0.030 1 769 84 84 PHE C C 175.666 0.500 1 770 84 84 PHE CA C 61.369 0.500 1 771 84 84 PHE CB C 32.717 0.500 1 772 84 84 PHE N N 122.477 0.250 1 773 85 85 ILE H H 7.657 0.030 1 774 85 85 ILE HA H 3.393 0.030 1 775 85 85 ILE HB H 2.129 0.030 1 776 85 85 ILE HG12 H 1.596 0.030 2 777 85 85 ILE HG13 H 1.596 0.030 2 778 85 85 ILE HG2 H 1.386 0.030 1 779 85 85 ILE HD1 H 0.669 0.030 1 780 85 85 ILE C C 175.472 0.500 1 781 85 85 ILE CA C 64.347 0.500 1 782 85 85 ILE CB C 39.353 0.500 1 783 85 85 ILE CG1 C 29.782 0.500 1 784 85 85 ILE CG2 C 16.762 0.500 1 785 85 85 ILE CD1 C 13.840 0.500 1 786 85 85 ILE N N 114.654 0.250 1 787 86 86 HIS H H 7.560 0.030 1 788 86 86 HIS HA H 4.453 0.030 1 789 86 86 HIS HB2 H 2.648 0.030 2 790 86 86 HIS HB3 H 2.648 0.030 2 791 86 86 HIS HD2 H 8.841 0.030 1 792 86 86 HIS HE1 H 6.333 0.030 1 793 86 86 HIS C C 174.803 0.500 1 794 86 86 HIS CA C 56.600 0.500 1 795 86 86 HIS CB C 29.667 0.500 1 796 86 86 HIS N N 110.686 0.250 1 797 87 87 THR H H 7.523 0.030 1 798 87 87 THR HA H 4.104 0.030 1 799 87 87 THR HB H 3.804 0.030 1 800 87 87 THR HG2 H 0.703 0.030 1 801 87 87 THR C C 172.659 0.500 1 802 87 87 THR CA C 64.698 0.500 1 803 87 87 THR CB C 69.757 0.500 1 804 87 87 THR CG2 C 20.765 0.500 1 805 87 87 THR N N 118.940 0.250 1 806 88 88 SER H H 8.525 0.030 1 807 88 88 SER HA H 4.754 0.030 1 808 88 88 SER HB2 H 3.931 0.030 1 809 88 88 SER HB3 H 3.836 0.030 1 810 88 88 SER C C 175.252 0.500 1 811 88 88 SER CA C 56.556 0.500 1 812 88 88 SER CB C 64.295 0.500 1 813 88 88 SER N N 120.093 0.250 1 814 89 89 PHE H H 9.028 0.030 1 815 89 89 PHE HA H 4.367 0.030 1 816 89 89 PHE HB2 H 3.141 0.030 1 817 89 89 PHE HB3 H 2.292 0.030 1 818 89 89 PHE HD1 H 7.318 0.030 3 819 89 89 PHE HD2 H 7.318 0.030 3 820 89 89 PHE HE1 H 7.262 0.030 3 821 89 89 PHE HE2 H 7.262 0.030 3 822 89 89 PHE HZ H 7.479 0.030 1 823 89 89 PHE CA C 58.937 0.500 1 824 89 89 PHE CB C 39.431 0.500 1 825 89 89 PHE N N 126.435 0.250 1 826 90 90 ALA H H 8.303 0.030 1 827 90 90 ALA HA H 4.029 0.030 1 828 90 90 ALA HB H 1.369 0.030 1 829 90 90 ALA C C 178.992 0.500 1 830 90 90 ALA CA C 54.238 0.500 1 831 90 90 ALA CB C 19.052 0.500 1 832 90 90 ALA N N 120.956 0.250 1 833 91 91 GLU H H 7.817 0.030 1 834 91 91 GLU HA H 4.135 0.030 1 835 91 91 GLU HB2 H 2.228 0.030 1 836 91 91 GLU HB3 H 2.039 0.030 1 837 91 91 GLU C C 177.621 0.500 1 838 91 91 GLU CA C 57.652 0.500 1 839 91 91 GLU CB C 30.011 0.500 1 840 91 91 GLU CG C 36.529 0.500 1 841 91 91 GLU N N 117.311 0.250 1 842 92 92 VAL H H 7.611 0.030 1 843 92 92 VAL HA H 3.872 0.030 1 844 92 92 VAL HB H 2.038 0.030 1 845 92 92 VAL HG1 H 0.793 0.030 1 846 92 92 VAL HG2 H 0.853 0.030 1 847 92 92 VAL C C 177.321 0.500 1 848 92 92 VAL CA C 64.150 0.500 1 849 92 92 VAL CB C 32.294 0.500 1 850 92 92 VAL CG1 C 21.313 0.500 1 851 92 92 VAL CG2 C 21.313 0.500 1 852 92 92 VAL N N 118.827 0.250 1 853 93 93 VAL H H 7.816 0.030 1 854 93 93 VAL HA H 3.929 0.030 1 855 93 93 VAL HB H 1.933 0.030 1 856 93 93 VAL HG1 H 0.790 0.030 1 857 93 93 VAL HG2 H 0.810 0.030 1 858 93 93 VAL C C 177.031 0.500 1 859 93 93 VAL CA C 63.567 0.500 1 860 93 93 VAL CB C 31.992 0.500 1 861 93 93 VAL CG1 C 21.110 0.500 1 862 93 93 VAL CG2 C 21.110 0.500 1 863 93 93 VAL N N 119.143 0.250 1 864 94 94 SER H H 7.959 0.030 1 865 94 94 SER HA H 4.322 0.030 1 866 94 94 SER HB2 H 3.904 0.030 1 867 94 94 SER HB3 H 3.861 0.030 1 868 94 94 SER C C 175.297 0.500 1 869 94 94 SER CA C 59.292 0.500 1 870 94 94 SER CB C 63.575 0.500 1 871 94 94 SER N N 116.942 0.250 1 872 95 95 LYS H H 8.026 0.030 1 873 95 95 LYS HA H 4.243 0.030 1 874 95 95 LYS HB2 H 1.825 0.030 2 875 95 95 LYS HB3 H 1.825 0.030 2 876 95 95 LYS HG2 H 1.509 0.030 1 877 95 95 LYS HG3 H 1.434 0.030 1 878 95 95 LYS HD2 H 1.666 0.030 2 879 95 95 LYS HD3 H 1.666 0.030 2 880 95 95 LYS HE2 H 2.971 0.030 2 881 95 95 LYS HE3 H 2.971 0.030 2 882 95 95 LYS C C 177.447 0.500 1 883 95 95 LYS CA C 57.068 0.500 1 884 95 95 LYS CB C 32.627 0.500 1 885 95 95 LYS CG C 24.870 0.500 1 886 95 