data_25649 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Human Brd4 ET domain in complex with MLV Integrase C-term ; _BMRB_accession_number 25649 _BMRB_flat_file_name bmr25649.str _Entry_type original _Submission_date 2015-06-03 _Accession_date 2015-06-03 _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 Crowe Brandon L. . 2 Foster Mark P. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 449 "13C chemical shifts" 354 "15N chemical shifts" 86 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-02-29 update BMRB 'update entry citation' 2016-02-29 original author 'original release' stop_ _Original_release_date 2016-02-29 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structure of the Brd4 ET domain bound to a C-terminal motif from gamma-retroviral integrases reveals a conserved mechanism of interaction ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 26858406 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Crowe Brandon L. . 2 Larue Ross C. . 3 Yuan Chunhua . . 4 Kvaratskhelia Mamuka . . 5 Foster Mark P. . stop_ _Journal_abbreviation 'Proc. Natl. Acad. Sci. U. S. A.' _Journal_volume 113 _Journal_issue 8 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 2086 _Page_last 2091 _Year 2016 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Human Brd4 ET domain in complex with MLV Integrase C-term' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $Brd4_ET entity_2 $MLV_IN_EBM 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_Brd4_ET _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Brd4_ET _Molecular_mass 9291.632 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 86 _Mol_residue_sequence ; GAIAMESEEEDKCKPMSYEE KRQLSLDINKLPGEKLGRVV HIIQSREPSLKNSNPDEIEI DFETLKPSTLRELERYVTSC LRKKTR ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -4 GLY 2 -3 ALA 3 -2 ILE 4 -1 ALA 5 0 MET 6 600 GLU 7 601 SER 8 602 GLU 9 603 GLU 10 604 GLU 11 605 ASP 12 606 LYS 13 607 CYS 14 608 LYS 15 609 PRO 16 610 MET 17 611 SER 18 612 TYR 19 613 GLU 20 614 GLU 21 615 LYS 22 616 ARG 23 617 GLN 24 618 LEU 25 619 SER 26 620 LEU 27 621 ASP 28 622 ILE 29 623 ASN 30 624 LYS 31 625 LEU 32 626 PRO 33 627 GLY 34 628 GLU 35 629 LYS 36 630 LEU 37 631 GLY 38 632 ARG 39 633 VAL 40 634 VAL 41 635 HIS 42 636 ILE 43 637 ILE 44 638 GLN 45 639 SER 46 640 ARG 47 641 GLU 48 642 PRO 49 643 SER 50 644 LEU 51 645 LYS 52 646 ASN 53 647 SER 54 648 ASN 55 649 PRO 56 650 ASP 57 651 GLU 58 652 ILE 59 653 GLU 60 654 ILE 61 655 ASP 62 656 PHE 63 657 GLU 64 658 THR 65 659 LEU 66 660 LYS 67 661 PRO 68 662 SER 69 663 THR 70 664 LEU 71 665 ARG 72 666 GLU 73 667 LEU 74 668 GLU 75 669 ARG 76 670 TYR 77 671 VAL 78 672 THR 79 673 SER 80 674 CYS 81 675 LEU 82 676 ARG 83 677 LYS 84 678 LYS 85 679 THR 86 680 ARG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . 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 NCBI NP_490597.1 BRD4 . . . . . stop_ save_ save_MLV_IN_EBM _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common MLV_IN_EBM _Molecular_mass 2157.567 _Mol_thiol_state 'not present' _Details . _Residue_count 17 _Mol_residue_sequence ; TWRVQRSQNPLKIRLTR ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 389 THR 2 390 TRP 3 391 ARG 4 392 VAL 5 393 GLN 6 394 ARG 7 395 SER 8 396 GLN 9 397 ASN 10 398 PRO 11 399 LEU 12 400 LYS 13 401 ILE 14 402 ARG 15 403 LEU 16 404 THR 17 405 ARG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . 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 GB AAC58562.1 integrase . . . . . UNP O10624 integrase . . . . . stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _ICTVdb_decimal_code _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic _Details $Brd4_ET Human . 9606 Eukaryota Metazoa . . BRD4 ; Bromodomain-containing Protein 4 (BRD4) Extraterminal (ET) Domain Residues 600-678 native sequence ; $MLV_IN_EBM . Viruses 11786 . Gammaretrovirus . . Integrase ; Murine Leukemia Virus (MLV) Integrase (IN) residues 389-405 of native sequence ; 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 _Details $Brd4_ET 'recombinant technology' . . . BL21(DE3) pEX-N-His 'Cloned in to SgfI and MluI site to make construct with N-term 6x his-tag and TEV protease site.' $MLV_IN_EBM 'obtained from a vendor' . . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_U13C-15NBrd4_MLV_in_H2O _Saveframe_category sample _Sample_type solution _Details ; Brd4 ET with MLV IN water ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $Brd4_ET . mM 0.4 0.8 '[U-99% 13C; U-99% 15N]' $MLV_IN_EBM . mM 0.4 0.8 'natural abundance' TRIS 20 mM . . [U-2H] 'sodium chloride' 100 mM . . 'natural abundance' 'sodium azide' 0.002 '% v/v' . . 'natural abundance' DSS 0.5 mM . . 'natural abundance' DTT 2 mM . . [U-2H] H2O 90 % . . 'natural abundance' D2O 10 % . . 'natural abundance' stop_ save_ save_U13C-15NBrd4_MLV_in_D2O _Saveframe_category sample _Sample_type solution _Details ; Brd4 ET with MLV IN D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $Brd4_ET . mM 0.4 0.8 '[U-99% 13C; U-99% 15N]' $MLV_IN_EBM . mM 0.4 0.8 'natural abundance' TRIS 20 mM . . [U-2H] 'sodium chloride' 100 mM . . 'natural abundance' 'sodium azide' 0.002 '% v/v' . . 