data_25636 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of AVR-Pia ; _BMRB_accession_number 25636 _BMRB_flat_file_name bmr25636.str _Entry_type original _Submission_date 2015-05-28 _Accession_date 2015-05-28 _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 Ose Toyoyuki . . 2 Oikawa Azusa . . 3 Nakamura Yukiko . . 4 Maenaka Katsumi . . 5 Higuchi Yuya . . 6 Satoh Yuki . . 7 Fujiwara Shiho . . 8 Demura Makoto . . 9 Sone Teruo . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 heteronucl_NOE 1 T1_relaxation 1 T2_relaxation 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 381 "13C chemical shifts" 196 "15N chemical shifts" 61 "T1 relaxation values" 61 "T2 relaxation values" 61 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2015-10-12 original BMRB . stop_ _Original_release_date 2015-10-12 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of an avirulence protein, AVR-Pia, from Magnaporthe oryzae ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 26362280 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ose Toyoyuki . . 2 Oikawa Azusa . . 3 Nakamura Yukiko . . 4 Maenaka Katsumi . . 5 Higuchi Yuya . . 6 Satoh Yuki . . 7 Fujiwara Shiho . . 8 Demura Makoto . . 9 Sone Teruo . . 10 Kamiya Masakatsu . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 63 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 229 _Page_last 235 _Year 2015 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'AVR-Pia monomer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity $entity stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 7391.511 _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 66 _Mol_residue_sequence ; APARFCVYYDGHLPATRVLL MYVRIGTTATITARGHEFEV EAKDQNCKVILTNGKQAPDW LAAEPY ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 ALA 2 2 PRO 3 3 ALA 4 4 ARG 5 5 PHE 6 6 CYS 7 7 VAL 8 8 TYR 9 9 TYR 10 10 ASP 11 11 GLY 12 12 HIS 13 13 LEU 14 14 PRO 15 15 ALA 16 16 THR 17 17 ARG 18 18 VAL 19 19 LEU 20 20 LEU 21 21 MET 22 22 TYR 23 23 VAL 24 24 ARG 25 25 ILE 26 26 GLY 27 27 THR 28 28 THR 29 29 ALA 30 30 THR 31 31 ILE 32 32 THR 33 33 ALA 34 34 ARG 35 35 GLY 36 36 HIS 37 37 GLU 38 38 PHE 39 39 GLU 40 40 VAL 41 41 GLU 42 42 ALA 43 43 LYS 44 44 ASP 45 45 GLN 46 46 ASN 47 47 CYS 48 48 LYS 49 49 VAL 50 50 ILE 51 51 LEU 52 52 THR 53 53 ASN 54 54 GLY 55 55 LYS 56 56 GLN 57 57 ALA 58 58 PRO 59 59 ASP 60 60 TRP 61 61 LEU 62 62 ALA 63 63 ALA 64 64 GLU 65 65 PRO 66 66 TYR stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity 'rice blast fungus' 318829 Eukaryota Fungi Magnaporthe oryzae 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 'recombinant technology' . Escherichia coli . pET-26b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 1 mM '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 10 mM 'natural abundance' 'sodium chloride' 20 mM 'natural abundance' D2O 10 % 'natural abundance' H2O 90 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 1 mM 'natural abundance' 'sodium phosphate' 10 mM 'natural abundance' 'sodium chloride' 20 mM 'natural abundance' D2O 10 % 'natural abundance' H2O 90 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 500 _Details 'with cryo-probe' save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer JEOL _Model ECA _Field_strength 600 _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_aliphatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_C(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_2D_1H-1H_TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_2 save_ save_2D_1H-1H_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_2 save_ save_2D_1H-15N_heteronuclear_NOE_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N heteronuclear NOE' _Sample_label $sample_1 save_ save_2D_1H-15N_T1_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N T1' _Sample_label $sample_1 save_ save_2D_1H-15N_T2_15 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N T2' _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' 20 . mM pH 6.5 . pH pressure 1 . atm temperature 308 . 