data_30681 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 3D structure of the leiomodin/tropomyosin binding interface ; _BMRB_accession_number 30681 _BMRB_flat_file_name bmr30681.str _Entry_type original _Submission_date 2019-10-29 _Accession_date 2019-10-29 _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 Tolkatchev D. . . 2 Smith G. E. . 3 Helms G. L. . 4 Cort J. R. . 5 Kostyukova A. S. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 291 "13C chemical shifts" 251 "15N chemical shifts" 70 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-09-28 original BMRB . stop_ _Original_release_date 2019-11-13 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; 3D structure of the leiomodin/tropomyosin binding interface ; _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 Tolkatchev D. . . 2 Kostyukova A. S. . 3 Smith G. E. . 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 'Leiomodin-2, Tropomyosin alpha-1 chain chimeric peptide' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 'entity_2, 1' $entity_2 'entity_2, 2' $entity_2 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 entity_1 _Molecular_mass 4669.050 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 40 _Mol_residue_sequence ; STFGYRRGLSKYESIDEDEL LASLSAEELKELERELEDIE ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 2 SER 2 3 THR 3 4 PHE 4 5 GLY 5 6 TYR 6 7 ARG 7 8 ARG 8 9 GLY 9 10 LEU 10 11 SER 11 12 LYS 12 13 TYR 13 14 GLU 14 15 SER 15 16 ILE 16 17 ASP 17 18 GLU 18 19 ASP 19 20 GLU 20 21 LEU 21 22 LEU 22 23 ALA 23 24 SER 24 25 LEU 25 26 SER 26 27 ALA 27 28 GLU 28 29 GLU 29 30 LEU 30 31 LYS 31 32 GLU 32 33 LEU 33 34 GLU 34 35 ARG 35 36 GLU 36 37 LEU 37 38 GLU 38 39 ASP 39 40 ILE 40 41 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ save_entity_2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_2 _Molecular_mass 3909.709 _Mol_thiol_state 'not present' _Details . _Residue_count 33 _Mol_residue_sequence ; GMDAIKKKMQMLKLDNYHLE NEVARLKKLVGER ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 0 GLY 2 1 MET 3 2 ASP 4 3 ALA 5 4 ILE 6 5 LYS 7 6 LYS 8 7 LYS 9 8 MET 10 9 GLN 11 10 MET 12 11 LEU 13 12 LYS 14 13 LEU 15 14 ASP 16 15 ASN 17 16 TYR 18 17 HIS 19 18 LEU 20 19 GLU 21 20 ASN 22 21 GLU 23 22 VAL 24 23 ALA 25 24 ARG 26 25 LEU 27 26 LYS 28 27 LYS 29 28 LEU 30 29 VAL 31 30 GLY 32 31 GLU 33 32 ARG 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 Human 9606 Eukaryota Metazoa Homo sapiens LMOD2 $entity_2 Human 9606 Eukaryota Metazoa Homo sapiens 'TPM1, C15orf13, TMSA' 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' . . . BL21(DE3) . $entity_2 'recombinant technology' . . . BL21(DE3) . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '0.5 mM [U-13C; U-15N] leiomodin peptide, 1 mM tropomyosin peptide, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.5 mM '[U-13C; U-15N]' $entity_2 1 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '0.5 mM [U-13C; U-15N] tropomyosin peptide, 1 mM leiomodin peptide, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1 mM 'natural abundance' $entity_2 0.5 mM '[U-13C; U-15N]' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details '0.3 mM [U-15N] leiomodin peptide, 0.6 mM tropomyosin peptide, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.3 mM [U-15N] $entity_2 0.6 mM 'natural abundance' stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details '0.3 mM [U-15N] tropomyosin peptide, 0.6 mM leiomodin