############################## # 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 27011 _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 600 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak height' _Heteronucl_NOE_list.NOE_ref_val 0 _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 3 '2D NOE 15N,1H correlation' . . . 27011 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 3 3 LYS N N 15 . 1 1 3 3 LYS H H 1 -0.972 0.010 . . . . . . . . . . 27011 1 2 . 1 1 4 4 GLN N N 15 . 1 1 4 4 GLN H H 1 -0.656 0.014 . . . . . . . . . . 27011 1 3 . 1 1 5 5 THR N N 15 . 1 1 5 5 THR H H 1 -0.334 0.026 . . . . . . . . . . 27011 1 4 . 1 1 6 6 HIS N N 15 . 1 1 6 6 HIS H H 1 -0.236 0.101 . . . . . . . . . . 27011 1 5 . 1 1 9 9 GLU N N 15 . 1 1 9 9 GLU H H 1 0.103 0.070 . . . . . . . . . . 27011 1 6 . 1 1 11 11 THR N N 15 . 1 1 11 11 THR H H 1 0.689 0.029 . . . . . . . . . . 27011 1 7 . 1 1 12 12 PHE N N 15 . 1 1 12 12 PHE H H 1 0.720 0.025 . . . . . . . . . . 27011 1 8 . 1 1 13 13 ASP N N 15 . 1 1 13 13 ASP H H 1 0.719 0.024 . . . . . . . . . . 27011 1 9 . 1 1 14 14 GLN N N 15 . 1 1 14 14 GLN H H 1 0.784 0.025 . . . . . . . . . . 27011 1 10 . 1 1 15 15 VAL N N 15 . 1 1 15 15 VAL H H 1 0.702 0.020 . . . . . . . . . . 27011 1 11 . 1 1 16 16 LYS N N 15 . 1 1 16 16 LYS H H 1 0.739 0.028 . . . . . . . . . . 27011 1 12 . 1 1 17 17 GLU N N 15 . 1 1 17 17 GLU H H 1 0.731 0.021 . . . . . . . . . . 27011 1 13 . 1 1 18 18 GLN N N 15 . 1 1 18 18 GLN H H 1 0.717 0.023 . . . . . . . . . . 27011 1 14 . 1 1 19 19 LEU N N 15 . 1 1 19 19 LEU H H 1 0.696 0.022 . . . . . . . . . . 27011 1 15 . 1 1 20 20 THR N N 15 . 1 1 20 20 THR H H 1 0.702 0.042 . . . . . . . . . . 27011 1 16 . 1 1 21 21 GLU N N 15 . 1 1 21 21 GLU H H 1 0.706 0.027 . . . . . . . . . . 27011 1 17 . 1 1 23 23 GLY N N 15 . 1 1 23 23 GLY H H 1 0.844 0.033 . . . . . . . . . . 27011 1 18 . 1 1 24 24 LYS N N 15 . 1 1 24 24 LYS H H 1 0.840 0.028 . . . . . . . . . . 27011 1 19 . 1 1 25 25 LYS N N 15 . 1 1 25 25 LYS H H 1 0.681 0.033 . . . . . . . . . . 27011 1 20 . 1 1 26 26 ARG N N 15 . 1 1 26 26 ARG H H 1 0.668 0.042 . . . . . . . . . . 27011 1 21 . 1 1 27 27 GLY N N 15 . 1 1 27 27 GLY H H 1 0.694 0.027 . . . . . . . . . . 27011 1 22 . 1 1 28 28 VAL N N 15 . 1 1 28 28 VAL H H 1 0.736 0.035 . . . . . . . . . . 27011 1 23 . 1 1 29 29 LEU N N 15 . 1 1 29 29 LEU H H 1 0.721 0.027 . . . . . . . . . . 27011 1 24 . 