data_15486 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Complete Chemical Shift Assignments and XPLOR restraints for YmoA ; _BMRB_accession_number 15486 _BMRB_flat_file_name bmr15486.str _Entry_type original _Submission_date 2007-09-24 _Accession_date 2007-09-24 _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 McFeeters Robert L. . 2 Byrd 'R. Andrew' . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 T1_relaxation 1 T2_relaxation 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 418 "13C chemical shifts" 319 "15N chemical shifts" 67 "T1 relaxation values" 62 "T2 relaxation values" 62 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-03-12 original author . stop_ _Original_release_date 2008-03-12 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'The high-precision solution structure of Yersinia modulating protein YmoA provides insight into interaction with H-NS' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 18001134 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 McFeeters Robert L. . 2 Altieri Amanda S. . 3 Cherry Scott . . 4 Tropea Joseph E. . 5 Waugh David S. . 6 Byrd 'R. Andrew' . . stop_ _Journal_abbreviation Biochemistry _Journal_volume 46 _Journal_issue 49 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 13975 _Page_last 13982 _Year 2007 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'YmoA monomer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label ymoa_1 $YmoA 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_YmoA _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common YmoA _Molecular_mass 8833.160 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 73 _Mol_residue_sequence ; GTKTDYLMRLRKCTTIDTLE RVIEKNKYELSDDELELFYS AADHRLAELTMNKLYDKIPP TVWQHVKHHHHHH ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 THR 3 LYS 4 THR 5 ASP 6 TYR 7 LEU 8 MET 9 ARG 10 LEU 11 ARG 12 LYS 13 CYS 14 THR 15 THR 16 ILE 17 ASP 18 THR 19 LEU 20 GLU 21 ARG 22 VAL 23 ILE 24 GLU 25 LYS 26 ASN 27 LYS 28 TYR 29 GLU 30 LEU 31 SER 32 ASP 33 ASP 34 GLU 35 LEU 36 GLU 37 LEU 38 PHE 39 TYR 40 SER 41 ALA 42 ALA 43 ASP 44 HIS 45 ARG 46 LEU 47 ALA 48 GLU 49 LEU 50 THR 51 MET 52 ASN 53 LYS 54 LEU 55 TYR 56 ASP 57 LYS 58 ILE 59 PRO 60 PRO 61 THR 62 VAL 63 TRP 64 GLN 65 HIS 66 VAL 67 LYS 68 HIS 69 HIS 70 HIS 71 HIS 72 HIS 73 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-08-26 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2K5S Ymoa 100.00 73 100.00 100.00 4.35e-45 DBJ GAE11657 "hemolysin expression-modulating protein Hha [Yersinia pseudotuberculosis NBRC 105692]" 90.41 67 100.00 100.00 2.18e-39 EMBL CAA41091 "ymoA [Yersinia enterocolitica W22703]" 90.41 67 100.00 100.00 2.18e-39 EMBL CAH20218 "hemolysin expression modulating protein (involved in environmental [Yersinia pseudotuberculosis IP 32953]" 90.41 67 100.00 100.00 2.18e-39 EMBL CAL13150 "modulating protein YmoA (histone-like protein) [Yersinia enterocolitica subsp. enterocolitica 8081]" 90.41 67 100.00 100.00 2.18e-39 EMBL CAL21733 "modulating protein YmoA (histone-like protein) [Yersinia pestis CO92]" 90.41 67 100.00 100.00 2.18e-39 EMBL CBX70721 "modulating protein ymoA [Yersinia enterocolitica W22703]" 90.41 67 100.00 100.00 2.18e-39 GB AAM84627 "haemolysin expression modulating protein [Yersinia pestis KIM10+]" 90.41 67 100.00 100.00 2.18e-39 GB AAQ90017 "YmoA [Yersinia enterocolitica]" 90.41 67 100.00 100.00 2.18e-39 GB AAS61058 "modulating protein YmoA (histone-like protein) [Yersinia pestis biovar Microtus str. 91001]" 90.41 67 100.00 100.00 2.18e-39 GB AAY16112 "YmoA [Yersinia enterocolitica]" 90.41 67 100.00 100.00 2.18e-39 GB AAY16113 "YmoA [Yersinia enterocolitica]" 90.41 67 100.00 100.00 2.18e-39 REF WP_002208622 "MULTISPECIES: modulating protein YmoA [Yersinia]" 90.41 67 100.00 100.00 2.18e-39 REF WP_016257260 "transcriptional regulator, partial [Yersinia pestis]" 83.56 62 100.00 100.00 6.38e-35 REF WP_016261370 "transcriptional regulator, partial [Yersinia pestis]" 72.60 54 100.00 100.00 4.70e-28 REF WP_016582302 "transcriptional regulator, partial [Yersinia pestis]" 84.93 63 100.00 100.00 2.93e-36 REF WP_016590523 "transcriptional regulator, partial [Yersinia pestis]" 80.82 60 100.00 100.00 1.86e-33 SP P0A3X0 "RecName: Full=Modulating protein YmoA; AltName: Full=Histone-like protein" 90.41 67 100.00 100.00 2.18e-39 SP P0A3X1 "RecName: Full=Modulating protein YmoA; AltName: Full=Histone-like protein" 90.41 67 100.00 100.00 2.18e-39 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $YmoA 'Yersinia pestis' 632 Bacteria . Yersinia pestis 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 $YmoA 'recombinant technology' . Escherichia coli . 