'natural abundance' DSS 0.5 mM . . 'natural abundance' DTT 2 mM . . [U-2H] D2O 100 % . . 'natural abundance' stop_ save_ save_U15NBrd4_MLV_in_H2O _Saveframe_category sample _Sample_type solution _Details ; U15N Brd4 ET with MLV IN water ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $Brd4_ET . mM 0.4 0.8 '[U-99% 15N]' $MLV_IN_EBM . mM 0.4 0.8 'natural abundance' TRIS 20 mM . . [U-2H] 'sodium chloride' 100 mM . . 'natural abundance' 'sodium azide' 0.002 '% v/v' . . 'natural abundance' DSS 0.5 mM . . 'natural abundance' DTT 2 mM . . [U-2H] H2O 90 % . . 'natural abundance' D2O 10 % . . 'natural abundance' stop_ save_ save_U15NBrd4_free _Saveframe_category sample _Sample_type solution _Details 'Brd4 ET free in water' loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $Brd4_ET . mM 0.4 0.8 '[U-99% 15N]' TRIS 20 mM . . [U-2H] 'sodium chloride' 100 mM . . 'natural abundance' 'sodium azide' 0.002 '% v/v' . . 'natural abundance' DSS 0.5 mM . . 'natural abundance' DTT 2 mM . . [U-2H] H2O 90 % . . 'natural abundance' D2O 10 % . . 'natural abundance' stop_ save_ save_MLV_IN_EBM_in_H2O _Saveframe_category sample _Sample_type solution _Details 'MLV IN EBM in water' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $MLV_IN_EBM 1 mM 'natural abundance' DSS 0.5 mM 'natural abundance' 'sodium azide' 0.002 '% v/v' 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Saveframe_category software _Name xwinnmr _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ 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_NMRViewJ _Saveframe_category software _Name NMRViewJ _Version 8.1.17 loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ save_PINE _Saveframe_category software _Name PINE _Version . loop_ _Vendor _Address _Electronic_address 'Bahrami, Markley, Assadi, and Eghbalnia' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_TALOS-N _Saveframe_category software _Name TALOS-N _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 3.97 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ save_PSVS _Saveframe_category software _Name PSVS _Version . loop_ _Vendor _Address _Electronic_address 'Bhattacharya and Montelione' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'Avance III HD Ultrashield' _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'Avance III HD Ascend' _Field_strength 700 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'Avance III HD' _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $U15NBrd4_free save_ save_2D_1H-15N_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $U15NBrd4_MLV_in_H2O save_ save_2D_1H-15N_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $U13C-15NBrd4_MLV_in_H2O save_ save_2D_1H-13C_HSQC_aliphatic_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $U13C-15NBrd4_MLV_in_H2O save_ save_2D_1H-13C_HSQC_aliphatic_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $U13C-15NBrd4_MLV_in_D2O save_ save_1D_13C,15N-filtered_watergate_1H_6 _Saveframe_category NMR_applied_experiment _Experiment_name '1D 13C,15N-filtered watergate 1H' _Sample_label $MLV_IN_EBM_in_H2O save_ save_1D_13C,15N-filtered_watergate_1H_7 _Saveframe_category NMR_applied_experiment _Experiment_name '1D 13C,15N-filtered watergate 1H' _Sample_label $U13C-15NBrd4_MLV_in_H2O save_ save_3D_HNCO_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $U13C-15NBrd4_MLV_in_H2O save_ save_3D_HNCA_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $U13C-15NBrd4_MLV_in_H2O save_ save_3D_HNCACB_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $U13C-15NBrd4_MLV_in_H2O save_ save_3D_CBCA(CO)NH_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $U13C-15NBrd4_MLV_in_H2O save_ save_3D_HBHA(CO)NH_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $U13C-15NBrd4_MLV_in_H2O save_ save_3D_HCCH-TOCSY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $U13C-15NBrd4_MLV_in_H2O save_ save_3D_CC(CO)NH-TOCSY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CC(CO)NH-TOCSY' _Sample_label $U13C-15NBrd4_MLV_in_H2O save_ save_2D_13C,15N-filtered_1H-1H_COSY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 13C,15N-filtered 1H-1H COSY' _Sample_label $U13C-15NBrd4_MLV_in_H2O save_ save_2D_13C,15N-filtered_1H-1H_TOCSY_16 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 13C,15N-filtered 1H-1H TOCSY' _Sample_label $U13C-15NBrd4_MLV_in_H2O save_ save_2D_13C,15N-filtered_1H-1H_NOESY_17 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 13C,15N-filtered 1H-1H NOESY' _Sample_label $U13C-15NBrd4_MLV_in_H2O save_ save_2D_13C,15N-filtered_1H-1H_COSY_18 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 13C,15N-filtered 1H-1H COSY' _Sample_label $U13C-15NBrd4_MLV_in_D2O save_ save_2D_13C,15N-filtered_1H-1H_TOCSY_19 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 13C,15N-filtered 1H-1H TOCSY' _Sample_label $U13C-15NBrd4_MLV_in_D2O save_ save_2D_13C,15N-filtered_1H-1H_NOESY_20 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 13C,15N-filtered 1H-1H NOESY' _Sample_label $U13C-15NBrd4_MLV_in_D2O save_ save_3D_1H-15N_NOESY_21 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $U13C-15NBrd4_MLV_in_H2O save_ save_3D_1H-13C_NOESY_aliphatic_22 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $U13C-15NBrd4_MLV_in_H2O save_ save_3D_1H-13C_NOESY_aliphatic_23 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $U13C-15NBrd4_MLV_in_D2O save_ save_3D_13C,15N-filtered(f1)_1H-15N(f2)_NOESY_24 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C,15N-filtered(f1) 1H-15N(f2) NOESY' _Sample_label $U13C-15NBrd4_MLV_in_H2O save_ save_3D_13C,15N-filtered(f1)_1H-13C(f2)_NOESY_aliphatic_25 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C,15N-filtered(f1) 1H-13C(f2) NOESY aliphatic' _Sample_label $U13C-15NBrd4_MLV_in_D2O save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details 'normal conditions used' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.25 . M pH 7.0 . pH pressure 1 . atm temperature 298 . 