1 1 30 30 THR N N 15 . 1 1 30 30 THR H H 1 0.778 0.047 . . . . . . . . . . 27011 1 25 . 1 1 32 32 GLU N N 15 . 1 1 32 32 GLU H H 1 0.778 0.046 . . . . . . . . . . 27011 1 26 . 1 1 33 33 GLU N N 15 . 1 1 33 33 GLU H H 1 0.754 0.034 . . . . . . . . . . 27011 1 27 . 1 1 34 34 ILE N N 15 . 1 1 34 34 ILE H H 1 0.738 0.030 . . . . . . . . . . 27011 1 28 . 1 1 35 35 ALA N N 15 . 1 1 35 35 ALA H H 1 0.775 0.027 . . . . . . . . . . 27011 1 29 . 1 1 36 36 GLU N N 15 . 1 1 36 36 GLU H H 1 0.732 0.018 . . . . . . . . . . 27011 1 30 . 1 1 37 37 ARG N N 15 . 1 1 37 37 ARG H H 1 0.714 0.024 . . . . . . . . . . 27011 1 31 . 1 1 38 38 MET N N 15 . 1 1 38 38 MET H H 1 0.633 0.036 . . . . . . . . . . 27011 1 32 . 1 1 39 39 SER N N 15 . 1 1 39 39 SER H H 1 0.691 0.021 . . . . . . . . . . 27011 1 33 . 1 1 40 40 SER N N 15 . 1 1 40 40 SER H H 1 0.701 0.018 . . . . . . . . . . 27011 1 34 . 1 1 41 41 PHE N N 15 . 1 1 41 41 PHE H H 1 0.709 0.023 . . . . . . . . . . 27011 1 35 . 1 1 42 42 GLU N N 15 . 1 1 42 42 GLU H H 1 0.655 0.023 . . . . . . . . . . 27011 1 36 . 1 1 43 43 ILE N N 15 . 1 1 43 43 ILE H H 1 0.515 0.025 . . . . . . . . . . 27011 1 37 . 1 1 44 44 GLU N N 15 . 1 1 44 44 GLU H H 1 0.493 0.027 . . . . . . . . . . 27011 1 38 . 1 1 45 45 SER N N 15 . 1 1 45 45 SER H H 1 0.640 0.034 . . . . . . . . . . 27011 1 39 . 1 1 46 46 ASP N N 15 . 1 1 46 46 ASP H H 1 0.648 0.022 . . . . . . . . . . 27011 1 40 . 1 1 47 47 GLN N N 15 . 1 1 47 47 GLN H H 1 0.697 0.027 . . . . . . . . . . 27011 1 41 . 1 1 48 48 MET N N 15 . 1 1 48 48 MET H H 1 0.738 0.025 . . . . . . . . . . 27011 1 42 . 1 1 49 49 ASP N N 15 . 1 1 49 49 ASP H H 1 0.665 0.018 . . . . . . . . . . 27011 1 43 . 1 1 50 50 GLU N N 15 . 1 1 50 50 GLU H H 1 0.718 0.021 . . . . . . . . . . 27011 1 44 . 1 1 51 51 TYR N N 15 . 1 1 51 51 TYR H H 1 0.732 0.024 . . . . . . . . . . 27011 1 45 . 1 1 52 52 TYR N N 15 . 1 1 52 52 TYR H H 1 0.699 0.033 . . . . . . . . . . 27011 1 46 . 1 1 53 53 GLU N N 15 . 1 1 53 53 GLU H H 1 0.809 0.019 . . . . . . . . . . 27011 1 47 . 1 1 55 55 LEU N N 15 . 1 1 55 55 LEU H H 1 0.814 0.032 . . . . . . . . . . 27011 1 48 . 1 1 56 56 GLY N N 15 . 1 1 56 56 GLY H H 1 0.861 0.025 . . . . . . . . . . 27011 1 49 . 1 1 57 57 GLU N N 15 . 1 1 57 57 GLU H H 1 0.756 0.024 . . . . . . . . . . 27011 1 50 . 1 1 58 58 GLN N N 15 . 1 1 58 58 GLN H H 1 0.746 0.044 . . . . . . . . . . 27011 1 51 . 1 1 59 59 GLY N N 15 . 