peptide, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.6 mM 'natural abundance' $entity_2 0.3 mM [U-15N] stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name Amber _Version . loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, and Kollman' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_software_2 _Saveframe_category software _Name TALOS _Version TALOS+ loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name NMRView _Version 9.2.0-b4 loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details 'NMRViewJ Version 9.2.0-b4 with Java 1.8.0_92 x86_64' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model VNMRS _Field_strength 600 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_3 save_ save_2D_1H-15N_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_aliphatic_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aromatic_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_1 save_ save_3D_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCA_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_HNCO_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_HN(CO)CA_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_2 save_ save_3D_HNCA_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_3D_CBCA(CO)NH_17 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_2 save_ save_3D_HCCH-TOCSY_18 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_3D_HNCACB_19 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_2D_1H-15N_HSQC_20 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_21 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_2 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' 0.081 0.002 M pH 6.5 0.1 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 . 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 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0 internal direct . . . 1 DSS N 15 'methyl protons' ppm 0 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_chemical_shifts_1_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC aliphatic' '2D 1H-13C HSQC aromatic' '3D HNCO' '3D HN(CO)CA' '3D HNCA' '3D CBCA(CO)NH' '3D HBHA(CO)NH' '3D HCCH-TOCSY' '3D 1H-15N NOESY' '3D 1H-13C NOESY' '3D HNCACB' stop_ loop_ _Sample_label $sample_3 $sample_1 $sample_2 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 3 2 THR HA H 4.2990 0.0000 1 2 3 2 THR HB H 4.1170 0.0000 1 3 3 2 THR HG2 H 1.0890 0.0000 1 4 3 2 THR C C 174.2350 0.0000 1 5 3 2 THR CA C 62.4380 0.0000 1 6 3 2 THR CB C 69.9940 0.0000 1 7 3 2 THR CG2 C 21.6660 0.0000 1 8 4 3 PHE H H 8.3450 0.0000 1 9 4 3 PHE HA H 4.5730 0.0000 1 10 4 3 PHE HB2 H 3.0800 0.0000 2 11 4 3 PHE HB3 H 2.9650 0.0000 2 12 4 3 PHE C C 176.1430 0.0000 1 13 4 3 PHE CA C 58.2780 0.0000 1 14 4 3 PHE CB C 39.6290 0.0000 1 15 4 3 PHE N N 122.1510 0.0000 1 16 5 4 GLY H H 8.2560 0.0000 1 17 5 4 GLY HA2 H 3.8560 0.0000 2 18 5 4 GLY C C 173.7880 0.0000 1 19 5 4 GLY CA C 45.5640 0.0000 1 20 5 4 GLY N N 110.3480 0.0000 1 21 6 5 TYR H H 8.0080 0.0000 1 22 6 5 TYR HA H 4.4640 0.0000 1 23 6 5 TYR HB2 H 2.9490 0.0000 2 24 6 5 TYR HB3 H 2.9610 0.0000 2 25 6 5 TYR HD1 H 7.0610 0.0000 3 26 6 5 TYR HD2 H 7.0610 0.0000 3 27 6 5 TYR C C 175.7580 0.0000 1 28 6 5 TYR CA C 58.4340 0.0000 1 29 6 5 TYR CB C 38.8330 0.0000 1 30 6 5 TYR N N 120.4000 0.0000 1 31 7 6 ARG H H 8.0850 0.0000 1 32 7 6 ARG HA H 4.2010 0.0000 1 33 7 6 ARG HB2 H 1.7830 0.0000 2 34 7 6 ARG HB3 H 1.6630 0.0000 2 35 7 6 ARG HG2 H 1.4910 0.0000 2 36 7 6 ARG HD2 H 