data_25232 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the F231L mutant ERCC1-XPF dimerization region ; _BMRB_accession_number 25232 _BMRB_flat_file_name bmr25232.str _Entry_type original _Submission_date 2014-09-17 _Accession_date 2014-09-17 _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 Faridounnia Maryam . . 2 Wienk Hans . . 3 Kovacic Lidija . . 4 Folkers Gert E. . 5 Jaspers Nicolaas GJ . 6 Kaptein Robert . . 7 Hoeijmakers Jan HJ . 8 Boelens Rolf . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 971 "13C chemical shifts" 695 "15N chemical shifts" 172 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2015-06-22 original BMRB . stop_ _Original_release_date 2015-06-22 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; The Cerebro-Oculo-Facio-Skeletal (COFS) Syndrome point mutation F231L in the ERCC1 DNA repair protein causes dissociation of the ERCC1-XPF complex ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 26085086 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Faridounnia Maryam . . 2 Wienk Hans . . 3 Kovacic Lidija . . 4 Folkers Gert E. . 5 Jaspers Nicolaas GJ. . 6 Boelens Rolf . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year 2015 _Details . save_ ####################################### # Cited references within the entry # ####################################### save_citation_1 _Saveframe_category citation _Citation_full . _Citation_title ; The ERCC1 mutation F231L causes dissociation of the Nucleotide Excision Repair complex ERCC1-XPF ; _Citation_status 'in preparation' _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 Faridounnia Maryam . . 2 Wienk Hans . . 3 Kovacic Lidija . . 4 Folkers Gert E. . 5 Jaspers Nicolaas GJ. . 6 Kaptein Robert . . 7 Hoeijmakers Jan HJ. . 8 Boelens Rolf . . stop_ _Journal_abbreviation 'Not known' _Journal_name_full . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'F231L mutant ERCC1-XPF dimerization region' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 entity_2 $entity_2 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 10985.764 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 96 _Mol_residue_sequence ; RIRRRYNMADLLMEKLEQDL VSRVTECLTTVKSVNKTDSQ TLLTTFGSLEQLIAASREDL ALCPGLGPQKARRLFDVLHE PFLKVPGGLEHHHHHH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 212 ARG 2 213 ILE 3 214 ARG 4 215 ARG 5 216 ARG 6 217 TYR 7 218 ASN 8 219 MET 9 220 ALA 10 221 ASP 11 222 LEU 12 223 LEU 13 224 MET 14 225 GLU 15 226 LYS 16 227 LEU 17 228 GLU 18 229 GLN 19 230 ASP 20 231 LEU 21 232 VAL 22 233 SER 23 234 ARG 24 235 VAL 25 236 THR 26 237 GLU 27 238 CYS 28 239 LEU 29 240 THR 30 241 THR 31 242 VAL 32 243 LYS 33 244 SER 34 245 VAL 35 246 ASN 36 247 LYS 37 248 THR 38 249 ASP 39 250 SER 40 251 GLN 41 252 THR 42 253 LEU 43 254 LEU 44 255 THR 45 256 THR 46 257 PHE 47 258 GLY 48 259 SER 49 260 LEU 50 261 GLU 51 262 GLN 52 263 LEU 53 264 ILE 54 265 ALA 55 266 ALA 56 267 SER 57 268 ARG 58 269 GLU 59 270 ASP 60 271 LEU 61 272 ALA 62 273 LEU 63 274 CYS 64 275 PRO 65 276 GLY 66 277 LEU 67 278 GLY 68 279 PRO 69 280 GLN 70 281 LYS 71 282 ALA 72 283 ARG 73 284 ARG 74 285 LEU 75 286 PHE 76 287 ASP 77 288 VAL 78 289 LEU 79 290 HIS 80 291 GLU 81 292 PRO 82 293 PHE 83 294 LEU 84 295 LYS 85 296 VAL 86 297 PRO 87 298 GLY 88 299 GLY 89 300 LEU 90 301 GLU 91 302 HIS 92 . HIS 93 . HIS 94 . HIS 95 . HIS 96 . HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-15 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" 92.71 89 98.88 98.88 5.71e-56 PDB 2A1J "Crystal Structure Of The Complex Between The C-Terminal Domains Of Human Xpf And Ercc1" 80.21 91 98.70 98.70 4.31e-45 PDB 2MUT "Solution Structure Of The F231l Mutant Ercc1-xpf Dimerization Region" 100.00 96 100.00 100.00 1.26e-62 DBJ BAG37398 "unnamed protein product [Homo sapiens]" 81.25 297 98.72 98.72 2.12e-44 DBJ BAG52472 "unnamed protein product [Homo sapiens]" 81.25 225 98.72 98.72 1.21e-44 GB AAA35810 "excision repair protein [Homo sapiens]" 81.25 297 98.72 98.72 2.22e-44 GB AAA52394 "excision repair protein [Homo sapiens]" 81.25 297 98.72 98.72 2.22e-44 GB AAC16253 "excision repair protein [Homo sapiens]" 81.25 297 98.72 98.72 2.22e-44 GB AAH08930 "Excision repair cross-complementing rodent repair deficiency, complementation group 1 (includes overlapping antisense sequence)" 81.25 297 98.72 98.72 2.22e-44 GB AAM34796 "excision repair cross-complementing rodent repair deficiency, complementation group 1 (includes overlapping antisense sequence)" 81.25 297 98.72 98.72 2.22e-44 PRF 1403276A "DNA repair gene" 81.25 297 98.72 98.72 2.22e-44 REF NP_001181860 "DNA excision repair protein ERCC-1 [Pan troglodytes]" 81.25 297 98.72 98.72 2.22e-44 REF NP_001974 "DNA excision repair protein ERCC-1 isoform 2 [Homo sapiens]" 81.25 297 98.72 98.72 2.22e-44 REF XP_003817569 "PREDICTED: DNA excision repair protein ERCC-1 isoform X2 [Pan paniscus]" 81.25 297 98.72 98.72 2.22e-44 REF XP_003915760 "PREDICTED: DNA excision repair protein ERCC-1 isoform X2 [Papio anubis]" 82.29 391 98.73 98.73 2.40e-44 REF XP_003915761 "PREDICTED: DNA excision repair protein ERCC-1 isoform X4 [Papio anubis]" 82.29 319 98.73 98.73 1.39e-44 SP P07992 "RecName: Full=DNA excision repair protein ERCC-1" 81.25 297 98.72 98.72 2.22e-44 stop_ save_ save_entity_2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_2 _Molecular_mass 9230.592 _Mol_thiol_state . _Details . _Residue_count 84 _Mol_residue_sequence ; MDSETLPESEKYNPGPQDFL LKMPGVNAKNCRSLMHHVKN IAELAALSQDELTSILGNAA NAKQLYDFIHTSFAEVVSKG KGKK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 . MET 2 823 ASP 3 824 SER 4 825 GLU 5 826 THR 6 827 LEU 7 828 PRO 8 829 GLU 9 830 SER 10 831 GLU 11 832 LYS 12 833 TYR 13 834 ASN 14 835 PRO 15 836 GLY 16 837 PRO 17 838 GLN 18 839 ASP 19 840 PHE 20 841 LEU 21 842 LEU 22 843 LYS 23 844 MET 24 845 PRO 25 846 GLY 26 847 VAL 27 848 ASN 28 849 ALA 29 850 LYS 30 851 ASN 31 852 CYS 32 853 ARG 33 854 SER 34 855 LEU 35 856 MET 36 857 HIS 37 858 HIS 38 859 VAL 39 860 LYS 40 861 ASN 41 862 ILE 42 863 ALA 43 864 GLU 44 865 LEU 45 866 ALA 46 867 ALA 47 868 LEU 48 869 SER 49 870 GLN 50 871 ASP 51 872 GLU 52 873 LEU 53 874 THR 54 875 SER 55 876 ILE 56 877 LEU 57 878 GLY 58 879 ASN 59 880 ALA 60 881 ALA 61 882 ASN 62 883 ALA 63 884 LYS 64 885 GLN 65 886 LEU 66 887 TYR 67 888 ASP 68 889 PHE 69 890 ILE 70 891 HIS 71 892 THR 72 893 SER 73 894 PHE 74 895 ALA 75 896 GLU 76 897 VAL 77 898 VAL 78 899 SER 79 900 LYS 80 901 GLY 81 902 LYS 82 903 GLY 83 904 LYS 84 905 LYS 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 $entity_1 Human 9606 Eukaryota Metazoa Homo sapiens $entity_2 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 $entity_1 'recombinant technology' . Escherichia coli BL21 pET28B $entity_2 'recombinant technology' . Escherichia coli BL21 pET28B 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 _Isotopic_labeling $entity_1 0.4 mM '[U-100% 13C; U-100% 15N]' $entity_2 0.4 mM '[U-100% 13C; U-100% 15N]' D2O 8 % 'natural abundance' H2O 92 % 'natural abundance' 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_CNS _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_CING _Saveframe_category software _Name CING _Version . loop_ _Vendor _Address _Electronic_address 'Doreleijers et al' . . stop_ loop_ _Task validation stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details '+ cryoprobe' save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 750 _Details . save_ save_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details '+ cryoprobe' save_ ############################# # NMR applied experiments # ############################# save_2D_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D HSQC' _Sample_label $sample_1 save_ save_triple_resonance_2 _Saveframe_category NMR_applied_experiment _Experiment_name 'triple resonance' _Sample_label $sample_1 save_ save_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name NOESY _Sample_label $sample_1 save_ save_2D_HSQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D HSQC' _Sample_label $sample_1 save_ save_2D_HSQC_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D HSQC' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 250 . mM pH 7.0 . pH pressure 1 . atm temperature 290 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_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 DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D HSQC' 'triple resonance' NOESY stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name entity_1 _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 1 212 1 ARG HA H 4.449 . . 