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 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC aliphatic' '3D C(CO)NH' '3D HNCACB' '2D 1H-1H TOCSY' '2D 1H-1H NOESY' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name entity _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 2 2 PRO HA H 4.386 0.010 . 2 2 2 PRO HB2 H 1.810 0.016 . 3 2 2 PRO HB3 H 2.220 0.002 . 4 2 2 PRO HG2 H 1.958 0.011 . 5 2 2 PRO HG3 H 1.958 0.011 . 6 2 2 PRO HD2 H 3.745 0.001 . 7 2 2 PRO HD3 H 3.574 0.013 . 8 2 2 PRO CA C 62.756 0.000 . 9 2 2 PRO CB C 32.034 0.000 . 10 2 2 PRO CG C 27.303 0.000 . 11 2 2 PRO CD C 50.477 0.000 . 12 3 3 ALA H H 8.192 0.025 . 13 3 3 ALA HA H 4.306 0.008 . 14 3 3 ALA HB H 1.365 0.003 . 15 3 3 ALA CA C 52.756 0.000 . 16 3 3 ALA CB C 19.935 0.000 . 17 3 3 ALA N N 124.343 0.000 . 18 4 4 ARG H H 9.195 0.015 . 19 4 4 ARG HA H 4.323 0.014 . 20 4 4 ARG HB2 H 1.639 0.017 . 21 4 4 ARG HB3 H 1.356 0.004 . 22 4 4 ARG HG2 H 1.565 0.001 . 23 4 4 ARG HG3 H 1.431 0.001 . 24 4 4 ARG HD2 H 3.118 0.000 . 25 4 4 ARG HD3 H 2.974 0.005 . 26 4 4 ARG CA C 56.231 0.000 . 27 4 4 ARG CB C 33.629 0.000 . 28 4 4 ARG CG C 27.458 0.000 . 29 4 4 ARG CD C 43.384 0.000 . 30 4 4 ARG N N 119.928 0.000 . 31 5 5 PHE H H 9.242 0.020 . 32 5 5 PHE HA H 5.321 0.016 . 33 5 5 PHE HB2 H 3.144 0.000 . 34 5 5 PHE HB3 H 3.016 0.000 . 35 5 5 PHE HD1 H 7.117 0.000 . 36 5 5 PHE HD2 H 7.117 0.000 . 37 5 5 PHE HE1 H 6.908 0.000 . 38 5 5 PHE HE2 H 6.908 0.000 . 39 5 5 PHE CA C 56.914 0.000 . 40 5 5 PHE CB C 43.554 0.000 . 41 5 5 PHE N N 119.084 0.000 . 42 6 6 CYS H H 9.204 0.009 . 43 6 6 CYS HA H 5.281 0.005 . 44 6 6 CYS HB2 H 2.463 0.000 . 45 6 6 CYS HB3 H 2.224 0.000 . 46 6 6 CYS CA C 54.262 0.000 . 47 6 6 CYS CB C 39.730 0.000 . 48 6 6 CYS N N 116.173 0.000 . 49 7 7 VAL H H 9.474 0.017 . 50 7 7 VAL HA H 4.314 0.013 . 51 7 7 VAL HB H 1.679 0.010 . 52 7 7 VAL HG1 H 0.256 0.002 . 53 7 7 VAL HG2 H 0.097 0.020 . 54 7 7 VAL CA C 60.665 0.000 . 55 7 7 VAL CB C 32.359 0.000 . 56 7 7 VAL CG1 C 22.292 0.000 . 57 7 7 VAL CG2 C 20.794 0.000 . 58 7 7 VAL N N 126.228 0.000 . 59 8 8 TYR H H 8.195 0.015 . 60 8 8 TYR HA H 5.120 0.002 . 61 8 8 TYR HB2 H 2.615 0.012 . 62 8 8 TYR HB3 H 2.615 0.012 . 63 8 8 TYR HD1 H 6.784 0.000 . 64 8 8 TYR HD2 H 6.784 0.000 . 65 8 8 TYR HE1 H 6.354 0.000 . 66 8 8 TYR HE2 H 6.354 0.000 . 67 8 8 TYR CA C 57.174 0.000 . 68 8 8 TYR CB C 40.918 0.000 . 69 8 8 TYR N N 123.478 0.000 . 70 9 9 TYR H H 9.410 0.011 . 71 9 9 TYR HA H 5.209 0.012 . 72 9 9 TYR HB2 H 2.655 0.011 . 73 9 9 TYR HB3 H 2.496 0.016 . 74 9 9 TYR HD1 H 6.491 0.000 . 75 9 9 TYR HD2 H 6.491 0.000 . 76 9 9 TYR HE1 H 6.352 0.000 . 77 9 9 TYR HE2 H 6.352 0.000 . 78 9 9 TYR CA C 56.930 0.000 . 79 9 9 TYR CB C 44.026 0.000 . 80 9 9 TYR N N 119.745 0.000 . 81 10 10 ASP H H 8.948 0.009 . 82 10 10 ASP HA H 5.203 0.005 . 83 10 10 ASP HB2 H 2.982 0.007 . 84 10 10 ASP HB3 H 2.502 0.004 . 85 10 10 ASP CA C 52.879 0.000 . 86 10 10 ASP CB C 41.522 0.000 . 87 10 10 ASP N N 118.515 0.000 . 88 11 11 GLY H H 9.014 0.003 . 89 11 11 GLY HA2 H 4.748 0.003 . 90 11 11 GLY HA3 H 3.692 0.025 . 91 11 11 GLY CA C 44.213 0.000 . 92 11 11 GLY N N 114.853 0.000 . 93 12 12 HIS H H 8.133 0.017 . 94 12 12 HIS HA H 4.415 0.019 . 95 12 12 HIS HB2 H 3.210 0.006 . 96 12 12 HIS HB3 H 2.811 0.018 . 97 12 12 HIS HD2 H 7.152 0.000 . 98 12 12 HIS HE1 H 8.174 0.000 . 99 12 12 HIS CA C 56.572 0.000 . 100 12 12 HIS CB C 32.017 0.000 . 101 12 12 HIS N N 114.423 0.000 . 102 13 13 LEU H H 8.385 0.052 . 103 13 13 LEU HA H 4.777 0.003 . 104 13 13 LEU HB2 H 1.698 0.012 . 105 13 13 LEU HB3 H 1.698 0.012 . 106 13 13 LEU HG H 1.540 0.011 . 