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_ _Software_label $NMRViewJ $PINE stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC aliphatic' '3D HNCO' '3D HNCA' '3D HNCACB' '3D CBCA(CO)NH' '3D HBHA(CO)NH' '3D HCCH-TOCSY' '3D CC(CO)NH-TOCSY' '2D 13C,15N-filtered 1H-1H COSY' '2D 13C,15N-filtered 1H-1H TOCSY' '2D 13C,15N-filtered 1H-1H NOESY' stop_ loop_ _Sample_label $U13C-15NBrd4_MLV_in_H2O $U13C-15NBrd4_MLV_in_D2O 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 -4 1 GLY HA2 H 3.873 0.05 2 2 -4 1 GLY C C 175.978 0.5 1 3 -4 1 GLY CA C 45.158 0.5 1 4 -4 1 GLY N N 109.419 0.5 1 5 -3 2 ALA H H 8.085 0.05 1 6 -3 2 ALA HA H 4.338 0.05 1 7 -3 2 ALA HB H 1.357 0.05 1 8 -3 2 ALA C C 175.398 0.5 1 9 -3 2 ALA CA C 52.43 0.5 1 10 -3 2 ALA CB C 19.34 0.5 1 11 -3 2 ALA N N 123.613 0.5 1 12 -2 3 ILE H H 8.061 0.05 1 13 -2 3 ILE HA H 4.121 0.05 1 14 -2 3 ILE HB H 1.829 0.05 1 15 -2 3 ILE HG12 H 1.46 0.05 2 16 -2 3 ILE HG2 H 0.911 0.05 1 17 -2 3 ILE HD1 H 0.857 0.05 1 18 -2 3 ILE C C 176.685 0.5 1 19 -2 3 ILE CA C 60.956 0.5 1 20 -2 3 ILE CB C 38.767 0.5 1 21 -2 3 ILE CG1 C 27.175 0.5 1 22 -2 3 ILE CG2 C 17.413 0.5 1 23 -2 3 ILE CD1 C 12.906 0.5 1 24 -2 3 ILE N N 119.933 0.5 1 25 -1 4 ALA H H 8.32 0.05 1 26 -1 4 ALA HA H 4.315 0.05 1 27 -1 4 ALA HB H 1.355 0.05 1 28 -1 4 ALA C C 173.773 0.5 1 29 -1 4 ALA CA C 52.345 0.5 1 30 -1 4 ALA CB C 19.204 0.5 1 31 -1 4 ALA N N 128.156 0.5 1 32 0 5 MET H H 8.331 0.05 1 33 0 5 MET HA H 4.447 0.05 1 34 0 5 MET HB2 H 2.061 0.05 2 35 0 5 MET HG2 H 2.602 0.05 2 36 0 5 MET C C 175.051 0.5 1 37 0 5 MET CA C 55.471 0.5 1 38 0 5 MET CB C 33.12 0.5 1 39 0 5 MET CG C 31.95 0.5 1 40 0 5 MET N N 120.268 0.5 1 41 600 6 GLU H H 8.496 0.05 1 42 600 6 GLU HA H 4.302 0.05 1 43 600 6 GLU C C 174.818 0.5 1 44 600 6 GLU CA C 56.843 0.5 1 45 600 6 GLU CB C 30.199 0.5 1 46 600 6 GLU CG C 36.191 0.5 1 47 600 6 GLU N N 122.181 0.5 1 48 601 7 SER H H 8.359 0.05 1 49 601 7 SER HA H 4.451 0.05 1 50 601 7 SER HB2 H 3.894 0.05 2 51 601 7 SER C C 176.73 0.5 1 52 601 7 SER CA C 58.451 0.5 1 53 601 7 SER CB C 63.953 0.5 1 54 601 7 SER N N 116.558 0.5 1 55 602 8 GLU H H 8.508 0.05 1 56 602 8 GLU HA H 4.326 0.05 1 57 602 8 GLU HB2 H 2.089 0.05 2 58 602 8 GLU HG2 H 2.289 0.05 2 59 602 8 GLU C C 174.634 0.5 1 60 602 8 GLU CA C 56.85 0.5 1 61 602 8 GLU CB C 30.233 0.5 1 62 602 8 GLU CG C 36.287 0.5 1 63 602 8 GLU N N 122.906 0.5 1 64 603 9 GLU H H 8.38 0.05 1 65 603 9 GLU HA H 4.239 0.05 1 66 603 9 GLU HB2 H 2.068 0.05 2 67 603 9 GLU HG2 H 2.271 0.05 2 68 603 9 GLU C C 174.165 0.5 1 69 603 9 GLU CA C 56.889 0.5 1 70 603 9 GLU CB C 30.194 0.5 1 71 603 9 GLU CG C 36.239 0.5 1 72 603 9 GLU N N 121.247 0.5 1 73 604 10 GLU H H 8.428 0.05 1 74 604 10 GLU HA H 4.179 0.05 1 75 604 10 GLU HB2 H 2.029 0.05 2 76 604 10 GLU HG2 H 2.263 0.05 2 77 604 10 GLU C C 174.4 0.5 1 78 604 10 GLU CA C 57.653 0.5 1 79 604 10 GLU CB C 30.122 0.5 1 80 604 10 GLU CG C 36.366 0.5 1 81 604 10 GLU N N 121.99 0.5 1 82 605 11 ASP H H 8.423 0.05 1 83 605 11 ASP HA H 4.544 0.05 1 84 605 11 ASP HB2 H 2.72 0.05 2 85 605 11 ASP C C 174.523 0.5 1 86 605 11 ASP CA C 54.877 0.5 1 87 605 11 ASP CB C 40.81 0.5 1 88 605 11 ASP N N 120.083 0.5 1 89 606 12 LYS H H 8.06 0.05 1 90 606 12 LYS HA H 4.27 0.05 1 91 606 12 LYS C C 174.801 0.5 1 92 606 12 LYS CA C 56.528 0.5 1 93 606 12 LYS CB C 32.579 0.5 1 94 606 12 LYS CG C 24.903 0.5 1 95 606 12 LYS N N 120.57 0.5 1 96 607 13 CYS H H 8.061 0.05 1 97 607 13 CYS HA H 4.369 0.05 1 98 607 13 CYS HB2 H 2.832 0.05 2 99 607 13 CYS C C 177.603 0.5 1 100 607 13 CYS CA C 58.242 0.5 1 101 607 13 CYS CB C 27.989 0.5 1 102 607 13 CYS N N 118.438 0.5 1 103 608 14 LYS H H 8.378 0.05 1 104 608 14 LYS HA H 4.551 0.05 1 105 608 14 LYS HB2 H 1.769 0.05 2 106 608 14 LYS HG2 H 1.529 0.05 2 107 608 14 LYS HD2 H 1.689 0.05 2 108 608 14 LYS HE2 H 3.002 0.05 2 109 608 14 LYS CA C 54.516 0.5 1 110 608 14 LYS CB C 32.766 0.5 1 111 608 14 LYS CG C 24.498 0.5 1 112 608 14 LYS CD C 29.248 0.5 1 113 608 14 LYS CE C 42.163 0.5 1 114 608 14 LYS N N 125.69 0.5 1 115 609 15 PRO HA H 4.335 0.05 1 116 609 15 PRO HB3 H 2.363 0.05 2 117 609 15 PRO HG2 H 2.067 0.05 2 118 609 15 PRO HD2 H 4.027 0.05 2 119 609 15 PRO C C 174.437 0.5 1 120 609 15 PRO CA C 63.188 0.5 1 121 609 15 PRO CB C 32.229 0.5 1 122 609 15 PRO CG C 27.599 0.5 1 123 609 15 PRO CD C 51.121 0.5 1 124 610 16 MET H H 8.627 0.05 1 125 610 16 MET HA H 4.646 0.05 