2 212 1 ARG HB2 H 1.835 . . 3 212 1 ARG HB3 H 1.835 . . 4 212 1 ARG CA C 56.092 . . 5 212 1 ARG CB C 30.876 . . 6 213 2 ILE H H 8.501 . . 7 213 2 ILE HA H 4.174 . . 8 213 2 ILE HB H 1.851 . . 9 213 2 ILE HG12 H 1.514 . . 10 213 2 ILE HG13 H 1.514 . . 11 213 2 ILE HG2 H 1.218 . . 12 213 2 ILE HD1 H 0.887 . . 13 213 2 ILE C C 175.933 . . 14 213 2 ILE CA C 60.955 . . 15 213 2 ILE CB C 38.605 . . 16 213 2 ILE CG1 C 27.398 . . 17 213 2 ILE CG2 C 27.272 . . 18 213 2 ILE N N 123.936 . . 19 214 3 ARG H H 8.578 . . 20 214 3 ARG HA H 4.421 . . 21 214 3 ARG HB2 H 1.814 . . 22 214 3 ARG HB3 H 1.814 . . 23 214 3 ARG HG2 H 1.672 . . 24 214 3 ARG HG3 H 1.618 . . 25 214 3 ARG HD2 H 3.212 . . 26 214 3 ARG HD3 H 3.212 . . 27 214 3 ARG C C 175.884 . . 28 214 3 ARG CA C 55.888 . . 29 214 3 ARG CB C 30.889 . . 30 214 3 ARG CG C 27.092 . . 31 214 3 ARG CD C 43.358 . . 32 214 3 ARG N N 126.456 . . 33 215 4 ARG H H 8.566 . . 34 215 4 ARG HA H 4.314 . . 35 215 4 ARG HB2 H 1.752 . . 36 215 4 ARG HB3 H 1.752 . . 37 215 4 ARG HG2 H 1.639 . . 38 215 4 ARG HG3 H 1.639 . . 39 215 4 ARG HD2 H 3.179 . . 40 215 4 ARG HD3 H 3.179 . . 41 215 4 ARG C C 175.825 . . 42 215 4 ARG CA C 55.983 . . 43 215 4 ARG CB C 30.933 . . 44 215 4 ARG CD C 43.406 . . 45 215 4 ARG N N 123.448 . . 46 216 5 ARG H H 8.487 . . 47 216 5 ARG HA H 4.373 . . 48 216 5 ARG HB2 H 1.786 . . 49 216 5 ARG HB3 H 1.786 . . 50 216 5 ARG C C 175.759 . . 51 216 5 ARG CA C 55.992 . . 52 216 5 ARG CB C 30.981 . . 53 216 5 ARG N N 122.366 . . 54 217 6 TYR H H 8.400 . . 55 217 6 TYR HA H 4.625 . . 56 217 6 TYR HB2 H 3.088 . . 57 217 6 TYR HB3 H 3.088 . . 58 217 6 TYR C C 175.276 . . 59 217 6 TYR CA C 57.594 . . 60 217 6 TYR CB C 39.016 . . 61 217 6 TYR N N 121.206 . . 62 218 7 ASN H H 8.596 . . 63 218 7 ASN HA H 4.754 . . 64 218 7 ASN HB2 H 2.888 . . 65 218 7 ASN HB3 H 2.809 . . 66 218 7 ASN C C 175.283 . . 67 218 7 ASN CA C 52.790 . . 68 218 7 ASN CB C 38.963 . . 69 218 7 ASN N N 120.537 . . 70 219 8 MET H H 8.497 . . 71 219 8 MET HA H 4.340 . . 72 219 8 MET HB2 H 2.127 . . 73 219 8 MET HB3 H 2.127 . . 74 219 8 MET HG2 H 2.434 . . 75 219 8 MET HG3 H 2.434 . . 76 219 8 MET C C 176.606 . . 77 219 8 MET CA C 56.627 . . 78 219 8 MET CB C 32.148 . . 79 219 8 MET CG C 34.130 . . 80 219 8 MET N N 121.169 . . 81 220 9 ALA H H 8.360 . . 82 220 9 ALA HA H 4.238 . . 83 220 9 ALA HB H 1.438 . . 84 220 9 ALA C C 178.397 . . 85 220 9 ALA CA C 53.666 . . 86 220 9 ALA CB C 18.820 . . 87 220 9 ALA N N 122.833 . . 88 221 10 ASP H H 8.148 . . 89 221 10 ASP HA H 4.539 . . 90 221 10 ASP HB2 H 2.740 . . 91 221 10 ASP HB3 H 2.716 . . 92 221 10 ASP C C 177.103 . . 93 221 10 ASP CA C 55.298 . . 94 221 10 ASP CB C 40.841 . . 95 221 10 ASP N N 118.716 . . 96 222 11 LEU H H 8.061 . . 97 222 11 LEU HA H 4.274 . . 98 222 11 LEU HB2 H 1.623 . . 99 222 11 LEU HB3 H 1.623 . . 100 222 11 LEU C C 178.323 . . 101 222 11 LEU CA C 56.407 . . 102 222 11 LEU CB C 41.914 . . 103 222 11 LEU CD1 C 21.265 . . 104 222 11 LEU CD2 C 21.265 . . 105 222 11 LEU N N 121.512 . . 106 223 12 LEU H H 8.125 . . 107 223 12 LEU HA H 4.289 . . 108 223 12 LEU HB2 H 1.790 . . 109 223 12 LEU HB3 H 1.702 . . 110 223 12 LEU C C 178.216 . . 111 223 12 LEU CA C 56.268 . . 112 223 12 LEU CB C 41.785 . . 113 223 12 LEU N N 120.847 . . 114 224 13 MET H H 8.120 . . 115 224 13 MET C C 177.185 . . 116 224 13 MET CA C 56.521 . . 117 224 13 MET CB C 33.235 . . 118 224 13 MET N N 119.639 . . 119 225 14 GLU H H 8.439 . . 120 225 14 GLU HA H 4.258 . . 121 225 14 GLU HB2 H 2.101 . . 122 225 14 GLU HB3 H 2.008 . . 123 225 14 GLU HG2 H 2.318 . . 124 225 14 GLU HG3 H 2.318 . . 125 225 14 GLU CA C 57.389 . . 126 225 14 GLU CB C 29.980 . . 127 225 14 GLU CG C 32.051 . . 128 225 14 GLU N N 121.352 . . 129 226 15 LYS H H 8.296 . . 130 226 15 LYS HA H 4.339 . . 131 226 15 LYS HB2 H 1.887 . . 132 226 15 LYS HB3 H 1.914 . . 133 226 15 LYS HG2 H 1.494 . . 134 226 15 LYS HG3 H 1.466 . . 135 226 15 LYS HD2 H 1.727 . . 136 226 15 LYS HD3 H 1.727 . . 137 226 15 LYS C C 176.938 . . 138 226 15 LYS CA C 57.020 . . 139 226 15 LYS CB C 32.695 . . 140 226 15 LYS CD C 29.245 . . 141 226 15 LYS N N 121.603 . . 142 227 16 LEU H H 8.272 . . 143 227 16 LEU HA H 4.341 . . 144 227 16 LEU HB2 H 1.761 . . 145 227 16 LEU HG H 1.639 . . 146 227 16 LEU HD1 H 0.925 . . 147 227 16 LEU HD2 H 0.948 . . 148 227 16 LEU C C 178.318 . . 149 227 16 LEU CA C 56.151 . . 150 227 16 LEU CB C 42.171 . . 151 227 16 LEU CG C 27.044 . . 152 227 16 LEU CD1 C 24.723 . . 153 227 16 LEU CD2 C 23.611 . . 154 227 16 LEU N N 122.519 . . 155 228 17 GLU H H 8.341 . . 156 228 17 GLU HA H 4.078 . . 157 228 17 GLU HB2 H 2.103 . . 158 228 17 GLU HB3 H 2.004 . . 159 228 17 GLU HG2 H 2.291 . . 160 228 17 GLU HG3 H 2.244 . . 161 228 17 GLU C C 178.315 . . 162 228 17 GLU CA C 57.718 . . 163 228 17 GLU CB C 30.110 . . 164 228 17 GLU CG C 36.369 . . 165 228 17 GLU N N 120.802 . . 166 229 18 GLN H H 8.516 . . 167 229 18 GLN HA H 4.265 . . 168 229 18 GLN HB2 H 2.127 . . 169 229 18 GLN HB3 H 2.137 . . 170 229 18 GLN HG2 H 2.490 . . 171 229 18 GLN HG3 H 2.459 . . 172 229 18 GLN HE21 H 6.987 . . 173 229 18 GLN HE22 H 7.654 . . 174 229 18 GLN CA C 57.280 . . 175 229 18 GLN CB C 29.470 . . 176 229 18 GLN CG C 34.034 . . 177 229 18 GLN N N 120.935 . . 178 229 18 GLN NE2 N 112.343 . . 179 230 19 ASP H H 8.194 . . 180 230 19 ASP HA H 4.606 . . 181 230 19 ASP HB2 H 3.006 . . 182 230 19 ASP HB3 H 3.077 . . 183 230 19 ASP CA C 55.923 . . 184 230 19 ASP N N 118.703 . . 185 231 20 LEU H H 8.306 . . 186 231 20 LEU HA H 4.318 . . 187 231 20 LEU HB2 H 1.918 . . 188 231 20 LEU HB3 H 2.014 . . 189 231 20 LEU HD1 H 1.077 . . 190 231 20 LEU HD2 H 0.729 . . 191 231 20 LEU CA C 58.827 . . 192 231 20 LEU CB C 42.389 . . 193 231 20 LEU CD1 C 25.856 . . 194 231 20 LEU CD2 C 24.528 . . 195 232 21 VAL H H 8.179 . . 196 232 21 VAL HA H 3.288 . . 197 232 21 VAL HB H 2.102 . . 198 232 21 VAL HG1 H 0.891 . . 199 232 21 VAL HG2 H 0.809 . . 200 232 21 VAL C C 179.588 . . 201 232 21 VAL CA C 66.798 . . 202 232 21 VAL CB C 31.123 . . 203 232 21 VAL CG1 C 23.033 . . 204 232 21 VAL CG2 C 20.993 . . 205 232 21 VAL N N 117.552 . . 206 233 22 SER H H 8.404 . . 207 233 22 SER HA H 4.062 . . 208 233 22 SER HB2 H 4.298 . . 209 233 22 SER HB3 H 4.230 . . 210 233 22 SER CA C 57.294 . . 211 233 22 SER CB C 62.341 . . 212 233 22 SER N N 118.690 . . 213 234 23 ARG H H 8.311 . . 214 234 23 ARG HA H 4.305 . . 215 234 23 ARG HB2 H 2.095 . . 216 234 23 ARG HB3 H 2.095 . . 217 234 23 ARG HG2 H 1.783 . . 218 234 23 ARG HG3 H 1.783 . . 219 234 23 ARG HD2 H 3.233 . . 220 234 23 ARG HD3 H 3.233 . . 221 234 23 ARG C C 179.906 . . 222 234 23 ARG CA C 58.256 . . 223 234 23 ARG CB C 29.983 . . 224 234 23 ARG CD C 42.588 . . 225 234 23 ARG N N 121.871 . . 226 235 24 VAL H H 9.125 . . 227 235 24 VAL HA H 3.836 . . 228 235 24 VAL HB H 2.141 . . 229 235 24 VAL HG1 H 0.921 . . 230 235 24 VAL HG2 H 0.884 . . 231 235 24 VAL C C 178.328 . . 232 235 24 VAL CA C 67.740 . . 233 235 24 VAL CB C 31.402 . . 234 235 24 VAL CG1 C 23.716 . . 235 235 24 VAL CG2 C 22.391 . . 236 235 24 VAL N N 122.011 . . 237 236 25 THR H H 8.283 . . 238 236 25 THR HA H 3.885 . . 239 236 25 THR HB H 4.407 . . 240 236 25 THR HG2 H 1.283 . . 241 236 25 THR C C 175.954 . . 242 236 25 THR CA C 67.753 . . 243 236 25 THR CB C 68.266 . . 244 236 25 THR CG2 C 24.677 . . 245 236 25 THR N N 117.768 . . 246 237 26 GLU H H 8.063 . . 247 237 26 GLU HA H 3.926 . . 248 237 26 GLU HB2 H 2.241 . . 249 237 26 GLU HB3 H 2.152 . . 250 237 26 GLU HG2 H 2.438 . . 251 237 26 GLU HG3 H 2.438 . . 252 237 26 GLU C C 178.530 . . 253 237 26 GLU CA C 59.641 . . 254 237 26 GLU CB C 29.328 . . 255 237 26 GLU CG C 36.621 . . 256 237 26 GLU N N 121.497 . . 257 238 27 CYS H H 7.445 . . 258 238 27 CYS HA H 3.668 . . 259 238 27 CYS HB2 H 2.647 . . 