107 13 13 LEU HD1 H 0.911 0.011 . 108 13 13 LEU HD2 H 0.865 0.010 . 109 13 13 LEU CA C 52.049 0.000 . 110 13 13 LEU CB C 41.569 0.000 . 111 13 13 LEU CG C 26.821 0.000 . 112 13 13 LEU CD1 C 24.960 0.000 . 113 13 13 LEU CD2 C 23.786 0.000 . 114 13 13 LEU N N 123.763 0.000 . 115 14 14 PRO HA H 3.707 0.015 . 116 14 14 PRO HB2 H 1.869 0.016 . 117 14 14 PRO HB3 H 2.184 0.008 . 118 14 14 PRO HG2 H 2.087 0.035 . 119 14 14 PRO HG3 H 1.756 0.003 . 120 14 14 PRO HD2 H 4.037 0.012 . 121 14 14 PRO HD3 H 3.776 0.002 . 122 14 14 PRO CA C 65.579 0.000 . 123 14 14 PRO CB C 31.895 0.000 . 124 14 14 PRO CG C 27.619 0.000 . 125 14 14 PRO CD C 50.889 0.000 . 126 15 15 ALA H H 8.162 0.031 . 127 15 15 ALA HA H 4.149 0.011 . 128 15 15 ALA HB H 1.409 0.012 . 129 15 15 ALA CA C 54.628 0.000 . 130 15 15 ALA CB C 19.577 0.000 . 131 15 15 ALA N N 115.114 0.000 . 132 16 16 THR H H 7.153 0.005 . 133 16 16 THR HA H 4.553 0.005 . 134 16 16 THR HB H 4.366 0.002 . 135 16 16 THR HG2 H 1.050 0.007 . 136 16 16 THR CA C 60.331 0.000 . 137 16 16 THR CB C 70.574 0.000 . 138 16 16 THR CG2 C 22.140 0.000 . 139 16 16 THR N N 102.057 0.000 . 140 17 17 ARG H H 7.901 0.025 . 141 17 17 ARG HA H 4.716 0.006 . 142 17 17 ARG HB2 H 1.468 0.000 . 143 17 17 ARG HB3 H 1.360 0.000 . 144 17 17 ARG HG2 H 1.464 0.000 . 145 17 17 ARG HG3 H 0.960 0.000 . 146 17 17 ARG HD2 H 1.781 0.000 . 147 17 17 ARG HD3 H 1.697 0.000 . 148 17 17 ARG CA C 56.296 0.000 . 149 17 17 ARG CB C 30.021 0.000 . 150 17 17 ARG N N 122.509 0.000 . 151 18 18 VAL H H 8.568 0.014 . 152 18 18 VAL HA H 4.293 0.007 . 153 18 18 VAL HB H 2.076 0.008 . 154 18 18 VAL HG1 H 0.993 0.052 . 155 18 18 VAL HG2 H 0.992 0.075 . 156 18 18 VAL CA C 61.462 0.000 . 157 18 18 VAL CB C 35.247 0.000 . 158 18 18 VAL CG1 C 20.879 0.000 . 159 18 18 VAL CG2 C 20.908 0.000 . 160 18 18 VAL N N 122.027 0.000 . 161 19 19 LEU H H 8.670 0.036 . 162 19 19 LEU HA H 3.718 0.012 . 163 19 19 LEU HB2 H 1.609 0.000 . 164 19 19 LEU HB3 H 1.489 0.000 . 165 19 19 LEU HG H 0.868 0.012 . 166 19 19 LEU HD1 H 0.563 0.010 . 167 19 19 LEU HD2 H 0.418 0.021 . 168 19 19 LEU CA C 57.467 0.000 . 169 19 19 LEU CB C 41.862 0.000 . 170 19 19 LEU CG C 27.774 0.000 . 171 19 19 LEU CD1 C 24.639 0.000 . 172 19 19 LEU CD2 C 25.281 0.000 . 173 19 19 LEU N N 130.327 0.000 . 174 20 20 LEU H H 9.236 0.020 . 175 20 20 LEU HA H 4.588 0.003 . 176 20 20 LEU HB2 H 1.531 0.007 . 177 20 20 LEU HB3 H 1.382 0.009 . 178 20 20 LEU HG H 1.847 0.012 . 179 20 20 LEU HD1 H 0.978 0.001 . 180 20 20 LEU HD2 H 0.809 0.010 . 181 20 20 LEU CA C 55.873 0.000 . 182 20 20 LEU CB C 42.513 0.000 . 183 20 20 LEU CG C 26.445 0.000 . 184 20 20 LEU CD1 C 21.751 0.000 . 185 20 20 LEU CD2 C 27.270 0.000 . 186 20 20 LEU N N 126.389 0.000 . 187 21 21 MET H H 7.022 0.005 . 188 21 21 MET HA H 4.423 0.009 . 189 21 21 MET HB2 H 2.066 0.005 . 190 21 21 MET HB3 H 1.693 0.018 . 191 21 21 MET HG2 H 2.454 0.015 . 192 21 21 MET HG3 H 2.454 0.015 . 193 21 21 MET CA C 56.214 0.000 . 194 21 21 MET CB C 36.964 0.000 . 195 21 21 MET CG C 31.822 0.000 . 196 21 21 MET N N 114.450 0.000 . 197 22 22 TYR H H 8.515 0.032 . 198 22 22 TYR HA H 4.777 0.010 . 199 22 22 TYR HB2 H 2.777 0.001 . 200 22 22 TYR HB3 H 2.194 0.004 . 201 22 22 TYR HD1 H 6.481 0.000 . 202 22 22 TYR HD2 H 6.481 0.000 . 203 22 22 TYR HE1 H 6.048 0.000 . 204 22 22 TYR HE2 H 6.048 0.000 . 205 22 22 TYR CA C 57.988 0.000 . 206 22 22 TYR CB C 39.356 0.000 . 207 22 22 TYR N N 123.123 0.000 . 208 23 23 VAL H H 9.417 0.012 . 209 23 23 VAL HA H 4.371 0.004 . 210 23 23 VAL HB H 2.165 0.002 . 211 23 23 VAL HG1 H 0.776 0.016 . 212 23 23 VAL HG2 H 0.625 0.011 . 213 23 23 VAL CA C 61.503 0.000 . 214 23 23 VAL CB C 35.418 0.000 . 215 23 23 VAL CG1 C 21.774 0.000 . 216 23 23 VAL CG2 C 22.229 0.000 . 217 23 23 VAL N N 123.811 0.000 . 218 24 24 ARG H H 8.892 0.013 . 219 24 24 ARG HA H 3.885 0.032 . 