############################## # 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 15923 _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 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val 1 _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 1 IPAP . . . 15923 1 2 HNCOCA . . . 15923 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 2 2 GLU N N 15 . 1 1 2 2 GLU H H 1 0.795 0.007 . . . . . . . . . . 15923 1 2 . 1 1 3 3 LEU N N 15 . 1 1 3 3 LEU H H 1 0.789 0.031 . . . . . . . . . . 15923 1 3 . 1 1 4 4 GLU N N 15 . 1 1 4 4 GLU H H 1 0.804 0.002 . . . . . . . . . . 15923 1 4 . 1 1 5 5 LYS N N 15 . 1 1 5 5 LYS H H 1 0.813 0.035 . . . . . . . . . . 15923 1 5 . 1 1 6 6 ALA N N 15 . 1 1 6 6 ALA H H 1 0.857 0.026 . . . . . . . . . . 15923 1 6 . 1 1 7 7 MET N N 15 . 1 1 7 7 MET H H 1 0.839 0.020 . . . . . . . . . . 15923 1 7 . 1 1 8 8 VAL N N 15 . 1 1 8 8 VAL H H 1 0.834 0.006 . . . . . . . . . . 15923 1 8 . 1 1 9 9 ALA N N 15 . 1 1 9 9 ALA H H 1 0.833 0.012 . . . . . . . . . . 15923 1 9 . 1 1 10 10 LEU N N 15 . 1 1 10 10 LEU H H 1 0.832 0.001 . . . . . . . . . . 15923 1 10 . 1 1 11 11 ILE N N 15 . 1 1 11 11 ILE H H 1 0.799 0.034 . . . . . . . . . . 15923 1 11 . 1 1 12 12 ASP N N 15 . 1 1 12 12 ASP H H 1 0.797 0.010 . . . . . . . . . . 15923 1 12 . 1 1 13 13 VAL N N 15 . 1 1 13 13 VAL H H 1 0.824 0.010 . . . . . . . . . . 15923 1 13 . 1 1 14 14 PHE N N 15 . 1 1 14 14 PHE H H 1 0.786 0.006 . . . . . . . . . . 15923 1 14 . 1 1 15 15 HIS N N 15 . 1 1 15 15 HIS H H 1 0.838 0.042 . . . . . . . . . . 15923 1 15 . 1 1 16 16 GLN N N 15 . 1 1 16 16 GLN H H 1 0.836 0.002 . . . . . . . . . . 15923 1 16 . 1 1 17 17 TYR N N 15 . 1 1 17 17 TYR H H 1 0.825 0.006 . . . . . . . . . . 15923 1 17 . 1 1 18 18 SER N N 15 . 1 1 18 18 SER H H 1 0.833 0.020 . . . . . . . . . . 15923 1 18 . 1 1 19 19 GLY N N 15 . 1 1 19 19 GLY H H 1 0.818 0.034 . . . . . . . . . . 15923 1 19 . 1 1 20 20 ARG N N 15 . 1 1 20 20 ARG H H 1 0.842 0.001 . . . . . . . . . . 15923 1 20 . 1 1 21 21 GLU N N 15 . 1 1 21 21 GLU H H 1 0.819 0.006 . . . . . . . . . . 15923 1 21 . 1 1 25 25 HIS N N 15 . 1 1 25 25 HIS H H 1 0.835 0.037 . . . . . . . . . . 15923 1 22 . 1 1 26 26 LYS N N 15 . 1 1 26 26 LYS H H 1 0.844 0.005 . . . . . . . . . . 15923 1 23 . 1 1 27 27 LEU N N 15 . 1 1 27 27 LEU H H 1 0.839 0.013 . . . . . . . . . . 15923 1 24 . 1 1 28 28 LYS N N 15 . 1 1 28 28 LYS H H 1 0.812 0.009 . . . . . . . . . . 