260 238 27 CYS HB3 H 1.255 . . 261 238 27 CYS C C 176.940 . . 262 238 27 CYS CA C 63.692 . . 263 238 27 CYS CB C 25.734 . . 264 238 27 CYS N N 115.392 . . 265 239 28 LEU H H 8.436 . . 266 239 28 LEU HA H 4.031 . . 267 239 28 LEU HB2 H 1.917 . . 268 239 28 LEU HB3 H 1.327 . . 269 239 28 LEU HG H 1.902 . . 270 239 28 LEU HD1 H 0.970 . . 271 239 28 LEU HD2 H 0.920 . . 272 239 28 LEU C C 177.743 . . 273 239 28 LEU CA C 58.748 . . 274 239 28 LEU CB C 41.639 . . 275 239 28 LEU CG C 26.983 . . 276 239 28 LEU CD1 C 26.179 . . 277 239 28 LEU CD2 C 22.961 . . 278 239 28 LEU N N 120.825 . . 279 240 29 THR H H 8.104 . . 280 240 29 THR HA H 4.392 . . 281 240 29 THR HB H 4.631 . . 282 240 29 THR HG2 H 1.188 . . 283 240 29 THR C C 176.271 . . 284 240 29 THR CA C 63.086 . . 285 240 29 THR CB C 68.947 . . 286 240 29 THR CG2 C 20.845 . . 287 240 29 THR N N 103.045 . . 288 241 30 THR H H 7.548 . . 289 241 30 THR HA H 4.280 . . 290 241 30 THR HB H 4.342 . . 291 241 30 THR HG2 H 1.448 . . 292 241 30 THR C C 175.165 . . 293 241 30 THR CA C 64.388 . . 294 241 30 THR CB C 70.189 . . 295 241 30 THR CG2 C 21.233 . . 296 241 30 THR N N 112.096 . . 297 242 31 VAL H H 7.697 . . 298 242 31 VAL HA H 3.975 . . 299 242 31 VAL HB H 2.437 . . 300 242 31 VAL HG1 H 1.232 . . 301 242 31 VAL HG2 H 0.917 . . 302 242 31 VAL C C 175.733 . . 303 242 31 VAL CA C 62.642 . . 304 242 31 VAL CB C 30.538 . . 305 242 31 VAL CG1 C 22.025 . . 306 242 31 VAL CG2 C 21.837 . . 307 242 31 VAL N N 124.601 . . 308 243 32 LYS H H 8.505 . . 309 243 32 LYS HA H 4.035 . . 310 243 32 LYS HB2 H 1.865 . . 311 243 32 LYS HB3 H 1.581 . . 312 243 32 LYS HG2 H 1.496 . . 313 243 32 LYS HG3 H 1.496 . . 314 243 32 LYS HE2 H 3.028 . . 315 243 32 LYS HE3 H 3.028 . . 316 243 32 LYS C C 177.865 . . 317 243 32 LYS CA C 58.658 . . 318 243 32 LYS CB C 32.251 . . 319 243 32 LYS CG C 24.692 . . 320 243 32 LYS CE C 41.873 . . 321 243 32 LYS N N 128.545 . . 322 244 33 SER H H 8.803 . . 323 244 33 SER HA H 4.128 . . 324 244 33 SER HB2 H 3.969 . . 325 244 33 SER HB3 H 3.969 . . 326 244 33 SER CA C 61.614 . . 327 244 33 SER CB C 63.744 . . 328 244 33 SER N N 119.187 . . 329 245 34 VAL H H 8.309 . . 330 245 34 VAL HA H 4.293 . . 331 245 34 VAL HB H 2.530 . . 332 245 34 VAL HG1 H 0.846 . . 333 245 34 VAL HG2 H 0.801 . . 334 245 34 VAL C C 175.540 . . 335 245 34 VAL CA C 63.466 . . 336 245 34 VAL CB C 30.417 . . 337 245 34 VAL CG1 C 24.778 . . 338 245 34 VAL CG2 C 22.352 . . 339 245 34 VAL N N 126.055 . . 340 246 35 ASN H H 9.199 . . 341 246 35 ASN HA H 5.160 . . 342 246 35 ASN HB2 H 3.417 . . 343 246 35 ASN HB3 H 2.788 . . 344 246 35 ASN HD21 H 7.683 . . 345 246 35 ASN C C 177.384 . . 346 246 35 ASN CA C 51.109 . . 347 246 35 ASN CB C 40.766 . . 348 246 35 ASN N N 126.742 . . 349 247 36 LYS H H 8.651 . . 350 247 36 LYS HA H 3.895 . . 351 247 36 LYS HB2 H 1.668 . . 352 247 36 LYS HB3 H 1.929 . . 353 247 36 LYS HG2 H 1.364 . . 354 247 36 LYS HG3 H 1.364 . . 355 247 36 LYS HD2 H 1.618 . . 356 247 36 LYS HD3 H 1.618 . . 357 247 36 LYS HE2 H 2.952 . . 358 247 36 LYS HE3 H 2.952 . . 359 247 36 LYS C C 178.943 . . 360 247 36 LYS CA C 60.542 . . 361 247 36 LYS CB C 32.102 . . 362 247 36 LYS CG C 25.546 . . 363 247 36 LYS CD C 29.131 . . 364 247 36 LYS N N 118.492 . . 365 248 37 THR H H 8.176 . . 366 248 37 THR HA H 4.039 . . 367 248 37 THR HB H 4.353 . . 368 248 37 THR HG2 H 1.280 . . 369 248 37 THR CA C 66.538 . . 370 248 37 THR CB C 68.148 . . 371 248 37 THR CG2 C 21.684 . . 372 248 37 THR N N 119.277 . . 373 249 38 ASP H H 8.638 . . 374 249 38 ASP HA H 4.353 . . 375 249 38 ASP HB2 H 3.120 . . 376 249 38 ASP HB3 H 2.389 . . 377 249 38 ASP C C 178.531 . . 378 249 38 ASP CA C 57.049 . . 379 249 38 ASP CB C 41.278 . . 380 249 38 ASP N N 124.062 . . 381 250 39 SER H H 8.257 . . 382 250 39 SER HA H 3.980 . . 383 250 39 SER HB2 H 3.922 . . 384 250 39 SER HB3 H 3.849 . . 385 250 39 SER CA C 62.812 . . 386 250 39 SER CB C 69.373 . . 387 250 39 SER N N 113.611 . . 388 251 40 GLN H H 7.813 . . 389 251 40 GLN HA H 3.950 . . 390 251 40 GLN HB2 H 2.296 . . 391 251 40 GLN HB3 H 2.296 . . 392 251 40 GLN HG2 H 2.480 . . 393 251 40 GLN HG3 H 2.423 . . 394 251 40 GLN C C 178.815 . . 395 251 40 GLN CA C 59.334 . . 396 251 40 GLN CB C 27.866 . . 397 251 40 GLN CG C 33.889 . . 398 251 40 GLN N N 120.288 . . 399 252 41 THR H H 8.338 . . 400 252 41 THR HA H 4.030 . . 401 252 41 THR HB H 4.406 . . 402 252 41 THR HG2 H 1.384 . . 403 252 41 THR CA C 66.031 . . 404 252 41 THR CB C 68.304 . . 405 252 41 THR CG2 C 22.217 . . 406 252 41 THR N N 117.484 . . 407 253 42 LEU H H 8.713 . . 408 253 42 LEU HA H 4.115 . . 409 253 42 LEU HB2 H 2.218 . . 410 253 42 LEU HB3 H 1.430 . . 411 253 42 LEU HG H 1.843 . . 412 253 42 LEU HD1 H 0.889 . . 413 253 42 LEU HD2 H 0.805 . . 414 253 42 LEU C C 178.697 . . 415 253 42 LEU CA C 58.994 . . 416 253 42 LEU CB C 42.185 . . 417 253 42 LEU CG C 27.772 . . 418 253 42 LEU CD1 C 24.587 . . 419 253 42 LEU CD2 C 26.175 . . 420 253 42 LEU N N 125.619 . . 421 254 43 LEU H H 8.357 . . 422 254 43 LEU HA H 4.304 . . 423 254 43 LEU HB2 H 1.650 . . 424 254 43 LEU HB3 H 1.423 . . 425 254 43 LEU HG H 1.453 . . 426 254 43 LEU HD1 H 0.608 . . 427 254 43 LEU HD2 H 0.573 . . 428 254 43 LEU CA C 57.430 . . 429 254 43 LEU CB C 41.043 . . 430 254 43 LEU CG C 28.273 . . 431 254 43 LEU CD1 C 24.928 . . 432 254 43 LEU CD2 C 22.901 . . 433 254 43 LEU N N 118.472 . . 434 255 44 THR H H 7.962 . . 435 255 44 THR HA H 4.181 . . 436 255 44 THR HB H 4.342 . . 437 255 44 THR HG2 H 1.328 . . 438 255 44 THR C C 175.525 . . 439 255 44 THR CA C 64.715 . . 440 255 44 THR CB C 68.863 . . 441 255 44 THR CG2 C 21.630 . . 442 255 44 THR N N 111.266 . . 443 256 45 THR H H 7.800 . . 444 256 45 THR HA H 3.929 . . 445 256 45 THR HB H 3.928 . . 446 256 45 THR HG2 H 0.508 . . 447 256 45 THR C C 174.296 . . 448 256 45 THR CA C 66.052 . . 449 256 45 THR CB C 69.328 . . 450 256 45 THR CG2 C 20.441 . . 451 256 45 THR N N 117.728 . . 452 257 46 PHE H H 8.217 . . 453 257 46 PHE HA H 4.626 . . 454 257 46 PHE HB2 H 3.048 . . 455 257 46 PHE HB3 H 2.911 . . 456 257 46 PHE HD1 H 7.465 . . 457 257 46 PHE HD2 H 7.465 . . 458 257 46 PHE HE1 H 7.382 . . 459 257 46 PHE HE2 H 7.382 . . 460 257 46 PHE HZ H 6.946 . . 461 257 46 PHE CA C 59.201 . . 462 257 46 PHE CB C 40.514 . . 463 257 46 PHE CD1 C 132.087 . . 464 257 46 PHE CD2 C 132.087 . . 465 257 46 PHE CE1 C 131.517 . . 466 257 46 PHE CE2 C 131.517 . . 467 257 46 PHE N N 118.198 . . 468 258 47 GLY H H 8.279 . . 469 258 47 GLY HA2 H 4.070 . . 470 258 47 GLY HA3 H 4.013 . . 471 258 47 GLY C C 172.689 . . 472 258 47 GLY CA C 47.182 . . 473 258 47 GLY N N 107.174 . . 474 259 48 SER H H 7.560 . . 475 259 48 SER HA H 4.604 . . 476 259 48 SER HB2 H 3.900 . . 477 259 48 SER HB3 H 3.900 . . 478 259 48 SER C C 174.484 . . 479 259 48 SER CA C 55.946 . . 480 259 48 SER CB C 66.156 . . 481 259 48 SER N N 110.957 . . 482 260 49 LEU H H 10.469 . . 483 260 49 LEU HA H 4.164 . . 484 260 49 LEU HB2 H 1.845 . . 485 260 49 LEU HB3 H 1.485 . . 486 260 49 LEU HD1 H 0.945 . . 487 260 49 LEU HD2 H 0.905 . . 488 260 49 LEU CA C 57.763 . . 489 260 49 LEU CB C 40.402 . . 490 260 49 LEU CD1 C 22.532 . . 491 260 49 LEU CD2 C 23.484 . . 492 260 49 LEU N N 124.466 . . 493 261 50 GLU H H 8.022 . . 494 261 50 GLU HA H 3.449 . . 495 261 50 GLU HB2 H 2.066 . . 496 261 50 GLU HB3 H 1.914 . . 497 261 50 GLU HG2 H 2.117 . . 498 261 50 GLU HG3 H 2.008 . . 499 261 50 GLU C C 177.548 . . 500 261 50 GLU CA C 60.038 . . 501 261 50 GLU CB C 29.792 . . 502 261 50 GLU CG C 35.551 . . 503 261 50 GLU N N 118.605 . . 504 262 51 GLN H H 7.821 . . 505 262 51 GLN HA H 4.102 . . 506 262 51 GLN HB2 H 2.459 . . 507 262 51 GLN HB3 H 2.238 . . 508 262 51 GLN HG2 H 2.593 . . 509 262 51 GLN HG3 H 2.346 . . 510 262 51 GLN HE21 H 7.038 . . 511 262 51 GLN HE22 H 7.884 . . 512 262 51 GLN C C 178.041 . . 513 262 51 GLN CA C 58.323 . . 514 262 51 GLN CB C 29.370 . . 515 262 51 GLN CG C 34.702 . . 516 262 51 GLN N N 117.616 . . 517 262 51 GLN NE2 N 113.729 . . 518 263 52 LEU H H 7.695 . . 519 263 52 LEU HA H 3.234 . . 520 263 52 LEU HB2 H 1.770 . . 521 263 52 LEU HB3 H 1.517 . . 522 263 52 LEU HG H 1.413 . . 523 263 52 LEU HD1 H 0.727 . . 