############################## # Heteronuclear NOE values # ############################## save_heteronucl_NOE_list_alpha _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronucl_NOE_list_alpha _Heteronucl_NOE_list.Entry_ID 6466 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 500 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak integral' _Heteronucl_NOE_list.NOE_ref_val 0 _Heteronucl_NOE_list.NOE_ref_description 'see Dellwo, M. J., Wand, A. J., (1989) J. Am. Chem. Soc. 111, 4571-4578' _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID . . 1 $H2O-D2O . 6466 1 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 1 1 MET CA C 13 . 1 1 1 1 MET HA H 1 1.38 . . . . . . . . . . . 6466 1 2 . 1 1 2 2 GLN CA C 13 . 1 1 2 2 GLN HA H 1 1.28 . . . . . . . . . . . 6466 1 3 . 1 1 5 5 VAL CA C 13 . 1 1 5 5 VAL HA H 1 1.15 . . . . . . . . . . . 6466 1 4 . 1 1 6 6 LYS CA C 13 . 1 1 6 6 LYS HA H 1 1.37 . . . . . . . . . . . 6466 1 5 . 1 1 7 7 THR CA C 13 . 1 1 7 7 THR HA H 1 1.20 . . . . . . . . . . . 6466 1 6 . 1 1 9 9 THR CA C 13 . 1 1 9 9 THR HA H 1 1.29 . . . . . . . . . . . 6466 1 7 . 1 1 11 11 LYS CA C 13 . 1 1 11 11 LYS HA H 1 1.96 . . . . . . . . . . . 6466 1 8 . 1 1 12 12 THR CA C 13 . 1 1 12 12 THR HA H 1 1.43 . . . . . . . . . . . 6466 1 9 . 1 1 13 13 ILE CA C 13 . 1 1 13 13 ILE HA H 1 1.05 . . . . . . . . . . . 6466 1 10 . 1 1 14 14 THR CA C 13 . 1 1 14 14 THR HA H 1 1.43 . . . . . . . . . . . 6466 1 11 . 1 1 18 18 GLU CA C 13 . 1 1 18 18 GLU HA H 1 1.59 . . . . . . . . . . . 6466 1 12 . 1 1 19 19 PRO CA C 13 . 1 1 19 19 PRO HA H 1 1.57 . . . . . . . . . . . 6466 1 13 . 1 1 22 22 THR CA C 13 . 1 1 22 22 THR HA H 1 1.05 . . . . . . . . . . . 6466 1 14 . 1 1 23 23 ILE CA C 13 . 1 1 23 23 ILE HA H 1 1.43 . . . . . . . . . . . 6466 1 15 . 1 1 24 24 GLU CA C 13 . 1 1 24 24 GLU HA H 1 2.10 . . . . . . . . . . . 6466 1 16 . 1 1 26 26 VAL CA C 13 . 1 1 26 26 VAL HA H 1 1.56 . . . . . . . . . . . 6466 1 17 . 1 1 27 27 LYS CA C 13 . 1 1 27 27 LYS HA H 1 1.04 . . . . . . . . . . . 6466 1 18 . 1 1 28 28 ALA CA C 13 . 1 1 28 28 ALA HA H 1 1.18 . . . . . . . . . . . 6466 1 19 . 1 1 30 30 ILE CA C 13 . 1 1 30 30 ILE HA H 1 1.19 . . . . . . . . . . . 6466 1 20 . 1 1 31 31 GLN CA C 13 . 1 1 31 31 GLN HA H 1 1.46 . . . . . . . . . . . 