1 126 610 16 MET HB2 H 2.12 0.05 2 127 610 16 MET HG2 H 2.6 0.05 2 128 610 16 MET HE H 1.812 0.05 1 129 610 16 MET C C 174.456 0.5 1 130 610 16 MET CA C 56.029 0.5 1 131 610 16 MET CB C 35.912 0.5 1 132 610 16 MET CG C 34.445 0.5 1 133 610 16 MET CE C 18.843 0.5 1 134 610 16 MET N N 122.149 0.5 1 135 611 17 SER H H 9.16 0.05 1 136 611 17 SER HA H 4.541 0.05 1 137 611 17 SER HB2 H 4.083 0.05 2 138 611 17 SER C C 176.345 0.5 1 139 611 17 SER CA C 56.944 0.5 1 140 611 17 SER CB C 65.731 0.5 1 141 611 17 SER N N 119.481 0.5 1 142 612 18 TYR H H 9.159 0.05 1 143 612 18 TYR HA H 3.982 0.05 1 144 612 18 TYR HB2 H 3.284 0.05 2 145 612 18 TYR HD2 H 7.141 0.05 3 146 612 18 TYR HE2 H 6.791 0.05 3 147 612 18 TYR C C 174.33 0.5 1 148 612 18 TYR CA C 63.048 0.5 1 149 612 18 TYR CB C 38.093 0.5 1 150 612 18 TYR CE2 C 117.778 0.5 1 151 612 18 TYR N N 122.531 0.5 1 152 613 19 GLU H H 8.797 0.05 1 153 613 19 GLU HA H 3.838 0.05 1 154 613 19 GLU HB2 H 2.083 0.05 2 155 613 19 GLU HG2 H 2.524 0.05 2 156 613 19 GLU C C 181.728 0.5 1 157 613 19 GLU CA C 59.956 0.5 1 158 613 19 GLU CB C 28.78 0.5 1 159 613 19 GLU CG C 36.785 0.5 1 160 613 19 GLU N N 117.236 0.5 1 161 614 20 GLU H H 7.784 0.05 1 162 614 20 GLU HA H 3.97 0.05 1 163 614 20 GLU C C 171.923 0.5 1 164 614 20 GLU CA C 59.598 0.5 1 165 614 20 GLU CB C 30.452 0.5 1 166 614 20 GLU N N 120.018 0.5 1 167 615 21 LYS H H 8.097 0.05 1 168 615 21 LYS HA H 3.683 0.05 1 169 615 21 LYS HB2 H 1.851 0.05 2 170 615 21 LYS HG2 H 1.601 0.05 2 171 615 21 LYS C C 174.044 0.5 1 172 615 21 LYS CA C 60.233 0.5 1 173 615 21 LYS CB C 33.466 0.5 1 174 615 21 LYS CG C 27.382 0.5 1 175 615 21 LYS N N 121.211 0.5 1 176 616 22 ARG H H 8.44 0.05 1 177 616 22 ARG HA H 3.43 0.05 1 178 616 22 ARG HB2 H 1.724 0.05 2 179 616 22 ARG HG2 H 1.346 0.05 2 180 616 22 ARG HD2 H 3.184 0.05 2 181 616 22 ARG C C 173.133 0.5 1 182 616 22 ARG CA C 59.14 0.5 1 183 616 22 ARG CB C 29.621 0.5 1 184 616 22 ARG CG C 27.282 0.5 1 185 616 22 ARG CD C 43.145 0.5 1 186 616 22 ARG N N 119.207 0.5 1 187 617 23 GLN H H 8.056 0.05 1 188 617 23 GLN HA H 3.727 0.05 1 189 617 23 GLN HB2 H 2.112 0.05 2 190 617 23 GLN HG2 H 2.348 0.05 2 191 617 23 GLN HE21 H 7.887 0.05 2 192 617 23 GLN HE22 H 6.77 0.05 2 193 617 23 GLN C C 174.511 0.5 1 194 617 23 GLN CA C 58.147 0.5 1 195 617 23 GLN CB C 28.205 0.5 1 196 617 23 GLN CG C 33.257 0.5 1 197 617 23 GLN CD C 181.131 0.5 1 198 617 23 GLN N N 118.793 0.5 1 199 617 23 GLN NE2 N 116.672 0.5 1 200 618 24 LEU H H 7.656 0.05 1 201 618 24 LEU HA H 4.184 0.05 1 202 618 24 LEU HB2 H 1.736 0.05 2 203 618 24 LEU HD2 H 0.877 0.05 2 204 618 24 LEU C C 173.723 0.5 1 205 618 24 LEU CA C 57.754 0.5 1 206 618 24 LEU CB C 41.135 0.5 1 207 618 24 LEU CG C 27.378 0.5 1 208 618 24 LEU CD2 C 23.15 0.5 2 209 618 24 LEU N N 120.233 0.5 1 210 619 25 SER H H 7.506 0.05 1 211 619 25 SER HA H 3.685 0.05 1 212 619 25 SER HB2 H 3.781 0.05 2 213 619 25 SER C C 173.637 0.5 1 214 619 25 SER CA C 60.665 0.5 1 215 619 25 SER CB C 63.231 0.5 1 216 619 25 SER N N 111.701 0.5 1 217 620 26 LEU H H 7.93 0.05 1 218 620 26 LEU HA H 4.006 0.05 1 219 620 26 LEU HB2 H 1.872 0.05 2 220 620 26 LEU HG H 1.729 0.05 1 221 620 26 LEU HD1 H 0.825 0.05 2 222 620 26 LEU HD2 H 0.805 0.05 2 223 620 26 LEU C C 181.061 0.5 1 224 620 26 LEU CA C 58.042 0.5 1 225 620 26 LEU CB C 41.536 0.5 1 226 620 26 LEU CG C 26.765 0.5 1 227 620 26 LEU CD1 C 22.974 0.5 2 228 620 26 LEU CD2 C 24.979 0.5 2 229 620 26 LEU N N 120.516 0.5 1 230 621 27 ASP H H 8.714 0.05 1 231 621 27 ASP HA H 4.312 0.05 1 232 621 27 ASP HB2 H 2.797 0.05 2 233 621 27 ASP C C 171.744 0.5 1 234 621 27 ASP CA C 57.676 0.5 1 235 621 27 ASP CB C 40.301 0.5 1 236 621 27 ASP N N 122.127 0.5 1 237 622 28 ILE H H 8.38 0.05 1 238 622 28 ILE HA H 3.652 0.05 1 239 622 28 ILE HB H 2.055 0.05 1 240 622 28 ILE HG12 H 1.933 0.05 2 241 622 28 ILE HG2 H 0.867 0.05 1 242 622 28 ILE HD1 H 0.925 0.05 1 243 622 28 ILE C C 173.704 0.5 1 244 622 28 ILE CA C 65.318 0.5 1 245 622 28 ILE CB C 37.012 0.5 1 246 622 28 ILE CG1 C 31.599 0.5 1 247 622 28 ILE CG2 C 17.144 0.5 1 248 622 28 ILE CD1 C 13.419 0.5 1 249 622 28 ILE N N 120.694 0.5 1 250 623 29 ASN H H 7.507 0.05 1 251 623 29 ASN HA H 4.423 0.05 1 252 623 29 ASN HB2 H 2.9 0.05 2 253 623 29 ASN HD21 H 6.575 0.05 2 254 623 29 ASN HD22 H 7.688 0.05 2 255 623 29 ASN C C 175.711 0.5 1 256 623 29 ASN CA C 55.665 0.5 1 257 623 29 ASN CB C 39.922 0.5 1 258 623 29 ASN CG C 175.246 0.5 1 259 623 29 ASN N N 115.69 0.5 1 260 623 29 ASN ND2 N 111.436 0.5 1 261 624 30 LYS H H 7.64 0.05 1 262 624 30 LYS HA H 4.345 0.05 1 263 624 30 LYS HB2 H 2.023 0.05 2 264 624 30 LYS C C 174.23 0.5 1 265 624 30 LYS CA C 56.34 0.5 1 266 624 30 LYS CB C 33.664 0.5 1 267 624 30 LYS CG C 25.211 0.5 1 268 624 30 LYS CD C 29.891 0.5 1 269 624 30 LYS N N 116.857 0.5 1 270 625 31 LEU H H 7.364 0.05 1 271 625 31 LEU HA H 4.356 0.05 1 272 625 31 LEU HB2 H 1.97 0.05 2 273 625 31 LEU HG H 2.037 0.05 1 274 625 31 LEU HD1 H 0.808 0.05 2 275 625 31 LEU HD2 H 0.964 0.05 2 276 625 31 LEU CA C 53.334 0.5 1 277 625 31 LEU CB C 41.274 0.5 1 278 625 31 LEU CD1 C 23.661 0.5 2 279 625 31 LEU CD2 C 26.507 0.5 2 280 625 31 LEU N N 120.598 0.5 1 281 