524 263 52 LEU HD2 H 0.727 . . 525 263 52 LEU C C 177.994 . . 526 263 52 LEU CA C 58.293 . . 527 263 52 LEU CB C 42.457 . . 528 263 52 LEU CG C 27.130 . . 529 263 52 LEU CD1 C 26.365 . . 530 263 52 LEU CD2 C 25.988 . . 531 263 52 LEU N N 122.354 . . 532 264 53 ILE H H 8.336 . . 533 264 53 ILE HA H 3.325 . . 534 264 53 ILE HB H 1.704 . . 535 264 53 ILE HG12 H 1.665 . . 536 264 53 ILE HG13 H 0.635 . . 537 264 53 ILE HG2 H 0.609 . . 538 264 53 ILE HD1 H 0.738 . . 539 264 53 ILE CA C 64.763 . . 540 264 53 ILE CB C 38.056 . . 541 264 53 ILE CG1 C 31.069 . . 542 264 53 ILE CG2 C 14.582 . . 543 264 53 ILE CD1 C 18.064 . . 544 264 53 ILE N N 117.795 . . 545 265 54 ALA H H 7.208 . . 546 265 54 ALA HA H 4.237 . . 547 265 54 ALA HB H 1.504 . . 548 265 54 ALA C C 177.359 . . 549 265 54 ALA CA C 52.409 . . 550 265 54 ALA CB C 19.047 . . 551 265 54 ALA N N 117.638 . . 552 266 55 ALA H H 7.123 . . 553 266 55 ALA HA H 4.370 . . 554 266 55 ALA HB H 1.369 . . 555 266 55 ALA C C 177.988 . . 556 266 55 ALA CA C 52.459 . . 557 266 55 ALA CB C 19.779 . . 558 266 55 ALA N N 122.167 . . 559 267 56 SER H H 9.146 . . 560 267 56 SER HA H 4.584 . . 561 267 56 SER HB2 H 4.359 . . 562 267 56 SER HB3 H 4.093 . . 563 267 56 SER CA C 56.929 . . 564 267 56 SER CB C 65.366 . . 565 267 56 SER N N 118.003 . . 566 268 57 ARG H H 8.466 . . 567 268 57 ARG HA H 3.498 . . 568 268 57 ARG HB2 H 1.315 . . 569 268 57 ARG HB3 H 0.844 . . 570 268 57 ARG HG2 H 0.945 . . 571 268 57 ARG HG3 H 0.887 . . 572 268 57 ARG HD2 H 2.905 . . 573 268 57 ARG HD3 H 2.847 . . 574 268 57 ARG C C 178.710 . . 575 268 57 ARG CA C 60.221 . . 576 268 57 ARG CB C 29.435 . . 577 268 57 ARG CD C 43.086 . . 578 268 57 ARG N N 121.004 . . 579 269 58 GLU H H 8.391 . . 580 269 58 GLU HA H 3.887 . . 581 269 58 GLU HB2 H 1.956 . . 582 269 58 GLU HB3 H 1.911 . . 583 269 58 GLU HG2 H 2.339 . . 584 269 58 GLU HG3 H 2.221 . . 585 269 58 GLU C C 178.429 . . 586 269 58 GLU CA C 59.913 . . 587 269 58 GLU CB C 28.920 . . 588 269 58 GLU CG C 37.121 . . 589 269 58 GLU N N 117.760 . . 590 270 59 ASP H H 8.030 . . 591 270 59 ASP HA H 4.435 . . 592 270 59 ASP HB2 H 3.161 . . 593 270 59 ASP HB3 H 2.755 . . 594 270 59 ASP C C 180.203 . . 595 270 59 ASP CA C 56.936 . . 596 270 59 ASP CB C 40.768 . . 597 270 59 ASP N N 119.993 . . 598 271 60 LEU H H 8.100 . . 599 271 60 LEU HA H 4.188 . . 600 271 60 LEU HB2 H 2.108 . . 601 271 60 LEU HB3 H 1.907 . . 602 271 60 LEU HD1 H 1.026 . . 603 271 60 LEU HD2 H 0.707 . . 604 271 60 LEU C C 178.277 . . 605 271 60 LEU CA C 58.252 . . 606 271 60 LEU CB C 42.541 . . 607 271 60 LEU CD1 C 26.092 . . 608 271 60 LEU N N 119.376 . . 609 272 61 ALA H H 7.845 . . 610 272 61 ALA HA H 3.861 . . 611 272 61 ALA HB H 1.366 . . 612 272 61 ALA C C 178.564 . . 613 272 61 ALA CA C 53.953 . . 614 272 61 ALA CB C 17.955 . . 615 272 61 ALA N N 117.966 . . 616 273 62 LEU H H 7.423 . . 617 273 62 LEU HA H 4.276 . . 618 273 62 LEU HB2 H 1.725 . . 619 273 62 LEU HB3 H 1.725 . . 620 273 62 LEU HG H 2.045 . . 621 273 62 LEU HD1 H 0.955 . . 622 273 62 LEU HD2 H 0.923 . . 623 273 62 LEU C C 177.959 . . 624 273 62 LEU CA C 54.983 . . 625 273 62 LEU CB C 42.333 . . 626 273 62 LEU CD1 C 25.016 . . 627 273 62 LEU CD2 C 22.668 . . 628 273 62 LEU N N 117.170 . . 629 274 63 CYS H H 7.713 . . 630 274 63 CYS HA H 4.543 . . 631 274 63 CYS HB2 H 3.203 . . 632 274 63 CYS HB3 H 3.034 . . 633 274 63 CYS C C 173.427 . . 634 274 63 CYS CA C 58.375 . . 635 274 63 CYS CB C 26.976 . . 636 274 63 CYS N N 122.698 . . 637 275 64 PRO HA H 4.273 . . 638 275 64 PRO HB2 H 1.989 . . 639 275 64 PRO HB3 H 2.306 . . 640 275 64 PRO HG2 H 2.004 . . 641 275 64 PRO HG3 H 2.004 . . 642 275 64 PRO HD2 H 4.094 . . 643 275 64 PRO HD3 H 3.707 . . 644 275 64 PRO C C 177.271 . . 645 275 64 PRO CA C 64.514 . . 646 275 64 PRO CB C 31.767 . . 647 275 64 PRO CG C 27.483 . . 648 275 64 PRO CD C 51.189 . . 649 276 65 GLY H H 8.757 . . 650 276 65 GLY HA2 H 4.241 . . 651 276 65 GLY HA3 H 3.742 . . 652 276 65 GLY C C 174.184 . . 653 276 65 GLY CA C 45.670 . . 654 276 65 GLY N N 111.211 . . 655 277 66 LEU H H 7.757 . . 656 277 66 LEU HA H 4.392 . . 657 277 66 LEU HB2 H 1.953 . . 658 277 66 LEU HB3 H 1.805 . . 659 277 66 LEU HG H 1.773 . . 660 277 66 LEU HD1 H 0.946 . . 661 277 66 LEU HD2 H 0.907 . . 662 277 66 LEU C C 177.650 . . 663 277 66 LEU CA C 56.240 . . 664 277 66 LEU CB C 42.026 . . 665 277 66 LEU CG C 27.393 . . 666 277 66 LEU CD1 C 24.693 . . 667 277 66 LEU CD2 C 24.101 . . 668 277 66 LEU N N 123.822 . . 669 278 67 GLY H H 8.349 . . 670 278 67 GLY HA2 H 4.399 . . 671 278 67 GLY HA3 H 4.099 . . 672 278 67 GLY C C 172.133 . . 673 278 67 GLY CA C 44.655 . . 674 278 67 GLY N N 107.079 . . 675 279 68 PRO HA H 4.234 . . 676 279 68 PRO HB3 H 2.364 . . 677 279 68 PRO HG2 H 2.029 . . 678 279 68 PRO HG3 H 2.029 . . 679 279 68 PRO HD2 H 3.817 . . 680 279 68 PRO HD3 H 3.746 . . 681 279 68 PRO CA C 65.293 . . 682 279 68 PRO CB C 31.886 . . 683 279 68 PRO CG C 27.677 . . 684 279 68 PRO CD C 49.788 . . 685 280 69 GLN HA H 4.248 . . 686 280 69 GLN HB2 H 2.161 . . 687 280 69 GLN HB3 H 2.161 . . 688 280 69 GLN HG2 H 2.468 . . 689 280 69 GLN HG3 H 2.431 . . 690 280 69 GLN HE21 H 6.818 . . 691 280 69 GLN HE22 H 7.518 . . 692 280 69 GLN CA C 59.258 . . 693 280 69 GLN CB C 28.178 . . 694 280 69 GLN NE2 N 111.298 . . 695 281 70 LYS H H 8.643 . . 696 281 70 LYS HA H 3.844 . . 697 281 70 LYS HB2 H 1.563 . . 698 281 70 LYS HB3 H 1.563 . . 699 281 70 LYS C C 178.247 . . 700 281 70 LYS CA C 60.208 . . 701 281 70 LYS CB C 33.451 . . 702 281 70 LYS N N 120.656 . . 703 282 71 ALA H H 7.757 . . 704 282 71 ALA HA H 3.869 . . 705 282 71 ALA HB H 1.454 . . 706 282 71 ALA C C 178.746 . . 707 282 71 ALA CA C 55.582 . . 708 282 71 ALA CB C 18.835 . . 709 282 71 ALA N N 117.707 . . 710 283 72 ARG H H 7.676 . . 711 283 72 ARG HA H 3.882 . . 712 283 72 ARG HB2 H 1.993 . . 713 283 72 ARG HB3 H 1.957 . . 714 283 72 ARG HG2 H 1.675 . . 715 283 72 ARG HG3 H 1.675 . . 716 283 72 ARG HD2 H 3.217 . . 717 283 72 ARG HD3 H 2.859 . . 718 283 72 ARG C C 177.481 . . 719 283 72 ARG CA C 59.800 . . 720 283 72 ARG CB C 29.546 . . 721 283 72 ARG CG C 27.096 . . 722 283 72 ARG CD C 43.211 . . 723 283 72 ARG N N 116.840 . . 724 284 73 ARG H H 7.763 . . 725 284 73 ARG HA H 4.189 . . 726 284 73 ARG HB2 H 1.861 . . 727 284 73 ARG HB3 H 1.861 . . 728 284 73 ARG HG2 H 1.906 . . 729 284 73 ARG HG3 H 1.776 . . 730 284 73 ARG HD2 H 3.309 . . 731 284 73 ARG HD3 H 3.182 . . 732 284 73 ARG C C 179.412 . . 733 284 73 ARG CA C 59.349 . . 734 284 73 ARG CB C 30.477 . . 735 284 73 ARG CG C 28.171 . . 736 284 73 ARG CD C 43.837 . . 737 284 73 ARG N N 117.269 . . 738 285 74 LEU H H 8.380 . . 739 285 74 LEU HA H 4.169 . . 740 285 74 LEU HB2 H 2.585 . . 741 285 74 LEU HB3 H 2.413 . . 742 285 74 LEU HG H 1.546 . . 743 285 74 LEU HD1 H 0.960 . . 744 285 74 LEU HD2 H 0.932 . . 745 285 74 LEU C C 176.666 . . 746 285 74 LEU CA C 57.716 . . 747 285 74 LEU CB C 42.185 . . 748 285 74 LEU CD1 C 27.222 . . 749 285 74 LEU CD2 C 24.408 . . 750 285 74 LEU N N 119.222 . . 751 286 75 PHE H H 8.647 . . 752 286 75 PHE HA H 3.850 . . 753 286 75 PHE HB2 H 3.181 . . 754 286 75 PHE HB3 H 3.151 . . 755 286 75 PHE HD1 H 7.190 . . 756 286 75 PHE HD2 H 7.190 . . 757 286 75 PHE HE1 H 6.764 . . 758 286 75 PHE HE2 H 6.764 . . 759 286 75 PHE C C 179.210 . . 760 286 75 PHE CA C 63.079 . . 761 286 75 PHE CB C 39.430 . . 762 286 75 PHE CE1 C 129.489 . . 763 286 75 PHE CE2 C 129.489 . . 764 286 75 PHE N N 118.854 . . 765 287 76 ASP H H 8.803 . . 766 287 76 ASP HA H 4.611 . . 767 287 76 ASP HB2 H 2.991 . . 768 287 76 ASP HB3 H 2.754 . . 769 287 76 ASP C C 178.829 . . 770 287 76 ASP CA C 57.648 . . 771 287 76 ASP CB C 39.437 . . 772 287 76 ASP N N 119.341 . . 773 288 77 VAL H H 7.898 . . 774 288 77 VAL HA H 3.596 . . 775 288 77 VAL HB H 2.067 . . 776 288 77 VAL HG1 H 1.066 . . 777 288 77 VAL HG2 H 0.695 . . 778 288 77 VAL C C 175.922 . . 779 288 77 VAL CA C 67.133 . . 780 288 77 VAL CB C 30.952 . . 781 288 77 VAL CG1 C 24.354 . . 782 288 77 VAL CG2 C 21.180 . . 783 288 77 VAL N N 121.334 . . 784 289 78 LEU H H 7.133 . . 785 289 78 LEU HA H 3.580 . . 786 289 78 LEU HB2 H 0.641 . . 