1 1 59 59 GLY H H 1 0.745 0.036 . . . . . . . . . . 27011 1 52 . 1 1 60 60 VAL N N 15 . 1 1 60 60 VAL H H 1 0.736 0.026 . . . . . . . . . . 27011 1 53 . 1 1 61 61 GLU N N 15 . 1 1 61 61 GLU H H 1 0.736 0.045 . . . . . . . . . . 27011 1 54 . 1 1 62 62 LEU N N 15 . 1 1 62 62 LEU H H 1 0.700 0.029 . . . . . . . . . . 27011 1 55 . 1 1 63 63 ILE N N 15 . 1 1 63 63 ILE H H 1 0.729 0.052 . . . . . . . . . . 27011 1 56 . 1 1 64 64 SER N N 15 . 1 1 64 64 SER H H 1 0.684 0.037 . . . . . . . . . . 27011 1 57 . 1 1 65 65 GLU N N 15 . 1 1 65 65 GLU H H 1 0.678 0.065 . . . . . . . . . . 27011 1 58 . 1 1 66 66 ASN N N 15 . 1 1 66 66 ASN H H 1 0.510 0.022 . . . . . . . . . . 27011 1 59 . 1 1 67 67 GLU N N 15 . 1 1 67 67 GLU H H 1 0.319 0.028 . . . . . . . . . . 27011 1 60 . 1 1 68 68 GLU N N 15 . 1 1 68 68 GLU H H 1 0.257 0.030 . . . . . . . . . . 27011 1 61 . 1 1 69 69 THR N N 15 . 1 1 69 69 THR H H 1 0.183 0.045 . . . . . . . . . . 27011 1 62 . 1 1 70 70 GLU N N 15 . 1 1 70 70 GLU H H 1 0.209 0.035 . . . . . . . . . . 27011 1 63 . 1 1 71 71 ASP N N 15 . 1 1 71 71 ASP H H 1 0.203 0.035 . . . . . . . . . . 27011 1 64 . 1 1 72 72 LEU N N 15 . 1 1 72 72 LEU H H 1 0.191 0.037 . . . . . . . . . . 27011 1 65 . 1 1 73 73 GLU N N 15 . 1 1 73 73 GLU H H 1 0.251 0.028 . . . . . . . . . . 27011 1 66 . 1 1 74 74 HIS N N 15 . 1 1 74 74 HIS H H 1 0.312 0.037 . . . . . . . . . . 27011 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_noe_list_2 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_noe_list_2 _Heteronucl_NOE_list.Entry_ID 27011 _Heteronucl_NOE_list.ID 2 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 850 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak height' _Heteronucl_NOE_list.NOE_ref_val 0 _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 3 '2D NOE 15N,1H correlation' . . . 27011 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 LYS N N 15 . 1 1 3 3 LYS H H 1 -0.295 0.017 . . . . . . . . . . 27011 2 2 . 1 1 5 5 THR N N 15 . 1 1 5 5 THR H H 1 0.140 0.040 . . . . . . . . . . 27011 2 3 . 1 1 6 6 HIS N N 15 . 1 1 6 6 HIS H H 1 0.201 0.088 . . . . . . . . . . 27011 2 4 . 1 1 7 7 GLU N N 15 . 1 1 7 7 GLU H H 1 0.310 0.027 . . . . . . . . . . 27011 2 5 . 1 1 8 8 THR N N 15 . 1 1 8 8 THR H H 1 0.311 0.017 . . . . . . . . . . 27011 2 6 . 1 1 9 9 GLU N N 15 . 1 1 9 9 GLU H H 1 0.372 0.016 . . . . . . . . . . 27011 2 7 . 1 1 10 10 LEU N N 15 . 