220 24 24 ARG HB2 H 1.653 0.021 . 221 24 24 ARG HB3 H 1.653 0.021 . 222 24 24 ARG HG2 H 1.466 0.025 . 223 24 24 ARG HG3 H 1.466 0.025 . 224 24 24 ARG HD2 H 2.867 0.039 . 225 24 24 ARG HD3 H 2.867 0.039 . 226 24 24 ARG CA C 56.784 0.000 . 227 24 24 ARG CB C 30.178 0.000 . 228 24 24 ARG CG C 26.968 0.000 . 229 24 24 ARG CD C 42.871 0.000 . 230 24 24 ARG N N 129.194 0.000 . 231 25 25 ILE H H 8.312 0.009 . 232 25 25 ILE HA H 3.655 0.011 . 233 25 25 ILE HB H 1.248 0.013 . 234 25 25 ILE HG12 H 1.277 0.007 . 235 25 25 ILE HG13 H 0.750 0.017 . 236 25 25 ILE HG2 H 0.577 0.011 . 237 25 25 ILE HD1 H 0.413 0.018 . 238 25 25 ILE CA C 64.879 0.000 . 239 25 25 ILE CB C 37.154 0.000 . 240 25 25 ILE CG1 C 30.959 0.000 . 241 25 25 ILE CG2 C 16.925 0.000 . 242 25 25 ILE CD1 C 13.459 0.000 . 243 25 25 ILE N N 128.158 0.000 . 244 26 26 GLY H H 9.389 0.007 . 245 26 26 GLY HA2 H 4.363 0.017 . 246 26 26 GLY HA3 H 3.820 0.008 . 247 26 26 GLY CA C 44.352 0.000 . 248 26 26 GLY N N 115.464 0.000 . 249 27 27 THR H H 7.877 0.002 . 250 27 27 THR HA H 4.926 0.007 . 251 27 27 THR HB H 4.373 0.011 . 252 27 27 THR HG2 H 1.047 0.015 . 253 27 27 THR CA C 60.299 0.000 . 254 27 27 THR CB C 72.194 0.000 . 255 27 27 THR CG2 C 21.619 0.000 . 256 27 27 THR N N 111.341 0.000 . 257 28 28 THR H H 7.732 0.022 . 258 28 28 THR HA H 5.353 0.009 . 259 28 28 THR HB H 3.982 0.012 . 260 28 28 THR HG2 H 1.017 0.008 . 261 28 28 THR CA C 59.143 0.000 . 262 28 28 THR CB C 71.706 0.000 . 263 28 28 THR CG2 C 21.603 0.000 . 264 28 28 THR N N 108.952 0.000 . 265 29 29 ALA H H 8.634 0.009 . 266 29 29 ALA HA H 4.621 0.011 . 267 29 29 ALA HB H 1.260 0.005 . 268 29 29 ALA CA C 51.796 0.000 . 269 29 29 ALA CB C 24.556 0.000 . 270 29 29 ALA N N 122.383 0.000 . 271 30 30 THR H H 8.317 0.033 . 272 30 30 THR HA H 4.885 0.007 . 273 30 30 THR HB H 3.873 0.005 . 274 30 30 THR HG2 H 0.966 0.023 . 275 30 30 THR CA C 62.300 0.000 . 276 30 30 THR CB C 69.265 0.000 . 277 30 30 THR CG2 C 21.717 0.000 . 278 30 30 THR N N 115.881 0.000 . 279 31 31 ILE H H 9.166 0.017 . 280 31 31 ILE HA H 4.388 0.000 . 281 31 31 ILE HB H 1.704 0.005 . 282 31 31 ILE HG12 H 1.311 0.000 . 283 31 31 ILE HG13 H 0.971 0.000 . 284 31 31 ILE HG2 H 0.682 0.008 . 285 31 31 ILE HD1 H 0.330 0.008 . 286 31 31 ILE CA C 59.562 0.000 . 287 31 31 ILE CB C 40.634 0.000 . 288 31 31 ILE CG1 C 27.108 0.000 . 289 31 31 ILE CG2 C 18.219 0.000 . 290 31 31 ILE CD1 C 14.126 0.000 . 291 31 31 ILE N N 126.005 0.000 . 292 32 32 THR H H 8.441 0.042 . 293 32 32 THR HA H 5.300 0.003 . 294 32 32 THR HB H 3.933 0.013 . 295 32 32 THR HG2 H 1.030 0.003 . 296 32 32 THR CA C 60.885 0.000 . 297 32 32 THR CB C 69.867 0.000 . 298 32 32 THR CG2 C 20.740 0.000 . 299 32 32 THR N N 120.162 0.000 . 300 33 33 ALA H H 9.130 0.036 . 301 33 33 ALA HA H 4.644 0.002 . 302 33 33 ALA HB H 1.627 0.004 . 303 33 33 ALA CA C 51.975 0.000 . 304 33 33 ALA CB C 22.897 0.000 . 305 33 33 ALA N N 127.525 0.000 . 306 34 34 ARG H H 9.232 0.026 . 307 34 34 ARG HA H 3.814 0.001 . 308 34 34 ARG HB2 H 2.015 0.000 . 309 34 34 ARG HB3 H 1.672 0.000 . 310 34 34 ARG HG2 H 1.095 0.003 . 311 34 34 ARG HG3 H 0.778 0.001 . 312 34 34 ARG HD2 H 2.502 0.006 . 313 34 34 ARG HD3 H 1.758 0.001 . 314 34 34 ARG HE H 6.919 0.000 . 315 34 34 ARG CA C 57.028 0.000 . 316 34 34 ARG CB C 27.337 0.000 . 317 34 34 ARG CG C 26.527 0.000 . 318 34 34 ARG CD C 43.437 0.000 . 319 34 34 ARG N N 118.330 0.000 . 320 35 35 GLY H H 8.642 0.032 . 321 35 35 GLY HA2 H 3.942 0.009 . 322 35 35 GLY HA3 H 3.493 0.006 . 323 35 35 GLY CA C 45.368 0.000 . 324 35 35 GLY N N 104.002 0.000 . 325 36 36 HIS H H 8.188 0.002 . 326 36 36 HIS HA H 4.703 0.001 . 327 36 36 HIS HB2 H 3.057 0.000 . 328 36 36 HIS HB3 H 2.757 0.000 . 329 36 36 HIS HD2 H 7.008 0.000 . 330 36 36 HIS HE1 H 8.238 0.000 . 331 36 36 HIS CA C 54.376 0.000 . 332 36 36 HIS CB C 32.880 0.000 . 