'derivative of pMal-C2 (Invitrogen)' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $YmoA 1 mM '[U-99% 13C; U-99% 15N]' 'Sodium Phosphate' 50 mM 'natural abundance' NaCl 150 mM 'natural abundance' DTT 5 mM 'natural abundance' H2O 95 % . D2O 5 % . stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' stop_ _Details . save_ save_X-PLOR_NIH _Saveframe_category software _Name 'X-PLOR NIH' _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task refinement 'structure solution' 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_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _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 $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _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_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HCACO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCACO' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_Jmod-NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name Jmod-NH _Sample_label $sample_1 save_ save_Jmod-HaCa_11 _Saveframe_category NMR_applied_experiment _Experiment_name Jmod-HaCa _Sample_label $sample_1 save_ save_3D_H(CCO)NH_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_15N_T1_14 _Saveframe_category NMR_applied_experiment _Experiment_name '15N T1' _Sample_label $sample_1 save_ save_15N_T2_15 _Saveframe_category NMR_applied_experiment _Experiment_name '15N T2' _Sample_label $sample_1 save_ save_Jmod-CoCa_16 _Saveframe_category NMR_applied_experiment _Experiment_name Jmod-CoCa _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 150 . mM pH 6 . 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 water C 13 protons ppm 4.773 internal indirect . . . 0.101329118 water H 1 protons ppm 4.773 internal direct . . . 1 water N 15 protons ppm 4.773 internal indirect . . . 0.251449530 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 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $SPARKY $X-PLOR_NIH $NMRPipe stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D HNCACB' '3D HNCO' '3D HCACO' '3D HCCH-TOCSY' '3D H(CCO)NH' '3D C(CO)NH' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name ymoa_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 1 GLY HA2 H 3.89 0.02 1 2 1 1 GLY HA3 H 3.89 0.02 1 3 1 1 GLY C C 177.60 0.2 1 4 1 1 GLY CA C 43.20 0.2 1 5 2 2 THR H H 8.32 0.02 1 6 2 2 THR HA H 4.68 0.02 1 7 2 2 THR HB H 4.56 0.02 1 8 2 2 THR HG2 H 1.26 0.02 1 9 2 2 THR C C 174.22 0.2 1 10 2 2 THR CA C 60.31 0.2 1 11 2 2 THR CB C 72.06 0.2 1 12 2 2 THR CG2 C 21.69 0.2 1 13 2 2 THR N N 109.09 0.2 1 14 3 3 LYS H H 9.22 0.02 1 15 3 3 LYS HA H 4.10 0.02 1 16 3 3 LYS HB2 H 1.93 0.02 2 17 3 3 LYS HB3 H 2.06 0.02 2 18 3 3 LYS HD2 H 1.81 0.02 2 19 3 3 LYS HD3 H 1.73 0.02 2 20 3 3 LYS HE2 H 2.87 0.02 1 21 3 3 LYS HE3 H 2.87 0.02 1 22 3 3 LYS HG2 H 1.56 0.02 2 23 3 3 LYS HG3 H 1.35 0.02 2 24 3 3 LYS C C 178.05 0.2 1 25 3 3 LYS CA C 60.08 0.2 1 26 3 3 LYS CB C 32.66 0.2 1 27 3 3 LYS CD C 29.65 0.2 1 28 3 3 LYS CE C 42.02 0.2 1 29 3 3 LYS CG C 25.14 0.2 1 30 3 3 LYS N N 121.81 0.2 1 31 4 4 THR H H 8.17 0.02 1 32 4 4 THR HA H 3.82 0.02 1 33 4 4 THR HB H 3.99 0.02 1 34 4 4 THR HG2 H 1.15 0.02 1 35 4 4 THR C C 175.10 0.2 1 36 4 4 THR CA C 66.16 0.2 1 37 4 4 THR CB C 68.65 0.2 1 38 4 4 THR CG2 C 22.08 0.2 1 39 4 4 THR N N 113.57 0.2 1 40 5 5 ASP H H 7.92 0.02 1 41 5 5 ASP HA H 4.33 0.02 1 42 5 5 ASP HB2 H 2.56 0.02 2 43 5 5 ASP HB3 H 2.50 0.02 2 44 5 5 ASP C C 179.20 0.2 1 45 5 5 ASP CA C 57.05 0.2 1 46 5 5 ASP CB C 40.58 0.2 1 47 5 5 ASP N N 122.01 0.2 1 48 6 6 TYR H H 7.77 0.02 1 49 6 6 TYR HA H 4.38 0.02 1 50 6 6 TYR HB2 H 2.94 0.02 2 51 6 6 TYR HB3 H 2.85 0.02 2 52 6 6 TYR HD1 H 7.10 0.02 1 53 6 6 TYR HD2 H 7.10 0.02 1 54 6 6 TYR HE1 H 6.91 0.02 1 55 6 6 TYR HE2 H 6.91 0.02 1 56 6 6 TYR C C 178.15 0.2 1 57 6 6 TYR CA C 61.78 0.2 1 58 6 6 TYR CB C 38.37 0.2 1 59 6 6 TYR CD1 C 132.69 0.2 1 60 6 6 TYR CD2 C 132.69 0.2 1 61 6 6 TYR CE1 C 118.46 0.2 1 62 6 6 TYR CE2 C 118.46 0.2 1 63 6 6 TYR N N 117.39 0.2 1 64 7 7 LEU H H 8.86 0.02 1 65 7 7 LEU HA H 3.96 0.02 1 66 7 7 LEU HB2 H 2.01 0.02 2 67 7 7 LEU HB3 H 1.27 0.02 2 68 7 7 LEU HD1 H 0.38 0.02 1 69 7 7 LEU HD2 H 0.86 0.02 1 70 7 7 LEU HG H 1.36 0.02 1 71 7 7 LEU C C 177.85 0.2 1 72 7 7 LEU CA C 58.63 0.2 1 73 7 7 LEU CB C 41.65 0.2 1 74 7 7 LEU CD1 C 24.87 0.2 2 75 7 7 LEU CD2 C 23.00 0.2 2 