626 32 PRO HA H 4.646 0.05 1 282 626 32 PRO HB3 H 2.553 0.05 2 283 626 32 PRO HG2 H 2.209 0.05 2 284 626 32 PRO HD2 H 3.996 0.05 2 285 626 32 PRO C C 172.983 0.5 1 286 626 32 PRO CA C 62.363 0.5 1 287 626 32 PRO CB C 32.472 0.5 1 288 626 32 PRO CG C 27.849 0.5 1 289 626 32 PRO CD C 50.478 0.5 1 290 627 33 GLY H H 8.964 0.05 1 291 627 33 GLY HA2 H 4.192 0.05 2 292 627 33 GLY C C 174.242 0.5 1 293 627 33 GLY CA C 48.589 0.5 1 294 627 33 GLY N N 110.913 0.5 1 295 628 34 GLU H H 9.493 0.05 1 296 628 34 GLU HA H 4.384 0.05 1 297 628 34 GLU HB2 H 2.179 0.05 2 298 628 34 GLU HG2 H 2.384 0.05 2 299 628 34 GLU C C 172.733 0.5 1 300 628 34 GLU CA C 59.31 0.5 1 301 628 34 GLU CB C 28.84 0.5 1 302 628 34 GLU CG C 36.141 0.5 1 303 628 34 GLU N N 119.239 0.5 1 304 629 35 LYS H H 8.017 0.05 1 305 629 35 LYS HA H 4.665 0.05 1 306 629 35 LYS HB2 H 2.041 0.05 2 307 629 35 LYS HG2 H 1.562 0.05 2 308 629 35 LYS C C 172.34 0.5 1 309 629 35 LYS CA C 55.558 0.5 1 310 629 35 LYS CB C 32.589 0.5 1 311 629 35 LYS CG C 25.671 0.5 1 312 629 35 LYS N N 116.42 0.5 1 313 630 36 LEU H H 7.96 0.05 1 314 630 36 LEU HA H 4.116 0.05 1 315 630 36 LEU HB2 H 2.173 0.05 2 316 630 36 LEU HD1 H 0.976 0.05 2 317 630 36 LEU HD2 H 0.855 0.05 2 318 630 36 LEU C C 172.942 0.5 1 319 630 36 LEU CA C 57.244 0.5 1 320 630 36 LEU CB C 42.592 0.5 1 321 630 36 LEU CD1 C 25.7 0.5 2 322 630 36 LEU CD2 C 23.422 0.5 2 323 630 36 LEU N N 120.446 0.5 1 324 631 37 GLY H H 8.126 0.05 1 325 631 37 GLY HA2 H 4.089 0.05 2 326 631 37 GLY C C 174.674 0.5 1 327 631 37 GLY CA C 47.719 0.5 1 328 631 37 GLY N N 107.478 0.5 1 329 632 38 ARG H H 7.701 0.05 1 330 632 38 ARG HA H 4.024 0.05 1 331 632 38 ARG HB2 H 1.668 0.05 2 332 632 38 ARG HG2 H 1.227 0.05 2 333 632 38 ARG HD2 H 3.017 0.05 2 334 632 38 ARG C C 173.548 0.5 1 335 632 38 ARG CA C 57.325 0.5 1 336 632 38 ARG CB C 28.836 0.5 1 337 632 38 ARG CG C 26.289 0.5 1 338 632 38 ARG CD C 42.619 0.5 1 339 632 38 ARG N N 120.72 0.5 1 340 633 39 VAL H H 6.956 0.05 1 341 633 39 VAL HA H 3.249 0.05 1 342 633 39 VAL HB H 2.479 0.05 1 343 633 39 VAL HG1 H 0.731 0.05 2 344 633 39 VAL HG2 H 1.062 0.05 2 345 633 39 VAL C C 174.956 0.5 1 346 633 39 VAL CA C 66.759 0.5 1 347 633 39 VAL CB C 30.461 0.5 1 348 633 39 VAL CG1 C 20.429 0.5 2 349 633 39 VAL CG2 C 22.739 0.5 2 350 633 39 VAL N N 118.875 0.5 1 351 634 40 VAL H H 6.967 0.05 1 352 634 40 VAL HA H 2.943 0.05 1 353 634 40 VAL HB H 1.736 0.05 1 354 634 40 VAL HG1 H -0.291 0.05 2 355 634 40 VAL HG2 H 0.553 0.05 2 356 634 40 VAL C C 174.441 0.5 1 357 634 40 VAL CA C 67.28 0.5 1 358 634 40 VAL CB C 31.065 0.5 1 359 634 40 VAL CG1 C 21.403 0.5 2 360 634 40 VAL CG2 C 20.425 0.5 2 361 634 40 VAL N N 117.257 0.5 1 362 635 41 HIS H H 7.643 0.05 1 363 635 41 HIS HA H 4.263 0.05 1 364 635 41 HIS HB2 H 3.095 0.05 2 365 635 41 HIS HD2 H 6.914 0.05 1 366 635 41 HIS C C 172.614 0.5 1 367 635 41 HIS CA C 59.873 0.5 1 368 635 41 HIS CB C 31.137 0.5 1 369 635 41 HIS CD2 C 120.372 0.5 1 370 635 41 HIS N N 117.724 0.5 1 371 636 42 ILE H H 8.468 0.05 1 372 636 42 ILE HA H 3.419 0.05 1 373 636 42 ILE HB H 1.797 0.05 1 374 636 42 ILE HG12 H 1.752 0.05 2 375 636 42 ILE HG2 H 0.727 0.05 1 376 636 42 ILE HD1 H 0.554 0.05 1 377 636 42 ILE C C 173.995 0.5 1 378 636 42 ILE CA C 66.007 0.5 1 379 636 42 ILE CB C 38.107 0.5 1 380 636 42 ILE CG1 C 29.534 0.5 1 381 636 42 ILE CG2 C 16.922 0.5 1 382 636 42 ILE CD1 C 14.363 0.5 1 383 636 42 ILE N N 121.433 0.5 1 384 637 43 ILE H H 7.544 0.05 1 385 637 43 ILE HA H 3.422 0.05 1 386 637 43 ILE HB H 1.739 0.05 1 387 637 43 ILE HG12 H 1.6 0.05 2 388 637 43 ILE HG2 H 0.756 0.05 1 389 637 43 ILE HD1 H 0.612 0.05 1 390 637 43 ILE C C 173.876 0.5 1 391 637 43 ILE CA C 65.449 0.5 1 392 637 43 ILE CB C 37.358 0.5 1 393 637 43 ILE CG1 C 28.808 0.5 1 394 637 43 ILE CG2 C 17.672 0.5 1 395 637 43 ILE CD1 C 13.364 0.5 1 396 637 43 ILE N N 117.186 0.5 1 397 638 44 GLN H H 8.656 0.05 1 398 638 44 GLN HA H 3.894 0.05 1 399 638 44 GLN HB2 H 2.064 0.05 2 400 638 44 GLN HG2 H 2.524 0.05 2 401 638 44 GLN HE21 H 6.812 0.05 2 402 638 44 GLN HE22 H 7.225 0.05 2 403 638 44 GLN C C 173.121 0.5 1 404 638 44 GLN CA C 58.915 0.5 1 405 638 44 GLN CB C 28.26 0.5 1 406 638 44 GLN CG C 34.652 0.5 1 407 638 44 GLN CD C 181.746 0.5 1 408 638 44 GLN N N 115.896 0.5 1 409 638 44 GLN NE2 N 110.887 0.5 1 410 639 45 SER H H 8.008 0.05 1 411 639 45 SER HA H 4.151 0.05 1 412 639 45 SER HB2 H 3.782 0.05 2 413 639 45 SER C C 175.58 0.5 1 414 639 45 SER CA C 60.556 0.5 1 415 639 45 SER CB C 63.382 0.5 1 416 639 45 SER N N 111.39 0.5 1 417 640 46 ARG H H 7.502 0.05 1 418 640 46 ARG HA H 4.371 0.05 1 419 640 46 ARG C C 174.712 0.5 1 420 640 46 ARG CA C 56.354 0.5 1 421 640 46 ARG CB C 32.876 0.5 1 422 640 46 ARG CG C 27.996 0.5 1 423 640 46 ARG CD C 42.741 0.5 1 424 640 46 ARG N N 118.599 0.5 1 425 641 47 GLU H H 7.906 0.05 1 426 641 47 GLU HA H 4.881 0.05 1 427 641 47 GLU HB2 H 2.03 0.05 2 428 641 47 GLU CA C 53.274 0.5 1 429 641 47 GLU CB C 28.751 0.5 1 430 641 47 GLU N N 117.907 0.5 1 431 642 48 PRO HA H 4.429 0.05 1 432 642 48 PRO HB3 H 2.337 0.05 2 433 642 48 PRO HG2 H 1.988 0.05 2 434 642 48 PRO HD2 H 3.742 0.05 2 435 642 48 PRO C C 173.467 0.5 1 