15923 1 25 . 1 1 29 29 LYS N N 15 . 1 1 29 29 LYS H H 1 0.817 0.062 . . . . . . . . . . 15923 1 26 . 1 1 30 30 SER N N 15 . 1 1 30 30 SER H H 1 0.856 0.006 . . . . . . . . . . 15923 1 27 . 1 1 31 31 GLU N N 15 . 1 1 31 31 GLU H H 1 0.811 0.014 . . . . . . . . . . 15923 1 28 . 1 1 32 32 LEU N N 15 . 1 1 32 32 LEU H H 1 0.832 0.014 . . . . . . . . . . 15923 1 29 . 1 1 33 33 LYS N N 15 . 1 1 33 33 LYS H H 1 0.837 0.005 . . . . . . . . . . 15923 1 30 . 1 1 34 34 GLU N N 15 . 1 1 34 34 GLU H H 1 0.798 0.008 . . . . . . . . . . 15923 1 31 . 1 1 35 35 LEU N N 15 . 1 1 35 35 LEU H H 1 0.818 0.018 . . . . . . . . . . 15923 1 32 . 1 1 36 36 ILE N N 15 . 1 1 36 36 ILE H H 1 0.838 0.026 . . . . . . . . . . 15923 1 33 . 1 1 37 37 ASN N N 15 . 1 1 37 37 ASN H H 1 0.820 0.003 . . . . . . . . . . 15923 1 34 . 1 1 38 38 ASN N N 15 . 1 1 38 38 ASN H H 1 0.806 0.018 . . . . . . . . . . 15923 1 35 . 1 1 39 39 GLU N N 15 . 1 1 39 39 GLU H H 1 0.853 0.016 . . . . . . . . . . 15923 1 36 . 1 1 40 40 LEU N N 15 . 1 1 40 40 LEU H H 1 0.837 0.015 . . . . . . . . . . 15923 1 37 . 1 1 41 41 SER N N 15 . 1 1 41 41 SER H H 1 0.822 0.031 . . . . . . . . . . 15923 1 38 . 1 1 42 42 HIS N N 15 . 1 1 42 42 HIS H H 1 0.789 0.068 . . . . . . . . . . 15923 1 39 . 1 1 43 43 PHE N N 15 . 1 1 43 43 PHE H H 1 0.720 0.050 . . . . . . . . . . 15923 1 40 . 1 1 44 44 LEU N N 15 . 1 1 44 44 LEU H H 1 0.757 0.043 . . . . . . . . . . 15923 1 41 . 1 1 45 45 GLU N N 15 . 1 1 45 45 GLU H H 1 0.654 0.043 . . . . . . . . . . 15923 1 42 . 1 1 46 46 GLU N N 15 . 1 1 46 46 GLU H H 1 0.694 0.043 . . . . . . . . . . 15923 1 43 . 1 1 48 48 LYS N N 15 . 1 1 48 48 LYS H H 1 0.741 0.095 . . . . . . . . . . 15923 1 44 . 1 1 49 49 GLU N N 15 . 1 1 49 49 GLU H H 1 0.565 0.035 . . . . . . . . . . 15923 1 45 . 1 1 51 51 GLU N N 15 . 1 1 51 51 GLU H H 1 0.810 0.014 . . . . . . . . . . 15923 1 46 . 1 1 52 52 VAL N N 15 . 1 1 52 52 VAL H H 1 0.765 0.015 . . . . . . . . . . 15923 1 47 . 1 1 53 53 VAL N N 15 . 1 1 53 53 VAL H H 1 0.773 0.023 . . . . . . . . . . 15923 1 48 . 1 1 54 54 ASP N N 15 . 1 1 54 54 ASP H H 1 0.770 0.022 . . . . . . . . . . 15923 1 49 . 1 1 55 55 LYS N N 15 . 1 1 55 55 LYS H H 1 0.788 0.005 . . . . . . . . . . 15923 1 50 . 1 1 56 56 VAL N N 15 . 1 1 56 56 VAL H H 1 0.775 0.009 . . . . . . . . . . 15923 1 51 . 1 1 57 57 MET N N 15 . 1 1 57 57 MET H H 1 0.833 0.016 . . . . . . . . . . 15923 1 52 . 