3.1010 0.0000 2 37 7 6 ARG C C 175.8100 0.0000 1 38 7 6 ARG CA C 56.1770 0.0000 1 39 7 6 ARG CB C 30.8690 0.0000 1 40 7 6 ARG CG C 27.1740 0.0000 1 41 7 6 ARG CD C 43.3970 0.0000 1 42 7 6 ARG N N 122.8490 0.0000 1 43 8 7 ARG H H 8.2170 0.0000 1 44 8 7 ARG HA H 4.2070 0.0000 1 45 8 7 ARG HB2 H 1.7700 0.0000 2 46 8 7 ARG HG2 H 1.6110 0.0000 2 47 8 7 ARG HD2 H 3.1490 0.0000 2 48 8 7 ARG C C 176.8710 0.0000 1 49 8 7 ARG CA C 56.7400 0.0000 1 50 8 7 ARG CB C 30.7240 0.0000 1 51 8 7 ARG CG C 27.2130 0.0000 1 52 8 7 ARG CD C 43.3860 0.0000 1 53 8 7 ARG N N 121.7570 0.0000 1 54 9 8 GLY H H 8.4960 0.0000 1 55 9 8 GLY HA2 H 3.9440 0.0000 2 56 9 8 GLY C C 174.2620 0.0000 1 57 9 8 GLY CA C 45.5770 0.0000 1 58 9 8 GLY N N 110.0400 0.0000 1 59 10 9 LEU H H 8.0700 0.0000 1 60 10 9 LEU HA H 4.3680 0.0000 1 61 10 9 LEU HB2 H 1.6000 0.0000 2 62 10 9 LEU HG H 1.5910 0.0000 1 63 10 9 LEU HD1 H 0.8720 0.0000 2 64 10 9 LEU HD2 H 0.8250 0.0000 2 65 10 9 LEU C C 177.7160 0.0000 1 66 10 9 LEU CA C 55.4390 0.0000 1 67 10 9 LEU CB C 42.5860 0.0000 1 68 10 9 LEU CG C 27.0980 0.0000 1 69 10 9 LEU CD1 C 25.1750 0.0000 2 70 10 9 LEU CD2 C 23.5180 0.0000 2 71 10 9 LEU N N 121.1100 0.0000 1 72 11 10 SER H H 8.3260 0.0000 1 73 11 10 SER HA H 4.4120 0.0000 1 74 11 10 SER HB2 H 3.9000 0.0000 2 75 11 10 SER C C 175.2320 0.0000 1 76 11 10 SER CA C 58.9000 0.0000 1 77 11 10 SER CB C 63.9610 0.0000 1 78 11 10 SER N N 116.2270 0.0000 1 79 12 11 LYS H H 8.3030 0.0000 1 80 12 11 LYS HA H 4.1450 0.0000 1 81 12 11 LYS HB2 H 1.5690 0.0000 2 82 12 11 LYS HG2 H 1.0800 0.0000 2 83 12 11 LYS HD2 H 1.5510 0.0000 2 84 12 11 LYS HE2 H 2.8750 0.0000 2 85 12 11 LYS C C 176.5590 0.0000 1 86 12 11 LYS CA C 57.5760 0.0000 1 87 12 11 LYS CB C 32.5160 0.0000 1 88 12 11 LYS CG C 24.3140 0.0000 1 89 12 11 LYS CD C 29.2600 0.0000 1 90 12 11 LYS CE C 42.0940 0.0000 1 91 12 11 LYS N N 122.5880 0.0000 1 92 13 12 TYR H H 7.9680 0.0000 1 93 13 12 TYR HA H 4.5490 0.0000 1 94 13 12 TYR HB2 H 2.8460 0.0000 2 95 13 12 TYR HD1 H 7.0730 0.0000 3 96 13 12 TYR HE1 H 6.8540 0.0000 3 97 13 12 TYR C C 175.8400 0.0000 1 98 13 12 TYR CA C 57.9750 0.0000 1 99 13 12 TYR CB C 38.8150 0.0000 1 100 13 12 TYR N N 118.5060 0.0000 1 101 14 13 GLU H H 7.9260 0.0000 1 102 14 13 GLU HA H 4.2660 0.0000 1 103 14 13 GLU HB2 H 2.0320 0.0000 2 104 14 13 GLU HG2 H 2.2560 0.0000 2 105 14 13 GLU C C 176.3540 0.0000 1 106 14 13 GLU CA C 57.0840 0.0000 1 107 14 13 GLU CB C 30.5860 0.0000 1 108 14 13 GLU N N 120.9200 0.0000 1 109 15 14 SER H H 8.2050 0.0000 1 110 15 14 SER HA H 4.4760 0.0000 1 111 15 14 SER HB2 H 3.8820 0.0000 2 112 15 14 SER HB3 H 3.8860 0.0000 2 113 15 14 SER C C 174.5280 0.0000 1 114 15 14 SER CA C 58.6400 0.0000 1 115 15 14 SER CB C 63.9360 0.0000 1 116 15 14 SER N N 115.5620 0.0000 1 117 16 15 ILE H H 7.8970 0.0000 1 118 16 15 ILE HA H 4.1650 0.0000 1 119 16 15 ILE HB H 1.8770 0.0000 1 120 16 15 ILE HG12 H 1.4960 0.0000 2 121 16 15 ILE HG13 H 1.1830 0.0000 2 122 16 15 ILE HG2 H 0.8760 0.0000 1 123 16 15 ILE HD1 H 0.8350 0.0000 1 124 16 15 ILE C C 175.2770 0.0000 1 125 16 15 ILE CA C 61.3700 0.0000 1 126 16 15 ILE CB C 39.1920 0.0000 1 127 16 15 ILE CG1 C 27.3100 0.0000 1 128 16 15 ILE CG2 C 17.7330 0.0000 1 129 16 15 ILE CD1 C 13.6120 0.0000 1 130 16 15 ILE N N 121.7460 0.0000 1 131 17 16 ASP H H 8.4010 0.0000 1 132 17 16 ASP HA H 4.6190 0.0000 1 133 17 16 ASP HB2 H 2.8020 0.0000 2 134 17 16 ASP HB3 H 2.6050 0.0000 2 135 17 16 ASP C C 176.6270 0.0000 1 136 