76 7 7 LEU CG C 27.42 0.2 1 77 7 7 LEU N N 121.05 0.2 1 78 8 8 MET H H 8.36 0.02 1 79 8 8 MET HA H 4.23 0.02 1 80 8 8 MET HB2 H 2.26 0.02 2 81 8 8 MET HB3 H 2.08 0.02 2 82 8 8 MET HG2 H 2.83 0.02 2 83 8 8 MET HG3 H 2.76 0.02 2 84 8 8 MET C C 179.89 0.2 1 85 8 8 MET CA C 58.13 0.2 1 86 8 8 MET CB C 31.54 0.2 1 87 8 8 MET CG C 32.39 0.2 1 88 8 8 MET N N 115.93 0.2 1 89 9 9 ARG H H 7.45 0.02 1 90 9 9 ARG HA H 4.25 0.02 1 91 9 9 ARG HB2 H 2.14 0.02 2 92 9 9 ARG HB3 H 2.11 0.02 2 93 9 9 ARG HD2 H 3.31 0.02 2 94 9 9 ARG HD3 H 3.23 0.02 2 95 9 9 ARG HG2 H 1.93 0.02 2 96 9 9 ARG HG3 H 1.81 0.02 2 97 9 9 ARG C C 180.12 0.2 1 98 9 9 ARG CA C 59.34 0.2 1 99 9 9 ARG CB C 30.27 0.2 1 100 9 9 ARG CD C 43.95 0.2 1 101 9 9 ARG CG C 27.42 0.2 1 102 9 9 ARG N N 117.70 0.2 1 103 10 10 LEU H H 8.46 0.02 1 104 10 10 LEU HA H 4.46 0.02 1 105 10 10 LEU HB2 H 1.89 0.02 2 106 10 10 LEU HB3 H 1.41 0.02 2 107 10 10 LEU HD1 H 0.44 0.02 1 108 10 10 LEU HD2 H 0.94 0.02 1 109 10 10 LEU HG H 2.11 0.02 1 110 10 10 LEU C C 180.19 0.2 1 111 10 10 LEU CA C 56.78 0.2 1 112 10 10 LEU CB C 40.88 0.2 1 113 10 10 LEU CD1 C 25.14 0.2 2 114 10 10 LEU CD2 C 22.04 0.2 2 115 10 10 LEU CG C 25.86 0.2 1 116 10 10 LEU N N 119.69 0.2 1 117 11 11 ARG H H 8.51 0.02 1 118 11 11 ARG HA H 4.03 0.02 1 119 11 11 ARG HB2 H 2.10 0.02 2 120 11 11 ARG HB3 H 1.77 0.02 2 121 11 11 ARG HD2 H 3.11 0.02 2 122 11 11 ARG HD3 H 2.99 0.02 2 123 11 11 ARG HG2 H 2.00 0.02 2 124 11 11 ARG HG3 H 1.51 0.02 2 125 11 11 ARG C C 176.16 0.2 1 126 11 11 ARG CA C 58.66 0.2 1 127 11 11 ARG CB C 29.15 0.2 1 128 11 11 ARG CD C 43.43 0.2 1 129 11 11 ARG CG C 29.90 0.2 1 130 11 11 ARG N N 122.33 0.2 1 131 12 12 LYS H H 7.34 0.02 1 132 12 12 LYS HA H 4.25 0.02 1 133 12 12 LYS HB2 H 2.10 0.02 2 134 12 12 LYS HB3 H 1.98 0.02 2 135 12 12 LYS HD2 H 1.78 0.02 1 136 12 12 LYS HD3 H 1.78 0.02 1 137 12 12 LYS HE2 H 3.07 0.02 1 138 12 12 LYS HE3 H 3.07 0.02 1 139 12 12 LYS HG2 H 1.69 0.02 2 140 12 12 LYS HG3 H 1.57 0.02 2 141 12 12 LYS C C 177.77 0.2 1 142 12 12 LYS CA C 57.03 0.2 1 143 12 12 LYS CB C 32.35 0.2 1 144 12 12 LYS CD C 28.74 0.2 1 145 12 12 LYS CE C 42.34 0.2 1 146 12 12 LYS CG C 25.26 0.2 1 147 12 12 LYS N N 114.58 0.2 1 148 13 13 CYS H H 7.84 0.02 1 149 13 13 CYS HA H 4.58 0.02 1 150 13 13 CYS HB2 H 3.34 0.02 2 151 13 13 CYS HB3 H 2.90 0.02 2 152 13 13 CYS C C 174.75 0.2 1 153 13 13 CYS CA C 58.96 0.2 1 154 13 13 CYS CB C 27.61 0.2 1 155 13 13 CYS N N 117.45 0.2 1 156 14 14 THR HA H 4.27 0.02 1 157 14 14 THR HB H 4.56 0.02 1 158 14 14 THR HG2 H 1.21 0.02 1 159 14 14 THR C C 173.92 0.2 1 160 14 14 THR CA C 62.44 0.2 1 161 14 14 THR CB C 69.21 0.2 1 162 14 14 THR CG2 C 21.81 0.2 1 163 14 14 THR N N 117.95 0.2 1 164 15 15 THR H H 7.33 0.02 1 165 15 15 THR HA H 4.89 0.02 1 166 15 15 THR HB H 4.66 0.02 1 167 15 15 THR HG2 H 1.30 0.02 1 168 15 15 THR C C 174.29 0.2 1 169 15 15 THR CA C 59.00 0.2 1 170 15 15 THR CB C 73.01 0.2 1 171 15 15 THR CG2 C 22.12 0.2 1 172 15 15 THR N N 108.35 0.2 1 173 16 16 ILE H H 9.26 0.02 1 174 16 16 ILE HA H 3.66 0.02 1 175 16 16 ILE HB H 1.90 0.02 1 176 16 16 ILE HD1 H 0.92 0.02 1 177 16 16 ILE HG12 H 1.79 0.02 2 178 16 16 ILE HG13 H 1.03 0.02 2 179 16 16 ILE HG2 H 0.92 0.02 1 180 16 16 ILE C C 177.09 0.2 1 181 16 16 ILE CA C 65.68 0.2 1 182 16 16 ILE CB C 37.74 0.2 1 183 16 16 ILE CD1 C 13.18 0.2 1 184 16 16 ILE CG1 C 31.07 0.2 1 185 16 16 ILE CG2 C 17.39 0.2 1 186 16 16 ILE N N 123.61 0.2 1 187 17 17 ASP H H 8.56 0.02 1 188 17 17 ASP HA H 4.45 0.02 1 189 17 17 ASP HB2 H 2.80 0.02 2 190 17 17 ASP HB3 H 2.76 0.02 2 191 17 17 ASP C C 178.95 0.2 1 192 17 17 ASP CA C 57.69 0.2 1 193 17 17 ASP CB C 40.78 0.2 1 194 17 17 ASP N N 117.81 0.2 1 195 18 18 THR H H 7.82 0.02 1 196 18 18 THR HA H 4.06 0.02 1 197 18 18 THR HB H 4.30 0.02 1 198 18 18 THR HG2 H 1.44 0.02 1 199 18 18 THR C C 176.78 0.2 1 200 18 18 THR CA C 66.16 0.2 1 201 18 18 THR CB C 69.01 0.2 1 202 18 18 THR CG2 C 22.12 0.2 1 203 18 18 THR N N 112.61 0.2 1 204 19 19 LEU H H 7.95 0.02 1 205 19 19 LEU HA H 4.56 0.02 1 206 19 19 LEU HB2 H 2.35 0.02 2 207 19 19 LEU HB3 H 1.35 0.02 2 208 19 19 LEU HD1 H 1.05 0.02 2 209 19 19 LEU HD2 H 1.11 0.02 2 210 19 19 LEU HG H 1.75 0.02 1 211 19 19 LEU C C 178.30 0.2 1 212 19 19 LEU CA C 58.70 0.2 1 213 19 19 LEU CB C 41.97 0.2 1 214 19 19 LEU CD2 C 25.10 0.2 2 215 19 19 LEU CG C 26.99 0.2 1 216 19 19 LEU N N 123.07 0.2 1 217 20 20 GLU H H 8.93 0.02 1 218 20 20 GLU HA H 4.08 0.02 1 219 20 20 GLU HB2 H 2.29 0.02 2 220 20 20 GLU HB3 H 2.20 0.02 2 221 20 20 GLU HG2 H 2.63 0.02 