95 LYS CD C 29.059 0.500 1 887 95 95 LYS CE C 42.051 0.500 1 888 95 95 LYS N N 122.273 0.250 1 889 96 96 GLY H H 8.202 0.030 1 890 96 96 GLY HA2 H 4.308 0.030 1 891 96 96 GLY HA3 H 3.924 0.030 1 892 96 96 GLY C C 174.362 0.500 1 893 96 96 GLY CA C 45.612 0.500 1 894 96 96 GLY N N 108.698 0.250 1 895 97 97 LYS H H 8.011 0.030 1 896 97 97 LYS HA H 4.299 0.030 1 897 97 97 LYS HB2 H 1.865 0.030 1 898 97 97 LYS HB3 H 1.764 0.030 1 899 97 97 LYS HG2 H 1.460 0.030 1 900 97 97 LYS HG3 H 1.397 0.030 1 901 97 97 LYS HD2 H 1.664 0.030 2 902 97 97 LYS HD3 H 1.664 0.030 2 903 97 97 LYS HE2 H 2.979 0.030 2 904 97 97 LYS HE3 H 2.979 0.030 2 905 97 97 LYS C C 177.185 0.500 1 906 97 97 LYS CA C 56.543 0.500 1 907 97 97 LYS CB C 33.081 0.500 1 908 97 97 LYS CG C 24.708 0.500 1 909 97 97 LYS CD C 28.992 0.500 1 910 97 97 LYS CE C 42.261 0.500 1 911 97 97 LYS N N 120.475 0.250 1 912 98 98 GLY H H 8.354 0.030 1 913 98 98 GLY HA2 H 3.927 0.030 2 914 98 98 GLY HA3 H 3.927 0.030 2 915 98 98 GLY C C 173.832 0.500 1 916 98 98 GLY CA C 45.240 0.500 1 917 98 98 GLY N N 109.636 0.250 1 918 99 99 LYS H H 8.016 0.030 1 919 99 99 LYS HA H 4.316 0.030 1 920 99 99 LYS HB2 H 1.827 0.030 1 921 99 99 LYS HB3 H 1.725 0.030 1 922 99 99 LYS HG2 H 1.388 0.030 2 923 99 99 LYS HG3 H 1.388 0.030 2 924 99 99 LYS HD2 H 1.644 0.030 2 925 99 99 LYS HD3 H 1.644 0.030 2 926 99 99 LYS HE2 H 2.980 0.030 2 927 99 99 LYS HE3 H 2.980 0.030 2 928 99 99 LYS C C 175.616 0.500 1 929 99 99 LYS CA C 56.404 0.500 1 930 99 99 LYS CB C 33.075 0.500 1 931 99 99 LYS CG C 24.565 0.500 1 932 99 99 LYS CD C 29.031 0.500 1 933 99 99 LYS CE C 42.139 0.500 1 934 99 99 LYS N N 121.242 0.250 1 935 100 100 LYS H H 7.912 0.030 1 936 100 100 LYS HA H 4.123 0.030 1 937 100 100 LYS HB2 H 1.791 0.030 1 938 100 100 LYS HB3 H 1.664 0.030 1 939 100 100 LYS HG2 H 1.387 0.030 2 940 100 100 LYS HG3 H 1.387 0.030 2 941 100 100 LYS HD2 H 2.084 0.030 2 942 100 100 LYS HD3 H 2.084 0.030 2 943 100 100 LYS HE2 H 2.977 0.030 2 944 100 100 LYS HE3 H 2.977 0.030 2 945 100 100 LYS CA C 57.759 0.500 1 946 100 100 LYS CB C 33.681 0.500 1 947 100 100 LYS CG C 24.767 0.500 1 948 100 100 LYS CD C 29.411 0.500 1 949 100 100 LYS CE C 42.087 0.500 1 950 100 100 LYS N N 128.152 0.250 1 stop_ save_ save_assign_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name 'ERCC-1 subunit' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 102 2 SER HA H 4.220 0.030 1 2 102 2 SER C C 174.828 0.500 1 3 103 3 HIS H H 8.219 0.030 1 4 103 3 HIS HA H 4.519 0.030 1 5 103 3 HIS HB2 H 2.851 0.030 1 6 103 3 HIS HB3 H 2.751 0.030 1 7 103 3 HIS HD2 H 8.841 0.030 1 8 103 3 HIS HE1 H 7.000 0.030 1 9 103 3 HIS C C 174.978 0.500 1 10 103 3 HIS CA C 56.801 0.500 1 11 103 3 HIS CB C 33.092 0.500 1 12 103 3 HIS N N 122.085 0.250 1 13 104 4 MET H H 7.717 0.030 1 14 104 4 MET HA H 4.371 0.030 1 15 104 4 MET HB2 H 1.969 0.030 2 16 104 4 MET HB3 H 1.969 0.030 2 17 104 4 MET HG2 H 1.962 0.030 2 18 104 4 MET HG3 H 1.962 0.030 2 19 104 4 MET CA C 58.747 0.500 1 20 104 4 MET CB C 34.974 0.500 1 21 104 4 MET N N 121.368 0.250 1 22 105 5 PRO HA H 4.361 0.030 1 23 105 5 PRO HB2 H 2.330 0.030 1 24 105 5 PRO HB3 H 1.951 0.030 1 25 105 5 PRO HG2 H 2.069 0.030 2 26 105 5 PRO HG3 H 2.069 0.030 2 27 105 5 PRO HD2 H 3.802 0.030 1 28 105 5 PRO HD3 H 3.650 0.030 1 29 105 5 PRO C C 177.021 0.500 1 30 105 5 PRO CA C 63.528 0.500 1 31 105 5 PRO CB C 32.051 0.500 1 32 105 5 PRO CG C 27.442 0.500 1 33 105 5 PRO CD C 50.586 0.500 1 34 106 6 ALA H H 8.366 0.030 1 35 106 6 ALA HA H 4.179 0.030 1 36 106 6 ALA HB H 1.377 0.030 1 37 106 6 ALA C C 178.062 0.500 1 38 106 6 ALA CA C 53.374 0.500 1 39 106 6 ALA CB C 19.203 0.500 1 40 106 6 ALA N N 123.289 0.250 1 41 107 7 ASP H H 8.168 0.030 1 42 107 7 ASP HA H 4.486 0.030 1 43 107 7 ASP HB2 H 2.690 0.030 1 44 107 7 ASP HB3 H 2.623 0.030 1 45 107 7 ASP C C 176.825 0.500 1 46 107 7 ASP CA C 54.917 0.500 1 47 107 7 ASP CB C 40.905 0.500 1 48 107 7 ASP N N 118.033 0.250 1 49 108 8 LEU H H 7.863 0.030 