1 1 10 10 LEU H H 1 0.518 0.012 . . . . . . . . . . 27011 2 8 . 1 1 11 11 THR N N 15 . 1 1 11 11 THR H H 1 0.686 0.023 . . . . . . . . . . 27011 2 9 . 1 1 12 12 PHE N N 15 . 1 1 12 12 PHE H H 1 0.841 0.023 . . . . . . . . . . 27011 2 10 . 1 1 13 13 ASP N N 15 . 1 1 13 13 ASP H H 1 0.788 0.021 . . . . . . . . . . 27011 2 11 . 1 1 14 14 GLN N N 15 . 1 1 14 14 GLN H H 1 0.828 0.020 . . . . . . . . . . 27011 2 12 . 1 1 15 15 VAL N N 15 . 1 1 15 15 VAL H H 1 0.825 0.016 . . . . . . . . . . 27011 2 13 . 1 1 16 16 LYS N N 15 . 1 1 16 16 LYS H H 1 0.822 0.022 . . . . . . . . . . 27011 2 14 . 1 1 17 17 GLU N N 15 . 1 1 17 17 GLU H H 1 0.798 0.020 . . . . . . . . . . 27011 2 15 . 1 1 18 18 GLN N N 15 . 1 1 18 18 GLN H H 1 0.795 0.019 . . . . . . . . . . 27011 2 16 . 1 1 19 19 LEU N N 15 . 1 1 19 19 LEU H H 1 0.807 0.017 . . . . . . . . . . 27011 2 17 . 1 1 20 20 THR N N 15 . 1 1 20 20 THR H H 1 0.835 0.039 . . . . . . . . . . 27011 2 18 . 1 1 21 21 GLU N N 15 . 1 1 21 21 GLU H H 1 0.848 0.023 . . . . . . . . . . 27011 2 19 . 1 1 22 22 SER N N 15 . 1 1 22 22 SER H H 1 0.816 0.014 . . . . . . . . . . 27011 2 20 . 1 1 23 23 GLY N N 15 . 1 1 23 23 GLY H H 1 0.764 0.033 . . . . . . . . . . 27011 2 21 . 1 1 24 24 LYS N N 15 . 1 1 24 24 LYS H H 1 0.840 0.026 . . . . . . . . . . 27011 2 22 . 1 1 25 25 LYS N N 15 . 1 1 25 25 LYS H H 1 0.807 0.028 . . . . . . . . . . 27011 2 23 . 1 1 26 26 ARG N N 15 . 1 1 26 26 ARG H H 1 0.764 0.034 . . . . . . . . . . 27011 2 24 . 1 1 27 27 GLY N N 15 . 1 1 27 27 GLY H H 1 0.789 0.020 . . . . . . . . . . 27011 2 25 . 1 1 28 28 VAL N N 15 . 1 1 28 28 VAL H H 1 0.778 0.030 . . . . . . . . . . 27011 2 26 . 1 1 29 29 LEU N N 15 . 1 1 29 29 LEU H H 1 0.785 0.021 . . . . . . . . . . 27011 2 27 . 1 1 30 30 THR N N 15 . 1 1 30 30 THR H H 1 0.790 0.045 . . . . . . . . . . 27011 2 28 . 1 1 32 32 GLU N N 15 . 1 1 32 32 GLU H H 1 0.778 0.040 . . . . . . . . . . 27011 2 29 . 1 1 33 33 GLU N N 15 . 1 1 33 33 GLU H H 1 0.775 0.031 . . . . . . . . . . 27011 2 30 . 1 1 34 34 ILE N N 15 . 1 1 34 34 ILE H H 1 0.774 0.024 . . . . . . . . . . 27011 2 31 . 1 1 35 35 ALA N N 15 . 1 1 35 35 ALA H H 1 0.848 0.024 . . . . . . . . . . 27011 2 32 . 1 1 36 36 GLU N N 15 . 1 1 36 36 GLU H H 1 0.797 0.015 . . . . . . . . . . 27011 2 33 . 1 1 37 37 ARG N N 15 . 1 1 37 37 ARG H H 1 0.760 0.017 . . . . . . . . . . 27011 2 34 . 1 1 38 38 MET N N 15 . 1 1 38 38 MET H H 1 0.730 0.027 . . . . . . . . . . 