data_34151 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the complexed RCD1-RST ; _BMRB_accession_number 34151 _BMRB_flat_file_name bmr34151.str _Entry_type original _Submission_date 2017-06-23 _Accession_date 2017-06-23 _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 Bugge K. . . 2 Staby L. . . 3 Skriver K. . . 4 Kragelund B. B. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 303 "13C chemical shifts" 245 "15N chemical shifts" 60 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-04-13 original BMRB . stop_ _Original_release_date 2017-07-17 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; The alpha-alpha-hub domains: PAH, TAFH, NCBD and RST; A novel hub-family in transcriptional networks ; _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 Bugge K. . . 2 Staby L. . . 3 Kemplen K. R. . 4 Bendsen S. K. . 5 Jensen M. K. . 6 Olsen J. G. . 7 Skriver K. . . 8 Kragelund B. B. . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD 0353 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Inactive poly [ADP-ribose] polymerase RCD1' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 stop_ _System_molecular_weight . _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 'RST domain from the Radical-Induced Cell Death1' _Molecular_mass 8455.854 _Mol_thiol_state 'not present' _Details 'Complexed with the peptide DREB2A' ############################## # Polymer residue sequence # ############################## _Residue_count 73 _Mol_residue_sequence ; TTRPKSPWMPFPTLFAAISH KVAENDMLLINADYQQLRDK KMTRAEFVRKLRVIVGDDLL RSTITTLQNQPKS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 500 THR 2 501 THR 3 502 ARG 4 503 PRO 5 504 LYS 6 505 SER 7 506 PRO 8 507 TRP 9 508 MET 10 509 PRO 11 510 PHE 12 511 PRO 13 512 THR 14 513 LEU 15 514 PHE 16 515 ALA 17 516 ALA 18 517 ILE 19 518 SER 20 519 HIS 21 520 LYS 22 521 VAL 23 522 ALA 24 523 GLU 25 524 ASN 26 525 ASP 27 526 MET 28 527 LEU 29 528 LEU 30 529 ILE 31 530 ASN 32 531 ALA 33 532 ASP 34 533 TYR 35 534 GLN 36 535 GLN 37 536 LEU 38 537 ARG 39 538 ASP 40 539 LYS 41 540 LYS 42 541 MET 43 542 THR 44 543 ARG 45 544 ALA 46 545 GLU 47 546 PHE 48 547 VAL 49 548 ARG 50 549 LYS 51 550 LEU 52 551 ARG 53 552 VAL 54 553 ILE 55 554 VAL 56 555 GLY 57 556 ASP 58 557 ASP 59 558 LEU 60 559 LEU 61 560 ARG 62 561 SER 63 562 THR 64 563 ILE 65 564 THR 66 565 THR 67 566 LEU 68 567 GLN 69 568 ASN 70 569 GLN 71 570 PRO 72 571 LYS 73 572 SER 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 _Gene_mnemonic $entity_1 'Thale cress' 3702 Eukaryota Viridiplantae Arabidopsis thaliana 'RCD1, ATP8, CEO1, At1g32230, F3C3.1' 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 . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '200 uM [U-13C; U-15N] RCD1-RST, 200 uM DREB2A, 0.2 mg/mL sodium azide, 0.7 mM DSS, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling DREB2A 200 uM 'natural abundance' DSS 0.7 mM 'natural abundance' $entity_1 200 uM '[U-13C; U-15N]' 'sodium azide' 0.2 mg/mL 'natural abundance' NaCl 100 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '150 uM [U-15N] RCD1-RST, 150 uM DREB2A, 0.2 mg/mL sodium azide, 0.7 mM DSS, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling DREB2A 150 uM 'natural abundance' DSS 0.7 mM 'natural abundance' $entity_1 150 uM [U-15N] 'sodium azide' 0.2 mg/mL 'natural abundance' NaCl 100 mM 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details '200 uM [U-13C; U-15N] RCD1-RST, 200 uM [U-13C; U-15N] DREB2A, 0.2 mg/mL