2 222 20 20 GLU HG3 H 2.39 0.02 2 223 20 20 GLU C C 179.62 0.2 1 224 20 20 GLU CA C 60.07 0.2 1 225 20 20 GLU CB C 29.27 0.2 1 226 20 20 GLU CG C 36.73 0.2 1 227 20 20 GLU N N 116.62 0.2 1 228 21 21 ARG H H 7.72 0.02 1 229 21 21 ARG HA H 4.24 0.02 1 230 21 21 ARG HB2 H 2.12 0.02 2 231 21 21 ARG HB3 H 2.01 0.02 2 232 21 21 ARG HD2 H 3.30 0.02 2 233 21 21 ARG HD3 H 3.24 0.02 2 234 21 21 ARG HG2 H 1.95 0.02 2 235 21 21 ARG HG3 H 1.82 0.02 2 236 21 21 ARG C C 179.49 0.2 1 237 21 21 ARG CA C 59.59 0.2 1 238 21 21 ARG CB C 30.09 0.2 1 239 21 21 ARG CD C 43.51 0.2 1 240 21 21 ARG CG C 27.49 0.2 1 241 21 21 ARG N N 118.74 0.2 1 242 22 22 VAL H H 8.17 0.02 1 243 22 22 VAL HA H 3.77 0.02 1 244 22 22 VAL HB H 2.42 0.02 1 245 22 22 VAL HG1 H 1.03 0.02 2 246 22 22 VAL HG2 H 1.13 0.02 2 247 22 22 VAL C C 179.53 0.2 1 248 22 22 VAL CA C 66.82 0.2 1 249 22 22 VAL CB C 31.78 0.2 1 250 22 22 VAL CG1 C 21.96 0.2 2 251 22 22 VAL CG2 C 24.19 0.2 2 252 22 22 VAL N N 121.75 0.2 1 253 23 23 ILE H H 8.86 0.02 1 254 23 23 ILE HA H 3.86 0.02 1 255 23 23 ILE HB H 2.13 0.02 1 256 23 23 ILE HD1 H 0.84 0.02 1 257 23 23 ILE HG12 H 2.02 0.02 2 258 23 23 ILE HG13 H 0.91 0.02 2 259 23 23 ILE HG2 H 1.06 0.02 1 260 23 23 ILE C C 177.19 0.2 1 261 23 23 ILE CA C 66.51 0.2 1 262 23 23 ILE CB C 38.16 0.2 1 263 23 23 ILE CD1 C 15.26 0.2 1 264 23 23 ILE CG1 C 28.84 0.2 1 265 23 23 ILE CG2 C 17.49 0.2 1 266 23 23 ILE N N 122.83 0.2 1 267 24 24 GLU H H 7.92 0.02 1 268 24 24 GLU HA H 3.99 0.02 1 269 24 24 GLU HB2 H 2.20 0.02 1 270 24 24 GLU HB3 H 2.20 0.02 1 271 24 24 GLU HG2 H 2.47 0.02 2 272 24 24 GLU HG3 H 2.51 0.02 2 273 24 24 GLU C C 177.81 0.2 1 274 24 24 GLU CA C 59.25 0.2 1 275 24 24 GLU CB C 29.45 0.2 1 276 24 24 GLU CG C 36.11 0.2 1 277 24 24 GLU N N 117.34 0.2 1 278 25 25 LYS H H 7.59 0.02 1 279 25 25 LYS HA H 4.24 0.02 1 280 25 25 LYS HB2 H 1.97 0.02 2 281 25 25 LYS HB3 H 1.94 0.02 2 282 25 25 LYS HD2 H 1.71 0.02 2 283 25 25 LYS HD3 H 1.67 0.02 2 284 25 25 LYS HE2 H 3.02 0.02 2 285 25 25 LYS HE3 H 3.02 0.02 2 286 25 25 LYS HG2 H 1.53 0.02 2 287 25 25 LYS HG3 H 1.42 0.02 2 288 25 25 LYS C C 178.93 0.2 1 289 25 25 LYS CA C 58.60 0.2 1 290 25 25 LYS CB C 33.03 0.2 1 291 25 25 LYS CD C 29.25 0.2 1 292 25 25 LYS CE C 42.31 0.2 1 293 25 25 LYS CG C 24.65 0.2 1 294 25 25 LYS N N 115.47 0.2 1 295 26 26 ASN H H 7.94 0.02 1 296 26 26 ASN HA H 4.20 0.02 1 297 26 26 ASN HB2 H 2.05 0.02 2 298 26 26 ASN HB3 H 1.52 0.02 2 299 26 26 ASN C C 176.98 0.2 1 300 26 26 ASN CA C 56.12 0.2 1 301 26 26 ASN CB C 39.48 0.2 1 302 26 26 ASN N N 115.88 0.2 1 303 27 27 LYS H H 8.17 0.02 1 304 27 27 LYS HA H 3.75 0.02 1 305 27 27 LYS HB2 H 1.78 0.02 2 306 27 27 LYS HB3 H 1.62 0.02 2 307 27 27 LYS HD2 H 1.56 0.02 1 308 27 27 LYS HD3 H 1.56 0.02 1 309 27 27 LYS HE2 H 2.86 0.02 2 310 27 27 LYS HE3 H 2.80 0.02 2 311 27 27 LYS HG2 H 1.18 0.02 2 312 27 27 LYS HG3 H 0.79 0.02 2 313 27 27 LYS C C 176.52 0.2 1 314 27 27 LYS CA C 59.26 0.2 1 315 27 27 LYS CB C 31.74 0.2 1 316 27 27 LYS CD C 29.83 0.2 1 317 27 27 LYS CE C 42.23 0.2 1 318 27 27 LYS CG C 23.87 0.2 1 319 27 27 LYS N N 118.41 0.2 1 320 28 28 TYR H H 7.07 0.02 1 321 28 28 TYR HA H 4.60 0.02 1 322 28 28 TYR HB2 H 3.36 0.02 2 323 28 28 TYR HB3 H 2.85 0.02 2 324 28 28 TYR HD1 H 7.31 0.02 1 325 28 28 TYR HD2 H 7.31 0.02 1 326 28 28 TYR HE1 H 6.94 0.02 1 327 28 28 TYR HE2 H 6.94 0.02 1 328 28 28 TYR C C 176.19 0.2 1 329 28 28 TYR CA C 58.49 0.2 1 330 28 28 TYR CB C 38.60 0.2 1 331 28 28 TYR CD1 C 133.46 0.2 1 332 28 28 TYR CD2 C 133.46 0.2 1 333 28 28 TYR CE1 C 118.42 0.2 1 334 28 28 TYR CE2 C 118.42 0.2 1 335 28 28 TYR N N 113.92 0.2 1 336 29 29 GLU H H 7.51 0.02 1 337 29 29 GLU HA H 4.42 0.02 1 338 29 29 GLU HB2 H 2.12 0.02 2 339 29 29 GLU HB3 H 1.84 0.02 2 340 29 29 GLU HG2 H 2.36 0.02 2 341 29 29 GLU HG3 H 2.20 0.02 2 342 29 29 GLU C C 176.24 0.2 1 343 29 29 GLU CA C 56.68 0.2 1 344 29 29 GLU CB C 31.91 0.2 1 345 29 29 GLU CG C 36.16 0.2 1 346 29 29 GLU N N 116.76 0.2 1 347 30 30 LEU H H 7.26 0.02 1 348 30 30 LEU HA H 4.57 0.02 1 349 30 30 LEU HB2 H 1.44 0.02 2 350 30 30 LEU HB3 H 1.25 0.02 2 351 30 30 LEU HD1 H 0.77 0.02 1 352 30 30 LEU HD2 H 0.18 0.02 1 353 30 30 LEU HG H 1.57 0.02 1 354 30 30 LEU C C 176.47 0.2 1 355 30 30 LEU CA C 53.86 0.2 1 356 30 30 LEU CB C 44.08 0.2 1 357 30 30 LEU CD1 C 22.42 0.2 2 358 30 30 LEU CD2 C 25.99 0.2 2 359 30 30 LEU CG C 26.31 0.2 1 360 30 30 LEU N N 118.38 0.2 1 361 31 31 SER H H 8.49 0.02 1 362 31 31 SER HA H 4.50 0.02 1 363 31 31 SER HB2 H 4.21 0.02 2 364 31 31 SER HB3 H 3.99 0.02 2 