27011 2 35 . 1 1 39 39 SER N N 15 . 1 1 39 39 SER H H 1 0.819 0.018 . . . . . . . . . . 27011 2 36 . 1 1 40 40 SER N N 15 . 1 1 40 40 SER H H 1 0.743 0.015 . . . . . . . . . . 27011 2 37 . 1 1 41 41 PHE N N 15 . 1 1 41 41 PHE H H 1 0.780 0.018 . . . . . . . . . . 27011 2 38 . 1 1 42 42 GLU N N 15 . 1 1 42 42 GLU H H 1 0.734 0.017 . . . . . . . . . . 27011 2 39 . 1 1 43 43 ILE N N 15 . 1 1 43 43 ILE H H 1 0.613 0.018 . . . . . . . . . . 27011 2 40 . 1 1 44 44 GLU N N 15 . 1 1 44 44 GLU H H 1 0.621 0.019 . . . . . . . . . . 27011 2 41 . 1 1 45 45 SER N N 15 . 1 1 45 45 SER H H 1 0.701 0.032 . . . . . . . . . . 27011 2 42 . 1 1 46 46 ASP N N 15 . 1 1 46 46 ASP H H 1 0.722 0.019 . . . . . . . . . . 27011 2 43 . 1 1 47 47 GLN N N 15 . 1 1 47 47 GLN H H 1 0.720 0.024 . . . . . . . . . . 27011 2 44 . 1 1 48 48 MET N N 15 . 1 1 48 48 MET H H 1 0.745 0.022 . . . . . . . . . . 27011 2 45 . 1 1 49 49 ASP N N 15 . 1 1 49 49 ASP H H 1 0.789 0.014 . . . . . . . . . . 27011 2 46 . 1 1 50 50 GLU N N 15 . 1 1 50 50 GLU H H 1 0.779 0.021 . . . . . . . . . . 27011 2 47 . 1 1 51 51 TYR N N 15 . 1 1 51 51 TYR H H 1 0.822 0.021 . . . . . . . . . . 27011 2 48 . 1 1 52 52 TYR N N 15 . 1 1 52 52 TYR H H 1 0.799 0.033 . . . . . . . . . . 27011 2 49 . 1 1 53 53 GLU N N 15 . 1 1 53 53 GLU H H 1 0.801 0.014 . . . . . . . . . . 27011 2 50 . 1 1 55 55 LEU N N 15 . 1 1 55 55 LEU H H 1 0.846 0.031 . . . . . . . . . . 27011 2 51 . 1 1 56 56 GLY N N 15 . 1 1 56 56 GLY H H 1 0.803 0.020 . . . . . . . . . . 27011 2 52 . 1 1 57 57 GLU N N 15 . 1 1 57 57 GLU H H 1 0.824 0.022 . . . . . . . . . . 27011 2 53 . 1 1 58 58 GLN N N 15 . 1 1 58 58 GLN H H 1 0.818 0.040 . . . . . . . . . . 27011 2 54 . 1 1 59 59 GLY N N 15 . 1 1 59 59 GLY H H 1 0.825 0.032 . . . . . . . . . . 27011 2 55 . 1 1 60 60 VAL N N 15 . 1 1 60 60 VAL H H 1 0.805 0.021 . . . . . . . . . . 27011 2 56 . 1 1 61 61 GLU N N 15 . 1 1 61 61 GLU H H 1 0.813 0.040 . . . . . . . . . . 27011 2 57 . 1 1 62 62 LEU N N 15 . 1 1 62 62 LEU H H 1 0.805 0.024 . . . . . . . . . . 27011 2 58 . 1 1 63 63 ILE N N 15 . 1 1 63 63 ILE H H 1 0.789 0.043 . . . . . . . . . . 27011 2 59 . 1 1 64 64 SER N N 15 . 1 1 64 64 SER H H 1 0.747 0.031 . . . . . . . . . . 27011 2 60 . 1 1 65 65 GLU N N 15 . 1 1 65 65 GLU H H 1 0.803 0.060 . . . . . . . . . . 27011 2 61 . 1 1 66 66 ASN N N 15 . 1 1 66 66 ASN H H 1 0.603 0.014 . . . . . . . . . . 27011 2 62 . 1 1 67 67 GLU N N 15 . 