6466 1 21 . 1 1 33 33 LYS CA C 13 . 1 1 33 33 LYS HA H 1 1.26 . . . . . . . . . . . 6466 1 22 . 1 1 34 34 GLU CA C 13 . 1 1 34 34 GLU HA H 1 0.98 . . . . . . . . . . . 6466 1 23 . 1 1 36 36 ILE CA C 13 . 1 1 36 36 ILE HA H 1 1.27 . . . . . . . . . . . 6466 1 24 . 1 1 37 37 PRO CA C 13 . 1 1 37 37 PRO HA H 1 1.38 . . . . . . . . . . . 6466 1 25 . 1 1 38 38 PRO CA C 13 . 1 1 38 38 PRO HA H 1 1.64 . . . . . . . . . . . 6466 1 26 . 1 1 39 39 ASP CA C 13 . 1 1 39 39 ASP HA H 1 1.93 . . . . . . . . . . . 6466 1 27 . 1 1 40 40 GLN CA C 13 . 1 1 40 40 GLN HA H 1 1.51 . . . . . . . . . . . 6466 1 28 . 1 1 41 41 GLN CA C 13 . 1 1 41 41 GLN HA H 1 1.14 . . . . . . . . . . . 6466 1 29 . 1 1 42 42 ARG CA C 13 . 1 1 42 42 ARG HA H 1 1.62 . . . . . . . . . . . 6466 1 30 . 1 1 43 43 LEU CA C 13 . 1 1 43 43 LEU HA H 1 1.29 . . . . . . . . . . . 6466 1 31 . 1 1 44 44 ILE CA C 13 . 1 1 44 44 ILE HA H 1 1.31 . . . . . . . . . . . 6466 1 32 . 1 1 46 46 ALA CA C 13 . 1 1 46 46 ALA HA H 1 1.41 . . . . . . . . . . . 6466 1 33 . 1 1 48 48 LYS CA C 13 . 1 1 48 48 LYS HA H 1 1.18 . . . . . . . . . . . 6466 1 34 . 1 1 50 50 LEU CA C 13 . 1 1 50 50 LEU HA H 1 1.56 . . . . . . . . . . . 6466 1 35 . 1 1 52 52 ASP CA C 13 . 1 1 52 52 ASP HA H 1 2.28 . . . . . . . . . . . 6466 1 36 . 1 1 55 55 THR CA C 13 . 1 1 55 55 THR HA H 1 1.25 . . . . . . . . . . . 6466 1 37 . 1 1 56 56 LEU CA C 13 . 1 1 56 56 LEU HA H 1 1.39 . . . . . . . . . . . 6466 1 38 . 1 1 57 57 SER CA C 13 . 1 1 57 57 SER HA H 1 1.58 . . . . . . . . . . . 6466 1 39 . 1 1 60 60 ASN CA C 13 . 1 1 60 60 ASN HA H 1 1.32 . . . . . . . . . . . 6466 1 40 . 1 1 61 61 ILE CA C 13 . 1 1 61 61 ILE HA H 1 1.30 . . . . . . . . . . . 6466 1 41 . 1 1 62 62 GLN CA C 13 . 1 1 62 62 GLN HA H 1 1.57 . . . . . . . . . . . 6466 1 42 . 1 1 63 63 LYS CA C 13 . 1 1 63 63 LYS HA H 1 1.51 . . . . . . . . . . . 6466 1 43 . 1 1 64 64 GLU CA C 13 . 1 1 64 64 GLU HA H 1 1.34 . . . . . . . . . . . 6466 1 44 . 1 1 65 65 SER CA C 13 . 1 1 65 65 SER HA H 1 1.09 . . . . . . . . . . . 6466 1 45 . 1 1 66 66 THR CA C 13 . 1 1 66 66 THR HA H 1 1.33 . . . . . . . . . . . 6466 1 46 . 1 1 69 69 LEU CA C 13 . 1 1 69 69 LEU HA H 1 1.49 . . . . . . . . . . . 6466 1 47 . 1 1 70 70 VAL CA C 13 . 1 1 70 70 VAL HA H 1 1.75 . . . . . . . . . . . 