1 50 108 8 LEU HA H 4.236 0.030 1 51 108 8 LEU HB2 H 1.653 0.030 1 52 108 8 LEU HB3 H 1.609 0.030 1 53 108 8 LEU HG H 1.480 0.030 1 54 108 8 LEU HD1 H 0.853 0.030 1 55 108 8 LEU HD2 H 0.911 0.030 1 56 108 8 LEU C C 177.913 0.500 1 57 108 8 LEU CA C 56.059 0.500 1 58 108 8 LEU CB C 42.252 0.500 1 59 108 8 LEU CG C 27.087 0.500 1 60 108 8 LEU CD1 C 24.845 0.500 1 61 108 8 LEU CD2 C 23.609 0.500 1 62 108 8 LEU N N 121.660 0.250 1 63 109 9 LEU H H 7.970 0.030 1 64 109 9 LEU HA H 4.254 0.030 1 65 109 9 LEU HB2 H 1.614 0.030 2 66 109 9 LEU HB3 H 1.614 0.030 2 67 109 9 LEU HD1 H 0.842 0.030 1 68 109 9 LEU HD2 H 0.898 0.030 1 69 109 9 LEU C C 177.981 0.500 1 70 109 9 LEU CA C 56.028 0.500 1 71 109 9 LEU CB C 42.112 0.500 1 72 109 9 LEU CG C 27.199 0.500 1 73 109 9 LEU CD1 C 23.874 0.500 1 74 109 9 LEU CD2 C 24.874 0.500 1 75 109 9 LEU N N 121.342 0.250 1 76 110 10 MET H H 8.040 0.030 1 77 110 10 MET HA H 4.334 0.030 1 78 110 10 MET HB2 H 2.333 0.030 1 79 110 10 MET HB3 H 2.074 0.030 1 80 110 10 MET HG2 H 2.648 0.030 1 81 110 10 MET HG3 H 2.565 0.030 1 82 110 10 MET C C 177.224 0.500 1 83 110 10 MET CA C 56.615 0.500 1 84 110 10 MET CB C 32.825 0.500 1 85 110 10 MET N N 119.516 0.250 1 86 111 11 GLU H H 8.203 0.030 1 87 111 11 GLU HA H 4.194 0.030 1 88 111 11 GLU HB2 H 2.069 0.030 1 89 111 11 GLU HB3 H 2.007 0.030 1 90 111 11 GLU HG2 H 2.320 0.030 1 91 111 11 GLU HG3 H 2.239 0.030 1 92 111 11 GLU C C 177.350 0.500 1 93 111 11 GLU CA C 57.881 0.500 1 94 111 11 GLU CB C 30.002 0.500 1 95 111 11 GLU CG C 36.397 0.500 1 96 111 11 GLU N N 120.715 0.250 1 97 112 12 LYS H H 8.059 0.030 1 98 112 12 LYS HA H 4.196 0.030 1 99 112 12 LYS HB2 H 2.009 0.030 1 100 112 12 LYS HB3 H 1.843 0.030 1 101 112 12 LYS HG2 H 1.453 0.030 2 102 112 12 LYS HG3 H 1.453 0.030 2 103 112 12 LYS HD2 H 1.673 0.030 2 104 112 12 LYS HD3 H 1.673 0.030 2 105 112 12 LYS HE2 H 2.987 0.030 2 106 112 12 LYS HE3 H 2.987 0.030 2 107 112 12 LYS CA C 57.633 0.500 1 108 112 12 LYS CB C 32.733 0.500 1 109 112 12 LYS CG C 24.926 0.500 1 110 112 12 LYS CD C 29.851 0.500 1 111 112 12 LYS CE C 42.086 0.500 1 112 112 12 LYS N N 120.996 0.250 1 113 113 13 LEU H H 8.088 0.030 1 114 113 13 LEU HA H 4.260 0.030 1 115 113 13 LEU HB2 H 1.550 0.030 1 116 113 13 LEU HB3 H 1.620 0.030 1 117 113 13 LEU HD1 H 0.888 0.030 1 118 113 13 LEU HD2 H 0.934 0.030 1 119 113 13 LEU C C 178.791 0.500 1 120 113 13 LEU CA C 56.603 0.500 1 121 113 13 LEU CB C 42.126 0.500 1 122 113 13 LEU CG C 29.818 0.500 1 123 113 13 LEU CD1 C 23.707 0.500 1 124 113 13 LEU CD2 C 25.109 0.500 1 125 113 13 LEU N N 121.215 0.250 1 126 114 14 GLU H H 8.235 0.030 1 127 114 14 GLU HA H 4.102 0.030 1 128 114 14 GLU HB2 H 2.092 0.030 2 129 114 14 GLU HB3 H 2.092 0.030 2 130 114 14 GLU HG2 H 2.282 0.030 1 131 114 14 GLU HG3 H 2.223 0.030 1 132 114 14 GLU C C 177.287 0.500 1 133 114 14 GLU CA C 58.406 0.500 1 134 114 14 GLU CB C 29.704 0.500 1 135 114 14 GLU CG C 36.216 0.500 1 136 114 14 GLU N N 120.475 0.250 1 137 115 15 GLN H H 8.202 0.030 1 138 115 15 GLN HA H 4.189 0.030 1 139 115 15 GLN HB2 H 2.239 0.030 1 140 115 15 GLN HB3 H 1.884 0.030 1 141 115 15 GLN HG3 H 2.026 0.030 1 142 115 15 GLN HE21 H 7.500 0.030 1 143 115 15 GLN HE22 H 6.811 0.030 1 144 115 15 GLN C C 177.643 0.500 1 145 115 15 GLN CA C 57.708 0.500 1 146 115 15 GLN CB C 29.130 0.500 1 147 115 15 GLN N N 119.459 0.250 1 148 115 15 GLN NE2 N 111.949 0.250 1 149 116 16 ASP H H 8.498 0.030 1 150 116 16 ASP HA H 4.544 0.030 1 151 116 16 ASP HB2 H 2.856 0.030 1 152 116 16 ASP HB3 H 2.732 0.030 1 153 116 16 ASP C C 177.921 0.500 1 154 116 16 ASP CA C 55.992 0.500 1 155 116 16 ASP CB C 41.275 0.500 1 156 116 16 ASP N N 121.221 0.250 1 157 117 17 PHE H H 8.222 0.030 1 158 117 17 PHE HA H 4.447 0.030 1 159 117 17 PHE HB2 H 3.459 0.030 1 160 117 17 PHE HB3 H 3.179 0.030 1 161 117 17 PHE CA C 61.715 0.500 1 162 117 17 PHE CB C 39.622 0.500 1 163 117 17 PHE N N 121.688 0.250 1 164 118 18 VAL H H 8.344 0.030 1 165 118 18 VAL HA H 4.177 0.030 1 