1 1 67 67 GLU H H 1 0.525 0.016 . . . . . . . . . . 27011 2 63 . 1 1 68 68 GLU N N 15 . 1 1 68 68 GLU H H 1 0.428 0.014 . . . . . . . . . . 27011 2 64 . 1 1 69 69 THR N N 15 . 1 1 69 69 THR H H 1 0.418 0.015 . . . . . . . . . . 27011 2 65 . 1 1 70 70 GLU N N 15 . 1 1 70 70 GLU H H 1 0.465 0.013 . . . . . . . . . . 27011 2 66 . 1 1 71 71 ASP N N 15 . 1 1 71 71 ASP H H 1 0.462 0.013 . . . . . . . . . . 27011 2 67 . 1 1 72 72 LEU N N 15 . 1 1 72 72 LEU H H 1 0.441 0.013 . . . . . . . . . . 27011 2 68 . 1 1 73 73 GLU N N 15 . 1 1 73 73 GLU H H 1 0.480 0.012 . . . . . . . . . . 27011 2 69 . 1 1 74 74 HIS N N 15 . 1 1 74 74 HIS H H 1 0.509 0.020 . . . . . . . . . . 27011 2 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_noe_list_3 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_noe_list_3 _Heteronucl_NOE_list.Entry_ID 27011 _Heteronucl_NOE_list.ID 3 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 950 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak height' _Heteronucl_NOE_list.NOE_ref_val 0 _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 3 '2D NOE 15N,1H correlation' . . . 27011 3 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 LYS N N 15 . 1 1 3 3 LYS H H 1 -0.046 0.085 . . . . . . . . . . 27011 3 2 . 1 1 4 4 GLN N N 15 . 1 1 4 4 GLN H H 1 0.133 0.034 . . . . . . . . . . 27011 3 3 . 1 1 5 5 THR N N 15 . 1 1 5 5 THR H H 1 0.293 0.017 . . . . . . . . . . 27011 3 4 . 1 1 6 6 HIS N N 15 . 1 1 6 6 HIS H H 1 0.330 0.042 . . . . . . . . . . 27011 3 5 . 1 1 7 7 GLU N N 15 . 1 1 7 7 GLU H H 1 0.411 0.016 . . . . . . . . . . 27011 3 6 . 1 1 8 8 THR N N 15 . 1 1 8 8 THR H H 1 0.413 0.012 . . . . . . . . . . 27011 3 7 . 1 1 9 9 GLU N N 15 . 1 1 9 9 GLU H H 1 0.448 0.011 . . . . . . . . . . 27011 3 8 . 1 1 11 11 THR N N 15 . 1 1 11 11 THR H H 1 0.738 0.018 . . . . . . . . . . 27011 3 9 . 1 1 12 12 PHE N N 15 . 1 1 12 12 PHE H H 1 0.840 0.017 . . . . . . . . . . 27011 3 10 . 1 1 13 13 ASP N N 15 . 1 1 13 13 ASP H H 1 0.809 0.016 . . . . . . . . . . 27011 3 11 . 1 1 14 14 GLN N N 15 . 1 1 14 14 GLN H H 1 0.791 0.016 . . . . . . . . . . 27011 3 12 . 1 1 15 15 VAL N N 15 . 1 1 15 15 VAL H H 1 0.815 0.013 . . . . . . . . . . 27011 3 13 . 1 1 16 16 LYS N N 15 . 1 1 16 16 LYS H H 1 0.838 0.018 . . . . . . . . . . 27011 3 14 . 1 1 17 17 GLU N N 15 . 1 1 17 17 GLU H H 1 0.803 0.014 . . . . . . . . . . 27011 3 15 . 1 1 18 18 GLN N N 15 . 