333 36 36 HIS N N 119.875 0.000 . 334 37 37 GLU H H 7.991 0.024 . 335 37 37 GLU HA H 5.018 0.003 . 336 37 37 GLU HB2 H 1.700 0.009 . 337 37 37 GLU HB3 H 1.606 0.014 . 338 37 37 GLU HG2 H 2.049 0.000 . 339 37 37 GLU HG3 H 1.987 0.000 . 340 37 37 GLU CA C 55.092 0.000 . 341 37 37 GLU CB C 31.863 0.000 . 342 37 37 GLU CG C 36.775 0.000 . 343 37 37 GLU N N 119.578 0.000 . 344 38 38 PHE H H 9.149 0.025 . 345 38 38 PHE HA H 4.755 0.004 . 346 38 38 PHE HB2 H 2.694 0.017 . 347 38 38 PHE HB3 H 2.583 0.009 . 348 38 38 PHE HD1 H 7.059 0.000 . 349 38 38 PHE HD2 H 7.059 0.000 . 350 38 38 PHE HE1 H 7.394 0.000 . 351 38 38 PHE HE2 H 7.394 0.000 . 352 38 38 PHE HZ H 7.223 0.000 . 353 38 38 PHE CA C 56.442 0.000 . 354 38 38 PHE CB C 41.569 0.000 . 355 38 38 PHE N N 121.593 0.000 . 356 39 39 GLU H H 8.539 0.020 . 357 39 39 GLU HA H 5.186 0.002 . 358 39 39 GLU HB2 H 2.159 0.009 . 359 39 39 GLU HB3 H 1.696 0.004 . 360 39 39 GLU HG2 H 1.966 0.013 . 361 39 39 GLU HG3 H 1.966 0.013 . 362 39 39 GLU CA C 55.531 0.000 . 363 39 39 GLU CB C 30.309 0.000 . 364 39 39 GLU CG C 37.322 0.000 . 365 39 39 GLU N N 125.332 0.000 . 366 40 40 VAL H H 8.773 0.012 . 367 40 40 VAL HA H 5.396 0.001 . 368 40 40 VAL HB H 1.952 0.002 . 369 40 40 VAL HG1 H 0.502 0.010 . 370 40 40 VAL HG2 H 0.239 0.012 . 371 40 40 VAL CA C 58.517 0.000 . 372 40 40 VAL CB C 34.287 0.000 . 373 40 40 VAL CG1 C 20.830 0.000 . 374 40 40 VAL CG2 C 17.087 0.000 . 375 40 40 VAL N N 120.623 0.000 . 376 41 41 GLU H H 7.973 0.006 . 377 41 41 GLU HA H 4.553 0.009 . 378 41 41 GLU HB2 H 1.794 0.003 . 379 41 41 GLU HB3 H 1.554 0.008 . 380 41 41 GLU HG2 H 1.906 0.000 . 381 41 41 GLU HG3 H 1.568 0.000 . 382 41 41 GLU CA C 54.359 0.000 . 383 41 41 GLU CB C 32.408 0.000 . 384 41 41 GLU CG C 35.507 0.000 . 385 41 41 GLU N N 118.742 0.000 . 386 42 42 ALA H H 8.181 0.003 . 387 42 42 ALA HA H 4.662 0.029 . 388 42 42 ALA HB H 1.332 0.012 . 389 42 42 ALA CA C 50.446 0.000 . 390 42 42 ALA CB C 18.015 0.000 . 391 42 42 ALA N N 132.540 0.000 . 392 43 43 LYS H H 9.029 0.027 . 393 43 43 LYS HA H 3.955 0.015 . 394 43 43 LYS HB2 H 1.692 0.013 . 395 43 43 LYS HB3 H 1.577 0.006 . 396 43 43 LYS HG2 H 1.371 0.001 . 397 43 43 LYS HG3 H 1.225 0.022 . 398 43 43 LYS HD2 H 1.560 0.008 . 399 43 43 LYS HD3 H 1.560 0.008 . 400 43 43 LYS HE2 H 2.879 0.014 . 401 43 43 LYS HE3 H 2.879 0.014 . 402 43 43 LYS CA C 59.648 0.000 . 403 43 43 LYS CB C 34.670 0.000 . 404 43 43 LYS CG C 25.027 0.000 . 405 43 43 LYS CD C 29.031 0.000 . 406 43 43 LYS CE C 41.878 0.000 . 407 43 43 LYS N N 125.936 0.000 . 408 44 44 ASP H H 7.463 0.005 . 409 44 44 ASP HA H 4.338 0.009 . 410 44 44 ASP HB2 H 2.958 0.003 . 411 44 44 ASP HB3 H 2.958 0.003 . 412 44 44 ASP CA C 53.074 0.000 . 413 44 44 ASP CB C 41.337 0.000 . 414 44 44 ASP N N 110.443 0.000 . 415 45 45 GLN H H 8.370 0.016 . 416 45 45 GLN HA H 4.064 0.007 . 417 45 45 GLN HB2 H 2.149 0.025 . 418 45 45 GLN HB3 H 2.056 0.003 . 419 45 45 GLN HG2 H 2.295 0.014 . 420 45 45 GLN HG3 H 2.295 0.014 . 421 45 45 GLN HE21 H 6.950 0.000 . 422 45 45 GLN HE22 H 7.540 0.000 . 423 45 45 GLN CA C 57.663 0.000 . 424 45 45 GLN CB C 28.047 0.000 . 425 45 45 GLN CG C 33.162 0.000 . 426 45 45 GLN N N 112.575 0.000 . 427 46 46 ASN H H 8.704 0.002 . 428 46 46 ASN HA H 4.536 0.008 . 429 46 46 ASN HB2 H 2.973 0.000 . 430 46 46 ASN HB3 H 2.603 0.000 . 431 46 46 ASN HD21 H 7.587 0.000 . 432 46 46 ASN HD22 H 7.042 0.000 . 433 46 46 ASN CA C 55.271 0.000 . 434 46 46 ASN CB C 38.046 0.000 . 435 46 46 ASN N N 117.659 0.000 . 436 47 47 CYS H H 8.486 0.017 . 437 47 47 CYS HA H 4.397 0.004 . 438 47 47 CYS HB2 H 2.742 0.001 . 439 47 47 CYS HB3 H 2.219 0.016 . 440 47 47 CYS CA C 55.075 0.000 . 441 47 47 CYS CB C 36.199 0.000 . 442 47 47 CYS N N 112.520 0.000 . 443 48 48 LYS H H 7.970 0.015 . 444 48 48 LYS HA H 4.130 0.011 . 445 48 48 LYS HB2 H 1.620 0.002 . 