sodium azide, 0.7 mM DSS, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling DREB2A 200 uM '[U-13C; U-15N]' DSS 0.7 mM 'natural abundance' $entity_1 200 uM '[U-13C; U-15N]' 'sodium azide' 0.2 mg/mL 'natural abundance' NaCl 100 mM 'natural abundance' stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details '300 uM [U-15N] RCD1-RST, 900 uM DREB2A, 50 mg/mL C12E5, 0.2 mg/mL sodium azide, 0.7 mM DSS, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling C12E5 50 mg/mL 'natural abundance' DREB2A 900 uM 'natural abundance' DSS 0.7 mM 'natural abundance' $entity_1 300 uM [U-15N] 'sodium azide' 0.2 mg/mL 'natural abundance' NaCl 100 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name Analysis _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' stop_ _Details . save_ save_software_2 _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ save_software_3 _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_software_4 _Saveframe_category software _Name ProcheckNMR _Version . loop_ _Vendor _Address _Electronic_address 'Laskowski and MacArthur' . . stop_ loop_ _Task 'geometry optimization' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_6 _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_7 _Saveframe_category software _Name VNMR _Version . loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_8 _Saveframe_category software _Name 'X-PLOR NIH' _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details 'Room temperature probe' save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 750 _Details 'Room temperature probe' save_ save_NMR_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 750 _Details 'Cryo probe' save_ save_NMR_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details 'Cryo probe' save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_HNHA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_3 save_ save_3D_HNCO_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_3 save_ save_3D_HCCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_3 save_ save_3D_1H-13C_NOESY_aliphatic_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_3 save_ save_2D_1H-15N_HSQC_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_3 save_ save_2D_1H-15N_HSQC_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_3 save_ save_2D_1H-15N_IPAP-HSQC_17 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N IPAP-HSQC' _Sample_label $sample_4 save_ save_2D_1H-15N_HSQC_18 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_3 save_ save_2D_1H-15N_IPAP-HSQC_19 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N IPAP-HSQC' _Sample_label $sample_4 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' 100 . mM pH 7.0 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Saveframe_category chemical_shift_reference _Details 'DSS internal' 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 0.000 internal indirect . . . 0.25144953 DSS H 1 'methyl protons' ppm 0.000 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.000 internal indirect . . . 