############################## # Heteronuclear NOE values # ############################## save_heteronuclear_noe_list_1 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_noe_list_1 _Heteronucl_NOE_list.Entry_ID 11080 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 500 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak integral' _Heteronucl_NOE_list.NOE_ref_val 0.9 _Heteronucl_NOE_list.NOE_ref_description . _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 12 '2D 1H-15N HSQC No.2' 1 $sample_1 isotropic 11080 1 stop_ loop_ _Heteronucl_NOE_software.Software_ID _Heteronucl_NOE_software.Software_label _Heteronucl_NOE_software.Method_ID _Heteronucl_NOE_software.Method_label _Heteronucl_NOE_software.Entry_ID _Heteronucl_NOE_software.Heteronucl_NOE_list_ID 2 $SPARKY . . 11080 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 9 9 LYS H H 1 . 1 1 9 9 LYS N N 15 0.51 0.03 . . . 9 LYS H . 9 LYS N 11080 1 2 . 1 1 10 10 ILE H H 1 . 1 1 10 10 ILE N N 15 0.78 0.07 . . . 10 ILE H . 10 ILE N 11080 1 3 . 1 1 11 11 LYS H H 1 . 1 1 11 11 LYS N N 15 0.84 0.08 . . . 11 LYS H . 11 LYS N 11080 1 4 . 1 1 12 12 CYS H H 1 . 1 1 12 12 CYS N N 15 0.79 0.07 . . . 12 CYS H . 12 CYS N 11080 1 5 . 1 1 13 13 SER H H 1 . 1 1 13 13 SER N N 15 0.64 0.05 . . . 13 SER H . 13 SER N 11080 1 6 . 1 1 14 14 HIS H H 1 . 1 1 14 14 HIS N N 15 0.67 0.05 . . . 14 HIS H . 14 HIS N 11080 1 7 . 1 1 16 16 LEU H H 1 . 1 1 16 16 LEU N N 15 0.72 0.06 . . . 16 LEU H . 16 LEU N 11080 1 8 . 1 1 18 18 LYS H H 1 . 1 1 18 18 LYS N N 15 0.79 0.05 . . . 18 LYS H . 18 LYS N 11080 1 9 . 1 1 19 19 LYS H H 1 . 1 1 19 19 LYS N N 15 0.71 0.04 . . . 19 LYS H . 19 LYS N 11080 1 10 . 1 1 20 20 GLN H H 1 . 1 1 20 20 GLN N N 15 0.74 0.07 . . . 20 GLN H . 20 GLN N 11080 1 11 . 1 1 22 22 GLU H H 1 . 1 1 22 22 GLU N N 15 0.67 0.05 . . . 22 GLU H . 22 GLU N 11080 1 12 . 1 1 23 23 ALA H H 1 . 1 1 23 23 ALA N N 15 0.82 0.06 . . . 23 ALA H . 23 ALA N 11080 1 13 . 1 1 24 24 LEU H H 1 . 1 1 24 24 LEU N N 15 0.65 0.04 . . . 24 LEU H . 24 LEU N 11080 1 14 . 1 1 25 25 ALA H H 1 . 1 1 25 25 ALA N N 15 0.81 0.04 . . . 25 ALA H . 25 ALA N 11080 1 15 . 1 1 26 26 VAL H H 1 . 1 1 26 26 VAL N N 15 0.75 0.04 . . . 26 VAL H . 26 VAL N 11080 1 16 . 1 1 27 27 GLN H H 1 . 1 1 27 27 GLN N N 15 0.74 0.04 . . . 27 GLN H . 27 GLN N 11080 1 17 . 1 1 28 28 GLU H H 1 . 1 1 28 28 GLU N N 15 0.82 0.05 . . . 28 GLU H . 28 GLU N 11080 1 18 . 1 1 29 29 ARG H H 1 . 1 1 29 29 ARG N N 15 0.71 0.04 . . . 29 ARG H . 29 ARG N 11080 1 19 . 1 1 30 30 LEU H H 1 . 1 1 30 30 LEU N N 15 0.78 0.05 . . . 