436 642 48 PRO CA C 64.119 0.5 1 437 642 48 PRO CB C 31.794 0.5 1 438 642 48 PRO CG C 27.318 0.5 1 439 642 48 PRO CD C 50.559 0.5 1 440 643 49 SER H H 8.307 0.05 1 441 643 49 SER HA H 4.423 0.05 1 442 643 49 SER HB2 H 3.952 0.05 2 443 643 49 SER C C 176.436 0.5 1 444 643 49 SER CA C 58.929 0.5 1 445 643 49 SER CB C 63.473 0.5 1 446 643 49 SER N N 113.841 0.5 1 447 644 50 LEU H H 7.99 0.05 1 448 644 50 LEU HA H 4.366 0.05 1 449 644 50 LEU HB2 H 1.659 0.05 2 450 644 50 LEU HD1 H 0.871 0.05 2 451 644 50 LEU HD2 H 0.857 0.05 2 452 644 50 LEU C C 173.751 0.5 1 453 644 50 LEU CA C 55.36 0.5 1 454 644 50 LEU CB C 41.663 0.5 1 455 644 50 LEU CD1 C 25.156 0.5 2 456 644 50 LEU CD2 C 23.389 0.5 2 457 644 50 LEU N N 123.432 0.5 1 458 645 51 LYS H H 8.087 0.05 1 459 645 51 LYS HA H 4.208 0.05 1 460 645 51 LYS C C 175.107 0.5 1 461 645 51 LYS CA C 57.102 0.5 1 462 645 51 LYS CB C 32.667 0.5 1 463 645 51 LYS CG C 24.795 0.5 1 464 645 51 LYS N N 122.03 0.5 1 465 646 52 ASN H H 8.41 0.05 1 466 646 52 ASN HA H 4.863 0.05 1 467 646 52 ASN HB2 H 2.885 0.05 2 468 646 52 ASN HD21 H 6.998 0.05 2 469 646 52 ASN HD22 H 7.709 0.05 2 470 646 52 ASN C C 176.439 0.5 1 471 646 52 ASN CA C 52.888 0.5 1 472 646 52 ASN CB C 38.91 0.5 1 473 646 52 ASN CG C 174.157 0.5 1 474 646 52 ASN N N 119.897 0.5 1 475 646 52 ASN ND2 N 113.436 0.5 1 476 647 53 SER H H 8.169 0.05 1 477 647 53 SER HA H 4.426 0.05 1 478 647 53 SER HB2 H 3.903 0.05 2 479 647 53 SER C C 177.489 0.5 1 480 647 53 SER CA C 59.255 0.5 1 481 647 53 SER CB C 63.884 0.5 1 482 647 53 SER N N 116.088 0.5 1 483 648 54 ASN H H 8.508 0.05 1 484 648 54 ASN HA H 5.045 0.05 1 485 648 54 ASN HB2 H 3.224 0.05 2 486 648 54 ASN HD21 H 7.148 0.05 2 487 648 54 ASN HD22 H 7.716 0.05 2 488 648 54 ASN CA C 50.791 0.5 1 489 648 54 ASN CB C 39.395 0.5 1 490 648 54 ASN CG C 173.929 0.5 1 491 648 54 ASN N N 122.226 0.5 1 492 648 54 ASN ND2 N 113.263 0.5 1 493 649 55 PRO HA H 4.437 0.05 1 494 649 55 PRO HB3 H 2.304 0.05 2 495 649 55 PRO HD2 H 3.863 0.05 2 496 649 55 PRO C C 174.842 0.5 1 497 649 55 PRO CA C 64.2 0.5 1 498 649 55 PRO CB C 32.345 0.5 1 499 649 55 PRO CG C 27.012 0.5 1 500 649 55 PRO CD C 50.788 0.5 1 501 650 56 ASP H H 8.152 0.05 1 502 650 56 ASP HA H 4.799 0.05 1 503 650 56 ASP HB2 H 3.017 0.05 2 504 650 56 ASP C C 176.762 0.5 1 505 650 56 ASP CA C 54.082 0.5 1 506 650 56 ASP CB C 42.074 0.5 1 507 650 56 ASP N N 115.531 0.5 1 508 651 57 GLU H H 7.495 0.05 1 509 651 57 GLU HA H 5.426 0.05 1 510 651 57 GLU HB2 H 1.961 0.05 2 511 651 57 GLU HG2 H 2.137 0.05 2 512 651 57 GLU C C 177.397 0.5 1 513 651 57 GLU CA C 55.809 0.5 1 514 651 57 GLU CB C 33.314 0.5 1 515 651 57 GLU CG C 36.58 0.5 1 516 651 57 GLU N N 118.623 0.5 1 517 652 58 ILE H H 9.112 0.05 1 518 652 58 ILE HA H 4.527 0.05 1 519 652 58 ILE HB H 1.67 0.05 1 520 652 58 ILE HG12 H 0.981 0.05 2 521 652 58 ILE HG2 H 0.678 0.05 1 522 652 58 ILE HD1 H 0.637 0.05 1 523 652 58 ILE C C 177.606 0.5 1 524 652 58 ILE CA C 59.728 0.5 1 525 652 58 ILE CB C 40.912 0.5 1 526 652 58 ILE CG1 C 27.582 0.5 1 527 652 58 ILE CG2 C 16.785 0.5 1 528 652 58 ILE CD1 C 13.758 0.5 1 529 652 58 ILE N N 123.206 0.5 1 530 653 59 GLU H H 8.618 0.05 1 531 653 59 GLU HA H 4.797 0.05 1 532 653 59 GLU HB2 H 1.997 0.05 2 533 653 59 GLU HG2 H 2.124 0.05 2 534 653 59 GLU C C 176.279 0.5 1 535 653 59 GLU CA C 55.445 0.5 1 536 653 59 GLU CB C 31.427 0.5 1 537 653 59 GLU CG C 37.175 0.5 1 538 653 59 GLU N N 127.136 0.5 1 539 654 60 ILE H H 8.957 0.05 1 540 654 60 ILE HA H 3.901 0.05 1 541 654 60 ILE HB H 1.404 0.05 1 542 654 60 ILE HG12 H 1.295 0.05 2 543 654 60 ILE HG2 H -0.005 0.05 1 544 654 60 ILE HD1 H 0.479 0.05 1 545 654 60 ILE C C 178.345 0.5 1 546 654 60 ILE CA C 60.67 0.5 1 547 654 60 ILE CB C 39.356 0.5 1 548 654 60 ILE CG1 C 26.585 0.5 1 549 654 60 ILE CG2 C 17.279 0.5 1 550 654 60 ILE CD1 C 13.623 0.5 1 551 654 60 ILE N N 125.297 0.5 1 552 655 61 ASP H H 8.506 0.05 1 553 655 61 ASP HA H 5.236 0.05 1 554 655 61 ASP HB2 H 3.035 0.05 2 555 655 61 ASP C C 173.152 0.5 1 556 655 61 ASP CA C 51.504 0.5 1 557 655 61 ASP CB C 41.593 0.5 1 558 655 61 ASP N N 125.913 0.5 1 559 656 62 PHE H H 9.289 0.05 1 560 656 62 PHE HA H 3.975 0.05 1 561 656 62 PHE HB2 H 3.073 0.05 2 562 656 62 PHE HD2 H 7.211 0.05 3 563 656 62 PHE HE2 H 7.134 0.05 3 564 656 62 PHE HZ H 7.0468 0.05 1 565 656 62 PHE C C 174.703 0.5 1 566 656 62 PHE CA C 61.588 0.5 1 567 656 62 PHE CB C 38.778 0.5 1 568 656 62 PHE CD2 C 131.05 0.5 1 569 656 62 PHE CE2 C 133.645 0.5 1 570 656 62 PHE CZ C 130.6106 0.5 1 571 656 62 PHE N N 122.277 0.5 1 572 657 63 GLU H H 8.673 0.05 1 573 657 63 GLU HA H 4.341 0.05 1 574 657 63 GLU HB2 H 2.215 0.05 2 575 657 63 GLU HG2 H 2.248 0.05 2 576 657 63 GLU C C 173.47 0.5 1 577 657 63 GLU CA C 58.309 0.5 1 578 657 63 GLU CB C 30.093 0.5 1 579 657 63 GLU CG C 37.222 0.5 1 580 657 63 GLU N N 114.858 0.5 1 581 658 64 THR H H 7.525 0.05 1 582 658 64 THR HA H 4.519 0.05 1 583 658 64 THR HB H 4.436 0.05 1 584 658 64 THR HG2 H 1.105 0.05 1 585 658 64 THR C C 176.322 0.5 1 586 658 64 THR CA C 61.351 0.5 1 587 658 64 THR CB C 69.766 0.5 1 588 658 64 THR CG2 C 21.564 0.5 1 589 658 64 THR N N 106.278 0.5 1 590 659 65 LEU H H 6.672 