0.10132912 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCACB' '3D CBCA(CO)NH' '3D HNCA' '3D HN(CO)CA' '3D 1H-15N TOCSY' '3D HNHA' '3D HNCO' '3D 1H-15N NOESY' '3D HCCH-TOCSY' '3D 1H-13C NOESY aromatic' '3D 1H-13C NOESY aliphatic' '2D 1H-15N IPAP-HSQC' stop_ loop_ _Sample_label $sample_1 $sample_3 $sample_2 $sample_4 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_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 1 502 3 ARG H H 8.37 0.024 1 2 502 3 ARG HA H 4.681 0 1 3 502 3 ARG N N 125.216 0.05 1 4 507 8 TRP HD1 H 7.26 0.001 1 5 507 8 TRP HE1 H 10.104 0.012 1 6 507 8 TRP HE3 H 7.005 0.008 1 7 507 8 TRP HZ2 H 7.532 0.006 1 8 507 8 TRP HH2 H 7.255 0.004 1 9 507 8 TRP CD1 C 125.521 0.075 1 10 507 8 TRP CE3 C 120.627 0.086 1 11 507 8 TRP CZ2 C 113.967 0.062 1 12 507 8 TRP CH2 C 123.63 0.076 1 13 507 8 TRP NE1 N 129.485 0 1 14 508 9 MET HE H 1.956 0 1 15 508 9 MET CE C 16.747 0 1 16 512 13 THR H H 7.093 0.012 1 17 512 13 THR HA H 4.019 0.013 1 18 512 13 THR HB H 4.269 0.01 1 19 512 13 THR HG2 H 1.318 0.015 1 20 512 13 THR C C 176.3 0.021 1 21 512 13 THR CA C 66.419 0.049 1 22 512 13 THR CB C 68.606 0.053 1 23 512 13 THR CG2 C 22.088 0.069 1 24 512 13 THR N N 114.769 0.041 1 25 513 14 LEU H H 7.103 0.011 1 26 513 14 LEU HA H 4.062 0.011 1 27 513 14 LEU HB2 H 2.148 0.009 2 28 513 14 LEU HB3 H 1.487 0.012 2 29 513 14 LEU C C 178.446 0.014 1 30 513 14 LEU CA C 58.158 0.068 1 31 513 14 LEU CB C 41.339 0.072 1 32 513 14 LEU N N 123.533 0.041 1 33 514 15 PHE H H 8.383 0.013 1 34 514 15 PHE HA H 4.43 0.01 1 35 514 15 PHE HB2 H 3.27 0.011 2 36 514 15 PHE HB3 H 3.068 0.015 2 37 514 15 PHE HD1 H 6.922 0.006 1 38 514 15 PHE HD2 H 6.922 0.006 1 39 514 15 PHE C C 177.982 0.002 1 40 514 15 PHE CA C 57.177 0.066 1 41 514 15 PHE CB C 36.513 0.047 1 42 514 15 PHE CD1 C 128.637 0.061 1 43 514 15 PHE N N 117.087 0.029 1 44 515 16 ALA H H 8.001 0.012 1 45 515 16 ALA HA H 4.178 0.011 1 46 515 16 ALA HB H 1.567 0.011 1 47 515 16 ALA C C 180.112 0.01 1 48 515 16 ALA CA C 55.036 0.066 1 49 515 16 ALA CB C 17.944 0.04 1 50 515 16 ALA N N 120.156 0.105 1 51 516 17 ALA H H 7.359 0.016 1 52 516 17 ALA HA H 4.397 0.011 1 53 516 17 ALA HB H 1.599 0.013 1 54 516 17 ALA C C 180.257 0.006 1 55 516 17 ALA CA C 54.53 0.088 1 56 516 17 ALA CB C 19.601 0.025 1 57 516 17 ALA N N 119.27 0.027 1 58 517 18 ILE H H 8.163 0.013 1 59 517 18 ILE HA H 4.148 0.017 1 60 517 18 ILE HB H 2.103 0.016 1 61 517 18 ILE HG2 H 0.969 0.016 1 62 517 18 ILE HD1 H 0.84 0.019 1 63 517 18 ILE C C 178.088 0.019 1 64 517 18 ILE CA C 63.46 0.046 1 65 517 18 ILE CB C 38.729 0.044 1 66 517 18 ILE CG2 C 18.113 0.028 1 67 517 18 ILE CD1 C 14.197 0.022 1 68 517 18 ILE N N 112.903 0.08 1 69 518 19 SER H H 7.961 0.013 1 70 518 19 SER HA H 4.247 0.006 1 71 518 19 SER HB2 H 3.934 0.018 1 72 518 19 SER C C 175.125 0.046 1 73 518 19 SER CA C 61.977 0.109 1 74 518 19 SER CB C 62.999 0.052 1 75 518 19 SER N N 116.652 0.029 1 76 519 20 HIS H H 7.267 0.013 1 77 519 20 HIS HA H 4.735 0.019 1 78 519 20 HIS HB2 H 3.337 0.011 2 79 519 20 HIS HB3 H 3.14 0.01 2 80 519 20 HIS C C 176.041 0.065 1 81 519 20 HIS CB C 29.936 0.032 1 82 519 20 HIS N N 110.53 0.039 1 83 520 21 LYS H H 8.033 0.016 1 84 520 21 LYS HA H 4.517 0.024 1 85 520 21 LYS HB2 H 2.064 0.014 2 86 520 21 LYS HB3 H 1.687 0.016 2 87 520 21 LYS HG2 H 1.349 0.015 2 88 520 21 LYS HG3 H 1.234 0.016 2 89 520 21 LYS C C 175.583 0.003 1 90 520 21 LYS CA C 55.345 0.044 1 91 520 21 LYS CB C 35.144 0.028 1 92 520 21 LYS CG C 24.655 0.03 1 93 520 21 LYS N N 117.521 0.047 1 94 521 22 VAL H H 7.213 0.009 1 95 521 22 VAL HA H 4.47 0.014 1 96 521 22 VAL HB H 2.238 0.017 1 97 521 22 VAL HG1 H 0.94 0.011 2 98 521 22 VAL HG2 H 0.814 0.009 2 99 521 22 VAL C C 174.778 0.006 1 100 521 22 VAL CA C 59.889 0.033 1 101 521 22 VAL CB C 34.255 0.068 1 102 521 22 VAL CG1 C 22.041 0.019 2 103 521 22 VAL CG2 C 20.623 0.045 2 104 521 22 VAL N N 115.45 0.065 1 105 522 23 ALA H H 8.822 0.009 1 