17 16 ASP CA C 54.1820 0.0000 1 137 17 16 ASP CB C 41.0670 0.0000 1 138 17 16 ASP N N 123.9060 0.0000 1 139 18 17 GLU H H 8.8140 0.0000 1 140 18 17 GLU HA H 3.9380 0.0000 1 141 18 17 GLU HB2 H 2.0150 0.0000 2 142 18 17 GLU HG2 H 2.2840 0.0000 2 143 18 17 GLU C C 177.1540 0.0000 1 144 18 17 GLU CA C 59.5310 0.0000 1 145 18 17 GLU CB C 29.5700 0.0000 1 146 18 17 GLU N N 122.6520 0.0000 1 147 19 18 ASP H H 8.2510 0.0000 1 148 19 18 ASP HA H 4.3460 0.0000 1 149 19 18 ASP HB2 H 2.7000 0.0000 2 150 19 18 ASP C C 178.6570 0.0000 1 151 19 18 ASP CA C 57.6710 0.0000 1 152 19 18 ASP CB C 40.3960 0.0000 1 153 19 18 ASP N N 119.7310 0.0000 1 154 20 19 GLU H H 7.9920 0.0000 1 155 20 19 GLU HA H 4.0540 0.0000 1 156 20 19 GLU HB2 H 2.0790 0.0000 2 157 20 19 GLU HG2 H 2.2580 0.0000 2 158 20 19 GLU C C 178.9740 0.0000 1 159 20 19 GLU CA C 58.8200 0.0000 1 160 20 19 GLU CB C 29.7710 0.0000 1 161 20 19 GLU N N 120.6940 0.0000 1 162 21 20 LEU H H 7.9280 0.0000 1 163 21 20 LEU HA H 4.1020 0.0000 1 164 21 20 LEU C C 180.1970 0.0000 1 165 21 20 LEU CA C 57.5910 0.0000 1 166 21 20 LEU CB C 42.2300 0.0000 1 167 21 20 LEU N N 119.6800 0.0000 1 168 22 21 LEU H H 8.2810 0.0000 1 169 22 21 LEU HA H 4.1290 0.0000 1 170 22 21 LEU C C 178.4000 0.0000 1 171 22 21 LEU CA C 57.5130 0.0000 1 172 22 21 LEU CB C 42.4580 0.0000 1 173 22 21 LEU N N 118.8600 0.0000 1 174 23 22 ALA H H 7.6410 0.0000 1 175 23 22 ALA HA H 4.2040 0.0000 1 176 23 22 ALA HB H 1.4940 0.0000 1 177 23 22 ALA C C 177.9830 0.0000 1 178 23 22 ALA CA C 54.1430 0.0000 1 179 23 22 ALA CB C 18.6900 0.0000 1 180 23 22 ALA N N 118.4120 0.0000 1 181 24 23 SER H H 7.5920 0.0000 1 182 24 23 SER HA H 4.4950 0.0000 1 183 24 23 SER HB2 H 4.0230 0.0000 2 184 24 23 SER HB3 H 4.0230 0.0000 2 185 24 23 SER C C 174.4160 0.0000 1 186 24 23 SER CA C 58.7510 0.0000 1 187 24 23 SER CB C 64.4210 0.0000 1 188 24 23 SER N N 111.3740 0.0000 1 189 25 24 LEU H H 7.1640 0.0000 1 190 25 24 LEU HA H 4.0780 0.0000 1 191 25 24 LEU C C 177.3970 0.0000 1 192 25 24 LEU CA C 54.8410 0.0000 1 193 25 24 LEU CB C 42.2290 0.0000 1 194 25 24 LEU N N 122.3980 0.0000 1 195 26 25 SER H H 9.4100 0.0000 1 196 26 25 SER HA H 4.5380 0.0000 1 197 26 25 SER HB2 H 4.1110 0.0000 2 198 26 25 SER C C 174.6760 0.0000 1 199 26 25 SER CA C 57.1920 0.0000 1 200 26 25 SER CB C 65.8580 0.0000 1 201 26 25 SER N N 119.2900 0.0000 1 202 27 26 ALA H H 9.0060 0.0000 1 203 27 26 ALA HA H 4.1100 0.0000 1 204 27 26 ALA HB H 1.5180 0.0000 1 205 27 26 ALA C C 181.0490 0.0000 1 206 27 26 ALA CA C 55.9070 0.0000 1 207 27 26 ALA CB C 18.2590 0.0000 1 208 27 26 ALA N N 122.9690 0.0000 1 209 28 27 GLU H H 8.6810 0.0000 1 210 28 27 GLU HA H 4.0650 0.0000 1 211 28 27 GLU HB2 H 2.0560 0.0000 2 212 28 27 GLU HB3 H 1.5310 0.0000 2 213 28 27 GLU HG2 H 2.4050 0.0000 2 214 28 27 GLU C C 179.6010 0.0000 1 215 28 27 GLU CA C 59.9670 0.0000 1 216 28 27 GLU CB C 29.3820 0.0000 1 217 28 27 GLU N N 117.4870 0.0000 1 218 29 28 GLU H H 7.8210 0.0000 1 219 29 28 GLU HA H 4.0700 0.0000 1 220 29 28 GLU HB2 H 2.0650 0.0000 2 221 29 28 GLU HG2 H 2.3800 0.0000 2 222 29 28 GLU C C 178.9340 0.0000 1 223 29 28 GLU CA C 59.3790 0.0000 1 224 29 28 GLU CB C 30.9740 0.0000 1 225 29 28 GLU N N 121.7850 0.0000 1 226 30 29 LEU H H 8.5670 0.0000 1 227 30 29 LEU HA H 3.9550 0.0000 1 228 30 29 LEU HB3 H 1.5220 0.0000 2 229 30 29 LEU HD1 H 0.8990 0.0000 2 230 30 29 LEU C C 179.2240 0.0000 1 231 30 29 LEU CA C 58.3640 0.0000 1 232 30 29 LEU CB C 42.0380 