365 31 31 SER C C 174.50 0.2 1 366 31 31 SER CA C 57.40 0.2 1 367 31 31 SER CB C 64.89 0.2 1 368 31 31 SER N N 115.16 0.2 1 369 32 32 ASP H H 8.91 0.02 1 370 32 32 ASP HA H 4.32 0.02 1 371 32 32 ASP HB2 H 2.80 0.02 2 372 32 32 ASP HB3 H 2.73 0.02 2 373 32 32 ASP C C 178.10 0.2 1 374 32 32 ASP CA C 58.02 0.2 1 375 32 32 ASP CB C 40.47 0.2 1 376 32 32 ASP N N 120.17 0.2 1 377 33 33 ASP H H 8.68 0.02 1 378 33 33 ASP HA H 4.45 0.02 1 379 33 33 ASP HB2 H 2.78 0.02 2 380 33 33 ASP HB3 H 2.66 0.02 2 381 33 33 ASP C C 178.85 0.2 1 382 33 33 ASP CA C 56.96 0.2 1 383 33 33 ASP CB C 40.13 0.2 1 384 33 33 ASP N N 117.81 0.2 1 385 34 34 GLU H H 7.63 0.02 1 386 34 34 GLU HA H 4.17 0.02 1 387 34 34 GLU HB2 H 2.37 0.02 2 388 34 34 GLU HB3 H 2.15 0.02 2 389 34 34 GLU HG2 H 2.55 0.02 2 390 34 34 GLU HG3 H 2.36 0.02 2 391 34 34 GLU C C 178.32 0.2 1 392 34 34 GLU CA C 58.57 0.2 1 393 34 34 GLU CB C 30.08 0.2 1 394 34 34 GLU CG C 36.43 0.2 1 395 34 34 GLU N N 119.58 0.2 1 396 35 35 LEU H H 8.39 0.02 1 397 35 35 LEU HA H 3.72 0.02 1 398 35 35 LEU HB2 H 1.53 0.02 2 399 35 35 LEU HB3 H 1.42 0.02 2 400 35 35 LEU HD1 H 0.74 0.02 1 401 35 35 LEU HD2 H 0.57 0.02 1 402 35 35 LEU HG H 1.33 0.02 1 403 35 35 LEU C C 177.84 0.2 1 404 35 35 LEU CA C 57.47 0.2 1 405 35 35 LEU CB C 41.03 0.2 1 406 35 35 LEU CD1 C 24.66 0.2 2 407 35 35 LEU CD2 C 23.81 0.2 2 408 35 35 LEU CG C 26.57 0.2 1 409 35 35 LEU N N 119.75 0.2 1 410 36 36 GLU H H 7.58 0.02 1 411 36 36 GLU HA H 4.17 0.02 1 412 36 36 GLU HB2 H 2.20 0.02 1 413 36 36 GLU HB3 H 2.20 0.02 1 414 36 36 GLU HG2 H 2.51 0.02 2 415 36 36 GLU HG3 H 2.42 0.02 2 416 36 36 GLU C C 179.72 0.2 1 417 36 36 GLU CA C 59.87 0.2 1 418 36 36 GLU CB C 29.68 0.2 1 419 36 36 GLU CG C 35.99 0.2 1 420 36 36 GLU N N 116.10 0.2 1 421 37 37 LEU H H 7.33 0.02 1 422 37 37 LEU HA H 4.21 0.02 1 423 37 37 LEU HB2 H 2.27 0.02 2 424 37 37 LEU HB3 H 1.47 0.02 2 425 37 37 LEU HD1 H 1.05 0.02 1 426 37 37 LEU HD2 H 1.06 0.02 1 427 37 37 LEU HG H 1.95 0.02 1 428 37 37 LEU C C 179.20 0.2 1 429 37 37 LEU CA C 57.44 0.2 1 430 37 37 LEU CB C 42.45 0.2 1 431 37 37 LEU CD1 C 23.41 0.2 2 432 37 37 LEU CD2 C 25.97 0.2 2 433 37 37 LEU CG C 26.57 0.2 1 434 37 37 LEU N N 119.12 0.2 1 435 38 38 PHE H H 8.54 0.02 1 436 38 38 PHE HA H 3.40 0.02 1 437 38 38 PHE HB2 H 2.63 0.02 2 438 38 38 PHE HB3 H 1.91 0.02 2 439 38 38 PHE HD1 H 6.45 0.02 1 440 38 38 PHE HD2 H 6.45 0.02 1 441 38 38 PHE HE1 H 7.06 0.02 1 442 38 38 PHE HE2 H 7.06 0.02 1 443 38 38 PHE HZ H 6.92 0.02 1 444 38 38 PHE C C 177.40 0.2 1 445 38 38 PHE CA C 62.01 0.2 1 446 38 38 PHE CB C 38.98 0.2 1 447 38 38 PHE CD1 C 131.85 0.2 1 448 38 38 PHE CD2 C 131.85 0.2 1 449 38 38 PHE CE1 C 130.39 0.2 1 450 38 38 PHE CE2 C 130.39 0.2 1 451 38 38 PHE CZ C 128.39 0.2 1 452 38 38 PHE N N 121.95 0.2 1 453 39 39 TYR H H 9.25 0.02 1 454 39 39 TYR HA H 4.16 0.02 1 455 39 39 TYR HB2 H 2.88 0.02 2 456 39 39 TYR HB3 H 2.69 0.02 2 457 39 39 TYR HD1 H 6.81 0.02 1 458 39 39 TYR HD2 H 6.81 0.02 1 459 39 39 TYR HE1 H 6.64 0.02 1 460 39 39 TYR HE2 H 6.64 0.02 1 461 39 39 TYR C C 178.57 0.2 1 462 39 39 TYR CA C 59.52 0.2 1 463 39 39 TYR CB C 36.76 0.2 1 464 39 39 TYR CD1 C 131.23 0.2 1 465 39 39 TYR CD2 C 131.23 0.2 1 466 39 39 TYR CE1 C 116.88 0.2 1 467 39 39 TYR CE2 C 116.88 0.2 1 468 39 39 TYR N N 118.03 0.2 1 469 40 40 SER H H 7.80 0.02 1 470 40 40 SER HA H 4.51 0.02 1 471 40 40 SER HB2 H 4.19 0.02 2 472 40 40 SER HB3 H 4.16 0.02 2 473 40 40 SER C C 177.96 0.2 1 474 40 40 SER CA C 61.97 0.2 1 475 40 40 SER CB C 62.97 0.2 1 476 40 40 SER N N 114.54 0.2 1 477 41 41 ALA H H 7.87 0.02 1 478 41 41 ALA HA H 4.08 0.02 1 479 41 41 ALA HB H 1.47 0.02 1 480 41 41 ALA C C 178.11 0.2 1 481 41 41 ALA CA C 54.97 0.2 1 482 41 41 ALA CB C 19.25 0.2 1 483 41 41 ALA N N 124.94 0.2 1 484 42 42 ALA H H 8.92 0.02 1 485 42 42 ALA HA H 3.79 0.02 1 486 42 42 ALA HB H 1.12 0.02 1 487 42 42 ALA C C 179.63 0.2 1 488 42 42 ALA CA C 57.60 0.2 1 489 42 42 ALA CB C 17.10 0.2 1 490 42 42 ALA N N 122.22 0.2 1 491 43 43 ASP H H 8.76 0.02 1 492 43 43 ASP HA H 4.67 0.02 1 493 43 43 ASP HB2 H 3.04 0.02 2 494 43 43 ASP HB3 H 2.85 0.02 2 495 43 43 ASP C C 177.90 0.2 1 496 43 43 ASP CA C 57.60 0.2 1 497 43 43 ASP CB C 40.12 0.2 1 498 43 43 ASP N N 119.90 0.2 1 499 44 44 HIS H H 7.67 0.02 1 500 44 44 HIS HA H 4.12 0.02 1 501 44 44 HIS HB2 H 3.76 0.02 2 502 44 44 HIS HB3 H 3.26 0.02 2 503 44 44 HIS C C 178.18 0.2 1 504 44 44 HIS CA C 59.22 0.2 1 505 44 44 HIS CB C 31.69 0.2 1 506 44 44 HIS N N 119.95 0.2 1 507 45 45 ARG H H 9.05 0.02 1 508 45 45 ARG