106 522 23 ALA HA H 4.313 0.017 1 107 522 23 ALA HB H 1.534 0.014 1 108 522 23 ALA C C 179.029 0.009 1 109 522 23 ALA CA C 52.121 0.049 1 110 522 23 ALA CB C 19.345 0.031 1 111 522 23 ALA N N 126.376 0.049 1 112 523 24 GLU H H 8.994 0.011 1 113 523 24 GLU HA H 3.919 0.014 1 114 523 24 GLU HB2 H 2.005 0.013 2 115 523 24 GLU HB3 H 2.087 0.017 2 116 523 24 GLU HG2 H 2.334 0.023 1 117 523 24 GLU C C 179.235 0.024 1 118 523 24 GLU CA C 60.336 0.036 1 119 523 24 GLU CB C 29.641 0.081 1 120 523 24 GLU CG C 36.38 0.072 1 121 523 24 GLU N N 123.216 0.049 1 122 524 25 ASN H H 8.925 0.013 1 123 524 25 ASN HA H 4.368 0.018 1 124 524 25 ASN HB2 H 2.735 0.01 1 125 524 25 ASN C C 177.489 0.012 1 126 524 25 ASN CA C 56.26 0.055 1 127 524 25 ASN CB C 37.831 0.028 1 128 524 25 ASN N N 114.953 0.051 1 129 525 26 ASP H H 7.048 0.01 1 130 525 26 ASP HA H 4.552 0.015 1 131 525 26 ASP HB2 H 2.254 0.017 2 132 525 26 ASP HB3 H 2.779 0.016 2 133 525 26 ASP C C 178.2 0.008 1 134 525 26 ASP CA C 57.17 0.045 1 135 525 26 ASP CB C 40.401 0.038 1 136 525 26 ASP N N 119.718 0.03 1 137 526 27 MET H H 7.733 0.013 1 138 526 27 MET HA H 4.362 0.012 1 139 526 27 MET HB2 H 2.005 0.011 1 140 526 27 MET HG2 H 2.486 0.013 2 141 526 27 MET HG3 H 2.506 0.015 2 142 526 27 MET HE H 1.766 0.007 1 143 526 27 MET C C 179.26 0.032 1 144 526 27 MET CA C 56.015 0.046 1 145 526 27 MET CB C 29.786 0.029 1 146 526 27 MET CG C 31.492 0.059 1 147 526 27 MET CE C 15.395 0.018 1 148 526 27 MET N N 118.877 0.047 1 149 527 28 LEU H H 7.81 0.014 1 150 527 28 LEU HA H 4.063 0.019 1 151 527 28 LEU HB2 H 1.908 0.02 2 152 527 28 LEU HB3 H 1.552 0.01 2 153 527 28 LEU HG H 1.91 0.006 1 154 527 28 LEU HD1 H 0.903 0.046 1 155 527 28 LEU C C 180.623 0.008 1 156 527 28 LEU CA C 58.57 0.046 1 157 527 28 LEU CB C 41.456 0.036 1 158 527 28 LEU CG C 26.392 0.064 1 159 527 28 LEU CD1 C 24.574 1.024 1 160 527 28 LEU N N 119.357 0.112 1 161 528 29 LEU H H 7.349 0.013 1 162 528 29 LEU HA H 4.059 0.012 1 163 528 29 LEU HB2 H 2.068 0.012 2 164 528 29 LEU HB3 H 1.565 0.009 2 165 528 29 LEU HD1 H 0.838 0.015 2 166 528 29 LEU HD2 H 0.936 0.018 2 167 528 29 LEU C C 179.409 0.006 1 168 528 29 LEU CA C 58.007 0.077 1 169 528 29 LEU CB C 41.549 0.057 1 170 528 29 LEU CD1 C 22.961 0.049 2 171 528 29 LEU CD2 C 25.539 0.039 2 172 528 29 LEU N N 120.871 0.029 1 173 529 30 ILE H H 7.956 0.015 1 174 529 30 ILE HA H 3.666 0.013 1 175 529 30 ILE HB H 1.668 0.016 1 176 529 30 ILE HG12 H 0.787 0.011 2 177 529 30 ILE HG13 H 1.811 0.017 2 178 529 30 ILE HG2 H 0.238 0.005 1 179 529 30 ILE HD1 H 0.635 0.01 1 180 529 30 ILE C C 178.156 0.003 1 181 529 30 ILE CA C 65.232 0.036 1 182 529 30 ILE CB C 38.242 0.039 1 183 529 30 ILE CG1 C 29.137 0.012 1 184 529 30 ILE CG2 C 16.361 0.022 1 185 529 30 ILE CD1 C 13.901 0.018 1 186 529 30 ILE N N 120.709 0.073 1 187 530 31 ASN H H 8.406 0.009 1 188 530 31 ASN HA H 4.301 0.009 1 189 530 31 ASN HB2 H 2.782 0.015 2 190 530 31 ASN HB3 H 2.724 0.012 2 191 530 31 ASN C C 178.13 0.007 1 192 530 31 ASN CA C 56.345 0.06 1 193 530 31 ASN CB C 38.374 0.08 1 194 530 31 ASN N N 117.05 0.026 1 195 531 32 ALA H H 7.942 0.015 1 196 531 32 ALA HA H 4.237 0.01 1 197 531 32 ALA HB H 1.547 0.016 1 198 531 32 ALA C C 178.148 0 1 199 531 32 ALA CA C 55.339 0.043 1 200 531 32 ALA CB C 17.942 0.052 1 201 531 32 ALA N N 123.719 0.08 1 202 532 33 ASP H H 8.158 0.016 1 203 532 33 ASP HA H 4.469 0.014 1 204 532 33 ASP HB2 H 3.101 0.012 2 205 532 33 ASP HB3 H 2.672 0.011 2 206 532 33 ASP C C 