166 118 18 VAL HG1 H 0.846 0.030 1 167 118 18 VAL HG2 H 1.104 0.030 1 168 118 18 VAL C C 179.646 0.500 1 169 118 18 VAL CA C 66.850 0.500 1 170 118 18 VAL CB C 31.679 0.500 1 171 118 18 VAL CG1 C 21.136 0.500 1 172 118 18 VAL CG2 C 23.494 0.500 1 173 118 18 VAL N N 118.142 0.250 1 174 119 19 SER H H 8.410 0.030 1 175 119 19 SER HA H 4.147 0.030 1 176 119 19 SER HB2 H 3.957 0.030 2 177 119 19 SER HB3 H 3.957 0.030 2 178 119 19 SER C C 176.695 0.500 1 179 119 19 SER CA C 62.246 0.500 1 180 119 19 SER N N 118.168 0.250 1 181 120 20 ARG H H 8.140 0.030 1 182 120 20 ARG HA H 4.137 0.030 1 183 120 20 ARG HB2 H 2.110 0.030 2 184 120 20 ARG HB3 H 2.110 0.030 2 185 120 20 ARG C C 179.595 0.500 1 186 120 20 ARG CA C 58.252 0.500 1 187 120 20 ARG CB C 30.129 0.500 1 188 120 20 ARG CG C 27.519 0.500 1 189 120 20 ARG CD C 42.628 0.500 1 190 120 20 ARG N N 121.992 0.250 1 191 121 21 VAL H H 8.555 0.030 1 192 121 21 VAL HA H 3.634 0.030 1 193 121 21 VAL HB H 1.839 0.030 1 194 121 21 VAL HG1 H 0.462 0.030 1 195 121 21 VAL HG2 H 0.710 0.030 1 196 121 21 VAL C C 178.131 0.500 1 197 121 21 VAL CA C 67.527 0.500 1 198 121 21 VAL CB C 31.477 0.500 1 199 121 21 VAL CG1 C 23.298 0.500 1 200 121 21 VAL CG2 C 21.783 0.500 1 201 121 21 VAL N N 120.939 0.250 1 202 122 22 THR H H 8.164 0.030 1 203 122 22 THR HA H 4.379 0.030 1 204 122 22 THR HB H 3.795 0.030 1 205 122 22 THR HG2 H 1.206 0.030 1 206 122 22 THR C C 176.308 0.500 1 207 122 22 THR CA C 60.208 0.500 1 208 122 22 THR CB C 68.392 0.500 1 209 122 22 THR N N 117.344 0.250 1 210 123 23 GLU H H 8.176 0.030 1 211 123 23 GLU HA H 3.782 0.030 1 212 123 23 GLU HB2 H 2.174 0.030 1 213 123 23 GLU HB3 H 1.948 0.030 1 214 123 23 GLU C C 178.102 0.500 1 215 123 23 GLU CA C 59.842 0.500 1 216 123 23 GLU CB C 29.420 0.500 1 217 123 23 GLU N N 122.702 0.250 1 218 124 24 CYS H H 7.323 0.030 1 219 124 24 CYS HA H 3.598 0.030 1 220 124 24 CYS HB2 H 3.061 0.030 2 221 124 24 CYS HB3 H 3.061 0.030 2 222 124 24 CYS C C 176.663 0.500 1 223 124 24 CYS CA C 63.401 0.500 1 224 124 24 CYS CB C 26.073 0.500 1 225 124 24 CYS N N 114.638 0.250 1 226 125 25 LEU H H 8.274 0.030 1 227 125 25 LEU HA H 3.928 0.030 1 228 125 25 LEU HB2 H 1.835 0.030 2 229 125 25 LEU HB3 H 1.835 0.030 2 230 125 25 LEU HD1 H 0.832 0.030 1 231 125 25 LEU HD2 H 0.896 0.030 1 232 125 25 LEU C C 177.699 0.500 1 233 125 25 LEU CA C 58.828 0.500 1 234 125 25 LEU CB C 41.477 0.500 1 235 125 25 LEU CG C 24.452 0.500 1 236 125 25 LEU CD1 C 23.200 0.500 1 237 125 25 LEU CD2 C 23.200 0.500 1 238 125 25 LEU N N 120.266 0.250 1 239 126 26 THR H H 7.974 0.030 1 240 126 26 THR HA H 4.544 0.030 1 241 126 26 THR HB H 4.328 0.030 1 242 126 26 THR HG2 H 1.132 0.030 1 243 126 26 THR C C 176.180 0.500 1 244 126 26 THR CA C 63.187 0.500 1 245 126 26 THR CB C 69.237 0.500 1 246 126 26 THR CG2 C 19.181 0.500 1 247 126 26 THR N N 102.819 0.250 1 248 127 27 THR H H 7.389 0.030 1 249 127 27 THR HA H 4.164 0.030 1 250 127 27 THR HG2 H 1.381 0.030 1 251 127 27 THR C C 175.242 0.500 1 252 127 27 THR CA C 64.576 0.500 1 253 127 27 THR CB C 69.864 0.500 1 254 127 27 THR CG2 C 21.347 0.500 1 255 127 27 THR N N 112.319 0.250 1 256 128 28 VAL H H 7.516 0.030 1 257 128 28 VAL HA H 3.853 0.030 1 258 128 28 VAL HB H 2.353 0.030 1 259 128 28 VAL CA C 55.408 0.500 1 260 128 28 VAL N N 124.356 0.250 1 261 129 29 LYS H H 8.289 0.030 1 262 129 29 LYS HA H 3.979 0.030 1 263 129 29 LYS HB2 H 1.846 0.030 1 264 129 29 LYS HB3 H 1.700 0.030 1 265 129 29 LYS HG2 H 1.530 0.030 1 266 129 29 LYS HG3 H 1.465 0.030 1 267 129 29 LYS C C 177.827 0.500 1 268 129 29 LYS CA C 58.435 0.500 1 269 129 29 LYS CB C 32.212 0.500 1 270 129 29 LYS CG C 24.555 0.500 1 271 129 29 LYS CD C 29.015 0.500 1 272 129 29 LYS N N 128.101 0.250 1 273 130 30 SER H H 8.605 0.030 1 274 130 30 SER HA H 4.276 0.030 1 275 130 30 SER HB2 H 4.102 0.030 2 276 130 30 SER HB3 H 4.102 0.030 2 277 130 30 SER C C 173.696 0.500 1 278 130 30 SER CB C 61.539 0.500 1 279 130 30 SER N N 118.895 0.250 1 280 