0.05 1 591 659 65 LEU HA H 4.38 0.05 1 592 659 65 LEU HB2 H 1.572 0.05 2 593 659 65 LEU HG H 1.831 0.05 1 594 659 65 LEU HD1 H 0.74 0.05 2 595 659 65 LEU HD2 H 0.564 0.05 2 596 659 65 LEU C C 174.995 0.5 1 597 659 65 LEU CA C 54.489 0.5 1 598 659 65 LEU CB C 43.383 0.5 1 599 659 65 LEU CG C 26.316 0.5 1 600 659 65 LEU CD1 C 23.407 0.5 2 601 659 65 LEU CD2 C 26.009 0.5 2 602 659 65 LEU N N 121.64 0.5 1 603 660 66 LYS H H 10.024 0.05 1 604 660 66 LYS HA H 4.457 0.05 1 605 660 66 LYS CA C 55.679 0.5 1 606 660 66 LYS CB C 31.727 0.5 1 607 660 66 LYS N N 123.396 0.5 1 608 661 67 PRO HA H 4.183 0.05 1 609 661 67 PRO HB3 H 2.142 0.05 2 610 661 67 PRO HG2 H 2.282 0.05 2 611 661 67 PRO C C 172.798 0.5 1 612 661 67 PRO CA C 66.16 0.5 1 613 661 67 PRO CB C 32.02 0.5 1 614 661 67 PRO CG C 27.781 0.5 1 615 662 68 SER H H 8.581 0.05 1 616 662 68 SER HA H 4.31 0.05 1 617 662 68 SER HB2 H 3.982 0.05 2 618 662 68 SER C C 173.679 0.5 1 619 662 68 SER CA C 60.823 0.5 1 620 662 68 SER CB C 61.735 0.5 1 621 662 68 SER N N 110.281 0.5 1 622 663 69 THR H H 7.373 0.05 1 623 663 69 THR HA H 3.79 0.05 1 624 663 69 THR HB H 4.48 0.05 1 625 663 69 THR HG2 H 1.144 0.05 1 626 663 69 THR C C 175.149 0.5 1 627 663 69 THR CA C 65.916 0.5 1 628 663 69 THR CB C 67.23 0.5 1 629 663 69 THR CG2 C 24.162 0.5 1 630 663 69 THR N N 122.407 0.5 1 631 664 70 LEU H H 8.043 0.05 1 632 664 70 LEU HA H 3.801 0.05 1 633 664 70 LEU HB2 H 2.056 0.05 2 634 664 70 LEU HG H 1.606 0.05 1 635 664 70 LEU HD1 H 0.983 0.05 2 636 664 70 LEU HD2 H 0.973 0.05 2 637 664 70 LEU C C 172.376 0.5 1 638 664 70 LEU CA C 58.59 0.5 1 639 664 70 LEU CB C 40.907 0.5 1 640 664 70 LEU CG C 26.869 0.5 1 641 664 70 LEU CD1 C 24.679 0.5 2 642 664 70 LEU CD2 C 26.599 0.5 2 643 664 70 LEU N N 120.971 0.5 1 644 665 71 ARG H H 8.357 0.05 1 645 665 71 ARG HA H 4.208 0.05 1 646 665 71 ARG C C 172.535 0.5 1 647 665 71 ARG CA C 57.483 0.5 1 648 665 71 ARG CB C 28.99 0.5 1 649 665 71 ARG N N 115.708 0.5 1 650 666 72 GLU H H 7.921 0.05 1 651 666 72 GLU HA H 4.205 0.05 1 652 666 72 GLU C C 181.636 0.5 1 653 666 72 GLU CA C 59.678 0.5 1 654 666 72 GLU CB C 28.825 0.5 1 655 666 72 GLU N N 122.889 0.5 1 656 667 73 LEU H H 8.534 0.05 1 657 667 73 LEU HA H 4.126 0.05 1 658 667 73 LEU HB2 H 2.271 0.05 2 659 667 73 LEU HD1 H 0.952 0.05 2 660 667 73 LEU HD2 H 0.848 0.05 2 661 667 73 LEU C C 173.545 0.5 1 662 667 73 LEU CA C 58.106 0.5 1 663 667 73 LEU CB C 43.071 0.5 1 664 667 73 LEU CD1 C 25.165 0.5 2 665 667 73 LEU CD2 C 26.26 0.5 2 666 667 73 LEU N N 119.805 0.5 1 667 668 74 GLU H H 8.697 0.05 1 668 668 74 GLU HA H 3.807 0.05 1 669 668 74 GLU HB2 H 2.388 0.05 2 670 668 74 GLU HG2 H 2.204 0.05 2 671 668 74 GLU C C 172.719 0.5 1 672 668 74 GLU CA C 59.944 0.5 1 673 668 74 GLU CB C 30.176 0.5 1 674 668 74 GLU CG C 35.757 0.5 1 675 668 74 GLU N N 120.485 0.5 1 676 669 75 ARG H H 8.214 0.05 1 677 669 75 ARG HA H 4.02 0.05 1 678 669 75 ARG HB2 H 2.026 0.05 2 679 669 75 ARG HG2 H 1.932 0.05 2 680 669 75 ARG HD2 H 3.317 0.05 2 681 669 75 ARG C C 172.129 0.5 1 682 669 75 ARG CA C 59.942 0.5 1 683 669 75 ARG CB C 30.338 0.5 1 684 669 75 ARG CG C 27.912 0.5 1 685 669 75 ARG CD C 43.574 0.5 1 686 669 75 ARG N N 120.405 0.5 1 687 670 76 TYR H H 8.041 0.05 1 688 670 76 TYR HA H 4.35 0.05 1 689 670 76 TYR HB2 H 3.35 0.05 2 690 670 76 TYR HD1 H 6.943 0.05 3 691 670 76 TYR HE1 H 6.741 0.05 3 692 670 76 TYR C C 172.86 0.5 1 693 670 76 TYR CA C 61.338 0.5 1 694 670 76 TYR CB C 38.272 0.5 1 695 670 76 TYR CE1 C 117.59 0.5 1 696 670 76 TYR N N 120.203 0.5 1 697 671 77 VAL H H 9.235 0.05 1 698 671 77 VAL HA H 3.144 0.05 1 699 671 77 VAL HB H 2.112 0.05 1 700 671 77 VAL HG1 H 0.892 0.05 2 701 671 77 VAL HG2 H 1.078 0.05 2 702 671 77 VAL C C 173.325 0.5 1 703 671 77 VAL CA C 67.488 0.5 1 704 671 77 VAL CB C 31.439 0.5 1 705 671 77 VAL CG1 C 22.097 0.5 2 706 671 77 VAL CG2 C 23.458 0.5 2 707 671 77 VAL N N 121.488 0.5 1 708 672 78 THR H H 8.461 0.05 1 709 672 78 THR HA H 3.784 0.05 1 710 672 78 THR HB H 4.207 0.05 1 711 672 78 THR HG2 H 1.211 0.05 1 712 672 78 THR C C 174.742 0.5 1 713 672 78 THR CA C 66.89 0.5 1 714 672 78 THR CB C 68.445 0.5 1 715 672 78 THR CG2 C 21.877 0.5 1 716 672 78 THR N N 115.337 0.5 1 717 673 79 SER H H 7.573 0.05 1 718 673 79 SER HA H 4.245 0.05 1 719 673 79 SER HB2 H 4.043 0.05 2 720 673 79 SER C C 175.306 0.5 1 721 673 79 SER CA C 61.461 0.5 1 722 673 79 SER CB C 62.786 0.5 1 723 673 79 SER N N 116.636 0.5 1 724 674 80 CYS H H 7.516 0.05 1 725 674 80 CYS HA H 4.181 0.05 1 726 674 80 CYS HB2 H 2.889 0.05 2 727 674 80 CYS C C 175.008 0.5 1 728 674 80 CYS CA C 62.201 0.5 1 729 674 80 CYS CB C 27.964 0.5 1 730 674 80 CYS N N 118.474 0.5 1 731 675 81 LEU H H 7.687 0.05 1 732 675 81 LEU HA H 4.318 0.05 1 733 675 81 LEU HB2 H 1.64 0.05 2 734 675 81 LEU HD1 H 0.724 0.05 2 735 675 81 LEU HD2 H 0.767 0.05 2 736 675 81 LEU C C 174.067 0.5 1 737 675 81 LEU CA C 55.465 0.5 1 738 675 81 LEU CB C 42.618 0.5 1 739 675 81 LEU CD1 C 22.358 0.5 2 740 675 81 LEU CD2 C 25.843 0.5 2 741 675 81 LEU N N 118.335 0.5 1 742 676 82 ARG H H 7.814 0.05 1 743 676 82 ARG HA H 4.282 0.05 1 744 676 82 ARG HG2 H 1.613 0.05 2 745 676 82 ARG HD2 H 3.137 0.05 2 746 676 