177.941 0.007 1 207 532 33 ASP CA C 57.532 0.054 1 208 532 33 ASP CB C 39.317 0.057 1 209 532 33 ASP N N 121.382 0.034 1 210 533 34 TYR H H 9.199 0.008 1 211 533 34 TYR HA H 3.587 0.011 1 212 533 34 TYR HB2 H 2.957 0.01 1 213 533 34 TYR HD1 H 6.527 0.008 1 214 533 34 TYR HD2 H 6.527 0.008 1 215 533 34 TYR HE1 H 6.556 0.008 1 216 533 34 TYR HE2 H 6.556 0.008 1 217 533 34 TYR C C 177.463 0 1 218 533 34 TYR CA C 60.375 0.018 1 219 533 34 TYR CB C 37.814 0.053 1 220 533 34 TYR CD1 C 131.701 0.082 1 221 533 34 TYR CE1 C 116.829 0.011 1 222 533 34 TYR N N 122.219 0.065 1 223 534 35 GLN H H 7.97 0.011 1 224 534 35 GLN HA H 3.643 0.012 1 225 534 35 GLN HB2 H 2.16 0.016 1 226 534 35 GLN HG2 H 2.414 0.01 1 227 534 35 GLN C C 178.17 0.008 1 228 534 35 GLN CA C 58.532 0.047 1 229 534 35 GLN CB C 27.718 0.047 1 230 534 35 GLN CG C 33.387 0.044 1 231 534 35 GLN N N 117.989 0.04 1 232 535 36 GLN H H 7.321 0.012 1 233 535 36 GLN HA H 4.054 0.011 1 234 535 36 GLN HB2 H 1.947 0.01 2 235 535 36 GLN HB3 H 2.549 0.022 2 236 535 36 GLN HG2 H 2.378 0.014 2 237 535 36 GLN HG3 H 2.648 0.003 2 238 535 36 GLN C C 178.69 0.02 1 239 535 36 GLN CA C 59.468 0.052 1 240 535 36 GLN CB C 28.891 0.052 1 241 535 36 GLN CG C 34.379 0.045 1 242 535 36 GLN N N 116.71 0.107 1 243 536 37 LEU H H 8.029 0.006 1 244 536 37 LEU HA H 4.212 0.016 1 245 536 37 LEU HB2 H 0.97 0.015 2 246 536 37 LEU HB3 H 1.836 0.01 2 247 536 37 LEU HG H 1.223 0.009 1 248 536 37 LEU HD1 H 0.655 0.165 1 249 536 37 LEU C C 180.843 0.019 1 250 536 37 LEU CA C 58.404 0.073 1 251 536 37 LEU CB C 41.076 0.04 1 252 536 37 LEU CG C 26.855 0.031 1 253 536 37 LEU CD1 C 24.698 1.04 1 254 536 37 LEU N N 122.794 0.033 1 255 537 38 ARG H H 8.341 0.008 1 256 537 38 ARG HA H 3.72 0.017 1 257 537 38 ARG HB2 H 1.606 0.016 2 258 537 38 ARG HB3 H 1.702 0.011 2 259 537 38 ARG HG2 H 1.081 0.02 2 260 537 38 ARG HG3 H 1.126 0.013 2 261 537 38 ARG HD2 H 2.832 0.005 2 262 537 38 ARG HD3 H 2.962 0.016 2 263 537 38 ARG C C 178.026 0.018 1 264 537 38 ARG CA C 59.181 0.069 1 265 537 38 ARG CB C 29.117 0.08 1 266 537 38 ARG CG C 26.668 0.039 1 267 537 38 ARG CD C 42.909 0.067 1 268 537 38 ARG N N 121.689 0.057 1 269 538 39 ASP H H 7.774 0.01 1 270 538 39 ASP HA H 4.688 0.013 1 271 538 39 ASP HB2 H 2.844 0.011 2 272 538 39 ASP HB3 H 2.575 0.013 2 273 538 39 ASP C C 174.94 0.008 1 274 538 39 ASP CA C 54.398 0.101 1 275 538 39 ASP CB C 40.889 0.052 1 276 538 39 ASP N N 117.663 0.065 1 277 539 40 LYS H H 8.099 0.009 1 278 539 40 LYS HA H 4.127 0.019 1 279 539 40 LYS HB2 H 2.144 0.019 2 280 539 40 LYS HB3 H 2.056 0.023 2 281 539 40 LYS HG2 H 1.41 0.015 1 282 539 40 LYS HD2 H 1.756 0.007 1 283 539 40 LYS HE2 H 3.049 0.006 1 284 539 40 LYS C C 176.528 0.022 1 285 539 40 LYS CA C 57.629 0.035 1 286 539 40 LYS CB C 28.499 0.067 1 287 539 40 LYS CG C 25.212 0.014 1 288 539 40 LYS CD C 29.195 0.016 1 289 539 40 LYS CE C 42.284 0.052 1 290 539 40 LYS N N 114.023 0.039 1 291 540 41 LYS H H 8.565 0.009 1 292 540 41 LYS HA H 4.364 0.013 1 293 540 41 LYS HB2 H 1.606 0.015 2 294 540 41 LYS HB3 H 2.064 0.016 2 295 540 41 LYS HG2 H 1.374 0.015 2 296 540 41 LYS HG3 H 1.499 0.015 2 297 540 41 LYS HD2 H 1.686 0.017 1 298 540 41 LYS HE2 H 3 0.012 1 299 540 41 LYS C C 175.748 0.019 1 300 540 41 LYS CA C 55.976 0.094 1 301 540 41 LYS CB C 33.404 0.032 1 302 540 41 LYS CG C 25.212 0.03 1 303 540 41 LYS CD C 28.96 0.025 1 304 540 41 LYS CE C 42.16 0.049 1 305 540 41 LYS N N 116.722 0.032 1 306 541 42 MET H H 7.334 0.008 1 307 541 