HA H 4.34 0.02 1 509 45 45 ARG HB2 H 2.18 0.02 2 510 45 45 ARG HB3 H 1.68 0.02 2 511 45 45 ARG HD2 H 4.21 0.02 2 512 45 45 ARG HD3 H 2.68 0.02 2 513 45 45 ARG HG2 H 1.85 0.02 1 514 45 45 ARG HG3 H 1.85 0.02 1 515 45 45 ARG C C 177.87 0.2 1 516 45 45 ARG CA C 57.14 0.2 1 517 45 45 ARG CB C 28.67 0.2 1 518 45 45 ARG CD C 43.07 0.2 1 519 45 45 ARG CG C 27.11 0.2 1 520 45 45 ARG N N 118.41 0.2 1 521 46 46 LEU H H 9.05 0.02 1 522 46 46 LEU HA H 4.04 0.02 1 523 46 46 LEU HB2 H 2.15 0.02 2 524 46 46 LEU HB3 H 1.87 0.02 2 525 46 46 LEU HD1 H 1.01 0.02 1 526 46 46 LEU HD2 H 0.98 0.02 1 527 46 46 LEU HG H 1.58 0.02 1 528 46 46 LEU C C 180.35 0.2 1 529 46 46 LEU CA C 58.53 0.2 1 530 46 46 LEU CB C 41.86 0.2 1 531 46 46 LEU CD1 C 23.81 0.2 2 532 46 46 LEU CD2 C 26.06 0.2 2 533 46 46 LEU CG C 27.53 0.2 1 534 46 46 LEU N N 121.07 0.2 1 535 47 47 ALA H H 8.32 0.02 1 536 47 47 ALA HA H 3.80 0.02 1 537 47 47 ALA HB H 1.14 0.02 1 538 47 47 ALA C C 179.27 0.2 1 539 47 47 ALA CA C 56.15 0.2 1 540 47 47 ALA CB C 17.85 0.2 1 541 47 47 ALA N N 124.58 0.2 1 542 48 48 GLU H H 8.09 0.02 1 543 48 48 GLU HA H 4.29 0.02 1 544 48 48 GLU HB2 H 2.63 0.02 2 545 48 48 GLU HB3 H 2.12 0.02 2 546 48 48 GLU HG2 H 3.01 0.02 2 547 48 48 GLU HG3 H 2.83 0.02 2 548 48 48 GLU C C 180.66 0.2 1 549 48 48 GLU CA C 59.88 0.2 1 550 48 48 GLU CB C 30.72 0.2 1 551 48 48 GLU CG C 39.10 0.2 1 552 48 48 GLU N N 117.38 0.2 1 553 49 49 LEU H H 8.74 0.02 1 554 49 49 LEU HA H 4.21 0.02 1 555 49 49 LEU HB2 H 1.93 0.02 2 556 49 49 LEU HB3 H 1.38 0.02 2 557 49 49 LEU HD1 H 0.66 0.02 1 558 49 49 LEU HD2 H 0.79 0.02 1 559 49 49 LEU HG H 1.69 0.02 1 560 49 49 LEU C C 179.86 0.2 1 561 49 49 LEU CA C 57.20 0.2 1 562 49 49 LEU CB C 43.04 0.2 1 563 49 49 LEU CD1 C 27.12 0.2 2 564 49 49 LEU CD2 C 23.12 0.2 2 565 49 49 LEU CG C 27.39 0.2 1 566 49 49 LEU N N 117.68 0.2 1 567 50 50 THR H H 8.30 0.02 1 568 50 50 THR HA H 3.97 0.02 1 569 50 50 THR HB H 4.25 0.02 1 570 50 50 THR HG2 H 1.25 0.02 1 571 50 50 THR C C 175.44 0.2 1 572 50 50 THR CA C 66.87 0.2 1 573 50 50 THR CB C 68.96 0.2 1 574 50 50 THR CG2 C 20.67 0.2 1 575 50 50 THR N N 116.17 0.2 1 576 51 51 MET H H 7.85 0.02 1 577 51 51 MET HA H 4.65 0.02 1 578 51 51 MET HB2 H 2.18 0.02 2 579 51 51 MET HB3 H 2.04 0.02 2 580 51 51 MET HG2 H 3.07 0.02 2 581 51 51 MET HG3 H 2.52 0.02 2 582 51 51 MET C C 176.45 0.2 1 583 51 51 MET CA C 53.77 0.2 1 584 51 51 MET CB C 31.24 0.2 1 585 51 51 MET CG C 32.02 0.2 1 586 51 51 MET N N 115.64 0.2 1 587 52 52 ASN H H 8.13 0.02 1 588 52 52 ASN HA H 4.36 0.02 1 589 52 52 ASN HB2 H 3.24 0.02 2 590 52 52 ASN HB3 H 2.67 0.02 2 591 52 52 ASN C C 173.83 0.2 1 592 52 52 ASN CA C 53.90 0.2 1 593 52 52 ASN CB C 37.03 0.2 1 594 52 52 ASN N N 117.81 0.2 1 595 53 53 LYS H H 8.01 0.02 1 596 53 53 LYS HA H 4.31 0.02 1 597 53 53 LYS HB2 H 1.21 0.02 2 598 53 53 LYS HB3 H 1.11 0.02 2 599 53 53 LYS HD2 H 1.50 0.02 1 600 53 53 LYS HD3 H 1.50 0.02 1 601 53 53 LYS HE2 H 2.86 0.02 1 602 53 53 LYS HE3 H 2.86 0.02 1 603 53 53 LYS HG2 H 0.96 0.02 1 604 53 53 LYS HG3 H 0.96 0.02 1 605 53 53 LYS C C 173.47 0.2 1 606 53 53 LYS CA C 55.14 0.2 1 607 53 53 LYS CB C 36.43 0.2 1 608 53 53 LYS CD C 28.68 0.2 1 609 53 53 LYS CE C 42.18 0.2 1 610 53 53 LYS CG C 23.68 0.2 1 611 53 53 LYS N N 116.72 0.2 1 612 54 54 LEU H H 7.62 0.02 1 613 54 54 LEU HA H 4.37 0.02 1 614 54 54 LEU HB2 H 1.54 0.02 2 615 54 54 LEU HB3 H 1.20 0.02 2 616 54 54 LEU HD1 H 0.74 0.02 1 617 54 54 LEU HD2 H 0.81 0.02 1 618 54 54 LEU HG H 1.56 0.02 1 619 54 54 LEU C C 176.87 0.2 1 620 54 54 LEU CA C 53.65 0.2 1 621 54 54 LEU CB C 42.67 0.2 1 622 54 54 LEU CD1 C 23.03 0.2 1 623 54 54 LEU CD2 C 25.35 0.2 1 624 54 54 LEU CG C 26.60 0.2 1 625 54 54 LEU N N 117.12 0.2 1 626 55 55 TYR H H 9.93 0.02 1 627 55 55 TYR HA H 4.88 0.02 1 628 55 55 TYR HB2 H 2.77 0.02 2 629 55 55 TYR HB3 H 2.18 0.02 2 630 55 55 TYR HD1 H 6.95 0.02 1 631 55 55 TYR HD2 H 6.95 0.02 1 632 55 55 TYR HE1 H 6.43 0.02 1 633 55 55 TYR HE2 H 6.43 0.02 1 634 55 55 TYR C C 176.30 0.2 1 635 55 55 TYR CA C 57.20 0.2 1 636 55 55 TYR CB C 43.07 0.2 1 637 55 55 TYR CD1 C 133.89 0.2 1 638 55 55 TYR CD2 C 133.89 0.2 1 639 55 55 TYR CE1 C 116.88 0.2 1 640 55 55 TYR CE2 C 116.88 0.2 1 641 55 55 TYR N N 120.18 0.2 1 642 56 56 ASP H H 8.91 0.02 1 643 56 56 ASP HA H 4.78 0.02 1 644 56 56 ASP HB2 H 2.80 0.02 2 645 56 56 ASP HB3 H 2.73 0.02 2 646 56 56 ASP C C 176.33 0.2 1 647 56 56 ASP CA C 56.00 0.2 1 648 56 56 ASP CB C 40.79 0.2 1 649 56 56 ASP N N 120.92 0.2 1 650 57 57 LYS H H 7.77 0.02 1 651 57 57 LYS HA H 4.52 