82 ARG C C 175.345 0.5 1 747 676 82 ARG CA C 56.452 0.5 1 748 676 82 ARG CB C 30.221 0.5 1 749 676 82 ARG CG C 27.25 0.5 1 750 676 82 ARG N N 119.371 0.5 1 751 677 83 LYS H H 8.054 0.05 1 752 677 83 LYS HA H 4.278 0.05 1 753 677 83 LYS HB2 H 1.79 0.05 2 754 677 83 LYS C C 174.921 0.5 1 755 677 83 LYS CA C 56.387 0.5 1 756 677 83 LYS CB C 32.96 0.5 1 757 677 83 LYS CG C 25.003 0.5 1 758 677 83 LYS N N 121.697 0.5 1 759 678 84 LYS H H 8.375 0.05 1 760 678 84 LYS CA C 56.319 0.5 1 761 678 84 LYS CB C 32.989 0.5 1 762 678 84 LYS CG C 24.951 0.5 1 763 678 84 LYS N N 122.902 0.5 1 764 679 85 THR H H 8.204 0.05 1 765 679 85 THR HA H 4.327 0.05 1 766 679 85 THR HB H 4.245 0.05 1 767 679 85 THR HG2 H 1.192 0.05 1 768 679 85 THR C C 177.732 0.5 1 769 679 85 THR CA C 61.795 0.5 1 770 679 85 THR CB C 69.941 0.5 1 771 679 85 THR CG2 C 21.944 0.5 1 772 679 85 THR N N 115.917 0.5 1 773 680 86 ARG H H 7.976 0.05 1 774 680 86 ARG HA H 4.158 0.05 1 775 680 86 ARG HB2 H 1.837 0.05 2 776 680 86 ARG HG2 H 1.581 0.05 2 777 680 86 ARG HD2 H 3.179 0.05 2 778 680 86 ARG CA C 57.64 0.5 1 779 680 86 ARG CB C 31.376 0.5 1 780 680 86 ARG CG C 27.19 0.5 1 781 680 86 ARG CD C 43.456 0.5 1 782 680 86 ARG N N 127.693 0.5 1 stop_ save_ save_assigned_chem_shift_list_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $NMRViewJ $PINE stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC aliphatic' '3D HNCO' '3D HNCA' '3D HNCACB' '3D CBCA(CO)NH' '3D HBHA(CO)NH' '3D HCCH-TOCSY' '3D CC(CO)NH-TOCSY' '2D 13C,15N-filtered 1H-1H COSY' '2D 13C,15N-filtered 1H-1H TOCSY' '2D 13C,15N-filtered 1H-1H NOESY' stop_ loop_ _Sample_label $U13C-15NBrd4_MLV_in_H2O $U13C-15NBrd4_MLV_in_D2O 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 1 389 1 THR HA H 3.787 0.05 1 2 389 1 THR HB H 4.112 0.05 1 3 389 1 THR HG2 H 1.333 0.05 1 4 390 2 TRP H H 8.318 0.05 1 5 390 2 TRP HA H 4.93 0.05 1 6 390 2 TRP HB2 H 3.072 0.05 2 7 390 2 TRP HB3 H 2.979 0.05 2 8 390 2 TRP HD1 H 7.252 0.05 1 9 390 2 TRP HE1 H 10.199 0.05 1 10 390 2 TRP HE3 H 7.233 0.05 1 11 390 2 TRP HZ2 H 7.375 0.05 1 12 390 2 TRP HZ3 H 6.72 0.05 1 13 390 2 TRP HH2 H 7.111 0.05 1 14 391 3 ARG H H 9.372 0.05 1 15 391 3 ARG HA H 4.719 0.05 1 16 391 3 ARG HB2 H 2.341 0.05 2 17 391 3 ARG HB3 H 1.818 0.05 2 18 391 3 ARG HG2 H 1.722 0.05 2 19 391 3 ARG HG3 H 1.518 0.05 2 20 391 3 ARG HD2 H 3.173 0.05 2 21 391 3 ARG HE H 7.107 0.05 1 22 392 4 VAL H H 8.802 0.05 1 23 392 4 VAL HA H 4.571 0.05 1 24 392 4 VAL HB H 2.116 0.05 1 25 392 4 VAL HG2 H 0.96 0.05 2 26 393 5 GLN H H 9.383 0.05 1 27 393 5 GLN HA H 4.724 0.05 1 28 393 5 GLN HB2 H 1.954 0.05 2 29 393 5 GLN HB3 H 2.15 0.05 2 30 393 5 GLN HG2 H 2.323 0.05 2 31 393 5 GLN HE21 H 7.518 0.05 2 32 393 5 GLN HE22 H 6.934 0.05 2 33 394 6 ARG H H 8.872 0.05 1 34 394 6 ARG HA H 4.408 0.05 1 35 394 6 ARG HB2 H 1.835 0.05 2 36 394 6 ARG HB3 H 2.002 0.05 2 37 394 6 ARG HG2 H 1.757 0.05 2 38 394 6 ARG HG3 H 1.606 0.05 2 39 394 6 ARG HD2 H 3.212 0.05 2 40 394 6 ARG HE H 7.235 0.05 1 41 395 7 SER H H 8.663 0.05 1 42 395 7 SER HA H 4.867 0.05 1 43 395 7 SER HB2 H 4.153 0.05 2 44 395 7 SER HB3 H 3.934 0.05 2 45 396 8 GLN H H 8.669 0.05 1 46 396 8 GLN HA H 4.225 0.05 1 47 396 8 GLN HB2 H 2.2 0.05 2 48 396 8 GLN HB3 H 2.059 0.05 2 49 396 8 GLN HG2 H 2.438 0.05 2 50 396 8 GLN HE21 H 7.577 0.05 2 51 396 8 GLN HE22 H 6.898 0.05 2 52 397 9 ASN H H 8.28 0.05 1 53 397 9 ASN HA H 5.101 0.05 1 54 397 9 ASN HB2 H 2.976 0.05 2 55 397 9 ASN HB3 H 2.814 0.05 2 56 397 9 ASN HD21 H 7.771 0.05 2 57 397 9 ASN HD22 H 7.479 0.05 2 58 398 10 PRO HA H 4.42 0.05 1 59 398 10 PRO HB2 H 2.3 0.05 2 60 398 10 PRO HB3 H 2.398 0.05 2 61 398 10 PRO HG2 H 2.13 0.05 2 62 398 10 PRO HG3 H 1.982 0.05 2 63 398 10 PRO HD2 H 4.029 0.05 2 64 398 10 PRO HD3 H 3.942 0.05 2 65 399 11 LEU H H 8.121 0.05 1 66 399 11 LEU HA H 4.381 0.05 1 67 399 11 LEU HB2 H 1.587 0.05 2 68 399 11 LEU HD1 H 0.855 0.05 2 69 399 11 LEU HD2 H 0.579 0.05 2 70 400 12 LYS H H 7.695 0.05 1 71 400 12 LYS HA H 5.547 0.05 1 72 400 12 LYS HB2 H 1.764 0.05 2 73 400 12 LYS HB3 H 1.587 0.05 2 74 400 12 LYS HG2 H 1.253 0.05 2 75 400 12 LYS HG3 H 1.2 0.05 2 76 400 12 LYS HD2 H 1.604 0.05 2 77 400 12 LYS HE2 H 2.877 0.05 2 78 401 13 ILE H H 8.629 0.05 1 79 401 13 ILE HA H 4.865 0.05 1 80 401 13 ILE HB H 1.852 0.05 1 81 401 13 ILE HG2 H 0.945 0.05 1 82 401 13 ILE HD1 H 0.885 0.05 1 83 402 14 ARG H H 8.707 0.05 1 84 402 14 ARG HA H 5.265 0.05 1 85 402 14 ARG HB2 H 1.698 0.05 2 86 402 14 ARG HG2 H 1.42 0.05 2 87 402 14 ARG HG3 H 1.555 0.05 2 88 402 14 ARG HD2 H 3.15 0.05 2 89 402 14 ARG HE H 7.406 0.05 1 90 403 15 LEU H H 9.134 0.05 1 91 403 15 LEU HA H 5.597 0.05 1 92 403 15 LEU HB2 H 1.508 0.05 2 93 403 15 LEU HB3 H 1.45 0.05 2 94 403 15 LEU HD1 H 0.62 0.05 2 95 403 15 LEU HD2 H 0.519 0.05 2 96 404 16 THR H H 9.034 0.05 1 97 404 16 THR HA H 5.561 0.05 1 98 404 16 THR HB H 4.312 0.05 1 99 404 16 THR HG2 H 1.187 0.05 1 100 405 17 ARG H H 7.936 0.05 1 101 405 17 ARG HA H 4.244 0.05 1 102 405 17 ARG HB2 H 0.968 0.05 2 103 405 17 ARG HB3 H 0.713 0.05 2 104 405 17 ARG HG2 H 2.338 0.05 2 105 405 17 ARG HG3 H 1.976 0.05 2 106 405 17 ARG HD2 H 3.85 0.05 2 107 405 17 ARG HE H 7.539 0.05 1 stop_ save_