1 1 58 58 GLU N N 15 . 1 1 58 58 GLU H H 1 0.805 0.017 . . . . . . . . . . 15923 1 53 . 1 1 59 59 THR N N 15 . 1 1 59 59 THR H H 1 0.793 0.001 . . . . . . . . . . 15923 1 54 . 1 1 60 60 LEU N N 15 . 1 1 60 60 LEU H H 1 0.788 0.006 . . . . . . . . . . 15923 1 55 . 1 1 61 61 ASP N N 15 . 1 1 61 61 ASP H H 1 0.812 0.014 . . . . . . . . . . 15923 1 56 . 1 1 62 62 GLU N N 15 . 1 1 62 62 GLU H H 1 0.700 0.001 . . . . . . . . . . 15923 1 57 . 1 1 63 63 ASP N N 15 . 1 1 63 63 ASP H H 1 0.796 0.008 . . . . . . . . . . 15923 1 58 . 1 1 64 64 GLY N N 15 . 1 1 64 64 GLY H H 1 0.792 0.001 . . . . . . . . . . 15923 1 59 . 1 1 65 65 ASP N N 15 . 1 1 65 65 ASP H H 1 0.850 0.000 . . . . . . . . . . 15923 1 60 . 1 1 66 66 GLY N N 15 . 1 1 66 66 GLY H H 1 0.813 0.008 . . . . . . . . . . 15923 1 61 . 1 1 67 67 GLU N N 15 . 1 1 67 67 GLU H H 1 0.821 0.011 . . . . . . . . . . 15923 1 62 . 1 1 68 68 CYS N N 15 . 1 1 68 68 CYS H H 1 0.817 0.005 . . . . . . . . . . 15923 1 63 . 1 1 69 69 ASP N N 15 . 1 1 69 69 ASP H H 1 0.840 0.006 . . . . . . . . . . 15923 1 64 . 1 1 70 70 PHE N N 15 . 1 1 70 70 PHE H H 1 0.824 0.024 . . . . . . . . . . 15923 1 65 . 1 1 71 71 GLN N N 15 . 1 1 71 71 GLN H H 1 0.773 0.025 . . . . . . . . . . 15923 1 66 . 1 1 72 72 GLU N N 15 . 1 1 72 72 GLU H H 1 0.704 0.104 . . . . . . . . . . 15923 1 67 . 1 1 73 73 PHE N N 15 . 1 1 73 73 PHE H H 1 0.847 0.030 . . . . . . . . . . 15923 1 68 . 1 1 74 74 MET N N 15 . 1 1 74 74 MET H H 1 0.807 0.004 . . . . . . . . . . 15923 1 69 . 1 1 75 75 ALA N N 15 . 1 1 75 75 ALA H H 1 0.878 0.031 . . . . . . . . . . 15923 1 70 . 1 1 76 76 PHE N N 15 . 1 1 76 76 PHE H H 1 0.851 0.002 . . . . . . . . . . 15923 1 71 . 1 1 77 77 VAL N N 15 . 1 1 77 77 VAL H H 1 0.814 0.017 . . . . . . . . . . 15923 1 72 . 1 1 78 78 SER N N 15 . 1 1 78 78 SER H H 1 0.871 0.023 . . . . . . . . . . 15923 1 73 . 1 1 79 79 MET N N 15 . 1 1 79 79 MET H H 1 0.837 0.015 . . . . . . . . . . 15923 1 74 . 1 1 81 81 THR N N 15 . 1 1 81 81 THR H H 1 0.820 0.060 . . . . . . . . . . 15923 1 75 . 1 1 82 82 THR N N 15 . 1 1 82 82 THR H H 1 0.871 0.080 . . . . . . . . . . 15923 1 76 . 1 1 83 83 ALA N N 15 . 1 1 83 83 ALA H H 1 0.692 0.095 . . . . . . . . . . 15923 1 77 . 1 1 84 84 CYS N N 15 . 1 1 84 84 CYS H H 1 0.813 0.067 . . . . . . . . . . 15923 1 78 . 1 1 85 85 HIS N N 15 . 1 1 85 85 HIS H H 1 0.554 0.032 . . . . . . . . . . 15923 1 79 . 1 1 87 87 PHE N N 15 . 