131 31 VAL H H 8.215 0.030 1 281 131 31 VAL HA H 4.379 0.030 1 282 131 31 VAL HB H 1.977 0.030 1 283 131 31 VAL HG1 H 0.856 0.030 1 284 131 31 VAL HG2 H 0.884 0.030 1 285 131 31 VAL CA C 58.661 0.500 1 286 131 31 VAL CB C 34.633 0.500 1 287 131 31 VAL CG1 C 19.856 0.500 1 288 131 31 VAL CG2 C 21.228 0.500 1 289 131 31 VAL N N 126.302 0.250 1 290 134 34 THR H H 8.004 0.030 1 291 134 34 THR HA H 4.269 0.030 1 292 134 34 THR HB H 3.982 0.030 1 293 134 34 THR HG2 H 1.216 0.030 1 294 134 34 THR C C 176.816 0.500 1 295 134 34 THR CA C 66.373 0.500 1 296 134 34 THR CB C 67.911 0.500 1 297 134 34 THR CG2 C 21.921 0.500 1 298 134 34 THR N N 119.053 0.250 1 299 135 35 ASP H H 8.553 0.030 1 300 135 35 ASP HA H 4.297 0.030 1 301 135 35 ASP HB2 H 3.003 0.030 1 302 135 35 ASP HB3 H 2.312 0.030 1 303 135 35 ASP C C 178.460 0.500 1 304 135 35 ASP CA C 56.787 0.500 1 305 135 35 ASP CB C 41.414 0.500 1 306 135 35 ASP N N 124.060 0.250 1 307 136 36 SER H H 8.067 0.030 1 308 136 36 SER HA H 4.103 0.030 1 309 136 36 SER HB2 H 3.930 0.030 2 310 136 36 SER HB3 H 3.930 0.030 2 311 136 36 SER CA C 62.614 0.500 1 312 136 36 SER CB C 67.254 0.500 1 313 136 36 SER N N 113.490 0.250 1 314 137 37 GLN H H 7.609 0.030 1 315 137 37 GLN HA H 3.840 0.030 1 316 137 37 GLN HB2 H 2.154 0.030 2 317 137 37 GLN HB3 H 2.154 0.030 2 318 137 37 GLN HE21 H 7.302 0.030 1 319 137 37 GLN HE22 H 6.561 0.030 1 320 137 37 GLN C C 178.731 0.500 1 321 137 37 GLN CA C 58.447 0.500 1 322 137 37 GLN CB C 28.153 0.500 1 323 137 37 GLN N N 120.149 0.250 1 324 138 38 THR H H 8.426 0.030 1 325 138 38 THR HA H 4.359 0.030 1 326 138 38 THR HB H 3.915 0.030 1 327 138 38 THR HG2 H 1.288 0.030 1 328 138 38 THR C C 177.594 0.500 1 329 138 38 THR CA C 66.222 0.500 1 330 138 38 THR CB C 68.164 0.500 1 331 138 38 THR CG2 C 22.276 0.500 1 332 138 38 THR N N 118.527 0.250 1 333 139 39 LEU H H 8.737 0.030 1 334 139 39 LEU HA H 4.204 0.030 1 335 139 39 LEU HB2 H 1.941 0.030 2 336 139 39 LEU HB3 H 1.941 0.030 2 337 139 39 LEU HD1 H 0.816 0.030 1 338 139 39 LEU HD2 H 1.082 0.030 1 339 139 39 LEU C C 178.796 0.500 1 340 139 39 LEU CA C 58.856 0.500 1 341 139 39 LEU CB C 42.102 0.500 1 342 139 39 LEU CG C 26.816 0.500 1 343 139 39 LEU CD1 C 26.687 0.500 1 344 139 39 LEU CD2 C 24.540 0.500 1 345 139 39 LEU N N 125.296 0.250 1 346 140 40 LEU H H 8.117 0.030 1 347 140 40 LEU HA H 4.023 0.030 1 348 140 40 LEU HB2 H 1.342 0.030 1 349 140 40 LEU HB3 H 1.490 0.030 1 350 140 40 LEU HG H 1.530 0.030 1 351 140 40 LEU HD1 H 0.547 0.030 1 352 140 40 LEU HD2 H 0.656 0.030 1 353 140 40 LEU CA C 57.715 0.500 1 354 140 40 LEU CB C 41.587 0.500 1 355 140 40 LEU CG C 27.293 0.500 1 356 140 40 LEU CD1 C 23.800 0.500 1 357 140 40 LEU CD2 C 23.920 0.500 1 358 140 40 LEU N N 119.595 0.250 1 359 141 41 THR H H 8.069 0.030 1 360 141 41 THR HA H 4.237 0.030 1 361 141 41 THR HB H 3.978 0.030 1 362 141 41 THR HG2 H 1.175 0.030 1 363 141 41 THR C C 175.841 0.500 1 364 141 41 THR CA C 65.452 0.500 1 365 141 41 THR CB C 69.198 0.500 1 366 141 41 THR CG2 C 19.088 0.500 1 367 141 41 THR N N 111.521 0.250 1 368 142 42 THR H H 7.797 0.030 1 369 142 42 THR HA H 4.035 0.030 1 370 142 42 THR HB H 3.851 0.030 1 371 142 42 THR HG2 H 0.481 0.030 1 372 142 42 THR C C 174.746 0.500 1 373 142 42 THR N N 117.094 0.250 1 374 143 43 PHE H H 8.130 0.030 1 375 143 43 PHE HA H 4.527 0.030 1 376 143 43 PHE HB2 H 3.077 0.030 1 377 143 43 PHE HB3 H 2.785 0.030 1 378 143 43 PHE HD1 H 6.945 0.030 3 379 143 43 PHE HD2 H 6.945 0.030 3 380 143 43 PHE HE1 H 6.710 0.030 3 381 143 43 PHE HE2 H 6.710 0.030 3 382 143 43 PHE HZ H 7.175 0.030 1 383 143 43 PHE C C 177.089 0.500 1 384 143 43 PHE CA C 59.929 0.500 1 385 143 43 PHE CB C 40.537 0.500 1 386 143 43 PHE N N 116.998 0.250 1 387 144 44 GLY H H 8.246 0.030 1 388 144 44 GLY HA2 H 4.329 0.030 1 389 144 44 GLY HA3 H 4.028 0.030 1 390 144 44 GLY C C 173.278 0.500 1 391 144 44 GLY CA C 47.710 0.500 1 392 144 44 GLY N N 108.820 0.250 1 393 145 45 SER H H 7.617 0.030 1 394 145 45 