787 289 78 LEU HB3 H 1.029 . . 788 289 78 LEU HG H 1.701 . . 789 289 78 LEU HD1 H 0.452 . . 790 289 78 LEU HD2 H -0.013 . . 791 289 78 LEU C C 175.067 . . 792 289 78 LEU CA C 55.429 . . 793 289 78 LEU CB C 41.670 . . 794 289 78 LEU CG C 25.507 . . 795 289 78 LEU CD1 C 25.400 . . 796 289 78 LEU CD2 C 21.489 . . 797 289 78 LEU N N 113.845 . . 798 290 79 HIS H H 7.344 . . 799 290 79 HIS HA H 4.445 . . 800 290 79 HIS HB2 H 2.783 . . 801 290 79 HIS HB3 H 2.748 . . 802 290 79 HIS HD2 H 6.730 . . 803 290 79 HIS HE1 H 8.859 . . 804 290 79 HIS C C 175.218 . . 805 290 79 HIS CA C 56.054 . . 806 290 79 HIS CB C 30.283 . . 807 290 79 HIS N N 110.324 . . 808 291 80 GLU H H 8.896 . . 809 291 80 GLU HA H 4.442 . . 810 291 80 GLU HB2 H 2.170 . . 811 291 80 GLU HB3 H 1.926 . . 812 291 80 GLU HG2 H 2.427 . . 813 291 80 GLU HG3 H 2.427 . . 814 291 80 GLU C C 172.740 . . 815 291 80 GLU CA C 55.506 . . 816 291 80 GLU CB C 29.627 . . 817 291 80 GLU CG C 37.077 . . 818 291 80 GLU N N 126.466 . . 819 292 81 PRO HA H 4.709 . . 820 292 81 PRO HB2 H 2.282 . . 821 292 81 PRO HB3 H 2.282 . . 822 292 81 PRO HG2 H 2.121 . . 823 292 81 PRO HG3 H 2.121 . . 824 292 81 PRO HD2 H 3.852 . . 825 292 81 PRO HD3 H 3.667 . . 826 292 81 PRO CA C 61.807 . . 827 292 81 PRO CB C 31.722 . . 828 292 81 PRO CG C 28.098 . . 829 292 81 PRO CD C 49.991 . . 830 293 82 PHE H H 7.937 . . 831 293 82 PHE HA H 4.544 . . 832 293 82 PHE HB2 H 3.471 . . 833 293 82 PHE HB3 H 3.125 . . 834 293 82 PHE HD1 H 7.482 . . 835 293 82 PHE HD2 H 7.482 . . 836 293 82 PHE HE1 H 7.000 . . 837 293 82 PHE HE2 H 7.000 . . 838 293 82 PHE HZ H 6.837 . . 839 293 82 PHE C C 177.464 . . 840 293 82 PHE CA C 61.451 . . 841 293 82 PHE CB C 40.333 . . 842 293 82 PHE CD1 C 132.719 . . 843 293 82 PHE CD2 C 132.719 . . 844 293 82 PHE CZ C 129.721 . . 845 293 82 PHE N N 117.379 . . 846 294 83 LEU H H 8.218 . . 847 294 83 LEU HA H 4.732 . . 848 294 83 LEU HB2 H 1.521 . . 849 294 83 LEU HB3 H 1.624 . . 850 294 83 LEU HG H 1.820 . . 851 294 83 LEU HD1 H 0.891 . . 852 294 83 LEU HD2 H 0.691 . . 853 294 83 LEU C C 176.724 . . 854 294 83 LEU CA C 54.095 . . 855 294 83 LEU CB C 42.219 . . 856 294 83 LEU CD1 C 25.518 . . 857 294 83 LEU CD2 C 23.624 . . 858 294 83 LEU N N 116.675 . . 859 295 84 LYS H H 8.133 . . 860 295 84 LYS HA H 4.162 . . 861 295 84 LYS HB2 H 1.680 . . 862 295 84 LYS HB3 H 1.471 . . 863 295 84 LYS HG2 H 1.259 . . 864 295 84 LYS HG3 H 1.259 . . 865 295 84 LYS HD2 H 1.646 . . 866 295 84 LYS HD3 H 1.646 . . 867 295 84 LYS HE2 H 3.015 . . 868 295 84 LYS HE3 H 3.015 . . 869 295 84 LYS C C 176.701 . . 870 295 84 LYS CA C 57.369 . . 871 295 84 LYS CB C 33.199 . . 872 295 84 LYS CG C 25.428 . . 873 295 84 LYS CD C 29.328 . . 874 295 84 LYS CE C 42.069 . . 875 295 84 LYS N N 121.803 . . 876 296 85 VAL H H 8.307 . . 877 296 85 VAL HA H 4.446 . . 878 296 85 VAL HB H 2.101 . . 879 296 85 VAL HG1 H 0.967 . . 880 296 85 VAL HG2 H 0.967 . . 881 296 85 VAL C C 174.315 . . 882 296 85 VAL CA C 59.430 . . 883 296 85 VAL CB C 32.830 . . 884 296 85 VAL CG1 C 20.369 . . 885 296 85 VAL CG2 C 21.124 . . 886 296 85 VAL N N 122.162 . . 887 297 86 PRO HA H 4.433 . . 888 297 86 PRO HB2 H 1.970 . . 889 297 86 PRO HB3 H 2.345 . . 890 297 86 PRO HG2 H 2.059 . . 891 297 86 PRO HG3 H 2.059 . . 892 297 86 PRO HD2 H 3.906 . . 893 297 86 PRO HD3 H 3.700 . . 894 297 86 PRO C C 177.516 . . 895 297 86 PRO CA C 63.390 . . 896 297 86 PRO CB C 32.062 . . 897 297 86 PRO CG C 27.501 . . 898 297 86 PRO CD C 50.876 . . 899 298 87 GLY H H 8.595 . . 900 298 87 GLY HA2 H 4.025 . . 901 298 87 GLY HA3 H 4.025 . . 902 298 87 GLY C C 174.776 . . 903 298 87 GLY CA C 45.311 . . 904 298 87 GLY N N 109.482 . . 905 299 88 GLY H H 8.432 . . 906 299 88 GLY HA2 H 4.035 . . 907 299 88 GLY HA3 H 4.035 . . 908 299 88 GLY C C 174.255 . . 909 299 88 GLY CA C 45.324 . . 910 299 88 GLY N N 108.802 . . 911 300 89 LEU H H 8.271 . . 912 300 89 LEU HA H 4.330 . . 913 300 89 LEU HB2 H 1.593 . . 914 300 89 LEU HB3 H 1.548 . . 915 300 89 LEU HG H 1.585 . . 916 300 89 LEU HD1 H 0.915 . . 917 300 89 LEU HD2 H 0.858 . . 918 300 89 LEU C C 177.493 . . 919 300 89 LEU CA C 55.291 . . 920 300 89 LEU CB C 42.214 . . 921 300 89 LEU CG C 27.003 . . 922 300 89 LEU CD1 C 24.926 . . 923 300 89 LEU CD2 C 23.363 . . 924 300 89 LEU N N 121.362 . . 925 301 90 GLU H H 8.573 . . 926 301 90 GLU HA H 4.210 . . 927 301 90 GLU HB2 H 1.914 . . 928 301 90 GLU HB3 H 1.891 . . 929 301 90 GLU HG2 H 2.198 . . 930 301 90 GLU HG3 H 2.159 . . 931 301 90 GLU C C 176.203 . . 932 301 90 GLU CA C 56.688 . . 933 301 90 GLU CB C 30.066 . . 934 301 90 GLU CG C 36.197 . . 935 301 90 GLU N N 121.269 . . 936 302 91 HIS H H 8.358 . . 937 302 91 HIS HA H 4.430 . . 938 302 91 HIS HB2 H 3.045 . . 939 302 91 HIS HB3 H 3.045 . . 940 302 91 HIS C C 174.887 . . 941 302 91 HIS CA C 56.443 . . 942 302 91 HIS CB C 30.291 . . 943 302 91 HIS N N 119.889 . . stop_ save_ save_assigned_chem_shift_list_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D HSQC' 'triple resonance' NOESY stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name entity_2 _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 1 823 2 ASP HA H 4.721 . . 2 823 2 ASP HB2 H 2.674 . . 3 823 2 ASP HB3 H 2.794 . . 4 823 2 ASP C C 176.014 . . 5 823 2 ASP CA C 54.628 . . 6 823 2 ASP CB C 41.169 . . 7 824 3 SER H H 8.543 . . 8 824 3 SER HA H 4.440 . . 9 824 3 SER HB2 H 3.910 . . 10 824 3 SER HB3 H 3.932 . . 11 824 3 SER C C 174.554 . . 12 824 3 SER CA C 58.656 . . 13 824 3 SER CB C 63.666 . . 14 824 3 SER N N 116.358 . . 15 825 4 GLU H H 8.582 . . 16 825 4 GLU HA H 4.365 . . 17 825 4 GLU HB2 H 2.063 . . 18 825 4 GLU HB3 H 2.243 . . 19 825 4 GLU HG2 H 2.278 . . 20 825 4 GLU HG3 H 2.302 . . 21 825 4 GLU C C 176.534 . . 22 825 4 GLU CA C 56.709 . . 23 825 4 GLU CB C 30.219 . . 24 825 4 GLU CG C 36.441 . . 25 825 4 GLU N N 122.380 . . 26 826 5 THR H H 8.247 . . 27 826 5 THR HA H 4.330 . . 28 826 5 THR HB H 4.171 . . 29 826 5 THR HG2 H 1.228 . . 30 826 5 THR C C 174.228 . . 31 826 5 THR CA C 61.817 . . 32 826 5 THR CB C 69.761 . . 33 826 5 THR CG2 C 21.915 . . 34 826 5 THR N N 115.621 . . 35 827 6 LEU H H 8.398 . . 36 827 6 LEU HA H 4.639 . . 37 827 6 LEU HB2 H 1.649 . . 38 827 6 LEU HB3 H 1.594 . . 39 827 6 LEU HG H 1.614 . . 40 827 6 LEU HD1 H 0.904 . . 41 827 6 LEU HD2 H 0.904 . . 42 827 6 LEU C C 175.024 . . 43 827 6 LEU CA C 53.031 . . 44 827 6 LEU CB C 41.954 . . 45 827 6 LEU CG C 27.097 . . 46 827 6 LEU CD1 C 23.530 . . 47 827 6 LEU CD2 C 23.530 . . 48 827 6 LEU N N 126.441 . . 49 828 7 PRO HA H 4.474 . . 50 828 7 PRO HB2 H 1.969 . . 51 828 7 PRO HB3 H 2.349 . . 52 828 7 PRO HG2 H 2.046 . . 53 828 7 PRO HG3 H 2.046 . . 54 828 7 PRO HD2 H 3.628 . . 55 828 7 PRO HD3 H 3.902 . . 56 828 7 PRO CA C 63.154 . . 57 828 7 PRO CB C 32.093 . . 58 828 7 PRO CG C 27.546 . . 59 828 7 PRO CD C 50.613 . . 60 829 8 GLU H H 8.829 . . 61 829 8 GLU HA H 4.211 . . 62 829 8 GLU HB2 H 2.141 . . 63 829 8 GLU HB3 H 2.141 . . 64 829 8 GLU HG2 H 2.376 . . 65 829 8 GLU HG3 H 2.411 . . 66 829 8 GLU C C 177.094 . . 67 829 8 GLU CA C 57.705 . . 68 829 8 GLU CB C 29.609 . . 69 829 8 GLU CG C 36.531 . . 70 829 8 GLU N N 120.960 . . 71 830 9 SER H H 8.316 . . 72 830 9 SER HA H 4.416 . . 73 830 9 SER HB2 H 4.048 . . 74 830 9 SER HB3 H 4.048 . . 75 830 9 SER C C 175.167 . . 76 830 9 SER CA C 59.733 . . 77 830 9 SER CB C 63.353 . . 78 830 9 SER N N 114.320 . . 79 831 10 GLU H H 8.465 . . 80 831 10 GLU HA H 4.380 . . 81 831 10 GLU HB2 H 1.958 . . 82 831 10 GLU HB3 H 2.106 . . 83 831 10 GLU HG2 H 2.192 . . 84 831 10 GLU HG3 H 2.229 . . 85 831 10 GLU C C 176.012 . . 86 831 10 GLU CA C 56.876 . . 87 831 10 GLU CB C 29.728 . . 88 831 10 GLU CG C 36.130 . . 89 831 10 GLU N N 121.314 . . 90 832 11 LYS H H 7.908 . . 91 832 11 LYS HA H 4.200 . . 92 832 11 LYS HB2 H 1.439 . . 93 832 11 LYS HB3 H 1.439 . . 94 832 11 LYS HG2 H 1.109 . . 95 832 11 LYS HG3 H 1.225 . . 96 832 11 LYS HD2 H 1.590 . . 97 832 11 LYS HD3 H 1.590 . . 98 832 11 LYS HE2 H 2.927 . . 99 832 11 LYS HE3 H 2.927 . . 100 832 11 LYS C C 175.939 . . 101 832 11 LYS CA C 56.755 . . 102 832 11 LYS CB C 33.545 . . 103 832 11 LYS CG C 24.954 . . 104 832 11 LYS CD C 29.248 . . 105 832 11 LYS CE C 41.975 . . 