6466 1 48 . 1 1 72 72 ARG CA C 13 . 1 1 72 72 ARG HA H 1 1.50 . . . . . . . . . . . 6466 1 49 . 1 1 73 73 LEU CA C 13 . 1 1 73 73 LEU HA H 1 1.93 . . . . . . . . . . . 6466 1 50 . 1 1 74 74 ARG CA C 13 . 1 1 74 74 ARG HA H 1 1.60 . . . . . . . . . . . 6466 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronucl_NOE_list_methyl _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronucl_NOE_list_methyl _Heteronucl_NOE_list.Entry_ID 6466 _Heteronucl_NOE_list.ID 2 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 500 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak integral' _Heteronucl_NOE_list.NOE_ref_val 0 _Heteronucl_NOE_list.NOE_ref_description 'see Dellwo, M. J., Wand, A. J., (1989) J. Am. Chem. Soc. 111, 4571-4578' _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID . . 1 $H2O-D2O . 6466 2 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 3 3 ILE CG2 C 13 . 1 1 3 3 ILE HG2 H 1 2.23 . . . . . . . . . . . 6466 2 2 . 1 1 3 3 ILE CD1 C 13 . 1 1 3 3 ILE HD1 H 1 1.88 . . . . . . . . . . . 6466 2 3 . 1 1 5 5 VAL CG2 C 13 . 1 1 5 5 VAL HG2 H 1 1.83 . . . . . . . . . . . 6466 2 4 . 1 1 7 7 THR CG2 C 13 . 1 1 7 7 THR HG2 H 1 2.60 . . . . . . . . . . . 6466 2 5 . 1 1 8 8 LEU CB C 13 . 1 1 8 8 LEU HB2 H 1 2.61 . . . . . . . . . . . 6466 2 6 . 1 1 8 8 LEU CD1 C 13 . 1 1 8 8 LEU HD1 H 1 2.53 . . . . . . . . . . . 6466 2 7 . 1 1 9 9 THR CG2 C 13 . 1 1 9 9 THR HG2 H 1 2.29 . . . . . . . . . . . 6466 2 8 . 1 1 12 12 THR CG2 C 13 . 1 1 12 12 THR HG2 H 1 2.32 . . . . . . . . . . . 6466 2 9 . 1 1 13 13 ILE CG2 C 13 . 1 1 13 13 ILE HG2 H 1 2.20 . . . . . . . . . . . 6466 2 10 . 1 1 13 13 ILE CD1 C 13 . 1 1 13 13 ILE HD1 H 1 2.16 . . . . . . . . . . . 6466 2 11 . 1 1 14 14 THR CG2 C 13 . 1 1 14 14 THR HG2 H 1 2.52 . . . . . . . . . . . 6466 2 12 . 1 1 15 15 LEU CD1 C 13 . 1 1 15 15 LEU HD1 H 1 1.99 . . . . . . . . . . . 6466 2 13 . 1 1 15 15 LEU CD2 C 13 . 1 1 15 15 LEU HD2 H 1 2.50 . . . . . . . . . . . 6466 2 14 . 1 1 17 17 VAL CG2 C 13 . 1 1 17 17 VAL HG2 H 1 2.39 . . . . . . . . . . . 6466 2 15 . 1 1 22 22 THR CG2 C 13 . 1 1 22 22 THR HG2 H 1 2.19 . . . . . . . . . . . 6466 2 16 . 1 1 23 23 ILE CG2 C 13 . 1 1 23 23 ILE HG2 H 1 2.92 . . . . . . . . . . . 6466 2 17 . 1 1 23 23 ILE CD1 C 13 . 1 1 23 23 ILE HD1 H 1 2.42 . . . . . . . . . . . 