SER HA H 4.476 0.030 1 395 145 45 SER HB2 H 3.806 0.030 2 396 145 45 SER HB3 H 3.806 0.030 2 397 145 45 SER C C 174.660 0.500 1 398 145 45 SER CA C 55.769 0.500 1 399 145 45 SER CB C 66.770 0.500 1 400 145 45 SER N N 111.413 0.250 1 401 146 46 LEU H H 10.440 0.030 1 402 146 46 LEU HA H 4.059 0.030 1 403 146 46 LEU HB2 H 1.546 0.030 1 404 146 46 LEU HB3 H 1.655 0.030 1 405 146 46 LEU HD1 H 0.766 0.030 1 406 146 46 LEU HD2 H 0.828 0.030 1 407 146 46 LEU C C 177.587 0.500 1 408 146 46 LEU CA C 57.554 0.500 1 409 146 46 LEU CB C 40.930 0.500 1 410 146 46 LEU CG C 27.877 0.500 1 411 146 46 LEU CD1 C 25.308 0.500 1 412 146 46 LEU CD2 C 25.422 0.500 1 413 146 46 LEU N N 124.047 0.250 1 414 147 47 GLU H H 7.830 0.030 1 415 147 47 GLU HA H 3.417 0.030 1 416 147 47 GLU HB2 H 1.965 0.030 1 417 147 47 GLU HB3 H 1.778 0.030 1 418 147 47 GLU CA C 60.053 0.500 1 419 147 47 GLU CB C 30.061 0.500 1 420 147 47 GLU CG C 35.602 0.500 1 421 147 47 GLU N N 118.132 0.250 1 422 148 48 GLN H H 7.756 0.030 1 423 148 48 GLN HA H 4.076 0.030 1 424 148 48 GLN HB2 H 2.382 0.030 1 425 148 48 GLN HB3 H 2.267 0.030 1 426 148 48 GLN HE21 H 7.731 0.030 1 427 148 48 GLN HE22 H 6.946 0.030 1 428 148 48 GLN C C 178.185 0.500 1 429 148 48 GLN CA C 58.185 0.500 1 430 148 48 GLN CB C 29.147 0.500 1 431 148 48 GLN N N 117.415 0.250 1 432 148 48 GLN NE2 N 113.698 0.250 1 433 149 49 LEU H H 7.740 0.030 1 434 149 49 LEU HA H 3.243 0.030 1 435 149 49 LEU HB2 H 1.643 0.030 1 436 149 49 LEU HB3 H 1.456 0.030 1 437 149 49 LEU HD1 H 0.638 0.030 0 438 149 49 LEU CA C 58.139 0.500 1 439 149 49 LEU CB C 42.549 0.500 1 440 149 49 LEU CD1 C 26.514 0.500 1 441 149 49 LEU CD2 C 26.514 0.500 1 442 149 49 LEU N N 122.536 0.250 1 443 150 50 ILE H H 8.247 0.030 1 444 150 50 ILE HA H 3.272 0.030 1 445 150 50 ILE HB H 1.707 0.030 1 446 150 50 ILE HG2 H 0.698 0.030 1 447 150 50 ILE HD1 H 0.557 0.030 1 448 150 50 ILE C C 174.829 0.500 1 449 150 50 ILE CA C 64.648 0.500 1 450 150 50 ILE CB C 38.058 0.500 1 451 150 50 ILE CD1 C 14.501 0.500 1 452 150 50 ILE N N 117.625 0.250 1 453 151 51 ALA H H 7.021 0.030 1 454 151 51 ALA HA H 4.197 0.030 1 455 151 51 ALA HB H 1.437 0.030 1 456 151 51 ALA C C 177.362 0.500 1 457 151 51 ALA CA C 52.411 0.500 1 458 151 51 ALA CB C 19.110 0.500 1 459 151 51 ALA N N 118.129 0.250 1 460 152 52 ALA H H 7.024 0.030 1 461 152 52 ALA HA H 4.309 0.030 1 462 152 52 ALA HB H 1.290 0.030 1 463 152 52 ALA C C 177.923 0.500 1 464 152 52 ALA CA C 52.422 0.500 1 465 152 52 ALA CB C 19.867 0.500 1 466 152 52 ALA N N 122.132 0.250 1 467 153 53 SER H H 8.990 0.030 1 468 153 53 SER HA H 4.514 0.030 1 469 153 53 SER HB2 H 4.046 0.030 2 470 153 53 SER HB3 H 4.046 0.030 2 471 153 53 SER CA C 57.031 0.500 1 472 153 53 SER CB C 65.763 0.500 1 473 153 53 SER N N 117.790 0.250 1 474 154 54 ARG H H 8.312 0.030 1 475 154 54 ARG CA C 60.318 0.500 1 476 154 54 ARG CB C 29.886 0.500 1 477 154 54 ARG N N 120.956 0.250 1 478 155 55 GLU H H 8.259 0.030 1 479 155 55 GLU HA H 3.802 0.030 1 480 155 55 GLU HB2 H 1.899 0.030 1 481 155 55 GLU HB3 H 1.854 0.030 1 482 155 55 GLU HG2 H 2.362 0.030 1 483 155 55 GLU HG3 H 2.098 0.030 1 484 155 55 GLU C C 178.348 0.500 1 485 155 55 GLU CA C 59.737 0.500 1 486 155 55 GLU CB C 28.686 0.500 1 487 155 55 GLU CG C 37.353 0.500 1 488 155 55 GLU N N 117.625 0.250 1 489 156 56 ASP H H 7.840 0.030 1 490 156 56 ASP HA H 4.389 0.030 1 491 156 56 ASP HB2 H 3.071 0.030 1 492 156 56 ASP HB3 H 2.693 0.030 1 493 156 56 ASP C C 180.095 0.500 1 494 156 56 ASP CA C 57.181 0.500 1 495 156 56 ASP CB C 40.849 0.500 1 496 156 56 ASP N N 119.944 0.250 1 497 157 57 LEU H H 7.957 0.030 1 498 157 57 LEU HA H 4.072 0.030 1 499 157 57 LEU HB2 H 1.991 0.030 1 500 157 57 LEU HB3 H 1.777 0.030 1 501 157 57 LEU HD1 H 0.577 0.030 1 502 157 57 LEU HD2 H 0.978 0.030 1 503 157 57 LEU C C 178.190 0.500 1 504 157 57 LEU CA C 58.159 0.500 1 505 157 57 LEU CB C 42.782 0.500 1 506 157 57 LEU CD1 C 23.590 0.500 1 507 157 57 LEU CD2 C 26.359 0.500 1 508 157 57 