1 1 87 87 PHE H H 1 0.699 0.035 . . . . . . . . . . 15923 1 80 . 1 1 88 88 PHE N N 15 . 1 1 88 88 PHE H H 1 0.679 0.023 . . . . . . . . . . 15923 1 81 . 1 1 89 89 GLU N N 15 . 1 1 89 89 GLU H H 1 0.578 0.007 . . . . . . . . . . 15923 1 82 . 1 1 90 90 HIS N N 15 . 1 1 90 90 HIS H H 1 0.359 0.090 . . . . . . . . . . 15923 1 83 . 1 1 91 91 GLU N N 15 . 1 1 91 91 GLU H H 1 -0.108 0.131 . . . . . . . . . . 15923 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 15923 _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 800 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val 1 _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 1 IPAP . . . 15923 2 2 HNCOCA . . . 15923 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 2 2 GLU N N 15 . 1 1 2 2 GLU H H 1 0.892 0.025 . . . . . . . . . . 15923 2 2 . 1 1 3 3 LEU N N 15 . 1 1 3 3 LEU H H 1 0.738 0.051 . . . . . . . . . . 15923 2 3 . 1 1 4 4 GLU N N 15 . 1 1 4 4 GLU H H 1 0.866 0.022 . . . . . . . . . . 15923 2 4 . 1 1 5 5 LYS N N 15 . 1 1 5 5 LYS H H 1 0.852 0.044 . . . . . . . . . . 15923 2 5 . 1 1 6 6 ALA N N 15 . 1 1 6 6 ALA H H 1 0.850 0.023 . . . . . . . . . . 15923 2 6 . 1 1 7 7 MET N N 15 . 1 1 7 7 MET H H 1 0.903 0.021 . . . . . . . . . . 15923 2 7 . 1 1 9 9 ALA N N 15 . 1 1 9 9 ALA H H 1 0.919 0.041 . . . . . . . . . . 15923 2 8 . 1 1 10 10 LEU N N 15 . 1 1 10 10 LEU H H 1 0.884 0.024 . . . . . . . . . . 15923 2 9 . 1 1 11 11 ILE N N 15 . 1 1 11 11 ILE H H 1 0.924 0.055 . . . . . . . . . . 15923 2 10 . 1 1 12 12 ASP N N 15 . 1 1 12 12 ASP H H 1 0.922 0.089 . . . . . . . . . . 15923 2 11 . 1 1 13 13 VAL N N 15 . 1 1 13 13 VAL H H 1 0.885 0.042 . . . . . . . . . . 15923 2 12 . 1 1 14 14 PHE N N 15 . 1 1 14 14 PHE H H 1 0.875 0.041 . . . . . . . . . . 15923 2 13 . 1 1 15 15 HIS N N 15 . 1 1 15 15 HIS H H 1 0.900 0.050 . . . . . . . . . . 15923 2 14 . 1 1 16 16 GLN N N 15 . 1 1 16 16 GLN H H 1 0.842 0.032 . . . . . . . . . . 15923 2 15 . 1 1 17 17 TYR N N 15 . 1 1 17 17 TYR H H 1 0.790 0.028 . . . . . . . . . . 15923 2 16 . 1 1 18 18 SER N N 15 . 1 1 18 18 SER H H 1 0.803 0.046 . . . . . . . . . . 15923 2 17 . 1 1 19 19 GLY N N 15 . 1 1 19 19 GLY H H 1 0.852 0.023 . . . . . . . . . . 15923 2 18 . 1 1 20 20 ARG N N 15 . 1 1 20 20 ARG H H 1 0.842 0.015 . . . . . . . . . . 15923 2 19 . 1 1 21 21 GLU N N 15 . 1 1 21 21 GLU H H 1 0.837 0.018 . . . . . . . . . . 15923 2 20 . 1 1 25 25 HIS N N 15 . 