106 832 11 LYS N N 119.294 . . 107 833 12 TYR H H 7.874 . . 108 833 12 TYR HA H 5.385 . . 109 833 12 TYR HB2 H 2.636 . . 110 833 12 TYR HB3 H 3.077 . . 111 833 12 TYR HD1 H 7.139 . . 112 833 12 TYR HD2 H 7.139 . . 113 833 12 TYR HE1 H 6.668 . . 114 833 12 TYR HE2 H 6.668 . . 115 833 12 TYR C C 176.092 . . 116 833 12 TYR CA C 56.330 . . 117 833 12 TYR CB C 40.168 . . 118 833 12 TYR CD1 C 133.300 . . 119 833 12 TYR CD2 C 133.300 . . 120 833 12 TYR CE1 C 117.843 . . 121 833 12 TYR CE2 C 117.843 . . 122 833 12 TYR N N 118.331 . . 123 834 13 ASN H H 8.988 . . 124 834 13 ASN HA H 5.039 . . 125 834 13 ASN HB2 H 2.844 . . 126 834 13 ASN HB3 H 2.882 . . 127 834 13 ASN HD21 H 8.377 . . 128 834 13 ASN HD22 H 7.315 . . 129 834 13 ASN C C 180.957 . . 130 834 13 ASN CA C 50.906 . . 131 834 13 ASN CB C 38.569 . . 132 834 13 ASN N N 123.663 . . 133 834 13 ASN ND2 N 114.718 . . 134 835 14 PRO HA H 4.415 . . 135 835 14 PRO HB2 H 2.278 . . 136 835 14 PRO HB3 H 2.433 . . 137 835 14 PRO HG2 H 2.186 . . 138 835 14 PRO HG3 H 2.186 . . 139 835 14 PRO HD2 H 4.136 . . 140 835 14 PRO HD3 H 4.163 . . 141 835 14 PRO CA C 65.391 . . 142 835 14 PRO CB C 32.055 . . 143 835 14 PRO CG C 27.669 . . 144 835 14 PRO CD C 51.228 . . 145 836 15 GLY H H 8.882 . . 146 836 15 GLY HA2 H 3.973 . . 147 836 15 GLY HA3 H 4.147 . . 148 836 15 GLY C C 174.943 . . 149 836 15 GLY CA C 48.227 . . 150 836 15 GLY N N 105.400 . . 151 837 16 PRO HA H 4.303 . . 152 837 16 PRO HB2 H 1.971 . . 153 837 16 PRO HB3 H 2.654 . . 154 837 16 PRO HD2 H 3.650 . . 155 837 16 PRO HD3 H 3.727 . . 156 837 16 PRO CA C 65.394 . . 157 837 16 PRO CB C 33.748 . . 158 837 16 PRO CD C 51.218 . . 159 838 17 GLN H H 7.375 . . 160 838 17 GLN HA H 3.985 . . 161 838 17 GLN HB2 H 2.271 . . 162 838 17 GLN HB3 H 2.271 . . 163 838 17 GLN HG2 H 1.929 . . 164 838 17 GLN HG3 H 2.099 . . 165 838 17 GLN HE21 H 6.995 . . 166 838 17 GLN HE22 H 6.706 . . 167 838 17 GLN C C 176.471 . . 168 838 17 GLN CA C 60.019 . . 169 838 17 GLN CB C 29.841 . . 170 838 17 GLN CG C 34.631 . . 171 838 17 GLN N N 115.506 . . 172 838 17 GLN NE2 N 108.800 . . 173 839 18 ASP H H 8.935 . . 174 839 18 ASP HA H 4.434 . . 175 839 18 ASP HB2 H 2.570 . . 176 839 18 ASP HB3 H 2.570 . . 177 839 18 ASP C C 178.678 . . 178 839 18 ASP CA C 57.211 . . 179 839 18 ASP CB C 40.231 . . 180 839 18 ASP N N 118.483 . . 181 840 19 PHE H H 7.611 . . 182 840 19 PHE HA H 3.996 . . 183 840 19 PHE HB2 H 2.758 . . 184 840 19 PHE HB3 H 2.758 . . 185 840 19 PHE HD1 H 7.041 . . 186 840 19 PHE HD2 H 7.041 . . 187 840 19 PHE HE1 H 7.067 . . 188 840 19 PHE HE2 H 7.067 . . 189 840 19 PHE HZ H 6.942 . . 190 840 19 PHE CA C 61.028 . . 191 840 19 PHE CB C 40.178 . . 192 840 19 PHE CD1 C 133.446 . . 193 840 19 PHE CD2 C 133.446 . . 194 840 19 PHE CE1 C 129.026 . . 195 840 19 PHE CE2 C 129.026 . . 196 840 19 PHE CZ C 129.215 . . 197 840 19 PHE N N 118.976 . . 198 841 20 LEU H H 8.483 . . 199 841 20 LEU HA H 4.075 . . 200 841 20 LEU HB2 H 1.791 . . 201 841 20 LEU HB3 H 2.201 . . 202 841 20 LEU HG H 0.566 . . 203 841 20 LEU HD1 H 1.030 . . 204 841 20 LEU HD2 H 1.709 . . 205 841 20 LEU C C 178.821 . . 206 841 20 LEU CA C 58.248 . . 207 841 20 LEU CB C 42.921 . . 208 841 20 LEU CG C 26.460 . . 209 841 20 LEU CD1 C 24.823 . . 210 841 20 LEU CD2 C 26.998 . . 211 841 20 LEU N N 118.756 . . 212 842 21 LEU H H 8.107 . . 213 842 21 LEU HA H 3.856 . . 214 842 21 LEU HB2 H 1.834 . . 215 842 21 LEU HB3 H 1.686 . . 216 842 21 LEU HG H 1.847 . . 217 842 21 LEU HD1 H 0.850 . . 218 842 21 LEU HD2 H 0.811 . . 219 842 21 LEU C C 178.216 . . 220 842 21 LEU CA C 56.318 . . 221 842 21 LEU CB C 41.485 . . 222 842 21 LEU CG C 27.432 . . 223 842 21 LEU CD1 C 25.004 . . 224 842 21 LEU CD2 C 22.371 . . 225 842 21 LEU N N 113.591 . . 226 843 22 LYS H H 7.263 . . 227 843 22 LYS HA H 4.323 . . 228 843 22 LYS HB2 H 1.885 . . 229 843 22 LYS HB3 H 1.885 . . 230 843 22 LYS HG2 H 1.223 . . 231 843 22 LYS HG3 H 1.463 . . 232 843 22 LYS HD2 H 1.228 . . 233 843 22 LYS HD3 H 1.598 . . 234 843 22 LYS HE2 H 2.918 . . 235 843 22 LYS HE3 H 2.918 . . 236 843 22 LYS C C 176.474 . . 237 843 22 LYS CA C 54.951 . . 238 843 22 LYS CB C 33.458 . . 239 843 22 LYS CG C 24.656 . . 240 843 22 LYS CD C 29.190 . . 241 843 22 LYS CE C 41.958 . . 242 843 22 LYS N N 116.582 . . 243 844 23 MET H H 8.018 . . 244 844 23 MET HA H 3.642 . . 245 844 23 MET HB2 H 2.076 . . 246 844 23 MET HB3 H 2.076 . . 247 844 23 MET HG2 H 2.450 . . 248 844 23 MET HG3 H 3.425 . . 249 844 23 MET HE H 2.276 . . 250 844 23 MET C C 173.939 . . 251 844 23 MET CA C 55.126 . . 252 844 23 MET CB C 32.266 . . 253 844 23 MET CG C 34.015 . . 254 844 23 MET CE C 18.301 . . 255 844 23 MET N N 122.472 . . 256 845 24 PRO HA H 3.978 . . 257 845 24 PRO HB2 H 1.523 . . 258 845 24 PRO HB3 H 2.032 . . 259 845 24 PRO HG2 H 1.436 . . 260 845 24 PRO HD2 H 1.672 . . 261 845 24 PRO HD3 H 2.609 . . 262 845 24 PRO CA C 63.627 . . 263 845 24 PRO CB C 32.113 . . 264 845 24 PRO CG C 28.240 . . 265 845 24 PRO CD C 48.584 . . 266 846 25 GLY H H 7.936 . . 267 846 25 GLY HA2 H 3.357 . . 268 846 25 GLY HA3 H 4.475 . . 269 846 25 GLY C C 173.548 . . 270 846 25 GLY CA C 44.522 . . 271 846 25 GLY N N 107.140 . . 272 847 26 VAL H H 7.481 . . 273 847 26 VAL HA H 4.325 . . 274 847 26 VAL HB H 2.195 . . 275 847 26 VAL HG1 H 0.805 . . 276 847 26 VAL HG2 H 0.723 . . 277 847 26 VAL C C 175.749 . . 278 847 26 VAL CA C 61.606 . . 279 847 26 VAL CB C 31.476 . . 280 847 26 VAL CG1 C 22.515 . . 281 847 26 VAL CG2 C 22.515 . . 282 847 26 VAL N N 119.624 . . 283 848 27 ASN H H 9.358 . . 284 848 27 ASN HA H 4.845 . . 285 848 27 ASN HB2 H 2.948 . . 286 848 27 ASN HB3 H 3.100 . . 287 848 27 ASN HD21 H 7.769 . . 288 848 27 ASN HD22 H 6.519 . . 289 848 27 ASN C C 174.497 . . 290 848 27 ASN CA C 51.581 . . 291 848 27 ASN CB C 40.450 . . 292 848 27 ASN N N 123.912 . . 293 848 27 ASN ND2 N 115.136 . . 294 849 28 ALA H H 8.616 . . 295 849 28 ALA HA H 4.115 . . 296 849 28 ALA HB H 1.472 . . 297 849 28 ALA C C 179.141 . . 298 849 28 ALA CA C 55.051 . . 299 849 28 ALA CB C 18.530 . . 300 849 28 ALA N N 118.917 . . 301 850 29 LYS H H 8.245 . . 302 850 29 LYS HA H 4.319 . . 303 850 29 LYS HB2 H 1.912 . . 304 850 29 LYS HB3 H 1.912 . . 305 850 29 LYS HG2 H 1.467 . . 306 850 29 LYS HG3 H 1.508 . . 307 850 29 LYS HD2 H 1.716 . . 308 850 29 LYS HD3 H 1.716 . . 309 850 29 LYS HE2 H 3.064 . . 310 850 29 LYS HE3 H 3.064 . . 311 850 29 LYS C C 178.230 . . 312 850 29 LYS CA C 57.725 . . 313 850 29 LYS CB C 32.627 . . 314 850 29 LYS CG C 24.939 . . 315 850 29 LYS CD C 29.098 . . 316 850 29 LYS CE C 42.004 . . 317 850 29 LYS N N 115.920 . . 318 851 30 ASN H H 8.213 . . 319 851 30 ASN HA H 4.834 . . 320 851 30 ASN HB2 H 2.830 . . 321 851 30 ASN HB3 H 3.151 . . 322 851 30 ASN HD21 H 7.834 . . 323 851 30 ASN HD22 H 7.591 . . 324 851 30 ASN C C 179.394 . . 325 851 30 ASN CA C 53.162 . . 326 851 30 ASN CB C 39.466 . . 327 851 30 ASN N N 117.039 . . 328 851 30 ASN ND2 N 108.961 . . 329 852 31 CYS H H 8.112 . . 330 852 31 CYS HA H 3.972 . . 331 852 31 CYS HB2 H 2.596 . . 332 852 31 CYS HB3 H 3.009 . . 333 852 31 CYS C C 176.025 . . 334 852 31 CYS CA C 61.459 . . 335 852 31 CYS CB C 26.558 . . 336 852 31 CYS N N 118.691 . . 337 853 32 ARG H H 8.143 . . 338 853 32 ARG HA H 3.774 . . 339 853 32 ARG HB2 H 1.760 . . 340 853 32 ARG HB3 H 1.865 . . 341 853 32 ARG HG2 H 1.557 . . 342 853 32 ARG HG3 H 1.557 . . 343 853 32 ARG HD2 H 3.156 . . 344 853 32 ARG HD3 H 3.156 . . 345 853 32 ARG C C 178.373 . . 346 853 32 ARG CA C 59.809 . . 347 853 32 ARG CB C 29.086 . . 348 853 32 ARG CG C 27.906 . . 349 853 32 ARG CD C 43.155 . . 350 853 32 ARG N N 121.897 . . 351 854 33 SER H H 7.948 . . 352 854 33 SER HA H 4.310 . . 353 854 33 SER HB2 H 4.009 . . 354 854 33 SER HB3 H 4.009 . . 355 854 33 SER CA C 61.427 . . 356 854 33 SER CB C 62.438 . . 357 854 33 SER N N 115.019 . . 358 855 34 LEU H H 7.295 . . 359 855 34 LEU HA H 3.933 . . 360 855 34 LEU HB2 H 1.457 . . 361 855 34 LEU HB3 H 1.667 . . 362 855 34 LEU HG H 1.373 . . 363 855 34 LEU HD1 H 0.799 . . 364 855 34 LEU HD2 H 0.743 . . 365 855 34 LEU C C 177.617 . . 366 855 34 LEU CA C 58.921 . . 367 855 34 LEU CB C 42.201 . . 368 855 34 LEU CD1 C 26.553 . . 