6466 2 18 . 1 1 26 26 VAL CG1 C 13 . 1 1 26 26 VAL HG1 H 1 1.93 . . . . . . . . . . . 6466 2 19 . 1 1 26 26 VAL CG2 C 13 . 1 1 26 26 VAL HG2 H 1 2.27 . . . . . . . . . . . 6466 2 20 . 1 1 28 28 ALA CB C 13 . 1 1 28 28 ALA HB H 1 2.17 . . . . . . . . . . . 6466 2 21 . 1 1 30 30 ILE CG2 C 13 . 1 1 30 30 ILE HG2 H 1 2.21 . . . . . . . . . . . 6466 2 22 . 1 1 30 30 ILE CD1 C 13 . 1 1 30 30 ILE HD1 H 1 1.89 . . . . . . . . . . . 6466 2 23 . 1 1 36 36 ILE CG2 C 13 . 1 1 36 36 ILE HG2 H 1 2.55 . . . . . . . . . . . 6466 2 24 . 1 1 36 36 ILE CD1 C 13 . 1 1 36 36 ILE HD1 H 1 1.71 . . . . . . . . . . . 6466 2 25 . 1 1 43 43 LEU CD1 C 13 . 1 1 43 43 LEU HD1 H 1 2.92 . . . . . . . . . . . 6466 2 26 . 1 1 43 43 LEU CD2 C 13 . 1 1 43 43 LEU HD2 H 1 2.22 . . . . . . . . . . . 6466 2 27 . 1 1 44 44 ILE CG2 C 13 . 1 1 44 44 ILE HG2 H 1 2.52 . . . . . . . . . . . 6466 2 28 . 1 1 44 44 ILE CD1 C 13 . 1 1 44 44 ILE HD1 H 1 2.01 . . . . . . . . . . . 6466 2 29 . 1 1 46 46 ALA CB C 13 . 1 1 46 46 ALA HB H 1 2.20 . . . . . . . . . . . 6466 2 30 . 1 1 50 50 LEU CD1 C 13 . 1 1 50 50 LEU HD1 H 1 2.11 . . . . . . . . . . . 6466 2 31 . 1 1 50 50 LEU CD2 C 13 . 1 1 50 50 LEU HD2 H 1 1.95 . . . . . . . . . . . 6466 2 32 . 1 1 55 55 THR CG2 C 13 . 1 1 55 55 THR HG2 H 1 2.28 . . . . . . . . . . . 6466 2 33 . 1 1 56 56 LEU CD1 C 13 . 1 1 56 56 LEU HD1 H 1 2.45 . . . . . . . . . . . 6466 2 34 . 1 1 56 56 LEU CD2 C 13 . 1 1 56 56 LEU HD2 H 1 2.35 . . . . . . . . . . . 6466 2 35 . 1 1 61 61 ILE CG2 C 13 . 1 1 61 61 ILE HG2 H 1 2.15 . . . . . . . . . . . 6466 2 36 . 1 1 61 61 ILE CD1 C 13 . 1 1 61 61 ILE HD1 H 1 2.18 . . . . . . . . . . . 6466 2 37 . 1 1 67 67 LEU CD1 C 13 . 1 1 67 67 LEU HD1 H 1 2.51 . . . . . . . . . . . 6466 2 38 . 1 1 67 67 LEU CD2 C 13 . 1 1 67 67 LEU HD2 H 1 2.59 . . . . . . . . . . . 6466 2 39 . 1 1 69 69 LEU CD1 C 13 . 1 1 69 69 LEU HD1 H 1 2.32 . . . . . . . . . . . 6466 2 40 . 1 1 70 70 VAL CG2 C 13 . 1 1 70 70 VAL HG2 H 1 2.89 . . . . . . . . . . . 6466 2 41 . 1 1 71 71 LEU CD1 C 13 . 1 1 71 71 LEU HD1 H 1 2.74 . . . . . . . . . . . 6466 2 42 . 1 1 73 73 LEU CD1 C 13 . 1 1 73 73 LEU HD1 H 1 2.49 . . . . . . . . . . . 6466 2 43 . 1 1 73 73 LEU CD2 C 13 . 1 1 73 73 LEU HD2 H 1 2.45 . . . . . . . . . . . 6466 2 stop_ save_