1 1 18 18 GLN H H 1 0.805 0.015 . . . . . . . . . . 27011 3 16 . 1 1 19 19 LEU N N 15 . 1 1 19 19 LEU H H 1 0.833 0.014 . . . . . . . . . . 27011 3 17 . 1 1 20 20 THR N N 15 . 1 1 20 20 THR H H 1 0.822 0.027 . . . . . . . . . . 27011 3 18 . 1 1 21 21 GLU N N 15 . 1 1 21 21 GLU H H 1 0.845 0.018 . . . . . . . . . . 27011 3 19 . 1 1 22 22 SER N N 15 . 1 1 22 22 SER H H 1 0.808 0.011 . . . . . . . . . . 27011 3 20 . 1 1 23 23 GLY N N 15 . 1 1 23 23 GLY H H 1 0.866 0.027 . . . . . . . . . . 27011 3 21 . 1 1 24 24 LYS N N 15 . 1 1 24 24 LYS H H 1 0.859 0.019 . . . . . . . . . . 27011 3 22 . 1 1 25 25 LYS N N 15 . 1 1 25 25 LYS H H 1 0.867 0.021 . . . . . . . . . . 27011 3 23 . 1 1 26 26 ARG N N 15 . 1 1 26 26 ARG H H 1 0.828 0.025 . . . . . . . . . . 27011 3 24 . 1 1 27 27 GLY N N 15 . 1 1 27 27 GLY H H 1 0.786 0.016 . . . . . . . . . . 27011 3 25 . 1 1 28 28 VAL N N 15 . 1 1 28 28 VAL H H 1 0.836 0.021 . . . . . . . . . . 27011 3 26 . 1 1 29 29 LEU N N 15 . 1 1 29 29 LEU H H 1 0.804 0.017 . . . . . . . . . . 27011 3 27 . 1 1 30 30 THR N N 15 . 1 1 30 30 THR H H 1 0.790 0.037 . . . . . . . . . . 27011 3 28 . 1 1 32 32 GLU N N 15 . 1 1 32 32 GLU H H 1 0.753 0.031 . . . . . . . . . . 27011 3 29 . 1 1 33 33 GLU N N 15 . 1 1 33 33 GLU H H 1 0.781 0.024 . . . . . . . . . . 27011 3 30 . 1 1 34 34 ILE N N 15 . 1 1 34 34 ILE H H 1 0.845 0.018 . . . . . . . . . . 27011 3 31 . 1 1 35 35 ALA N N 15 . 1 1 35 35 ALA H H 1 0.810 0.019 . . . . . . . . . . 27011 3 32 . 1 1 36 36 GLU N N 15 . 1 1 36 36 GLU H H 1 0.833 0.012 . . . . . . . . . . 27011 3 33 . 1 1 37 37 ARG N N 15 . 1 1 37 37 ARG H H 1 0.806 0.015 . . . . . . . . . . 27011 3 34 . 1 1 38 38 MET N N 15 . 1 1 38 38 MET H H 1 0.733 0.021 . . . . . . . . . . 27011 3 35 . 1 1 39 39 SER N N 15 . 1 1 39 39 SER H H 1 0.779 0.014 . . . . . . . . . . 27011 3 36 . 1 1 40 40 SER N N 15 . 1 1 40 40 SER H H 1 0.784 0.011 . . . . . . . . . . 27011 3 37 . 1 1 41 41 PHE N N 15 . 1 1 41 41 PHE H H 1 0.773 0.014 . . . . . . . . . . 27011 3 38 . 1 1 42 42 GLU N N 15 . 1 1 42 42 GLU H H 1 0.740 0.013 . . . . . . . . . . 27011 3 39 . 1 1 43 43 ILE N N 15 . 1 1 43 43 ILE H H 1 0.632 0.013 . . . . . . . . . . 27011 3 40 . 1 1 44 44 GLU N N 15 . 1 1 44 44 GLU H H 1 0.617 0.014 . . . . . . . . . . 27011 3 41 . 1 1 45 45 SER N N 15 . 1 1 45 45 SER H H 1 0.780 0.021 . . . . . . . . . . 27011 3 42 . 1 1 46 46 ASP N N 15 . 1 1 46 46 ASP H H 1 0.758 0.015 . . . . . . . . . . 