LEU N N 119.282 0.250 1 509 158 58 ALA H H 7.695 0.030 1 510 158 58 ALA HA H 3.774 0.030 1 511 158 58 ALA HB H 1.284 0.030 1 512 158 58 ALA C C 178.487 0.500 1 513 158 58 ALA CA C 54.040 0.500 1 514 158 58 ALA CB C 18.068 0.500 1 515 158 58 ALA N N 117.826 0.250 1 516 159 59 LEU H H 7.305 0.030 1 517 159 59 LEU HA H 4.160 0.030 1 518 159 59 LEU HB2 H 1.833 0.030 1 519 159 59 LEU HB3 H 1.614 0.030 1 520 159 59 LEU HD1 H 0.847 0.030 1 521 159 59 LEU HD2 H 0.909 0.030 1 522 159 59 LEU C C 177.821 0.500 1 523 159 59 LEU CA C 55.004 0.500 1 524 159 59 LEU CB C 42.490 0.500 1 525 159 59 LEU CG C 23.548 0.500 1 526 159 59 LEU CD1 C 26.409 0.500 1 527 159 59 LEU CD2 C 24.755 0.500 1 528 159 59 LEU N N 117.060 0.250 1 529 160 60 CYS H H 7.592 0.030 1 530 160 60 CYS HA H 4.471 0.030 1 531 160 60 CYS HB2 H 2.960 0.030 2 532 160 60 CYS HB3 H 2.960 0.030 2 533 160 60 CYS CA C 58.321 0.500 1 534 160 60 CYS CB C 27.199 0.500 1 535 160 60 CYS N N 122.462 0.250 1 536 161 61 PRO HA H 4.188 0.030 1 537 161 61 PRO HB2 H 2.209 0.030 1 538 161 61 PRO HB3 H 1.885 0.030 1 539 161 61 PRO HG2 H 1.986 0.030 2 540 161 61 PRO HG3 H 1.986 0.030 2 541 161 61 PRO HD2 H 3.657 0.030 2 542 161 61 PRO HD3 H 3.657 0.030 2 543 161 61 PRO C C 177.168 0.500 1 544 161 61 PRO CA C 64.666 0.500 1 545 161 61 PRO CB C 31.748 0.500 1 546 161 61 PRO CG C 27.504 0.500 1 547 161 61 PRO CD C 50.724 0.500 1 548 162 62 GLY H H 8.551 0.030 1 549 162 62 GLY HA2 H 4.186 0.030 1 550 162 62 GLY HA3 H 4.221 0.030 1 551 162 62 GLY C C 174.177 0.500 1 552 162 62 GLY CA C 45.774 0.500 1 553 162 62 GLY N N 110.925 0.250 1 554 163 63 LEU H H 7.675 0.030 1 555 163 63 LEU HA H 4.360 0.030 1 556 163 63 LEU HB2 H 1.846 0.030 1 557 163 63 LEU HB3 H 1.873 0.030 1 558 163 63 LEU HG H 1.805 0.030 1 559 163 63 LEU HD1 H 0.840 0.030 0 560 163 63 LEU C C 177.616 0.500 1 561 163 63 LEU CA C 56.159 0.500 1 562 163 63 LEU CB C 41.641 0.500 1 563 163 63 LEU CG C 27.786 0.500 1 564 163 63 LEU CD1 C 24.464 0.500 1 565 163 63 LEU CD2 C 24.464 0.500 1 566 163 63 LEU N N 123.768 0.250 1 567 164 64 GLY H H 8.073 0.030 1 568 164 64 GLY HA2 H 4.335 0.030 1 569 164 64 GLY HA3 H 4.026 0.030 1 570 164 64 GLY CA C 44.709 0.500 1 571 164 64 GLY N N 106.263 0.250 1 572 165 65 PRO HD2 H 3.776 0.030 1 573 165 65 PRO HD3 H 3.659 0.030 1 574 167 67 LYS H H 8.462 0.030 1 575 167 67 LYS HA H 3.746 0.030 1 576 167 67 LYS HB2 H 1.638 0.030 1 577 167 67 LYS HB3 H 1.433 0.030 1 578 167 67 LYS HG2 H 1.221 0.030 2 579 167 67 LYS HG3 H 1.221 0.030 2 580 167 67 LYS HE2 H 2.964 0.030 2 581 167 67 LYS HE3 H 2.964 0.030 2 582 167 67 LYS C C 178.245 0.500 1 583 167 67 LYS CA C 60.047 0.500 1 584 167 67 LYS CB C 33.385 0.500 1 585 167 67 LYS CG C 25.113 0.500 1 586 167 67 LYS CD C 29.215 0.500 1 587 167 67 LYS CE C 41.960 0.500 1 588 167 67 LYS N N 120.322 0.250 1 589 168 68 ALA H H 7.644 0.030 1 590 168 68 ALA HA H 3.776 0.030 1 591 168 68 ALA HB H 1.381 0.030 1 592 168 68 ALA C C 178.720 0.500 1 593 168 68 ALA CA C 55.606 0.500 1 594 168 68 ALA CB C 19.419 0.500 1 595 168 68 ALA N N 117.602 0.250 1 596 169 69 ARG H H 7.564 0.030 1 597 169 69 ARG HA H 4.004 0.030 1 598 169 69 ARG HB2 H 1.937 0.030 2 599 169 69 ARG HB3 H 1.937 0.030 2 600 169 69 ARG C C 176.404 0.500 1 601 169 69 ARG CA C 59.583 0.500 1 602 169 69 ARG CB C 29.657 0.500 1 603 169 69 ARG CD C 43.303 0.500 1 604 169 69 ARG N N 116.758 0.250 1 605 170 70 ARG H H 7.556 0.030 1 606 170 70 ARG HA H 4.116 0.030 1 607 170 70 ARG HB2 H 1.831 0.030 2 608 170 70 ARG HB3 H 1.831 0.030 2 609 170 70 ARG C C 179.226 0.500 1 610 170 70 ARG CA C 59.321 0.500 1 611 170 70 ARG CB C 30.286 0.500 1 612 170 70 ARG CD C 43.863 0.500 1 613 170 70 ARG N N 117.109 0.250 1 614 171 71 LEU H H 8.206 0.030 1 615 171 71 LEU HA H 4.013 0.030 1 616 171 71 LEU HB2 H 1.455 0.030 1 617 171 71 LEU HB3 H 1.718 0.030 1 618 171 71 LEU HD1 H 0.896 0.030 0 619 171 71 LEU C C 176.670 0.500 1 620 171 71 LEU CA C 57.960 0.500 1 621 171 71 LEU CB C 42.241 0.500 1 622 171 71 LEU