42 MET HA H 4.674 0.014 1 308 541 42 MET HB2 H 2.082 0.018 2 309 541 42 MET HB3 H 1.754 0.012 2 310 541 42 MET HG2 H 2.527 0.009 1 311 541 42 MET HE H 2.087 0.01 1 312 541 42 MET C C 174.505 0.008 1 313 541 42 MET CA C 54.249 0.021 1 314 541 42 MET CB C 37.323 0.033 1 315 541 42 MET CG C 30.449 0.047 1 316 541 42 MET CE C 16.597 0.022 1 317 541 42 MET N N 117.121 0.08 1 318 542 43 THR H H 8.737 0.013 1 319 542 43 THR HA H 4.493 0.019 1 320 542 43 THR HB H 4.764 0.008 1 321 542 43 THR HG2 H 1.345 0.015 1 322 542 43 THR C C 175.637 0.033 1 323 542 43 THR CA C 60.833 0.039 1 324 542 43 THR CB C 71.269 0.023 1 325 542 43 THR CG2 C 21.903 0.009 1 326 542 43 THR N N 113.465 0.024 1 327 543 44 ARG H H 9.073 0.012 1 328 543 44 ARG HA H 4.079 0.006 1 329 543 44 ARG HB2 H 2.154 0.008 2 330 543 44 ARG HB3 H 1.968 0.022 2 331 543 44 ARG HD2 H 3.181 0.001 1 332 543 44 ARG C C 177.833 0.002 1 333 543 44 ARG CA C 60.564 0.023 1 334 543 44 ARG CB C 29.919 0.075 1 335 543 44 ARG CD C 43.498 0.002 1 336 543 44 ARG N N 122.366 0.042 1 337 544 45 ALA H H 8.512 0.01 1 338 544 45 ALA HA H 4.142 0.014 1 339 544 45 ALA HB H 1.46 0.015 1 340 544 45 ALA C C 177.911 0.056 1 341 544 45 ALA CA C 55.262 0.049 1 342 544 45 ALA CB C 18.297 0.046 1 343 544 45 ALA N N 119.439 0.033 1 344 545 46 GLU H H 7.805 0.012 1 345 545 46 GLU HA H 4.025 0.019 1 346 545 46 GLU HB2 H 2.489 0.017 2 347 545 46 GLU HB3 H 1.906 0.021 2 348 545 46 GLU C C 178.235 0.022 1 349 545 46 GLU CA C 58.687 0.048 1 350 545 46 GLU CB C 31.144 0.045 1 351 545 46 GLU N N 119.336 0.093 1 352 546 47 PHE H H 8.474 0.009 1 353 546 47 PHE HA H 4.139 0.029 1 354 546 47 PHE HB2 H 3.181 0.013 1 355 546 47 PHE HD1 H 7.01 0.006 1 356 546 47 PHE HD2 H 7.01 0.006 1 357 546 47 PHE C C 176.65 0.047 1 358 546 47 PHE CA C 62.516 0.065 1 359 546 47 PHE CB C 39.771 0.064 1 360 546 47 PHE N N 120.901 0.039 1 361 547 48 VAL H H 8.739 0.012 1 362 547 48 VAL HA H 3.207 0.019 1 363 547 48 VAL HB H 2.141 0.021 1 364 547 48 VAL HG1 H 0.881 0.011 2 365 547 48 VAL HG2 H 1.231 0.001 2 366 547 48 VAL C C 177.34 0.017 1 367 547 48 VAL CA C 67.186 0.055 1 368 547 48 VAL CB C 31.462 0.035 1 369 547 48 VAL CG1 C 21.758 0.014 2 370 547 48 VAL CG2 C 23.534 0.01 2 371 547 48 VAL N N 118.622 0.035 1 372 548 49 ARG H H 7.679 0.009 1 373 548 49 ARG HA H 3.815 0.01 1 374 548 49 ARG HB2 H 1.921 0.012 1 375 548 49 ARG HG2 H 1.555 0.015 2 376 548 49 ARG HG3 H 1.73 0.017 2 377 548 49 ARG HD2 H 3.191 0.008 1 378 548 49 ARG C C 179.053 0.013 1 379 548 49 ARG CA C 60.138 0.076 1 380 548 49 ARG CB C 29.889 0.025 1 381 548 49 ARG CG C 27.502 0.062 1 382 548 49 ARG CD C 43.421 0.039 1 383 548 49 ARG N N 119.211 0.027 1 384 549 50 LYS H H 7.802 0.006 1 385 549 50 LYS HA H 3.778 0.008 1 386 549 50 LYS HB2 H 1.742 0.016 2 387 549 50 LYS HB3 H 2.153 0.009 2 388 549 50 LYS HG2 H 1.369 0.005 2 389 549 50 LYS HG3 H 1.64 0.016 2 390 549 50 LYS HD2 H 1.672 0.02 2 391 549 50 LYS HD3 H 1.511 0.006 2 392 549 50 LYS HE2 H 2.935 0.016 1 393 549 50 LYS C C 178.725 0.015 1 394 549 50 LYS CA C 59.42 0.041 1 395 549 50 LYS CB C 31.872 0.127 1 396 549 50 LYS CG C 25.285 0.066 1 397 549 50 LYS CD C 28.153 0.09 1 398 549 50 LYS CE C 41.668 0.049 1 399 549 50 LYS N N 119.127 0.102 1 400 550 51 LEU H H 8.377 0.009 1 401 550 51 LEU HA H 3.709 0.011 1 402 550 51 LEU HB2 H 1.634 0.019 2 403 550 51 LEU HB3 H 0.974 0.015 2 404 550 51 LEU HG H 1.35 0.02 1 405 550 51 LEU HD1 H 0.771 0.018 1 406 550 51 LEU C C 178.791 0.017 1 407 550 51 LEU CA C 57.865 