446 48 48 LYS HB3 H 1.620 0.002 . 447 48 48 LYS HG2 H 1.478 0.004 . 448 48 48 LYS HG3 H 1.342 0.014 . 449 48 48 LYS HD2 H 1.635 0.005 . 450 48 48 LYS HD3 H 1.635 0.005 . 451 48 48 LYS HE2 H 2.955 0.004 . 452 48 48 LYS HE3 H 2.955 0.004 . 453 48 48 LYS CA C 56.865 0.000 . 454 48 48 LYS CB C 32.180 0.000 . 455 48 48 LYS CG C 25.291 0.000 . 456 48 48 LYS CD C 28.698 0.000 . 457 48 48 LYS CE C 42.253 0.000 . 458 48 48 LYS N N 116.117 0.000 . 459 49 49 VAL H H 8.951 0.036 . 460 49 49 VAL HA H 3.632 0.028 . 461 49 49 VAL HB H 2.007 0.006 . 462 49 49 VAL HG1 H 0.893 0.005 . 463 49 49 VAL HG2 H 0.623 0.013 . 464 49 49 VAL CA C 64.782 0.000 . 465 49 49 VAL CB C 30.317 0.000 . 466 49 49 VAL CG1 C 21.497 0.000 . 467 49 49 VAL CG2 C 22.213 0.000 . 468 49 49 VAL N N 126.872 0.000 . 469 50 50 ILE H H 8.666 0.028 . 470 50 50 ILE HA H 4.135 0.010 . 471 50 50 ILE HB H 2.018 0.015 . 472 50 50 ILE HG12 H 1.320 0.005 . 473 50 50 ILE HG13 H 0.882 0.000 . 474 50 50 ILE HG2 H 0.808 0.009 . 475 50 50 ILE HD1 H 0.838 0.000 . 476 50 50 ILE CA C 60.535 0.000 . 477 50 50 ILE CB C 41.659 0.000 . 478 50 50 ILE CG1 C 26.872 0.000 . 479 50 50 ILE CG2 C 17.494 0.000 . 480 50 50 ILE CD1 C 14.142 0.000 . 481 50 50 ILE N N 132.487 0.000 . 482 51 51 LEU H H 8.789 0.032 . 483 51 51 LEU HA H 5.250 0.010 . 484 51 51 LEU HB2 H 2.000 0.004 . 485 51 51 LEU HB3 H 1.728 0.019 . 486 51 51 LEU HG H 1.595 0.009 . 487 51 51 LEU HD1 H 0.798 0.005 . 488 51 51 LEU HD2 H 0.730 0.002 . 489 51 51 LEU CA C 53.245 0.000 . 490 51 51 LEU CB C 41.146 0.000 . 491 51 51 LEU CG C 28.120 0.000 . 492 51 51 LEU CD1 C 25.803 0.000 . 493 51 51 LEU CD2 C 23.942 0.000 . 494 51 51 LEU N N 125.179 0.000 . 495 52 52 THR H H 8.528 0.023 . 496 52 52 THR HA H 4.079 0.009 . 497 52 52 THR HB H 4.258 0.010 . 498 52 52 THR HG2 H 1.090 0.010 . 499 52 52 THR CA C 63.822 0.000 . 500 52 52 THR CB C 68.335 0.000 . 501 52 52 THR CG2 C 23.108 0.000 . 502 52 52 THR N N 115.511 0.000 . 503 53 53 ASN H H 8.149 0.022 . 504 53 53 ASN HA H 4.514 0.016 . 505 53 53 ASN HB2 H 3.153 0.000 . 506 53 53 ASN HB3 H 2.888 0.000 . 507 53 53 ASN HD21 H 7.271 0.000 . 508 53 53 ASN HD22 H 6.641 0.000 . 509 53 53 ASN CA C 52.740 0.000 . 510 53 53 ASN CB C 37.314 0.000 . 511 53 53 ASN N N 116.941 0.000 . 512 54 54 GLY H H 7.949 0.007 . 513 54 54 GLY HA2 H 4.052 0.011 . 514 54 54 GLY HA3 H 3.824 0.006 . 515 54 54 GLY CA C 45.735 0.000 . 516 54 54 GLY N N 106.580 0.000 . 517 55 55 LYS H H 7.806 0.046 . 518 55 55 LYS HA H 4.251 0.014 . 519 55 55 LYS HB2 H 1.802 0.003 . 520 55 55 LYS HB3 H 1.802 0.003 . 521 55 55 LYS HG2 H 1.265 0.014 . 522 55 55 LYS HG3 H 1.265 0.014 . 523 55 55 LYS HD2 H 1.625 0.021 . 524 55 55 LYS HD3 H 1.625 0.021 . 525 55 55 LYS HE2 H 2.946 0.020 . 526 55 55 LYS HE3 H 2.946 0.020 . 527 55 55 LYS CA C 55.848 0.000 . 528 55 55 LYS CB C 32.595 0.000 . 529 55 55 LYS CG C 25.809 0.000 . 530 55 55 LYS CD C 28.690 0.000 . 531 55 55 LYS CE C 42.469 0.000 . 532 55 55 LYS N N 120.679 0.000 . 533 56 56 GLN H H 8.241 0.027 . 534 56 56 GLN HA H 4.114 0.011 . 535 56 56 GLN HB2 H 1.919 0.008 . 536 56 56 GLN HB3 H 1.919 0.008 . 537 56 56 GLN HG2 H 2.376 0.010 . 538 56 56 GLN HG3 H 2.376 0.010 . 539 56 56 GLN HE21 H 6.838 0.000 . 540 56 56 GLN HE22 H 7.644 0.000 . 541 56 56 GLN CA C 55.865 0.000 . 542 56 56 GLN CB C 29.228 0.000 . 543 56 56 GLN CG C 33.620 0.000 . 544 56 56 GLN N N 119.471 0.000 . 545 57 57 ALA H H 8.667 0.040 . 546 57 57 ALA HA H 4.136 0.002 . 547 57 57 ALA HB H 1.065 0.006 . 548 57 57 ALA CA C 50.210 0.000 . 549 57 57 ALA CB C 18.056 0.000 . 550 57 57 ALA N N 129.241 0.000 . 551 58 58 PRO HA H 4.181 0.009 . 552 58 58 PRO HB2 H 0.003 0.016 . 553 58 58 PRO HB3 H 1.740 0.003 . 554 58 58 PRO HG2 H 1.435 0.000 . 555 58 58 PRO HG3 H 0.694 0.003 . 556 58 58 PRO HD2 H 3.413 0.000 . 557 58 58 PRO HD3 H 2.508 0.000 . 