0.02 1 652 57 57 LYS HB2 H 1.74 0.02 2 653 57 57 LYS HB3 H 1.71 0.02 2 654 57 57 LYS HD2 H 1.70 0.02 1 655 57 57 LYS HD3 H 1.70 0.02 1 656 57 57 LYS HE2 H 3.01 0.02 1 657 57 57 LYS HE3 H 3.01 0.02 1 658 57 57 LYS HG2 H 1.40 0.02 2 659 57 57 LYS HG3 H 1.37 0.02 2 660 57 57 LYS C C 175.36 0.2 1 661 57 57 LYS CA C 54.90 0.2 1 662 57 57 LYS CB C 34.70 0.2 1 663 57 57 LYS CD C 29.06 0.2 1 664 57 57 LYS CE C 42.38 0.2 1 665 57 57 LYS CG C 24.49 0.2 1 666 57 57 LYS N N 118.07 0.2 1 667 58 58 ILE H H 8.94 0.02 1 668 58 58 ILE HA H 3.42 0.02 1 669 58 58 ILE HB H 1.62 0.02 1 670 58 58 ILE HD1 H -0.05 0.02 1 671 58 58 ILE HG12 H 0.87 0.02 2 672 58 58 ILE HG13 H 0.63 0.02 2 673 58 58 ILE HG2 H -0.24 0.02 1 674 58 58 ILE CA C 57.72 0.2 1 675 58 58 ILE CB C 36.79 0.2 1 676 58 58 ILE CD1 C 10.40 0.2 1 677 58 58 ILE CG1 C 27.06 0.2 1 678 58 58 ILE CG2 C 15.51 0.2 1 679 58 58 ILE N N 126.11 0.2 1 680 59 59 PRO HA H 4.68 0.02 1 681 59 59 PRO HB2 H 2.46 0.02 1 682 59 59 PRO HB3 H 1.77 0.02 1 683 59 59 PRO HD2 H 3.60 0.02 1 684 59 59 PRO HD3 H 2.61 0.02 1 685 59 59 PRO HG2 H 1.96 0.02 1 686 59 59 PRO HG3 H 1.96 0.02 1 687 59 59 PRO CA C 61.50 0.2 1 688 59 59 PRO CB C 31.60 0.2 1 689 59 59 PRO CD C 51.04 0.2 1 690 59 59 PRO CG C 27.65 0.2 1 691 60 60 PRO HA H 4.42 0.02 1 692 60 60 PRO HB2 H 2.52 0.02 2 693 60 60 PRO HB3 H 2.09 0.02 2 694 60 60 PRO HD2 H 3.90 0.02 1 695 60 60 PRO HD3 H 3.90 0.02 1 696 60 60 PRO HG2 H 2.18 0.02 1 697 60 60 PRO HG3 H 2.18 0.02 1 698 60 60 PRO C C 178.60 0.2 1 699 60 60 PRO CA C 65.47 0.2 1 700 60 60 PRO CB C 32.19 0.2 1 701 60 60 PRO CD C 50.59 0.2 1 702 60 60 PRO CG C 27.82 0.2 1 703 61 61 THR H H 7.52 0.02 1 704 61 61 THR HA H 4.11 0.02 1 705 61 61 THR HB H 4.30 0.02 1 706 61 61 THR HG2 H 1.30 0.02 1 707 61 61 THR C C 176.50 0.2 1 708 61 61 THR CA C 63.58 0.2 1 709 61 61 THR CB C 68.68 0.2 1 710 61 61 THR CG2 C 22.23 0.2 1 711 61 61 THR N N 106.02 0.2 1 712 62 62 VAL H H 7.51 0.02 1 713 62 62 VAL HA H 3.74 0.02 1 714 62 62 VAL HB H 1.52 0.02 1 715 62 62 VAL HG1 H 0.43 0.02 1 716 62 62 VAL HG2 H 0.77 0.02 1 717 62 62 VAL C C 177.60 0.2 1 718 62 62 VAL CA C 65.26 0.2 1 719 62 62 VAL CB C 31.32 0.2 1 720 62 62 VAL CG1 C 21.10 0.2 2 721 62 62 VAL CG2 C 23.35 0.2 2 722 62 62 VAL N N 120.91 0.2 1 723 63 63 TRP H H 6.88 0.02 1 724 63 63 TRP HA H 4.39 0.02 1 725 63 63 TRP HB2 H 3.28 0.02 2 726 63 63 TRP HB3 H 3.01 0.02 2 727 63 63 TRP HD1 H 7.26 0.02 1 728 63 63 TRP HE1 H 10.25 0.02 1 729 63 63 TRP HE3 H 7.14 0.02 1 730 63 63 TRP HH2 H 6.94 0.02 1 731 63 63 TRP HZ2 H 7.28 0.02 1 732 63 63 TRP HZ3 H 6.78 0.02 1 733 63 63 TRP C C 177.63 0.2 1 734 63 63 TRP CA C 58.88 0.2 1 735 63 63 TRP CB C 29.60 0.2 1 736 63 63 TRP CD1 C 127.80 0.2 1 737 63 63 TRP CE3 C 119.80 0.2 1 738 63 63 TRP CH2 C 124.60 0.2 1 739 63 63 TRP CZ2 C 115.20 0.2 1 740 63 63 TRP CZ3 C 121.30 0.2 1 741 63 63 TRP N N 116.79 0.2 1 742 63 63 TRP NE1 N 128.78 0.2 1 743 64 64 GLN H H 7.81 0.02 1 744 64 64 GLN HA H 4.14 0.02 1 745 64 64 GLN HB2 H 1.99 0.02 2 746 64 64 GLN HB3 H 1.88 0.02 2 747 64 64 GLN HG2 H 2.26 0.02 2 748 64 64 GLN HG3 H 1.90 0.02 2 749 64 64 GLN C C 176.47 0.2 1 750 64 64 GLN CA C 57.53 0.2 1 751 64 64 GLN CB C 28.28 0.2 1 752 64 64 GLN CG C 33.17 0.2 1 753 64 64 GLN N N 115.16 0.2 1 754 65 65 HIS H H 7.85 0.02 1 755 65 65 HIS HA H 4.65 0.02 1 756 65 65 HIS HB2 H 3.31 0.02 2 757 65 65 HIS HB3 H 3.14 0.02 2 758 65 65 HIS C C 174.75 0.2 1 759 65 65 HIS CA C 56.44 0.2 1 760 65 65 HIS CB C 31.11 0.2 1 761 65 65 HIS N N 115.73 0.2 1 762 66 66 VAL H H 7.68 0.02 1 763 66 66 VAL HA H 4.08 0.02 1 764 66 66 VAL HB H 2.19 0.02 1 765 66 66 VAL HG1 H 0.88 0.02 1 766 66 66 VAL HG2 H 0.97 0.02 1 767 66 66 VAL C C 175.27 0.2 1 768 66 66 VAL CA C 62.36 0.2 1 769 66 66 VAL CB C 32.80 0.2 1 770 66 66 VAL CG1 C 21.17 0.2 1 771 66 66 VAL CG2 C 21.78 0.2 1 772 66 66 VAL N N 119.22 0.2 1 773 67 67 LYS H H 8.37 0.02 1 774 67 67 LYS HA H 4.18 0.02 1 775 67 67 LYS HB2 H 1.62 0.02 1 776 67 67 LYS HB3 H 1.62 0.02 1 777 67 67 LYS HD2 H 1.59 0.02 1 778 67 67 LYS HD3 H 1.59 0.02 1 779 67 67 LYS HE2 H 2.94 0.02 1 780 67 67 LYS HE3 H 2.94 0.02 1 781 67 67 LYS HG2 H 1.27 0.02 2 782 67 67 LYS HG3 H 1.35 0.02 2 783 67 67 LYS C C 176.16 0.2 1 784 67 67 LYS CA C 56.68 0.2 1 785 67 67 LYS CB C 32.34 0.2 1 786 67 67 LYS CD C 28.78 0.2 1 787 67 67 LYS CE C 42.17 0.2 1 788 67 67 LYS CG C 24.53 0.2 1 789 67 67 LYS N N 124.89 0.2 1 790 68 68 HIS H H 7.98 0.02 1 791 68 68 HIS HA H 4.51 0.02 1 792 68 68 HIS HB2 H 2.84 0.02 2 793 68 68 HIS HB3 H 3.04 0.02 2 794 68 68 HIS C