0.044 1 408 550 51 LEU CB C 42.159 0.045 1 409 550 51 LEU CG C 26.404 0.009 1 410 550 51 LEU CD1 C 24.749 0.08 1 411 550 51 LEU N N 121.55 0.043 1 412 551 52 ARG H H 8.169 0.014 1 413 551 52 ARG HA H 3.598 0.014 1 414 551 52 ARG HB2 H 1.834 0.014 2 415 551 52 ARG HB3 H 2.17 0.016 2 416 551 52 ARG HG2 H 1.43 0.009 2 417 551 52 ARG HG3 H 1.918 0.003 2 418 551 52 ARG HD2 H 2.912 0.014 2 419 551 52 ARG HD3 H 2.926 0.016 2 420 551 52 ARG C C 179.471 0.02 1 421 551 52 ARG CA C 60.27 0.047 1 422 551 52 ARG CB C 31.064 0.068 1 423 551 52 ARG CG C 26.918 0.042 1 424 551 52 ARG CD C 44.679 0.053 1 425 551 52 ARG N N 117.023 0.047 1 426 552 53 VAL H H 7.519 0.011 1 427 552 53 VAL HA H 3.632 0.014 1 428 552 53 VAL HB H 2.158 0.015 1 429 552 53 VAL HG1 H 0.893 0.009 2 430 552 53 VAL HG2 H 1.059 0.011 2 431 552 53 VAL C C 178.031 0.009 1 432 552 53 VAL CA C 66.094 0.038 1 433 552 53 VAL CB C 31.697 0.101 1 434 552 53 VAL CG1 C 21.236 0.012 2 435 552 53 VAL CG2 C 22.818 0.021 2 436 552 53 VAL N N 119.144 0.028 1 437 553 54 ILE H H 7.802 0.011 1 438 553 54 ILE HA H 3.699 0.014 1 439 553 54 ILE HB H 1.599 0.017 1 440 553 54 ILE HG12 H 0.974 0.017 1 441 553 54 ILE HG2 H 0.831 0.005 1 442 553 54 ILE HD1 H 0.76 0.017 1 443 553 54 ILE C C 177.607 0.01 1 444 553 54 ILE CA C 64.878 0.026 1 445 553 54 ILE CB C 39.143 0.055 1 446 553 54 ILE CG1 C 29.15 0.009 1 447 553 54 ILE CG2 C 17.332 0.037 1 448 553 54 ILE CD1 C 13.925 0.016 1 449 553 54 ILE N N 118.953 0.064 1 450 554 55 VAL H H 8.37 0.01 1 451 554 55 VAL HA H 3.895 0.015 1 452 554 55 VAL HB H 2.06 0.015 1 453 554 55 VAL HG1 H 0.954 0.009 2 454 554 55 VAL HG2 H 0.795 0.011 2 455 554 55 VAL C C 176.563 0.004 1 456 554 55 VAL CA C 64.151 0.051 1 457 554 55 VAL CB C 32.923 0.044 1 458 554 55 VAL CG1 C 23.062 0.027 1 459 554 55 VAL N N 114.738 0.026 1 460 555 56 GLY H H 7.5 0.01 1 461 555 56 GLY HA2 H 4.492 0.016 2 462 555 56 GLY HA3 H 3.849 0.017 2 463 555 56 GLY CA C 44.275 0.053 1 464 555 56 GLY N N 108.91 0.04 1 465 556 57 ASP H H 8.288 0.01 1 466 556 57 ASP HA H 4.242 0.01 1 467 556 57 ASP HB2 H 2.596 0.016 2 468 556 57 ASP HB3 H 2.628 0.013 2 469 556 57 ASP C C 178.249 0.031 1 470 556 57 ASP CA C 57.847 0.042 1 471 556 57 ASP CB C 40.578 0.057 1 472 556 57 ASP N N 122.982 0.053 1 473 557 58 ASP H H 8.419 0.012 1 474 557 58 ASP HA H 4.343 0.018 1 475 557 58 ASP HB2 H 2.638 0.014 1 476 557 58 ASP C C 178.877 0.007 1 477 557 58 ASP CA C 57.762 0.02 1 478 557 58 ASP CB C 40.339 0.019 1 479 557 58 ASP N N 118.345 0.042 1 480 558 59 LEU H H 8.428 0.009 1 481 558 59 LEU HA H 4.301 0.019 1 482 558 59 LEU HB2 H 1.643 0.012 2 483 558 59 LEU HB3 H 1.672 0.012 2 484 558 59 LEU HG H 1.373 0.01 1 485 558 59 LEU HD1 H 0.952 0.008 2 486 558 59 LEU HD2 H 0.93 0.006 2 487 558 59 LEU C C 180.874 0.021 1 488 558 59 LEU CA C 56.249 0.017 1 489 558 59 LEU CB C 40.926 0.038 1 490 558 59 LEU CG C 27.605 0.023 1 491 558 59 LEU CD1 C 23.797 0.03 2 492 558 59 LEU CD2 C 25.847 0.009 2 493 558 59 LEU N N 121.923 0.049 1 494 559 60 LEU H H 8 0.012 1 495 559 60 LEU HA H 3.865 0.016 1 496 559 60 LEU HB2 H 1.835 0.011 2 497 559 60 LEU HB3 H 1.462 0.011 2 498 559 60 LEU HG H 1.679 0.022 1 499 559 60 LEU HD1 H 0.762 0.018 2 500 559 60 LEU HD2 H 0.807 0 2 501 559 60 LEU C C 177.581 0.012 1 502 559 60 LEU CA C 58.693 0.03 1 503 559 60 LEU CB C 42.078 0.095 1 504 559 60 LEU CD1 C 24.501 0.008 2 505 559 60 LEU CD2 C 25.578 0 2 506 559 60 LEU N N 122.219 0.034 1 507 560 61 ARG H H 8.762 0.008 1 508 560 61 ARG HA