558 58 58 PRO CA C 62.162 0.000 . 559 58 58 PRO CB C 31.226 0.000 . 560 58 58 PRO CG C 27.444 0.000 . 561 58 58 PRO CD C 49.686 0.000 . 562 59 59 ASP H H 8.576 0.039 . 563 59 59 ASP HA H 4.151 0.018 . 564 59 59 ASP HB2 H 2.716 0.003 . 565 59 59 ASP HB3 H 2.716 0.003 . 566 59 59 ASP CA C 56.483 0.000 . 567 59 59 ASP CB C 40.568 0.000 . 568 59 59 ASP N N 120.839 0.000 . 569 60 60 TRP H H 6.701 0.004 . 570 60 60 TRP HA H 4.460 0.001 . 571 60 60 TRP HB2 H 3.682 0.004 . 572 60 60 TRP HB3 H 3.077 0.007 . 573 60 60 TRP HD1 H 7.315 0.000 . 574 60 60 TRP HE1 H 10.334 0.000 . 575 60 60 TRP HE3 H 7.228 0.000 . 576 60 60 TRP HZ2 H 7.387 0.000 . 577 60 60 TRP HZ3 H 6.564 0.000 . 578 60 60 TRP HH2 H 6.905 0.000 . 579 60 60 TRP CA C 54.579 0.000 . 580 60 60 TRP CB C 29.366 0.000 . 581 60 60 TRP N N 114.095 0.000 . 582 61 61 LEU H H 6.541 0.000 . 583 61 61 LEU HA H 4.743 0.018 . 584 61 61 LEU HB2 H 1.249 0.006 . 585 61 61 LEU HB3 H 0.190 0.017 . 586 61 61 LEU HG H 1.151 0.009 . 587 61 61 LEU HD1 H 0.579 0.013 . 588 61 61 LEU HD2 H 0.246 0.012 . 589 61 61 LEU CA C 54.839 0.000 . 590 61 61 LEU CB C 42.083 0.000 . 591 61 61 LEU CG C 26.867 0.000 . 592 61 61 LEU CD1 C 23.704 0.000 . 593 61 61 LEU CD2 C 25.394 0.000 . 594 61 61 LEU N N 123.142 0.000 . 595 62 62 ALA H H 8.993 0.020 . 596 62 62 ALA HA H 4.644 0.004 . 597 62 62 ALA HB H 0.931 0.020 . 598 62 62 ALA CA C 50.478 0.000 . 599 62 62 ALA CB C 23.434 0.000 . 600 62 62 ALA N N 131.106 0.000 . 601 63 63 ALA H H 8.139 0.030 . 602 63 63 ALA HA H 5.633 0.001 . 603 63 63 ALA HB H 0.625 0.008 . 604 63 63 ALA CA C 51.143 0.000 . 605 63 63 ALA CB C 22.490 0.000 . 606 63 63 ALA N N 118.796 0.000 . 607 64 64 GLU H H 8.563 0.004 . 608 64 64 GLU HA H 4.902 0.001 . 609 64 64 GLU HB2 H 2.159 0.001 . 610 64 64 GLU HB3 H 1.982 0.007 . 611 64 64 GLU HG2 H 2.335 0.000 . 612 64 64 GLU HG3 H 2.164 0.000 . 613 64 64 GLU CA C 53.009 0.000 . 614 64 64 GLU CB C 32.619 0.000 . 615 64 64 GLU CG C 35.642 0.000 . 616 64 64 GLU N N 116.715 0.000 . 617 65 65 PRO HA H 5.486 0.006 . 618 65 65 PRO HB2 H 1.905 0.006 . 619 65 65 PRO HB3 H 2.380 0.008 . 620 65 65 PRO HG2 H 2.093 0.024 . 621 65 65 PRO HG3 H 2.093 0.024 . 622 65 65 PRO HD2 H 3.767 0.012 . 623 65 65 PRO HD3 H 3.498 0.019 . 624 65 65 PRO CA C 62.878 0.000 . 625 65 65 PRO CB C 32.606 0.000 . 626 65 65 PRO CG C 27.536 0.000 . 627 65 65 PRO CD C 50.559 0.000 . 628 66 66 TYR H H 8.844 0.009 . 629 66 66 TYR HA H 4.397 0.007 . 630 66 66 TYR HB2 H 3.021 0.006 . 631 66 66 TYR HB3 H 2.708 0.011 . 632 66 66 TYR HD1 H 7.226 0.000 . 633 66 66 TYR HD2 H 7.226 0.000 . 634 66 66 TYR HE1 H 6.777 0.000 . 635 66 66 TYR HE2 H 6.777 0.000 . 636 66 66 TYR CA C 61.438 0.000 . 637 66 66 TYR CB C 43.156 0.000 . 638 66 66 TYR N N 127.202 0.000 . stop_ save_ save_heteronuclear_T1_list_1 _Saveframe_category T1_relaxation _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 600 _T1_coherence_type Iz _T1_value_units s-1 _Mol_system_component_name entity _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 3 ALA N 1.86 0.07 2 4 ARG N 1.96 0.17 3 5 PHE N 2.14 0.08 4 6 CYS N 2.26 0.08 5 7 VAL N 2.28 0.06 6 8 TYR N 2.25 0.05 7 9 TYR N 2.33 0.15 8 10 ASP N 2.10 0.11 9 11 GLY N 2.26 0.13 10 12 HIS N 2.32 0.02 11 13 LEU N 2.49 0.06 12 15 ALA N 2.48 0.03 13 16 THR N 2.33 0.14 14 17 ARG N 2.04 0.07 15 18 VAL N 2.25 0.10 16 19 LEU N 2.18 0.03 17 20 LEU N 2.30 0.12 18 21 MET N 2.07 0.14 19 22 TYR N 1.87 0.01 20 23 VAL N 2.20 0.12 21 24 ARG N 2.28 0.15 22 25 ILE N 2.35 0.10 23 26 GLY N 2.24 0.06 24 27 THR N 2.36 0.10 25 28 THR N 2.07 0.02 26 29 ALA N 2.25 0.10 27 30 THR N 2.01 0.05 28 31 ILE N 2.33 0.09 29 32 THR N 2.03 0.01 30 33 ALA N 2.14 0.02 31 34 ARG N 2.46 0.06 32 35 GLY N 2.49 0.02 33 36 HIS N 2.39 0.11 34 37 GLU N 2.25 0.06 35 38 PHE N 1.95 0.03 36 39 GLU N 2.10 0.11 37 40 VAL N 2.36 0.11 38 41 GLU N 2.20 0.10 39 42 ALA