0.0000 1 233 30 29 LEU CD1 C 25.7320 0.0000 2 234 30 29 LEU N N 119.7200 0.0000 1 235 31 30 LYS H H 7.6980 0.0000 1 236 31 30 LYS HA H 4.1120 0.0000 1 237 31 30 LYS HB2 H 1.9540 0.0000 2 238 31 30 LYS HG2 H 1.6160 0.0000 2 239 31 30 LYS HG3 H 1.4780 0.0000 2 240 31 30 LYS HD2 H 1.7240 0.0000 2 241 31 30 LYS HE2 H 2.9770 0.0000 2 242 31 30 LYS C C 179.2600 0.0000 1 243 31 30 LYS CA C 59.5030 0.0000 1 244 31 30 LYS CB C 32.1480 0.0000 1 245 31 30 LYS CG C 25.0110 0.0000 1 246 31 30 LYS CD C 29.2280 0.0000 1 247 31 30 LYS CE C 42.1210 0.0000 1 248 31 30 LYS N N 119.0200 0.0000 1 249 32 31 GLU H H 7.7110 0.0000 1 250 32 31 GLU HA H 4.0500 0.0000 1 251 32 31 GLU HG2 H 2.1910 0.0000 2 252 32 31 GLU C C 178.8640 0.0000 1 253 32 31 GLU CA C 59.2140 0.0000 1 254 32 31 GLU CB C 29.5680 0.0000 1 255 32 31 GLU N N 119.9650 0.0000 1 256 33 32 LEU H H 8.2960 0.0000 1 257 33 32 LEU HA H 4.0560 0.0000 1 258 33 32 LEU C C 178.1950 0.0000 1 259 33 32 LEU CA C 57.6660 0.0000 1 260 33 32 LEU CB C 41.7120 0.0000 1 261 33 32 LEU N N 120.4280 0.0000 1 262 34 33 GLU H H 8.2920 0.0000 1 263 34 33 GLU HA H 3.7570 0.0000 1 264 34 33 GLU HB2 H 2.1090 0.0000 2 265 34 33 GLU HG2 H 2.3300 0.0000 2 266 34 33 GLU C C 179.0000 0.0000 1 267 34 33 GLU CA C 60.4690 0.0000 1 268 34 33 GLU CB C 29.7490 0.0000 1 269 34 33 GLU N N 117.9970 0.0000 1 270 35 34 ARG H H 7.6610 0.0000 1 271 35 34 ARG HA H 4.1060 0.0000 1 272 35 34 ARG HB2 H 1.9780 0.0000 2 273 35 34 ARG HG2 H 1.7890 0.0000 2 274 35 34 ARG HG3 H 1.6680 0.0000 2 275 35 34 ARG HD2 H 3.2420 0.0000 2 276 35 34 ARG C C 179.0770 0.0000 1 277 35 34 ARG CA C 59.1470 0.0000 1 278 35 34 ARG CB C 29.9180 0.0000 1 279 35 34 ARG CG C 27.2750 0.0000 1 280 35 34 ARG CD C 43.4190 0.0000 1 281 35 34 ARG N N 118.3390 0.0000 1 282 36 35 GLU H H 7.9380 0.0000 1 283 36 35 GLU HA H 4.1220 0.0000 1 284 36 35 GLU HB2 H 2.1290 0.0000 2 285 36 35 GLU HB3 H 1.9710 0.0000 2 286 36 35 GLU HG2 H 2.3640 0.0000 2 287 36 35 GLU C C 178.2010 0.0000 1 288 36 35 GLU CA C 58.3230 0.0000 1 289 36 35 GLU CB C 29.5560 0.0000 1 290 36 35 GLU N N 118.7560 0.0000 1 291 37 36 LEU H H 7.7780 0.0000 1 292 37 36 LEU HA H 4.2920 0.0000 1 293 37 36 LEU HB2 H 1.6020 0.0000 2 294 37 36 LEU HB3 H 1.6020 0.0000 2 295 37 36 LEU HD1 H 0.8670 0.0000 2 296 37 36 LEU C C 177.8600 0.0000 1 297 37 36 LEU CA C 55.6480 0.0000 1 298 37 36 LEU CB C 42.0490 0.0000 1 299 37 36 LEU N N 117.1650 0.0000 1 300 38 37 GLU H H 7.5550 0.0000 1 301 38 37 GLU HA H 4.1480 0.0000 1 302 38 37 GLU HB2 H 2.1130 0.0000 2 303 38 37 GLU HB3 H 2.1130 0.0000 2 304 38 37 GLU HG2 H 2.3730 0.0000 2 305 38 37 GLU C C 176.5780 0.0000 1 306 38 37 GLU CA C 57.9540 0.0000 1 307 38 37 GLU CB C 30.1200 0.0000 1 308 38 37 GLU N N 119.2740 0.0000 1 309 39 38 ASP H H 8.0910 0.0000 1 310 39 38 ASP HA H 4.6260 0.0000 1 311 39 38 ASP HB2 H 2.7080 0.0000 2 312 39 38 ASP HB3 H 2.7150 0.0000 2 313 39 38 ASP C C 175.9190 0.0000 1 314 39 38 ASP CA C 54.6920 0.0000 1 315 39 38 ASP CB C 40.8130 0.0000 1 316 39 38 ASP N N 118.3300 0.0000 1 317 40 39 ILE H H 7.7410 0.0000 1 318 40 39 ILE HA H 4.1980 0.0000 1 319 40 39 ILE HB H 1.9740 0.0000 1 320 40 39 ILE HG12 H 1.5020 0.0000 2 321 40 39 ILE HG13 H 1.2510 0.0000 2 322 40 39 ILE HG2 H 0.9370 0.0000 1 323 40 39 ILE HD1 H 0.8560 0.0000 1 324 40 39 ILE C C 174.9750 0.0000 1 325 40 39 ILE CA C 61.3330 0.0000 1 326 40 39 ILE CB C 38.5250 0.0000 1 327 40 39 ILE CG1 C 27.2970 0.0000 1 328 40 39 ILE CG2 C 17.8220 0.0000 1 329 