H 3.626 0.015 1 509 560 61 ARG HB2 H 1.958 0.011 1 510 560 61 ARG HG2 H 1.526 0.016 1 511 560 61 ARG HD2 H 3.217 0.007 2 512 560 61 ARG HD3 H 3.269 0.018 2 513 560 61 ARG C C 179.286 0.012 1 514 560 61 ARG CA C 60.538 0.037 1 515 560 61 ARG CB C 30.416 0.06 1 516 560 61 ARG CG C 28.081 0.058 1 517 560 61 ARG CD C 43.28 0.02 1 518 560 61 ARG N N 119 0.054 1 519 561 62 SER H H 8.462 0.014 1 520 561 62 SER HA H 4.183 0.015 1 521 561 62 SER HB2 H 3.982 0.008 1 522 561 62 SER C C 177.127 0.005 1 523 561 62 SER CA C 61.393 0.113 1 524 561 62 SER CB C 62.68 0.063 1 525 561 62 SER N N 114.865 0.043 1 526 562 63 THR H H 8.155 0.011 1 527 562 63 THR HA H 3.943 0.011 1 528 562 63 THR HB H 4.154 0.009 1 529 562 63 THR HG2 H 1.178 0.01 1 530 562 63 THR C C 176.202 0.005 1 531 562 63 THR CA C 67.367 0.066 1 532 562 63 THR CB C 68.322 0.104 1 533 562 63 THR CG2 C 21.882 0.047 1 534 562 63 THR N N 119.14 0.03 1 535 563 64 ILE H H 8.406 0.01 1 536 563 64 ILE HA H 3.554 0.018 1 537 563 64 ILE HB H 1.914 0.021 1 538 563 64 ILE HG12 H 1.06 0.008 2 539 563 64 ILE HG13 H 1.797 0.012 2 540 563 64 ILE HG2 H 0.876 0.021 1 541 563 64 ILE HD1 H 0.799 0.011 1 542 563 64 ILE C C 177.226 0.006 1 543 563 64 ILE CA C 66.047 0.028 1 544 563 64 ILE CB C 37.604 0.067 1 545 563 64 ILE CG1 C 30.235 0.024 1 546 563 64 ILE CG2 C 18.631 0.017 1 547 563 64 ILE CD1 C 14.112 0.014 1 548 563 64 ILE N N 120.899 0.038 1 549 564 65 THR H H 8.075 0.014 1 550 564 65 THR HA H 3.993 0.011 1 551 564 65 THR HB H 4.286 0.008 1 552 564 65 THR HG2 H 1.254 0.021 1 553 564 65 THR C C 176.917 0.001 1 554 564 65 THR CA C 66.79 0.054 1 555 564 65 THR CB C 68.49 0.051 1 556 564 65 THR CG2 C 21.6 0.084 1 557 564 65 THR N N 113.939 0.05 1 558 565 66 THR H H 7.806 0.011 1 559 565 66 THR HA H 4.067 0.019 1 560 565 66 THR HB H 4.369 0.014 1 561 565 66 THR HG2 H 1.268 0.018 1 562 565 66 THR C C 176.724 0.007 1 563 565 66 THR CA C 66.364 0.078 1 564 565 66 THR CB C 68.86 0.065 1 565 565 66 THR CG2 C 21.69 0.054 1 566 565 66 THR N N 117.596 0.094 1 567 566 67 LEU H H 7.964 0.01 1 568 566 67 LEU HA H 4.082 0.018 1 569 566 67 LEU HB2 H 1.935 0.015 2 570 566 67 LEU HB3 H 1.456 0.007 2 571 566 67 LEU HG H 1.86 0.013 1 572 566 67 LEU HD1 H 0.85 0.007 1 573 566 67 LEU C C 179.198 0.008 1 574 566 67 LEU CA C 57.523 0.044 1 575 566 67 LEU CB C 42.498 0.056 1 576 566 67 LEU CG C 26.843 0.036 1 577 566 67 LEU CD1 C 23.109 0.067 1 578 566 67 LEU N N 121.681 0.03 1 579 567 68 GLN H H 8.14 0.009 1 580 567 68 GLN HA H 4.157 0.021 1 581 567 68 GLN HB2 H 2.073 0.011 2 582 567 68 GLN HB3 H 2.123 0.007 2 583 567 68 GLN HG2 H 2.228 0.016 2 584 567 68 GLN HG3 H 2.44 0.013 2 585 567 68 GLN HE21 H 7.552 0.011 1 586 567 68 GLN C C 176.462 0.013 1 587 567 68 GLN CA C 57.489 0.032 1 588 567 68 GLN CB C 29.746 0.046 1 589 567 68 GLN CG C 34.342 0.029 1 590 567 68 GLN N N 116.939 0.025 1 591 568 69 ASN H H 7.693 0.011 1 592 568 69 ASN HA H 4.748 0.016 1 593 568 69 ASN HB2 H 2.761 0.02 2 594 568 69 ASN HB3 H 2.886 0.012 2 595 568 69 ASN C C 174.844 0.003 1 596 568 69 ASN CA C 53.246 0.045 1 597 568 69 ASN CB C 39.268 0.12 1 598 568 69 ASN N N 116.868 0.027 1 599 569 70 GLN H H 7.84 0.013 1 600 569 70 GLN HA H 4.589 0.016 1 601 569 70 GLN HB2 H 2.036 0.014 2 602 569 70 GLN HB3 H 2.116 0.011 2 603 569 70 GLN HG2 H 2.464 0.007 1 604 569 70 GLN C C 173.907 0 1 605 569 70 GLN CA C 54.24 0.049 1 606 569 70 GLN CB C 28.8 0.032 1 607 569 70 GLN CG C 33.529 0.064 1 608 569 70 GLN N N 121.197 0.026 1 stop_ save_