C 173.67 0.2 1 795 68 68 HIS CA C 55.76 0.2 1 796 68 68 HIS CB C 29.96 0.2 1 797 68 68 HIS N N 117.11 0.2 1 798 69 69 HIS H H 7.98 0.02 1 799 69 69 HIS HA H 4.46 0.02 1 800 69 69 HIS HB2 H 2.89 0.02 2 801 69 69 HIS HB3 H 2.97 0.02 2 802 69 69 HIS CA C 57.18 0.2 1 803 69 69 HIS CB C 29.79 0.2 1 804 69 69 HIS N N 124.06 0.2 1 stop_ save_ save_heteronuclear_T1_list_1 _Saveframe_category T1_relaxation _Details . loop_ _Software_label $NMRPipe stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 499.8960284 _T1_coherence_type NzHz _T1_value_units s _Mol_system_component_name ymoa_1 _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 3 LYS N 0.4516 2.2144 2 4 THR N 0.4393 2.2762 3 5 ASP N 0.4164 2.4018 4 6 TYR N 0.4095 2.4420 5 7 LEU N 0.4017 2.4894 6 8 MET N 0.4058 2.4645 7 9 ARG N 0.4130 2.4216 8 10 LEU N 0.4026 2.4840 9 11 ARG N 0.3949 2.5323 10 12 LYS N 0.4115 2.4300 11 13 CYS N 0.4218 2.3708 12 16 ILE N 0.4156 2.4059 13 17 ASP N 0.4247 2.3547 14 18 THR N 0.4299 2.3263 15 19 LEU N 0.4115 2.4301 16 20 GLU N 0.4030 2.4813 17 21 ARG N 0.4095 2.4423 18 22 VAL N 0.4143 2.4140 19 23 ILE N 0.3972 2.5177 20 24 GLU N 0.4053 2.4672 21 25 LYS N 0.4272 2.3410 22 26 ASN N 0.4294 2.3289 23 27 LYS N 0.4138 2.4166 24 28 TYR N 0.4337 2.3058 25 29 GLU N 0.4762 2.1001 26 30 LEU N 0.4870 2.0534 27 31 SER N 0.4316 2.3167 28 32 ASP N 0.4301 2.3252 29 33 ASP N 0.4427 2.2587 30 34 GLU N 0.4402 2.2717 31 35 LEU N 0.4026 2.4838 32 36 GLU N 0.4132 2.4202 33 37 LEU N 0.4132 2.4204 34 38 PHE N 0.3994 2.5035 35 39 TYR N 0.4052 2.4680 36 40 SER N 0.4141 2.4151 37 41 ALA N 0.4013 2.4921 38 42 ALA N 0.4042 2.4740 39 43 ASP N 0.4057 2.4651 40 44 HIS N 0.4060 2.4630 41 45 ARG N 0.4018 2.4890 42 46 LEU N 0.3959 2.5260 43 47 ALA N 0.3985 2.5096 44 48 GLU N 0.4080 2.4512 45 49 LEU N 0.4070 2.4573 46 50 THR N 0.4158 2.4051 47 51 MET N 0.4151 2.4089 48 52 ASN N 0.4158 2.4049 49 53 LYS N 0.4152 2.4086 50 54 LEU N 0.4822 2.0740 51 55 TYR N 0.4467 2.2387 52 56 ASP N 0.4738 2.1106 53 57 LYS N 0.5097 1.9619 54 58 ILE N 0.4442 2.2512 55 62 VAL N 0.4103 2.4372 56 63 TRP N 0.4114 2.4309 57 64 GLN N 0.4176 2.3949 58 65 HIS N 0.4133 2.4196 59 66 VAL N 0.4460 2.2422 60 67 LYS N 0.4461 2.2416 61 68 HIS N 0.4934 2.0267 62 69 HIS N 0.6333 1.5790 stop_ save_ save_heteronuclear_T2_list_1 _Saveframe_category T2_relaxation _Details . loop_ _Software_label $NMRPipe stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 499.8960284 _T2_coherence_type NzHz _T2_value_units s _Mol_system_component_name ymoa_1 _Text_data_format . _Text_data . loop_ _T2_ID _Residue_seq_code _Residue_label _Atom_name _T2_value _T2_value_error _Rex_value _Rex_error 1 3 LYS N 0.1347 7.4253 . . 2 4 THR N 0.1151 8.6910 . . 3 5 ASP N 0.1195 8.3682 . . 4 6 TYR N 0.1371 7.2937 . . 5 7 LEU N 0.1167 8.5712 . . 6 8 MET N 0.1391 7.1869 . . 7 9 ARG N 0.1448 6.9056 . . 8 10 LEU N 0.1426 7.0138 . . 9 11 ARG N 0.1154 8.6683 . . 10 12 LYS N 0.1224 8.1679 . . 11 13 CYS N 0.1515 6.6008 . . 12 16 ILE N 0.1225 8.1665 . . 13 17 ASP N 0.1356 7.3720 . . 14 18 THR N 0.1159 8.6308 . . 15 19 LEU N 0.1184 8.4480 . . 16 20 GLU N 0.1388 7.2057 . . 17 21 ARG N 0.1291 7.7448 . . 18 22 VAL N 0.1161 8.6118 . . 19 23 ILE N 0.1159 8.6283 . . 20 24 GLU N 0.1338 7.4752 . . 21 25 LYS N 0.1314 7.6088 . . 22 26 ASN N 0.1483 6.7414 . . 23 27 LYS N 0.1407 7.1053 . . 24 28 TYR N 0.1274 7.8509 . . 25 29 GLU N 0.1629 6.1404 . . 26 30 LEU N 0.1703 5.8707 . . 27 31 SER N 0.1492 6.7007 . . 28 32 ASP N 0.1361 7.3457 . . 29 33 ASP N 0.1524 6.5624 . . 30 34 GLU N 0.1359 7.3565 . . 31 35 LEU N 0.1235 8.0995 . . 32 36 GLU N 0.1392 7.1857 . . 33 37 LEU N 0.1283 7.7951 . . 34 38 PHE N 0.1114 8.9797 . . 35 39 TYR N 0.1293 7.7352 . . 36 40 SER N 0.1214 8.2403 . . 37 41 ALA N 0.1285 7.7838 . . 38 42 ALA N 0.1113 8.9871 . . 39 43 ASP N 0.1174 8.5167 . . 40 44 HIS N 0.1109 9.0184 . . 41 45 ARG N 0.1341 7.4575 . . 42 46 LEU N 0.1134 8.8191 . . 43 47 ALA N 0.1198 8.3472 . . 44 48 GLU N 0.1401 7.1385 . . 45 49 LEU N 0.1440 6.9454 . . 46 50 THR N 0.1298 7.7014 . . 47 51 MET N 0.1264 7.9129 . . 48 52 ASN N 0.1432 6.9835 . . 49 53 LYS N 0.1352 7.3983 . . 50 54 LEU N 0.1650 6.0589 . . 51 55 TYR N 0.1315 7.6033 . . 52 56 ASP N 0.1383 7.2304 . . 53 57 LYS N 0.1731 5.7758 . . 54 58 ILE N 0.1300 7.6933 . . 55 62 VAL N 0.1179 8.4831 . . 56 63 TRP N 0.1171 8.5416 . . 57 64 GLN N 0.1148 8.7104 . . 58 65 HIS N 0.1170 8.5475 . . 59 66 VAL N 0.1357 7.3678 . . 60 67 LYS N 0.0906 11.0369 . . 61 68 HIS N 0.1374 7.2773 . . 62 69 HIS N 0.0988 10.1232 . . stop_ save_