1 1 25 25 HIS H H 1 0.818 0.049 . . . . . . . . . . 15923 2 21 . 1 1 26 26 LYS N N 15 . 1 1 26 26 LYS H H 1 0.862 0.020 . . . . . . . . . . 15923 2 22 . 1 1 27 27 LEU N N 15 . 1 1 27 27 LEU H H 1 0.859 0.034 . . . . . . . . . . 15923 2 23 . 1 1 28 28 LYS N N 15 . 1 1 28 28 LYS H H 1 0.761 0.046 . . . . . . . . . . 15923 2 24 . 1 1 29 29 LYS N N 15 . 1 1 29 29 LYS H H 1 0.860 0.047 . . . . . . . . . . 15923 2 25 . 1 1 30 30 SER N N 15 . 1 1 30 30 SER H H 1 0.847 0.050 . . . . . . . . . . 15923 2 26 . 1 1 31 31 GLU N N 15 . 1 1 31 31 GLU H H 1 0.881 0.017 . . . . . . . . . . 15923 2 27 . 1 1 32 32 LEU N N 15 . 1 1 32 32 LEU H H 1 0.868 0.018 . . . . . . . . . . 15923 2 28 . 1 1 33 33 LYS N N 15 . 1 1 33 33 LYS H H 1 0.876 0.017 . . . . . . . . . . 15923 2 29 . 1 1 34 34 GLU N N 15 . 1 1 34 34 GLU H H 1 0.881 0.023 . . . . . . . . . . 15923 2 30 . 1 1 35 35 LEU N N 15 . 1 1 35 35 LEU H H 1 0.880 0.020 . . . . . . . . . . 15923 2 31 . 1 1 36 36 ILE N N 15 . 1 1 36 36 ILE H H 1 0.881 0.023 . . . . . . . . . . 15923 2 32 . 1 1 37 37 ASN N N 15 . 1 1 37 37 ASN H H 1 0.875 0.018 . . . . . . . . . . 15923 2 33 . 1 1 38 38 ASN N N 15 . 1 1 38 38 ASN H H 1 0.859 0.019 . . . . . . . . . . 15923 2 34 . 1 1 39 39 GLU N N 15 . 1 1 39 39 GLU H H 1 0.880 0.026 . . . . . . . . . . 15923 2 35 . 1 1 41 41 SER N N 15 . 1 1 41 41 SER H H 1 0.800 0.068 . . . . . . . . . . 15923 2 36 . 1 1 44 44 LEU N N 15 . 1 1 44 44 LEU H H 1 0.833 0.069 . . . . . . . . . . 15923 2 37 . 1 1 45 45 GLU N N 15 . 1 1 45 45 GLU H H 1 0.673 0.076 . . . . . . . . . . 15923 2 38 . 1 1 46 46 GLU N N 15 . 1 1 46 46 GLU H H 1 0.734 0.071 . . . . . . . . . . 15923 2 39 . 1 1 49 49 GLU N N 15 . 1 1 49 49 GLU H H 1 0.516 0.042 . . . . . . . . . . 15923 2 40 . 1 1 51 51 GLU N N 15 . 1 1 51 51 GLU H H 1 0.830 0.042 . . . . . . . . . . 15923 2 41 . 1 1 52 52 VAL N N 15 . 1 1 52 52 VAL H H 1 0.856 0.032 . . . . . . . . . . 15923 2 42 . 1 1 53 53 VAL N N 15 . 1 1 53 53 VAL H H 1 0.846 0.054 . . . . . . . . . . 15923 2 43 . 1 1 54 54 ASP N N 15 . 1 1 54 54 ASP H H 1 0.834 0.023 . . . . . . . . . . 15923 2 44 . 1 1 55 55 LYS N N 15 . 1 1 55 55 LYS H H 1 0.851 0.015 . . . . . . . . . . 15923 2 45 . 1 1 56 56 VAL N N 15 . 1 1 56 56 VAL H H 1 0.776 0.027 . . . . . . . . . . 15923 2 46 . 1 1 57 57 MET N N 15 . 1 1 57 57 MET H H 1 0.856 0.014 . . . . . . . . . . 15923 2 47 . 1 1 58 58 GLU N N 15 . 1 1 58 58 GLU H H 1 0.854 0.020 . . . . . . . . . . 