369 855 34 LEU CD2 C 24.445 . . 370 855 34 LEU N N 120.689 . . 371 856 35 MET H H 7.793 . . 372 856 35 MET HA H 3.624 . . 373 856 35 MET HB2 H 1.652 . . 374 856 35 MET HB3 H 1.711 . . 375 856 35 MET HG2 H 2.245 . . 376 856 35 MET HG3 H 0.557 . . 377 856 35 MET HE H 1.265 . . 378 856 35 MET C C 175.473 . . 379 856 35 MET CA C 58.910 . . 380 856 35 MET CB C 34.046 . . 381 856 35 MET CG C 31.887 . . 382 856 35 MET CE C 15.899 . . 383 856 35 MET N N 113.945 . . 384 857 36 HIS H H 7.727 . . 385 857 36 HIS HA H 4.569 . . 386 857 36 HIS HB2 H 3.106 . . 387 857 36 HIS HB3 H 3.165 . . 388 857 36 HIS HD2 H 6.968 . . 389 857 36 HIS C C 175.779 . . 390 857 36 HIS CA C 57.358 . . 391 857 36 HIS CB C 30.057 . . 392 857 36 HIS CD2 C 122.579 . . 393 857 36 HIS N N 112.486 . . 394 858 37 HIS H H 7.801 . . 395 858 37 HIS HA H 4.681 . . 396 858 37 HIS HB2 H 3.070 . . 397 858 37 HIS HB3 H 3.342 . . 398 858 37 HIS HD2 H 7.446 . . 399 858 37 HIS C C 174.090 . . 400 858 37 HIS CA C 58.197 . . 401 858 37 HIS CB C 32.422 . . 402 858 37 HIS CD2 C 121.986 . . 403 858 37 HIS N N 116.653 . . 404 859 38 VAL H H 8.061 . . 405 859 38 VAL HA H 4.495 . . 406 859 38 VAL HB H 2.359 . . 407 859 38 VAL HG1 H 1.213 . . 408 859 38 VAL HG2 H 1.086 . . 409 859 38 VAL C C 175.801 . . 410 859 38 VAL CA C 60.655 . . 411 859 38 VAL CB C 34.057 . . 412 859 38 VAL CG1 C 22.974 . . 413 859 38 VAL CG2 C 21.646 . . 414 859 38 VAL N N 118.183 . . 415 860 39 LYS H H 9.032 . . 416 860 39 LYS HA H 4.023 . . 417 860 39 LYS HB2 H 1.552 . . 418 860 39 LYS HB3 H 1.915 . . 419 860 39 LYS HG2 H 1.245 . . 420 860 39 LYS HG3 H 1.245 . . 421 860 39 LYS HD2 H 1.722 . . 422 860 39 LYS HD3 H 1.722 . . 423 860 39 LYS HE2 H 3.019 . . 424 860 39 LYS HE3 H 3.019 . . 425 860 39 LYS C C 176.287 . . 426 860 39 LYS CA C 60.157 . . 427 860 39 LYS CB C 34.015 . . 428 860 39 LYS CG C 24.810 . . 429 860 39 LYS CD C 29.060 . . 430 860 39 LYS CE C 42.112 . . 431 860 39 LYS N N 123.125 . . 432 861 40 ASN H H 7.369 . . 433 861 40 ASN HA H 3.149 . . 434 861 40 ASN HB2 H 2.421 . . 435 861 40 ASN HB3 H 2.421 . . 436 861 40 ASN HD21 H 7.732 . . 437 861 40 ASN HD22 H 7.059 . . 438 861 40 ASN C C 173.520 . . 439 861 40 ASN CA C 50.691 . . 440 861 40 ASN CB C 39.538 . . 441 861 40 ASN N N 112.782 . . 442 861 40 ASN ND2 N 112.880 . . 443 862 41 ILE H H 9.129 . . 444 862 41 ILE HA H 3.577 . . 445 862 41 ILE HB H 1.696 . . 446 862 41 ILE HG12 H 1.766 . . 447 862 41 ILE HG13 H 1.392 . . 448 862 41 ILE HG2 H 0.916 . . 449 862 41 ILE HD1 H 0.630 . . 450 862 41 ILE C C 177.544 . . 451 862 41 ILE CA C 64.859 . . 452 862 41 ILE CB C 35.885 . . 453 862 41 ILE CG1 C 30.674 . . 454 862 41 ILE CG2 C 12.607 . . 455 862 41 ILE CD1 C 17.210 . . 456 862 41 ILE N N 120.974 . . 457 863 42 ALA H H 7.048 . . 458 863 42 ALA HA H 3.793 . . 459 863 42 ALA HB H 0.956 . . 460 863 42 ALA C C 180.388 . . 461 863 42 ALA CA C 55.033 . . 462 863 42 ALA CB C 17.365 . . 463 863 42 ALA N N 119.959 . . 464 864 43 GLU H H 8.362 . . 465 864 43 GLU HA H 4.058 . . 466 864 43 GLU HB2 H 2.090 . . 467 864 43 GLU HB3 H 1.982 . . 468 864 43 GLU HG2 H 2.541 . . 469 864 43 GLU HG3 H 2.689 . . 470 864 43 GLU C C 179.404 . . 471 864 43 GLU CA C 59.271 . . 472 864 43 GLU CB C 29.923 . . 473 864 43 GLU CG C 37.531 . . 474 864 43 GLU N N 118.380 . . 475 865 44 LEU H H 7.969 . . 476 865 44 LEU HA H 4.094 . . 477 865 44 LEU HB2 H 1.880 . . 478 865 44 LEU HB3 H 2.085 . . 479 865 44 LEU HG H 1.853 . . 480 865 44 LEU HD1 H 1.051 . . 481 865 44 LEU HD2 H 0.983 . . 482 865 44 LEU C C 179.106 . . 483 865 44 LEU CA C 57.929 . . 484 865 44 LEU CB C 42.489 . . 485 865 44 LEU CG C 26.731 . . 486 865 44 LEU CD1 C 26.220 . . 487 865 44 LEU CD2 C 25.952 . . 488 865 44 LEU N N 119.935 . . 489 866 45 ALA H H 7.713 . . 490 866 45 ALA HA H 3.974 . . 491 866 45 ALA HB H 1.426 . . 492 866 45 ALA C C 175.644 . . 493 866 45 ALA CA C 54.061 . . 494 866 45 ALA CB C 18.776 . . 495 866 45 ALA N N 116.815 . . 496 867 46 ALA H H 7.492 . . 497 867 46 ALA HA H 4.581 . . 498 867 46 ALA HB H 1.594 . . 499 867 46 ALA C C 178.040 . . 500 867 46 ALA CA C 51.919 . . 501 867 46 ALA CB C 19.619 . . 502 867 46 ALA N N 118.093 . . 503 868 47 LEU H H 7.100 . . 504 868 47 LEU HA H 4.643 . . 505 868 47 LEU HB2 H 1.597 . . 506 868 47 LEU HB3 H 1.972 . . 507 868 47 LEU HG H 2.159 . . 508 868 47 LEU HD1 H 0.944 . . 509 868 47 LEU HD2 H 0.923 . . 510 868 47 LEU C C 177.977 . . 511 868 47 LEU CA C 54.757 . . 512 868 47 LEU CB C 43.409 . . 513 868 47 LEU CG C 26.073 . . 514 868 47 LEU CD1 C 27.136 . . 515 868 47 LEU CD2 C 22.852 . . 516 868 47 LEU N N 118.633 . . 517 869 48 SER H H 9.695 . . 518 869 48 SER HA H 4.664 . . 519 869 48 SER HB2 H 4.421 . . 520 869 48 SER HB3 H 4.421 . . 521 869 48 SER C C 174.525 . . 522 869 48 SER CA C 57.112 . . 523 869 48 SER CB C 65.482 . . 524 869 48 SER N N 119.603 . . 525 870 49 GLN H H 8.879 . . 526 870 49 GLN HA H 3.661 . . 527 870 49 GLN HB2 H 1.367 . . 528 870 49 GLN HB3 H 1.622 . . 529 870 49 GLN HG3 H 2.100 . . 530 870 49 GLN HE21 H 7.307 . . 531 870 49 GLN HE22 H 6.636 . . 532 870 49 GLN C C 179.141 . . 533 870 49 GLN CA C 60.313 . . 534 870 49 GLN CB C 27.935 . . 535 870 49 GLN CG C 33.839 . . 536 870 49 GLN N N 122.157 . . 537 871 50 ASP H H 8.597 . . 538 871 50 ASP HA H 4.338 . . 539 871 50 ASP HB2 H 2.582 . . 540 871 50 ASP HB3 H 2.624 . . 541 871 50 ASP C C 179.075 . . 542 871 50 ASP CA C 57.525 . . 543 871 50 ASP CB C 40.203 . . 544 871 50 ASP N N 120.244 . . 545 872 51 GLU H H 8.127 . . 546 872 51 GLU HA H 4.105 . . 547 872 51 GLU HB2 H 2.016 . . 548 872 51 GLU HG2 H 2.449 . . 549 872 51 GLU HG3 H 2.372 . . 550 872 51 GLU C C 180.073 . . 551 872 51 GLU CA C 59.494 . . 552 872 51 GLU CB C 30.101 . . 553 872 51 GLU CG C 37.652 . . 554 872 51 GLU N N 122.615 . . 555 873 52 LEU H H 8.467 . . 556 873 52 LEU HA H 4.064 . . 557 873 52 LEU HB2 H 1.400 . . 558 873 52 LEU HB3 H 2.173 . . 559 873 52 LEU HG H 0.972 . . 560 873 52 LEU HD1 H 1.083 . . 561 873 52 LEU HD2 H 0.996 . . 562 873 52 LEU C C 178.632 . . 563 873 52 LEU CA C 58.070 . . 564 873 52 LEU CB C 42.706 . . 565 873 52 LEU CG C 27.291 . . 566 873 52 LEU CD1 C 25.734 . . 567 873 52 LEU CD2 C 24.390 . . 568 873 52 LEU N N 118.915 . . 569 874 53 THR H H 8.497 . . 570 874 53 THR HA H 4.452 . . 571 874 53 THR HB H 3.538 . . 572 874 53 THR HG2 H 1.486 . . 573 874 53 THR CA C 67.810 . . 574 874 53 THR CB C 68.055 . . 575 874 53 THR CG2 C 20.223 . . 576 874 53 THR N N 119.390 . . 577 875 54 SER H H 7.684 . . 578 875 54 SER HA H 4.168 . . 579 875 54 SER HB2 H 4.004 . . 580 875 54 SER HB3 H 4.004 . . 581 875 54 SER CA C 61.413 . . 582 875 54 SER CB C 62.549 . . 583 875 54 SER N N 116.897 . . 584 876 55 ILE H H 7.696 . . 585 876 55 ILE HA H 3.568 . . 586 876 55 ILE HB H 1.552 . . 587 876 55 ILE HG12 H 0.552 . . 588 876 55 ILE HG13 H 2.505 . . 589 876 55 ILE HG2 H 0.705 . . 590 876 55 ILE HD1 H 0.700 . . 591 876 55 ILE C C 177.469 . . 592 876 55 ILE CA C 64.392 . . 593 876 55 ILE CB C 39.499 . . 594 876 55 ILE CG1 C 28.688 . . 595 876 55 ILE CG2 C 17.552 . . 596 876 55 ILE CD1 C 16.964 . . 597 876 55 ILE N N 119.687 . . 598 877 56 LEU H H 8.613 . . 599 877 56 LEU HA H 4.224 . . 600 877 56 LEU HB2 H 1.570 . . 601 877 56 LEU HB3 H 1.893 . . 602 877 56 LEU HG H 1.787 . . 603 877 56 LEU HD1 H 0.754 . . 604 877 56 LEU HD2 H 0.773 . . 605 877 56 LEU C C 178.874 . . 606 877 56 LEU CA C 56.304 . . 607 877 56 LEU CB C 42.452 . . 608 877 56 LEU CD1 C 25.042 . . 609 877 56 LEU CD2 C 22.395 . . 610 877 56 LEU N N 115.382 . . 611 878 57 GLY H H 8.222 . . 612 878 57 GLY HA2 H 3.921 . . 613 878 57 GLY HA3 H 4.164 . . 614 878 57 GLY C C 173.381 . . 615 878 57 GLY CA C 45.951 . . 616 878 57 GLY N N 108.006 . . 617 879 58 ASN H H 6.682 . . 618 879 58 ASN HA H 4.850 . . 619 879 58 ASN HB2 H 2.624 . . 620 879 58 ASN HB3 H 2.793 . . 621 879 58 ASN HD21 H 7.901 . . 622 879 58 ASN HD22 H 7.066 . . 623 879 58 ASN C C 174.328 . . 624 879 58 ASN CA C 53.767 . . 625 879 58 ASN CB C 41.661 . . 626 879 58 ASN N N 114.378 . . 627 879 58 ASN ND2 N 113.890 . . 628 880 59 ALA HA H 4.357 . . 629 880 59 ALA HB H 1.465 . . 630 880 59 ALA C C 179.472 . . 631 880 59 ALA CA C 54.630 . . 632 880 59 ALA CB C 18.468 . . 