N 2.28 0.07 40 43 LYS N 2.18 0.07 41 44 ASP N 2.41 0.18 42 45 GLN N 2.14 0.08 43 46 ASN N 2.51 0.15 44 47 CYS N 2.46 0.09 45 48 LYS N 2.40 0.09 46 49 VAL N 2.32 0.02 47 50 ILE N 2.40 0.04 48 51 LEU N 2.16 0.02 49 52 THR N 2.27 0.07 50 53 ASN N 2.18 0.07 51 54 GLY N 2.14 0.10 52 55 LYS N 1.98 0.04 53 56 GLN N 2.03 0.07 54 57 ALA N 2.12 0.17 55 59 ASP N 2.30 0.06 56 60 TRP N 2.33 0.18 57 61 LEU N 2.46 0.18 58 62 ALA N 2.27 0.09 59 63 ALA N 2.01 0.03 60 64 GLU N 2.24 0.12 61 66 TYR N 2.15 0.12 stop_ save_ save_heteronuclear_T2_list_1 _Saveframe_category T2_relaxation _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 600 _T2_coherence_type I(+,-) _T2_value_units s-1 _Mol_system_component_name entity _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 ALA N 5.81 0.17 . . 2 4 ARG N 7.78 0.27 . . 3 5 PHE N 7.89 0.24 . . 4 6 CYS N 7.60 0.24 . . 5 7 VAL N 7.25 0.15 . . 6 8 TYR N 7.03 0.23 . . 7 9 TYR N 8.44 0.20 . . 8 10 ASP N 7.50 0.23 . . 9 11 GLY N 7.58 0.16 . . 10 12 HIS N 8.73 0.28 . . 11 13 LEU N 8.73 0.26 . . 12 15 ALA N 10.90 0.38 . . 13 16 THR N 7.88 0.24 . . 14 17 ARG N 7.72 0.25 . . 15 18 VAL N 8.19 0.21 . . 16 19 LEU N 9.48 0.39 . . 17 20 LEU N 7.61 0.18 . . 18 21 MET N 7.57 0.22 . . 19 22 TYR N 6.69 0.22 . . 20 23 VAL N 7.18 0.19 . . 21 24 ARG N 9.63 0.41 . . 22 25 ILE N 9.79 0.33 . . 23 26 GLY N 8.16 0.23 . . 24 27 THR N 7.68 0.18 . . 25 28 THR N 8.25 0.26 . . 26 29 ALA N 8.28 0.21 . . 27 30 THR N 7.32 0.22 . . 28 31 ILE N 7.80 0.27 . . 29 32 THR N 8.26 0.23 . . 30 33 ALA N 8.57 0.25 . . 31 34 ARG N 8.63 0.22 . . 32 35 GLY N 10.12 0.30 . . 33 36 HIS N 7.76 0.18 . . 34 37 GLU N 7.33 0.23 . . 35 38 PHE N 7.23 0.17 . . 36 39 GLU N 6.74 0.18 . . 37 40 VAL N 8.79 0.23 . . 38 41 GLU N 8.08 0.25 . . 39 42 ALA N 8.73 0.20 . . 40 43 LYS N 7.73 0.14 . . 41 44 ASP N 7.61 0.19 . . 42 45 GLN N 6.97 0.27 . . 43 46 ASN N 8.17 0.19 . . 44 47 CYS N 8.30 0.18 . . 45 48 LYS N 8.79 0.25 . . 46 49 VAL N 8.49 0.27 . . 47 50 ILE N 10.31 0.30 . . 48 51 LEU N 7.00 0.13 . . 49 52 THR N 12.12 0.42 . . 50 53 ASN N 9.27 0.31 . . 51 54 GLY N 10.55 0.43 . . 52 55 LYS N 8.15 0.27 . . 53 56 GLN N 7.87 0.19 . . 54 57 ALA N 8.46 0.34 . . 55 59 ASP N 9.67 0.29 . . 56 60 TRP N 8.06 0.21 . . 57 61 LEU N 8.05 0.28 . . 58 62 ALA N 9.46 0.31 . . 59 63 ALA N 7.49 0.19 . . 60 64 GLU N 7.46 0.16 . . 61 66 TYR N 9.90 0.34 . . stop_ save_ save_heteronuclear_noe_list_1 _Saveframe_category heteronuclear_NOE _Details . loop_ _Experiment_label '2D 1H-15N heteronuclear NOE' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 600 _Mol_system_component_name entity _Atom_one_atom_name N _Atom_two_atom_name H _Heteronuclear_NOE_value_type 'peak height' _NOE_reference_value 0 _NOE_reference_description . _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 3 ALA 0.44 0.01 4 ARG 0.68 0.03 5 PHE 0.80 0.02 6 CYS 0.75 0.02 7 VAL 0.78 0.02 8 TYR 0.77 0.02 9 TYR 0.79 0.02 10 ASP 0.73 0.02 11 GLY 0.77 0.02 12 HIS 0.83 0.02 13 LEU 0.85 0.02 15 ALA 0.83 0.02 16 THR 0.79 0.02 17 ARG 0.75 0.01 18 VAL 0.75 0.02 19 LEU 0.74 0.01 20 LEU 0.76 0.02 21 MET 0.71 0.02 22 TYR 0.74 0.02 23 VAL 0.78 0.02 24 ARG 0.74 0.02 25 ILE 0.77 0.02 26 GLY 0.79 0.02 27 THR 0.79 0.02 28 THR 0.81 0.02 29 ALA 0.78 0.01 30 THR 0.76 0.02 31 ILE 0.80 0.02 32 THR 0.78 0.02 33 ALA 0.81 0.02 34 ARG 0.75 0.02 35 GLY 0.82 0.02 36 HIS 0.78 0.01 37 GLU 0.78 0.02 38 PHE 0.76 0.02 39 GLU 0.68 0.01 40 VAL 0.80 0.02 41 GLU 0.78 0.02 42 ALA 0.77 0.02 43 LYS 0.81 0.02 44 ASP 0.83 0.01 45 GLN 0.78 0.02 46 ASN 0.84 0.02 47 CYS 0.80 0.01 48 LYS 0.80 0.01 49 VAL 0.72 0.01 50 ILE 0.80 0.02 51 LEU 0.77 0.02 52 THR 0.75 0.01 53 ASN 0.88 0.02 54 GLY 0.75 0.01 55 LYS 0.81 0.02 56 GLN 0.74 0.01 57 ALA 0.76 0.01 59 ASP 0.87 0.02 60 TRP 0.82 0.01 61 LEU 0.80 0.01 62 ALA 0.77 0.02 63 ALA 0.76 0.01 64 GLU 0.73 0.02 66 TYR 0.74 0.02 stop_ save_