40 39 ILE CD1 C 13.3880 0.0000 1 330 40 39 ILE N N 119.9680 0.0000 1 331 41 40 GLU H H 7.8850 0.0000 1 332 41 40 GLU HA H 4.1020 0.0000 1 333 41 40 GLU HB2 H 2.0260 0.0000 2 334 41 40 GLU HB3 H 1.9060 0.0000 2 335 41 40 GLU HG2 H 2.2190 0.0000 2 336 41 40 GLU CA C 58.3640 0.0000 1 337 41 40 GLU CB C 31.3560 0.0000 1 338 41 40 GLU CG C 36.6210 0.0000 1 339 41 40 GLU N N 129.5220 0.0000 1 stop_ save_ save_assigned_chemical_shifts_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC aliphatic' '2D 1H-13C HSQC aromatic' '3D HNCO' '3D HN(CO)CA' '3D HNCA' '3D CBCA(CO)NH' '3D HBHA(CO)NH' '3D HCCH-TOCSY' '3D 1H-15N NOESY' '3D 1H-13C NOESY' '3D HNCACB' stop_ loop_ _Sample_label $sample_3 $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name 'entity_2, 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 1 2 MET HA H 4.1130 0.0000 1 2 1 2 MET HB2 H 2.1100 0.0000 2 3 1 2 MET HG2 H 2.5390 0.0000 2 4 1 2 MET C C 176.7840 0.0000 1 5 1 2 MET CA C 58.5760 0.0000 1 6 1 2 MET CB C 32.7600 0.0000 1 7 1 2 MET CG C 32.0310 0.0000 1 8 2 3 ASP H H 8.6420 0.0000 1 9 2 3 ASP HA H 4.2780 0.0000 1 10 2 3 ASP HB2 H 2.6590 0.0000 2 11 2 3 ASP C C 177.8780 0.0000 1 12 2 3 ASP CA C 57.6720 0.0000 1 13 2 3 ASP CB C 40.4260 0.0000 1 14 2 3 ASP N N 118.4230 0.0000 1 15 3 4 ALA H H 7.9610 0.0000 1 16 3 4 ALA HA H 4.1100 0.0000 1 17 3 4 ALA HB H 1.4930 0.0000 1 18 3 4 ALA C C 180.5520 0.0000 1 19 3 4 ALA CA C 55.2240 0.0000 1 20 3 4 ALA CB C 18.5030 0.0000 1 21 3 4 ALA N N 121.7940 0.0000 1 22 4 5 ILE H H 7.6400 0.0000 1 23 4 5 ILE HA H 3.6750 0.0000 1 24 4 5 ILE HB H 1.9400 0.0000 1 25 4 5 ILE HG12 H 1.6800 0.0000 2 26 4 5 ILE HG13 H 1.0510 0.0000 2 27 4 5 ILE HG2 H 0.8620 0.0000 1 28 4 5 ILE HD1 H 0.8370 0.0000 1 29 4 5 ILE C C 177.3890 0.0000 1 30 4 5 ILE CA C 64.2670 0.0000 1 31 4 5 ILE CB C 37.7110 0.0000 1 32 4 5 ILE CG2 C 18.2320 0.0000 1 33 4 5 ILE CD1 C 13.7780 0.0000 1 34 4 5 ILE N N 118.2450 0.0000 1 35 5 6 LYS H H 8.2370 0.0000 1 36 5 6 LYS HA H 3.8130 0.0000 1 37 5 6 LYS HB2 H 1.9120 0.0000 2 38 5 6 LYS HD2 H 1.6600 0.0000 2 39 5 6 LYS HE2 H 2.9040 0.0000 2 40 5 6 LYS C C 178.9050 0.0000 1 41 5 6 LYS CA C 60.5080 0.0000 1 42 5 6 LYS CB C 32.3600 0.0000 1 43 5 6 LYS CD C 29.5900 0.0000 1 44 5 6 LYS N N 120.1570 0.0000 1 45 6 7 LYS H H 8.0850 0.0000 1 46 6 7 LYS HA H 4.0930 0.0000 1 47 6 7 LYS HB2 H 1.8780 0.0000 2 48 6 7 LYS C C 178.8540 0.0000 1 49 6 7 LYS CA C 59.3920 0.0000 1 50 6 7 LYS CB C 32.3500 0.0000 1 51 6 7 LYS N N 118.3720 0.0000 1 52 7 8 LYS H H 7.8060 0.0000 1 53 7 8 LYS C C 178.9930 0.0000 1 54 7 8 LYS CA C 59.6240 0.0000 1 55 7 8 LYS CB C 32.7980 0.0000 1 56 7 8 LYS N N 119.5010 0.0000 1 57 8 9 MET H H 8.3190 0.0000 1 58 8 9 MET HA H 4.0810 0.0000 1 59 8 9 MET HB2 H 1.9870 0.0000 2 60 8 9 MET HG2 H 2.7350 0.0000 2 61 8 9 MET HG3 H 2.5250 0.0000 2 62 8 9 MET C C 178.0720 0.0000 1 63 8 9 MET CA C 59.4290 0.0000 1 64 8 9 MET CB C 33.0500 0.0000 1 65 8 9 MET CG C 32.9350 0.0000 1 66 8 9 MET N N 117.5460 0.0000 1 67 9 10 GLN H H 8.3700 0.0000 1 68 9 10 GLN HA H 4.0400 0.0000 1 69 9 10 GLN HB2 H 2.2740 0.0000 2 70 9 10 GLN HB3 H 2.1100 0.0000 2 71 9 10 GLN HG2 H 2.5250 0.0000 2 72 9 10 GLN HG3 H 2.3630 0.0000 2 73 9 10 GLN HE21 H 7.4970 0.0000 2 74 9 10 GLN HE22 H 6.8520 0.0000 2 75 9 10 GLN C C 178.8010 0.0000 1 76 9 10 GLN CA C 59.3580 0.0000 1 77 9 10 GLN CB C 28.3070 0.0000 1 78 9 10 GLN CG C 33.9880 0.0000 1 79 9 10 GLN N N 118.5100 0.0000 1 80 9 10 GLN NE2 N 111.0180 0.0000 1 81 