30 LEU H . 30 LEU N 11080 1 20 . 1 1 31 31 LYS H H 1 . 1 1 31 31 LYS N N 15 0.56 0.03 . . . 31 LYS H . 31 LYS N 11080 1 21 . 1 1 32 32 ALA H H 1 . 1 1 32 32 ALA N N 15 0.73 0.04 . . . 32 ALA H . 32 ALA N 11080 1 22 . 1 1 33 33 GLY H H 1 . 1 1 33 33 GLY N N 15 0.85 0.05 . . . 33 GLY H . 33 GLY N 11080 1 23 . 1 1 34 34 GLU H H 1 . 1 1 34 34 GLU N N 15 0.74 0.04 . . . 34 GLU H . 34 GLU N 11080 1 24 . 1 1 35 35 LYS H H 1 . 1 1 35 35 LYS N N 15 0.70 0.05 . . . 35 LYS H . 35 LYS N 11080 1 25 . 1 1 36 36 PHE H H 1 . 1 1 36 36 PHE N N 15 0.83 0.15 . . . 36 PHE H . 36 PHE N 11080 1 26 . 1 1 37 37 GLY H H 1 . 1 1 37 37 GLY N N 15 0.62 0.05 . . . 37 GLY H . 37 GLY N 11080 1 27 . 1 1 38 38 LYS H H 1 . 1 1 38 38 LYS N N 15 0.62 0.04 . . . 38 LYS H . 38 LYS N 11080 1 28 . 1 1 39 39 LEU H H 1 . 1 1 39 39 LEU N N 15 0.81 0.06 . . . 39 LEU H . 39 LEU N 11080 1 29 . 1 1 40 40 ALA H H 1 . 1 1 40 40 ALA N N 15 0.72 0.04 . . . 40 ALA H . 40 ALA N 11080 1 30 . 1 1 41 41 LYS H H 1 . 1 1 41 41 LYS N N 15 0.82 0.05 . . . 41 LYS H . 41 LYS N 11080 1 31 . 1 1 42 42 GLU H H 1 . 1 1 42 42 GLU N N 15 0.70 0.04 . . . 42 GLU H . 42 GLU N 11080 1 32 . 1 1 43 43 LEU H H 1 . 1 1 43 43 LEU N N 15 0.87 0.07 . . . 43 LEU H . 43 LEU N 11080 1 33 . 1 1 45 45 ILE H H 1 . 1 1 45 45 ILE N N 15 0.79 0.08 . . . 45 ILE H . 45 ILE N 11080 1 34 . 1 1 46 46 ASP H H 1 . 1 1 46 46 ASP N N 15 0.77 0.06 . . . 46 ASP H . 46 ASP N 11080 1 35 . 1 1 49 49 SER H H 1 . 1 1 49 49 SER N N 15 0.65 0.07 . . . 49 SER H . 49 SER N 11080 1 36 . 1 1 50 50 ALA H H 1 . 1 1 50 50 ALA N N 15 0.75 0.06 . . . 50 ALA H . 50 ALA N 11080 1 37 . 1 1 51 51 LYS H H 1 . 1 1 51 51 LYS N N 15 0.81 0.07 . . . 51 LYS H . 51 LYS N 11080 1 38 . 1 1 52 52 ARG H H 1 . 1 1 52 52 ARG N N 15 0.76 0.08 . . . 52 ARG H . 52 ARG N 11080 1 39 . 1 1 53 53 ASP H H 1 . 1 1 53 53 ASP N N 15 0.82 0.10 . . . 53 ASP H . 53 ASP N 11080 1 40 . 1 1 54 54 GLY H H 1 . 1 1 54 54 GLY N N 15 0.76 0.06 . . . 54 GLY H . 54 GLY N 11080 1 41 . 1 1 55 55 SER H H 1 . 1 1 55 55 SER N N 15 0.73 0.05 . . . 55 SER H . 55 SER N 11080 1 42 . 1 1 56 56 LEU H H 1 . 1 1 56 56 LEU N N 15 0.68 0.06 . . . 56 LEU H . 56 LEU N 11080 1 43 . 1 1 57 57 GLY H H 1 . 1 1 57 57 GLY N N 15 0.71 0.05 . . . 57 GLY H . 57 GLY N 11080 1 44 . 1 1 58 58 TYR H H 1 . 1 1 58 58 TYR N N 15 0.77 0.06 . . . 58 TYR H . 58 TYR N 11080 1 45 . 1 1 59 59 PHE H H 1 . 1 1 59 59 PHE N N 15 0.75 0.06 . . . 59 PHE H . 59 PHE N 11080 1 46 . 1 1 60 60 GLY H H 1 . 1 1 60 60 GLY N N 15 0.66 0.05 . . . 60 GLY H . 60 GLY N 11080 1 47 . 1 1 61 61 ARG H H 1 . 