15923 2 48 . 1 1 59 59 THR N N 15 . 1 1 59 59 THR H H 1 0.799 0.018 . . . . . . . . . . 15923 2 49 . 1 1 60 60 LEU N N 15 . 1 1 60 60 LEU H H 1 0.829 0.024 . . . . . . . . . . 15923 2 50 . 1 1 61 61 ASP N N 15 . 1 1 61 61 ASP H H 1 0.816 0.030 . . . . . . . . . . 15923 2 51 . 1 1 62 62 GLU N N 15 . 1 1 62 62 GLU H H 1 0.704 0.030 . . . . . . . . . . 15923 2 52 . 1 1 63 63 ASP N N 15 . 1 1 63 63 ASP H H 1 0.826 0.013 . . . . . . . . . . 15923 2 53 . 1 1 64 64 GLY N N 15 . 1 1 64 64 GLY H H 1 0.847 0.010 . . . . . . . . . . 15923 2 54 . 1 1 65 65 ASP N N 15 . 1 1 65 65 ASP H H 1 0.884 0.010 . . . . . . . . . . 15923 2 55 . 1 1 66 66 GLY N N 15 . 1 1 66 66 GLY H H 1 0.881 0.013 . . . . . . . . . . 15923 2 56 . 1 1 67 67 GLU N N 15 . 1 1 67 67 GLU H H 1 0.855 0.011 . . . . . . . . . . 15923 2 57 . 1 1 68 68 CYS N N 15 . 1 1 68 68 CYS H H 1 0.826 0.028 . . . . . . . . . . 15923 2 58 . 1 1 69 69 ASP N N 15 . 1 1 69 69 ASP H H 1 0.943 0.046 . . . . . . . . . . 15923 2 59 . 1 1 70 70 PHE N N 15 . 1 1 70 70 PHE H H 1 0.879 0.029 . . . . . . . . . . 15923 2 60 . 1 1 71 71 GLN N N 15 . 1 1 71 71 GLN H H 1 0.841 0.022 . . . . . . . . . . 15923 2 61 . 1 1 72 72 GLU N N 15 . 1 1 72 72 GLU H H 1 0.851 0.031 . . . . . . . . . . 15923 2 62 . 1 1 73 73 PHE N N 15 . 1 1 73 73 PHE H H 1 0.842 0.027 . . . . . . . . . . 15923 2 63 . 1 1 74 74 MET N N 15 . 1 1 74 74 MET H H 1 0.875 0.031 . . . . . . . . . . 15923 2 64 . 1 1 75 75 ALA N N 15 . 1 1 75 75 ALA H H 1 0.817 0.041 . . . . . . . . . . 15923 2 65 . 1 1 76 76 PHE N N 15 . 1 1 76 76 PHE H H 1 0.862 0.032 . . . . . . . . . . 15923 2 66 . 1 1 77 77 VAL N N 15 . 1 1 77 77 VAL H H 1 0.882 0.039 . . . . . . . . . . 15923 2 67 . 1 1 79 79 MET N N 15 . 1 1 79 79 MET H H 1 0.841 0.045 . . . . . . . . . . 15923 2 68 . 1 1 83 83 ALA N N 15 . 1 1 83 83 ALA H H 1 0.882 0.068 . . . . . . . . . . 15923 2 69 . 1 1 84 84 CYS N N 15 . 1 1 84 84 CYS H H 1 0.810 0.103 . . . . . . . . . . 15923 2 70 . 1 1 87 87 PHE N N 15 . 1 1 87 87 PHE H H 1 0.639 0.103 . . . . . . . . . . 15923 2 71 . 1 1 88 88 PHE N N 15 . 1 1 88 88 PHE H H 1 0.707 0.058 . . . . . . . . . . 15923 2 72 . 1 1 89 89 GLU N N 15 . 1 1 89 89 GLU H H 1 0.626 0.060 . . . . . . . . . . 15923 2 73 . 1 1 90 90 HIS N N 15 . 1 1 90 90 HIS H H 1 0.446 0.120 . . . . . . . . . . 15923 2 74 . 1 1 91 91 GLU N N 15 . 1 1 91 91 GLU H H 1 0.198 0.037 . . . . . . . . . . 15923 2 stop_ save_