10 11 MET H H 8.3230 0.0000 1 82 10 11 MET HA H 4.1440 0.0000 1 83 10 11 MET HB2 H 2.2390 0.0000 2 84 10 11 MET HG2 H 2.7500 0.0000 2 85 10 11 MET HG3 H 2.6260 0.0000 2 86 10 11 MET C C 178.4740 0.0000 1 87 10 11 MET CA C 58.8080 0.0000 1 88 10 11 MET CB C 32.3530 0.0000 1 89 10 11 MET CG C 32.1370 0.0000 1 90 10 11 MET N N 118.9070 0.0000 1 91 11 12 LEU H H 8.0520 0.0000 1 92 11 12 LEU HA H 4.1500 0.0000 1 93 11 12 LEU CA C 58.4760 0.0000 1 94 11 12 LEU N N 120.2640 0.0000 1 95 12 13 LYS C C 178.9050 0.0000 1 96 12 13 LYS CA C 58.3240 0.0000 1 97 13 14 LEU H H 8.0220 0.0000 1 98 13 14 LEU C C 179.1360 0.0000 1 99 13 14 LEU CA C 60.1400 0.0000 1 100 13 14 LEU N N 118.4680 0.0000 1 101 14 15 ASP H H 8.2620 0.0000 1 102 14 15 ASP HA H 4.1500 0.0000 1 103 14 15 ASP C C 179.4100 0.0000 1 104 14 15 ASP CA C 58.0290 0.0000 1 105 14 15 ASP CB C 41.8030 0.0000 1 106 14 15 ASP N N 121.3330 0.0000 1 107 15 16 ASN H H 8.6340 0.0000 1 108 15 16 ASN HA H 4.5790 0.0000 1 109 15 16 ASN HB2 H 2.8870 0.0000 2 110 15 16 ASN HB3 H 2.6080 0.0000 2 111 15 16 ASN C C 176.8880 0.0000 1 112 15 16 ASN CA C 57.7180 0.0000 1 113 15 16 ASN CB C 38.8540 0.0000 1 114 15 16 ASN N N 120.9790 0.0000 1 115 16 17 TYR H H 8.0080 0.0000 1 116 16 17 TYR HA H 4.3720 0.0000 1 117 16 17 TYR HB2 H 3.2370 0.0000 2 118 16 17 TYR C C 178.1910 0.0000 1 119 16 17 TYR CA C 60.8200 0.0000 1 120 16 17 TYR CB C 38.1480 0.0000 1 121 16 17 TYR N N 120.1800 0.0000 1 122 17 18 HIS H H 8.4410 0.0000 1 123 17 18 HIS HA H 4.3650 0.0000 1 124 17 18 HIS HB2 H 3.3120 0.0000 2 125 17 18 HIS C C 178.6780 0.0000 1 126 17 18 HIS CA C 59.2030 0.0000 1 127 17 18 HIS CB C 29.1420 0.0000 1 128 17 18 HIS N N 118.5620 0.0000 1 129 18 19 LEU H H 8.9590 0.0000 1 130 18 19 LEU HA H 3.9410 0.0000 1 131 18 19 LEU C C 178.9080 0.0000 1 132 18 19 LEU CA C 58.3950 0.0000 1 133 18 19 LEU CB C 43.6120 0.0000 1 134 18 19 LEU N N 121.5480 0.0000 1 135 19 20 GLU H H 8.7910 0.0000 1 136 19 20 GLU HA H 3.9220 0.0000 1 137 19 20 GLU HB2 H 2.2250 0.0000 2 138 19 20 GLU HB3 H 2.0160 0.0000 2 139 19 20 GLU HG2 H 2.4620 0.0000 2 140 19 20 GLU HG3 H 2.2660 0.0000 2 141 19 20 GLU C C 180.2470 0.0000 1 142 19 20 GLU CA C 60.2000 0.0000 1 143 19 20 GLU CB C 29.3200 0.0000 1 144 19 20 GLU CG C 36.6320 0.0000 1 145 19 20 GLU N N 119.9430 0.0000 1 146 20 21 ASN H H 7.7580 0.0000 1 147 20 21 ASN HA H 4.3940 0.0000 1 148 20 21 ASN HB2 H 2.8600 0.0000 2 149 20 21 ASN HB3 H 2.7200 0.0000 2 150 20 21 ASN HD21 H 7.3980 0.0000 2 151 20 21 ASN HD22 H 5.7710 0.0000 2 152 20 21 ASN C C 178.0000 0.0000 1 153 20 21 ASN CA C 56.1550 0.0000 1 154 20 21 ASN CB C 38.0250 0.0000 1 155 20 21 ASN N N 118.5870 0.0000 1 156 20 21 ASN ND2 N 111.3790 0.0000 1 157 21 22 GLU H H 8.2060 0.0000 1 158 21 22 GLU HA H 4.4470 0.0000 1 159 21 22 GLU HB2 H 1.9800 0.0000 2 160 21 22 GLU HG2 H 2.1600 0.0000 2 161 21 22 GLU C C 178.4110 0.0000 1 162 21 22 GLU CA C 58.7080 0.0000 1 163 21 22 GLU CB C 30.0580 0.0000 1 164 21 22 GLU CG C 35.8020 0.0000 1 165 21 22 GLU N N 124.0340 0.0000 1 166 22 23 VAL H H 8.7250 0.0000 1 167 22 23 VAL HA H 3.3850 0.0000 1 168 22 23 VAL HB H 2.1330 0.0000 1 169 22 23 VAL HG1 H 1.0330 0.0000 2 170 22 23 VAL HG2 H 0.8730 0.0000 2 171 22 23 VAL C C 177.5470 0.0000 1 172 22 23 VAL CA C 67.6890 0.0000 1 173 22 23 VAL CB C 31.6340 0.0000 1 174 22 23 VAL CG1 C 25.4900 0.0000 2 175 22 23 VAL CG2 C 21.4910 0.0000 2 176 22 23 VAL N N 120.3100 0.0000 1 177 23 24 ALA H H 7.7580 0.0000 1 