1 1 61 61 ARG N N 15 0.82 0.05 . . . 61 ARG H . 61 ARG N 11080 1 48 . 1 1 62 62 GLY H H 1 . 1 1 62 62 GLY N N 15 0.72 0.07 . . . 62 GLY H . 62 GLY N 11080 1 49 . 1 1 63 63 LYS H H 1 . 1 1 63 63 LYS N N 15 0.81 0.06 . . . 63 LYS H . 63 LYS N 11080 1 50 . 1 1 66 66 LYS H H 1 . 1 1 66 66 LYS N N 15 0.80 0.09 . . . 66 LYS H . 66 LYS N 11080 1 51 . 1 1 68 68 PHE H H 1 . 1 1 68 68 PHE N N 15 0.86 0.07 . . . 68 PHE H . 68 PHE N 11080 1 52 . 1 1 69 69 GLU H H 1 . 1 1 69 69 GLU N N 15 0.76 0.06 . . . 69 GLU H . 69 GLU N 11080 1 53 . 1 1 70 70 ASP H H 1 . 1 1 70 70 ASP N N 15 0.74 0.05 . . . 70 ASP H . 70 ASP N 11080 1 54 . 1 1 71 71 ALA H H 1 . 1 1 71 71 ALA N N 15 0.77 0.05 . . . 71 ALA H . 71 ALA N 11080 1 55 . 1 1 72 72 ALA H H 1 . 1 1 72 72 ALA N N 15 0.79 0.05 . . . 72 ALA H . 72 ALA N 11080 1 56 . 1 1 74 74 ARG H H 1 . 1 1 74 74 ARG N N 15 0.69 0.04 . . . 74 ARG H . 74 ARG N 11080 1 57 . 1 1 75 75 LEU H H 1 . 1 1 75 75 LEU N N 15 0.69 0.04 . . . 75 LEU H . 75 LEU N 11080 1 58 . 1 1 76 76 GLN H H 1 . 1 1 76 76 GLN N N 15 0.80 0.07 . . . 76 GLN H . 76 GLN N 11080 1 59 . 1 1 81 81 SER H H 1 . 1 1 81 81 SER N N 15 0.90 0.07 . . . 81 SER H . 81 SER N 11080 1 60 . 1 1 82 82 GLU H H 1 . 1 1 82 82 GLU N N 15 0.71 0.05 . . . 82 GLU H . 82 GLU N 11080 1 61 . 1 1 84 84 VAL H H 1 . 1 1 84 84 VAL N N 15 0.79 0.06 . . . 84 VAL H . 84 VAL N 11080 1 62 . 1 1 85 85 LYS H H 1 . 1 1 85 85 LYS N N 15 0.75 0.05 . . . 85 LYS H . 85 LYS N 11080 1 63 . 1 1 86 86 SER H H 1 . 1 1 86 86 SER N N 15 0.85 0.08 . . . 86 SER H . 86 SER N 11080 1 64 . 1 1 87 87 GLU H H 1 . 1 1 87 87 GLU N N 15 0.74 0.12 . . . 87 GLU H . 87 GLU N 11080 1 65 . 1 1 88 88 PHE H H 1 . 1 1 88 88 PHE N N 15 0.69 0.05 . . . 88 PHE H . 88 PHE N 11080 1 66 . 1 1 89 89 GLY H H 1 . 1 1 89 89 GLY N N 15 0.97 0.07 . . . 89 GLY H . 89 GLY N 11080 1 67 . 1 1 90 90 TYR H H 1 . 1 1 90 90 TYR N N 15 0.81 0.07 . . . 90 TYR H . 90 TYR N 11080 1 68 . 1 1 91 91 HIS H H 1 . 1 1 91 91 HIS N N 15 0.71 0.06 . . . 91 HIS H . 91 HIS N 11080 1 69 . 1 1 92 92 VAL H H 1 . 1 1 92 92 VAL N N 15 0.81 0.06 . . . 92 VAL H . 92 VAL N 11080 1 70 . 1 1 93 93 ILE H H 1 . 1 1 93 93 ILE N N 15 0.85 0.08 . . . 93 ILE H . 93 ILE N 11080 1 71 . 1 1 94 94 LYS H H 1 . 1 1 94 94 LYS N N 15 0.70 0.05 . . . 94 LYS H . 94 LYS N 11080 1 72 . 1 1 95 95 ARG H H 1 . 1 1 95 95 ARG N N 15 0.76 0.06 . . . 95 ARG H . 95 ARG N 11080 1 73 . 1 1 96 96 LEU H H 1 . 1 1 96 96 LEU N N 15 0.90 0.10 . . . 96 LEU H . 96 LEU N 11080 1 74 . 1 1 97 97 GLY H H 1 . 1 1 97 97 GLY N N 15 0.72 0.05 . . . 97 GLY H . 97 GLY N 11080 1 stop_ save_