27011 3 43 . 1 1 47 47 GLN N N 15 . 1 1 47 47 GLN H H 1 0.768 0.017 . . . . . . . . . . 27011 3 44 . 1 1 48 48 MET N N 15 . 1 1 48 48 MET H H 1 0.792 0.015 . . . . . . . . . . 27011 3 45 . 1 1 49 49 ASP N N 15 . 1 1 49 49 ASP H H 1 0.831 0.012 . . . . . . . . . . 27011 3 46 . 1 1 50 50 GLU N N 15 . 1 1 50 50 GLU H H 1 0.827 0.017 . . . . . . . . . . 27011 3 47 . 1 1 51 51 TYR N N 15 . 1 1 51 51 TYR H H 1 0.837 0.016 . . . . . . . . . . 27011 3 48 . 1 1 52 52 TYR N N 15 . 1 1 52 52 TYR H H 1 0.910 0.021 . . . . . . . . . . 27011 3 49 . 1 1 53 53 GLU N N 15 . 1 1 53 53 GLU H H 1 0.845 0.011 . . . . . . . . . . 27011 3 50 . 1 1 55 55 LEU N N 15 . 1 1 55 55 LEU H H 1 0.867 0.021 . . . . . . . . . . 27011 3 51 . 1 1 56 56 GLY N N 15 . 1 1 56 56 GLY H H 1 0.816 0.016 . . . . . . . . . . 27011 3 52 . 1 1 57 57 GLU N N 15 . 1 1 57 57 GLU H H 1 0.834 0.017 . . . . . . . . . . 27011 3 53 . 1 1 58 58 GLN N N 15 . 1 1 58 58 GLN H H 1 0.754 0.029 . . . . . . . . . . 27011 3 54 . 1 1 59 59 GLY N N 15 . 1 1 59 59 GLY H H 1 0.839 0.025 . . . . . . . . . . 27011 3 55 . 1 1 60 60 VAL N N 15 . 1 1 60 60 VAL H H 1 0.837 0.014 . . . . . . . . . . 27011 3 56 . 1 1 61 61 GLU N N 15 . 1 1 61 61 GLU H H 1 0.768 0.030 . . . . . . . . . . 27011 3 57 . 1 1 62 62 LEU N N 15 . 1 1 62 62 LEU H H 1 0.779 0.017 . . . . . . . . . . 27011 3 58 . 1 1 63 63 ILE N N 15 . 1 1 63 63 ILE H H 1 0.825 0.030 . . . . . . . . . . 27011 3 59 . 1 1 64 64 SER N N 15 . 1 1 64 64 SER H H 1 0.739 0.023 . . . . . . . . . . 27011 3 60 . 1 1 65 65 GLU N N 15 . 1 1 65 65 GLU H H 1 0.848 0.043 . . . . . . . . . . 27011 3 61 . 1 1 66 66 ASN N N 15 . 1 1 66 66 ASN H H 1 0.631 0.011 . . . . . . . . . . 27011 3 62 . 1 1 67 67 GLU N N 15 . 1 1 67 67 GLU H H 1 0.562 0.013 . . . . . . . . . . 27011 3 63 . 1 1 68 68 GLU N N 15 . 1 1 68 68 GLU H H 1 0.558 0.011 . . . . . . . . . . 27011 3 64 . 1 1 69 69 THR N N 15 . 1 1 69 69 THR H H 1 0.478 0.011 . . . . . . . . . . 27011 3 65 . 1 1 70 70 GLU N N 15 . 1 1 70 70 GLU H H 1 0.524 0.010 . . . . . . . . . . 27011 3 66 . 1 1 71 71 ASP N N 15 . 1 1 71 71 ASP H H 1 0.519 0.009 . . . . . . . . . . 27011 3 67 . 1 1 72 72 LEU N N 15 . 1 1 72 72 LEU H H 1 0.520 0.010 . . . . . . . . . . 27011 3 68 . 1 1 73 73 GLU N N 15 . 1 1 73 73 GLU H H 1 0.555 0.009 . . . . . . . . . . 27011 3 69 . 1 1 74 74 HIS N N 15 . 1 1 74 74 HIS H H 1 0.594 0.012 . . . . . . . . . . 27011 3 stop_ save_