633 881 60 ALA H H 8.491 . . 634 881 60 ALA HA H 4.264 . . 635 881 60 ALA HB H 1.534 . . 636 881 60 ALA C C 181.053 . . 637 881 60 ALA CA C 55.157 . . 638 881 60 ALA CB C 17.439 . . 639 881 60 ALA N N 123.581 . . 640 882 61 ASN H H 8.573 . . 641 882 61 ASN HA H 4.505 . . 642 882 61 ASN HB2 H 2.450 . . 643 882 61 ASN HB3 H 3.360 . . 644 882 61 ASN HD21 H 7.534 . . 645 882 61 ASN HD22 H 7.082 . . 646 882 61 ASN C C 176.484 . . 647 882 61 ASN CA C 55.967 . . 648 882 61 ASN CB C 37.750 . . 649 882 61 ASN N N 118.459 . . 650 882 61 ASN ND2 N 110.040 . . 651 883 62 ALA H H 7.658 . . 652 883 62 ALA HA H 3.877 . . 653 883 62 ALA HB H 1.490 . . 654 883 62 ALA C C 178.308 . . 655 883 62 ALA CA C 55.471 . . 656 883 62 ALA CB C 20.162 . . 657 883 62 ALA N N 119.663 . . 658 884 63 LYS H H 8.096 . . 659 884 63 LYS HA H 4.003 . . 660 884 63 LYS HB2 H 1.841 . . 661 884 63 LYS HB3 H 1.954 . . 662 884 63 LYS HG2 H 1.303 . . 663 884 63 LYS HG3 H 1.417 . . 664 884 63 LYS HE2 H 3.020 . . 665 884 63 LYS HE3 H 3.043 . . 666 884 63 LYS C C 177.594 . . 667 884 63 LYS CA C 59.835 . . 668 884 63 LYS CB C 32.573 . . 669 884 63 LYS CG C 30.792 . . 670 884 63 LYS CE C 42.901 . . 671 884 63 LYS N N 118.594 . . 672 885 64 GLN H H 7.777 . . 673 885 64 GLN HA H 4.156 . . 674 885 64 GLN HB2 H 2.044 . . 675 885 64 GLN HB3 H 2.169 . . 676 885 64 GLN HG2 H 2.359 . . 677 885 64 GLN HG3 H 2.591 . . 678 885 64 GLN HE21 H 7.356 . . 679 885 64 GLN HE22 H 6.826 . . 680 885 64 GLN C C 178.998 . . 681 885 64 GLN CA C 59.249 . . 682 885 64 GLN CB C 29.255 . . 683 885 64 GLN CG C 34.469 . . 684 885 64 GLN N N 116.143 . . 685 885 64 GLN NE2 N 110.450 . . 686 886 65 LEU H H 7.985 . . 687 886 65 LEU HA H 4.393 . . 688 886 65 LEU HB2 H 1.917 . . 689 886 65 LEU HG H 1.605 . . 690 886 65 LEU HD1 H 0.916 . . 691 886 65 LEU HD2 H 1.053 . . 692 886 65 LEU C C 177.883 . . 693 886 65 LEU CA C 57.998 . . 694 886 65 LEU CB C 42.243 . . 695 886 65 LEU CD2 C 23.758 . . 696 886 65 LEU N N 121.896 . . 697 887 66 TYR H H 8.996 . . 698 887 66 TYR HA H 3.947 . . 699 887 66 TYR HB2 H 3.189 . . 700 887 66 TYR HB3 H 3.226 . . 701 887 66 TYR HD1 H 7.220 . . 702 887 66 TYR HD2 H 7.220 . . 703 887 66 TYR HE1 H 6.846 . . 704 887 66 TYR HE2 H 6.846 . . 705 887 66 TYR C C 178.768 . . 706 887 66 TYR CA C 63.574 . . 707 887 66 TYR CB C 40.000 . . 708 887 66 TYR CD1 C 133.444 . . 709 887 66 TYR CD2 C 133.444 . . 710 887 66 TYR CE1 C 118.238 . . 711 887 66 TYR CE2 C 118.238 . . 712 887 66 TYR N N 119.829 . . 713 888 67 ASP H H 9.343 . . 714 888 67 ASP HA H 4.533 . . 715 888 67 ASP HB2 H 2.647 . . 716 888 67 ASP HB3 H 2.970 . . 717 888 67 ASP C C 179.677 . . 718 888 67 ASP CA C 57.139 . . 719 888 67 ASP CB C 39.200 . . 720 888 67 ASP N N 118.878 . . 721 889 68 PHE H H 8.075 . . 722 889 68 PHE HA H 4.418 . . 723 889 68 PHE HB2 H 3.465 . . 724 889 68 PHE HB3 H 3.507 . . 725 889 68 PHE HD1 H 7.290 . . 726 889 68 PHE HD2 H 7.290 . . 727 889 68 PHE HE1 H 7.674 . . 728 889 68 PHE HE2 H 7.674 . . 729 889 68 PHE C C 174.836 . . 730 889 68 PHE CA C 61.004 . . 731 889 68 PHE CB C 39.703 . . 732 889 68 PHE CD1 C 131.618 . . 733 889 68 PHE CD2 C 131.618 . . 734 889 68 PHE N N 122.700 . . 735 890 69 ILE H H 7.627 . . 736 890 69 ILE HA H 3.461 . . 737 890 69 ILE HB H 1.398 . . 738 890 69 ILE HG12 H 0.612 . . 739 890 69 ILE HG13 H 2.252 . . 740 890 69 ILE HG2 H -0.009 . . 741 890 69 ILE HD1 H 0.731 . . 742 890 69 ILE C C 175.769 . . 743 890 69 ILE CA C 64.304 . . 744 890 69 ILE CB C 39.321 . . 745 890 69 ILE CG1 C 29.637 . . 746 890 69 ILE CG2 C 16.577 . . 747 890 69 ILE CD1 C 13.907 . . 748 890 69 ILE N N 113.858 . . 749 891 70 HIS H H 7.689 . . 750 891 70 HIS HA H 4.473 . . 751 891 70 HIS HB2 H 3.392 . . 752 891 70 HIS HB3 H 3.392 . . 753 891 70 HIS HD2 H 6.031 . . 754 891 70 HIS HE1 H 8.852 . . 755 891 70 HIS C C 174.878 . . 756 891 70 HIS CA C 56.696 . . 757 891 70 HIS CB C 28.852 . . 758 891 70 HIS CD2 C 122.560 . . 759 891 70 HIS N N 110.193 . . 760 892 71 THR H H 7.581 . . 761 892 71 THR HA H 4.198 . . 762 892 71 THR HB H 3.962 . . 763 892 71 THR HG2 H 1.165 . . 764 892 71 THR C C 172.480 . . 765 892 71 THR CA C 64.546 . . 766 892 71 THR CB C 69.309 . . 767 892 71 THR CG2 C 21.134 . . 768 892 71 THR N N 118.206 . . 769 893 72 SER H H 8.700 . . 770 893 72 SER HA H 4.666 . . 771 893 72 SER HB2 H 3.923 . . 772 893 72 SER HB3 H 3.968 . . 773 893 72 SER C C 175.249 . . 774 893 72 SER CA C 57.160 . . 775 893 72 SER CB C 63.572 . . 776 893 72 SER N N 119.947 . . 777 894 73 PHE H H 8.484 . . 778 894 73 PHE HA H 4.660 . . 779 894 73 PHE HB2 H 3.092 . . 780 894 73 PHE HB3 H 3.128 . . 781 894 73 PHE HD1 H 7.342 . . 782 894 73 PHE HD2 H 7.342 . . 783 894 73 PHE HE1 H 7.214 . . 784 894 73 PHE HE2 H 7.214 . . 785 894 73 PHE C C 176.250 . . 786 894 73 PHE CA C 57.443 . . 787 894 73 PHE CB C 38.931 . . 788 894 73 PHE CD1 C 131.457 . . 789 894 73 PHE CD2 C 131.457 . . 790 894 73 PHE CE1 C 131.426 . . 791 894 73 PHE CE2 C 131.426 . . 792 894 73 PHE N N 124.823 . . 793 895 74 ALA H H 8.299 . . 794 895 74 ALA HA H 4.311 . . 795 895 74 ALA HB H 1.455 . . 796 895 74 ALA C C 178.291 . . 797 895 74 ALA CA C 53.620 . . 798 895 74 ALA CB C 19.462 . . 799 895 74 ALA N N 122.585 . . 800 896 75 GLU H H 8.364 . . 801 896 75 GLU HA H 4.271 . . 802 896 75 GLU HB2 H 2.091 . . 803 896 75 GLU HB3 H 2.091 . . 804 896 75 GLU HG2 H 2.311 . . 805 896 75 GLU HG3 H 2.311 . . 806 896 75 GLU C C 177.251 . . 807 896 75 GLU CA C 57.312 . . 808 896 75 GLU CB C 29.912 . . 809 896 75 GLU CG C 36.453 . . 810 896 75 GLU N N 118.335 . . 811 897 76 VAL H H 8.022 . . 812 897 76 VAL HA H 4.117 . . 813 897 76 VAL HB H 2.211 . . 814 897 76 VAL HG1 H 1.055 . . 815 897 76 VAL HG2 H 1.055 . . 816 897 76 VAL C C 177.081 . . 817 897 76 VAL CA C 63.336 . . 818 897 76 VAL CB C 32.369 . . 819 897 76 VAL CG1 C 21.337 . . 820 897 76 VAL CG2 C 21.337 . . 821 897 76 VAL N N 119.832 . . 822 898 77 VAL H H 8.141 . . 823 898 77 VAL HA H 4.120 . . 824 898 77 VAL HB H 2.139 . . 825 898 77 VAL HG1 H 1.026 . . 826 898 77 VAL HG2 H 0.986 . . 827 898 77 VAL C C 176.714 . . 828 898 77 VAL CA C 63.190 . . 829 898 77 VAL CB C 32.396 . . 830 898 77 VAL CG1 C 21.173 . . 831 898 77 VAL CG2 C 21.173 . . 832 898 77 VAL N N 121.519 . . 833 899 78 SER H H 8.314 . . 834 899 78 SER HA H 4.504 . . 835 899 78 SER HB2 H 3.945 . . 836 899 78 SER HB3 H 3.945 . . 837 899 78 SER C C 174.990 . . 838 899 78 SER CA C 58.705 . . 839 899 78 SER CB C 63.473 . . 840 899 78 SER N N 118.135 . . 841 900 79 LYS H H 8.327 . . 842 900 79 LYS HA H 4.348 . . 843 900 79 LYS HB2 H 1.930 . . 844 900 79 LYS HB3 H 1.930 . . 845 900 79 LYS C C 177.356 . . 846 900 79 LYS CA C 56.889 . . 847 900 79 LYS CB C 32.784 . . 848 900 79 LYS N N 123.018 . . 849 901 80 GLY H H 8.424 . . 850 901 80 GLY HA2 H 4.027 . . 851 901 80 GLY HA3 H 4.027 . . 852 901 80 GLY C C 174.292 . . 853 901 80 GLY CA C 45.448 . . 854 901 80 GLY N N 109.159 . . 855 902 81 LYS H H 8.257 . . 856 902 81 LYS HA H 4.368 . . 857 902 81 LYS HB3 H 1.935 . . 858 902 81 LYS HG2 H 1.484 . . 859 902 81 LYS HE2 H 3.025 . . 860 902 81 LYS HE3 H 3.025 . . 861 902 81 LYS C C 177.267 . . 862 902 81 LYS CA C 56.468 . . 863 902 81 LYS CB C 32.928 . . 864 902 81 LYS N N 120.712 . . 865 903 82 GLY H H 8.567 . . 866 903 82 GLY HA2 H 3.998 . . 867 903 82 GLY HA3 H 3.998 . . 868 903 82 GLY C C 173.824 . . 869 903 82 GLY CA C 45.241 . . 870 903 82 GLY N N 109.999 . . 871 904 83 LYS H H 8.206 . . 872 904 83 LYS HA H 4.390 . . 873 904 83 LYS HB2 H 1.790 . . 874 904 83 LYS HB3 H 1.922 . . 875 904 83 LYS C C 175.745 . . 876 904 83 LYS CA C 56.211 . . 877 904 83 LYS CB C 33.078 . . 878 904 83 LYS N N 121.288 . . 879 905 84 LYS H H 8.120 . . 880 905 84 LYS HA H 4.146 . . 881 905 84 LYS HB2 H 1.837 . . 882 905 84 LYS HB3 H 1.837 . . 883 905 84 LYS HG2 H 1.397 . . 884 905 84 LYS HG3 H 1.397 . . 885 905 84 LYS HD2 H 1.738 . . 886 905 84 LYS HD3 H 1.738 . . 887 905 84 LYS HE2 H 3.006 . . 888 905 84 LYS HE3 H 3.006 . . 889 905 84 LYS C C 181.385 . . 890 905 84 LYS CA C 57.688 . . 891 905 84 LYS CB C 33.417 . . 892 905 84 LYS CG C 24.882 . . 893 905 84 LYS CD C 28.947 . . 894 905 84 LYS CE C 42.126 . . 895 905 84 LYS N N 128.190 . . stop_ save_