178 23 24 ALA HA H 4.0030 0.0000 1 179 23 24 ALA HB H 1.4990 0.0000 1 180 23 24 ALA C C 180.5240 0.0000 1 181 23 24 ALA CA C 55.5440 0.0000 1 182 23 24 ALA CB C 18.0220 0.0000 1 183 23 24 ALA N N 119.9320 0.0000 1 184 24 25 ARG H H 7.9860 0.0000 1 185 24 25 ARG HD2 H 2.9930 0.0000 2 186 24 25 ARG C C 179.5460 0.0000 1 187 24 25 ARG CA C 59.4780 0.0000 1 188 24 25 ARG CB C 30.8370 0.0000 1 189 24 25 ARG N N 119.6390 0.0000 1 190 25 26 LEU H H 8.4860 0.0000 1 191 25 26 LEU HA H 3.9810 0.0000 1 192 25 26 LEU HB2 H 1.2980 0.0000 2 193 25 26 LEU HD1 H 0.9450 0.0000 2 194 25 26 LEU HD2 H 0.8260 0.0000 2 195 25 26 LEU C C 179.2450 0.0000 1 196 25 26 LEU CA C 58.2170 0.0000 1 197 25 26 LEU CB C 43.8280 0.0000 1 198 25 26 LEU N N 120.4250 0.0000 1 199 26 27 LYS H H 9.0280 0.0000 1 200 26 27 LYS HA H 3.8300 0.0000 1 201 26 27 LYS HB2 H 1.8340 0.0000 2 202 26 27 LYS HG2 H 1.3100 0.0000 2 203 26 27 LYS HE2 H 2.8090 0.0000 2 204 26 27 LYS C C 179.6770 0.0000 1 205 26 27 LYS CA C 60.8040 0.0000 1 206 26 27 LYS CB C 32.5200 0.0000 1 207 26 27 LYS CE C 41.9350 0.0000 1 208 26 27 LYS N N 118.7110 0.0000 1 209 27 28 LYS H H 7.3780 0.0000 1 210 27 28 LYS HA H 4.1130 0.0000 1 211 27 28 LYS HB2 H 1.8970 0.0000 2 212 27 28 LYS HG2 H 1.4570 0.0000 2 213 27 28 LYS HD2 H 1.6900 0.0000 2 214 27 28 LYS HE2 H 2.9920 0.0000 2 215 27 28 LYS C C 179.0410 0.0000 1 216 27 28 LYS CA C 58.8930 0.0000 1 217 27 28 LYS CB C 32.3250 0.0000 1 218 27 28 LYS CG C 25.2120 0.0000 1 219 27 28 LYS CD C 29.1480 0.0000 1 220 27 28 LYS CE C 42.1800 0.0000 1 221 27 28 LYS N N 117.6000 0.0000 1 222 28 29 LEU H H 7.4720 0.0000 1 223 28 29 LEU HA H 4.1960 0.0000 1 224 28 29 LEU HB2 H 2.0510 0.0000 2 225 28 29 LEU HB3 H 1.6200 0.0000 2 226 28 29 LEU HG H 1.8300 0.0000 1 227 28 29 LEU HD1 H 0.9600 0.0000 2 228 28 29 LEU HD2 H 0.9100 0.0000 2 229 28 29 LEU C C 179.2190 0.0000 1 230 28 29 LEU CA C 57.4350 0.0000 1 231 28 29 LEU CB C 42.7010 0.0000 1 232 28 29 LEU CG C 26.7750 0.0000 1 233 28 29 LEU CD1 C 25.4200 0.0000 2 234 28 29 LEU CD2 C 25.2110 0.0000 2 235 28 29 LEU N N 118.9050 0.0000 1 236 29 30 VAL H H 7.7800 0.0000 1 237 29 30 VAL HA H 4.0800 0.0000 1 238 29 30 VAL HB H 2.2320 0.0000 1 239 29 30 VAL HG1 H 1.0080 0.0000 2 240 29 30 VAL HG2 H 0.9490 0.0000 2 241 29 30 VAL C C 176.8170 0.0000 1 242 29 30 VAL CA C 63.1000 0.0000 1 243 29 30 VAL CB C 32.4850 0.0000 1 244 29 30 VAL CG1 C 21.8750 0.0000 2 245 29 30 VAL CG2 C 21.7070 0.0000 2 246 29 30 VAL N N 113.7770 0.0000 1 247 30 31 GLY H H 7.8550 0.0000 1 248 30 31 GLY HA2 H 4.0920 0.0000 2 249 30 31 GLY HA3 H 3.8850 0.0000 2 250 30 31 GLY C C 174.7170 0.0000 1 251 30 31 GLY CA C 45.9000 0.0000 1 252 30 31 GLY N N 109.0680 0.0000 1 253 31 32 GLU H H 7.9730 0.0000 1 254 31 32 GLU HA H 4.3560 0.0000 1 255 31 32 GLU HB2 H 2.0310 0.0000 2 256 31 32 GLU HB3 H 1.7800 0.0000 2 257 31 32 GLU HG2 H 2.2500 0.0000 2 258 31 32 GLU C C 175.4530 0.0000 1 259 31 32 GLU CA C 56.4000 0.0000 1 260 31 32 GLU CB C 31.2630 0.0000 1 261 31 32 GLU CG C 36.7670 0.0000 1 262 31 32 GLU N N 120.7080 0.0000 1 263 32 33 ARG H H 7.9200 0.0000 1 264 32 33 ARG HA H 4.1350 0.0000 1 265 32 33 ARG HB2 H 1.8260 0.0000 2 266 32 33 ARG HB3 H 1.6790 0.0000 2 267 32 33 ARG HG2 H 1.5990 0.0000 2 268 32 33 ARG HD2 H 3.1870 0.0000 2 269 32 33 ARG CA C 57.5590 0.0000 1 270 32 33 ARG CB C 31.6830 0.0000 1 271 32 33 ARG CG C 27.2840 0.0000 1 272 32 33 ARG CD C 43.5240 0.0000 1 273 32 33 ARG N N 127.0380 0.0000 1 stop_ save_