CG C 26.558 0.500 1 623 171 71 LEU CD1 C 24.403 0.500 1 624 171 71 LEU CD2 C 24.403 0.500 1 625 171 71 LEU N N 119.163 0.250 1 626 172 72 PHE H H 8.543 0.030 1 627 172 72 PHE HA H 3.753 0.030 1 628 172 72 PHE HB2 H 3.110 0.030 1 629 172 72 PHE HB3 H 2.997 0.030 1 630 172 72 PHE HD1 H 6.976 0.030 3 631 172 72 PHE HD2 H 6.976 0.030 3 632 172 72 PHE HE1 H 7.301 0.030 3 633 172 72 PHE HE2 H 7.301 0.030 3 634 172 72 PHE HZ H 7.424 0.030 1 635 172 72 PHE C C 179.061 0.500 1 636 172 72 PHE CA C 63.092 0.500 1 637 172 72 PHE CB C 39.545 0.500 1 638 172 72 PHE N N 118.814 0.250 1 639 173 73 ASP H H 8.635 0.030 1 640 173 73 ASP HA H 4.515 0.030 1 641 173 73 ASP HB2 H 2.857 0.030 1 642 173 73 ASP HB3 H 2.653 0.030 1 643 173 73 ASP C C 178.883 0.500 1 644 173 73 ASP CA C 57.743 0.500 1 645 173 73 ASP CB C 39.511 0.500 1 646 173 73 ASP N N 119.357 0.250 1 647 174 74 VAL H H 7.758 0.030 1 648 174 74 VAL HA H 3.554 0.030 1 649 174 74 VAL HB H 1.986 0.030 1 650 174 74 VAL HG1 H 0.646 0.030 1 651 174 74 VAL HG2 H 1.010 0.030 1 652 174 74 VAL C C 175.947 0.500 1 653 174 74 VAL CA C 66.977 0.500 1 654 174 74 VAL CB C 31.072 0.500 1 655 174 74 VAL CG1 C 21.205 0.500 1 656 174 74 VAL CG2 C 24.362 0.500 1 657 174 74 VAL N N 121.073 0.250 1 658 175 75 LEU H H 7.069 0.030 1 659 175 75 LEU HA H 3.512 0.030 1 660 175 75 LEU HB2 H 1.627 0.030 1 661 175 75 LEU HB3 H 1.332 0.030 1 662 175 75 LEU HG H 1.627 0.030 1 663 175 75 LEU HD1 H -0.042 0.030 1 664 175 75 LEU HD2 H 0.424 0.030 1 665 175 75 LEU C C 175.159 0.500 1 666 175 75 LEU CA C 55.712 0.500 1 667 175 75 LEU CB C 42.527 0.500 1 668 175 75 LEU CD1 C 21.562 0.500 1 669 175 75 LEU CD2 C 25.447 0.500 1 670 175 75 LEU N N 114.032 0.250 1 671 176 76 HIS H H 7.234 0.030 1 672 176 76 HIS HA H 4.336 0.030 1 673 176 76 HIS HB2 H 3.068 0.030 1 674 176 76 HIS HB3 H 2.383 0.030 1 675 176 76 HIS HD2 H 8.821 0.030 1 676 176 76 HIS HE1 H 6.739 0.030 1 677 176 76 HIS C C 175.168 0.500 1 678 176 76 HIS CA C 56.064 0.500 1 679 176 76 HIS CB C 30.068 0.500 1 680 176 76 HIS N N 110.270 0.250 1 681 177 77 GLU H H 8.672 0.030 1 682 177 77 GLU HA H 4.408 0.030 1 683 177 77 GLU HB2 H 1.848 0.030 1 684 177 77 GLU HB3 H 2.100 0.030 1 685 177 77 GLU HG2 H 2.363 0.030 2 686 177 77 GLU HG3 H 2.363 0.030 2 687 177 77 GLU CA C 55.432 0.500 1 688 177 77 GLU CB C 29.547 0.500 1 689 177 77 GLU CG C 37.012 0.500 1 690 177 77 GLU N N 126.314 0.250 1 691 179 79 PHE H H 7.819 0.030 1 692 179 79 PHE HA H 4.472 0.030 1 693 179 79 PHE HB2 H 3.041 0.030 2 694 179 79 PHE HB3 H 3.041 0.030 2 695 179 79 PHE C C 177.217 0.500 1 696 179 79 PHE CA C 61.531 0.500 1 697 179 79 PHE CB C 40.466 0.500 1 698 179 79 PHE N N 117.482 0.250 1 699 180 80 LEU H H 8.090 0.030 1 700 180 80 LEU HA H 4.682 0.030 1 701 180 80 LEU HB2 H 1.569 0.030 1 702 180 80 LEU HB3 H 1.667 0.030 1 703 180 80 LEU HD1 H 0.797 0.030 1 704 180 80 LEU HD2 H 0.623 0.030 1 705 180 80 LEU C C 176.530 0.500 1 706 180 80 LEU CA C 54.034 0.500 1 707 180 80 LEU CB C 42.372 0.500 1 708 180 80 LEU CG C 27.454 0.500 1 709 180 80 LEU CD1 C 25.566 0.500 1 710 180 80 LEU CD2 C 23.782 0.500 1 711 180 80 LEU N N 116.784 0.250 1 712 181 81 LYS H H 8.068 0.030 1 713 181 81 LYS HA H 4.149 0.030 1 714 181 81 LYS HB2 H 1.792 0.030 1 715 181 81 LYS HB3 H 1.680 0.030 1 716 181 81 LYS HG2 H 1.652 0.030 1 717 181 81 LYS HG3 H 1.385 0.030 1 718 181 81 LYS HE2 H 2.964 0.030 2 719 181 81 LYS HE3 H 2.964 0.030 2 720 181 81 LYS C C 176.336 0.500 1 721 181 81 LYS CA C 54.677 0.500 1 722 181 81 LYS CB C 33.335 0.500 1 723 181 81 LYS CG C 25.113 0.500 1 724 181 81 LYS CD C 29.233 0.500 1 725 181 81 LYS N N 122.245 0.250 1 726 182 82 VAL H H 7.995 0.030 1 727 182 82 VAL HA H 4.418 0.030 1 728 182 82 VAL HB H 2.098 0.030 1 729 182 82 VAL HG1 H 0.926 0.030 1 730 182 82 VAL HG2 H 0.985 0.030 1 731 182 82 VAL CA C 59.469 0.500 1 732 182 82 VAL CB C 32.533 0.500 1 733 182 82 VAL CG1 C 20.204 0.500 1 734 182 82 VAL CG2 C 21.322 0.500 1 735 182 82 VAL N N 122.890 0.250 1 stop_ save_