############################## # Heteronuclear NOE values # ############################## save_heteronucl_NOEs_1 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronucl_NOEs_1 _Heteronucl_NOE_list.Entry_ID 51174 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Name Ub_600_NOE _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 '1H-15N heteronoe' . . . 51174 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 1 $software_1 . . 51174 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 GLN N N 15 . 1 1 2 2 GLN H H 1 0.735 0.005 . . . . . . . . . . 51174 1 2 . 1 1 3 3 ILE N N 15 . 1 1 3 3 ILE H H 1 0.766 0.005 . . . . . . . . . . 51174 1 3 . 1 1 4 4 PHE N N 15 . 1 1 4 4 PHE H H 1 0.776 0.005 . . . . . . . . . . 51174 1 4 . 1 1 5 5 VAL N N 15 . 1 1 5 5 VAL H H 1 0.761 0.005 . . . . . . . . . . 51174 1 5 . 1 1 6 6 LYS N N 15 . 1 1 6 6 LYS H H 1 0.765 0.008 . . . . . . . . . . 51174 1 6 . 1 1 7 7 THR N N 15 . 1 1 7 7 THR H H 1 0.728 0.005 . . . . . . . . . . 51174 1 7 . 1 1 8 8 LEU N N 15 . 1 1 8 8 LEU H H 1 0.646 0.006 . . . . . . . . . . 51174 1 8 . 1 1 9 9 THR N N 15 . 1 1 9 9 THR H H 1 0.602 0.008 . . . . . . . . . . 51174 1 9 . 1 1 10 10 GLY N N 15 . 1 1 10 10 GLY H H 1 0.626 0.006 . . . . . . . . . . 51174 1 10 . 1 1 11 11 LYS N N 15 . 1 1 11 11 LYS H H 1 0.595 0.005 . . . . . . . . . . 51174 1 11 . 1 1 12 12 THR N N 15 . 1 1 12 12 THR H H 1 0.677 0.005 . . . . . . . . . . 51174 1 12 . 1 1 13 13 ILE N N 15 . 1 1 13 13 ILE H H 1 0.736 0.007 . . . . . . . . . . 51174 1 13 . 1 1 14 14 THR N N 15 . 1 1 14 14 THR H H 1 0.755 0.010 . . . . . . . . . . 51174 1 14 . 1 1 15 15 LEU N N 15 . 1 1 15 15 LEU H H 1 0.766 0.007 . . . . . . . . . . 51174 1 15 . 1 1 16 16 GLU N N 15 . 1 1 16 16 GLU H H 1 0.732 0.005 . . . . . . . . . . 51174 1 16 . 1 1 17 17 VAL N N 15 . 1 1 17 17 VAL H H 1 0.752 0.005 . . . . . . . . . . 51174 1 17 . 1 1 18 18 GLU N N 15 . 1 1 18 18 GLU H H 1 0.756 0.008 . . . . . . . . . . 51174 1 18 . 1 1 20 20 SER N N 15 . 1 1 20 20 SER H H 1 0.742 0.005 . . . . . . . . . . 51174 1 19 . 1 1 21 21 ASP N N 15 . 1 1 21 21 ASP H H 1 0.781 0.006 . . . . . . . . . . 51174 1 20 . 1 1 22 22 THR N N 15 . 1 1 22 22 THR H H 1 0.749 0.008 . . . . . . . . . . 51174 1 21 . 1 1 23 23 ILE N N 15 . 1 1 23 23 ILE H H 1 0.771 0.005 . . . . . . . . . . 51174 1 22 . 1 1 25 25 ASN N N 15 . 1 1 25 25 ASN H H 1 0.774 0.007 . . . . . . . . . . 51174 1 23 . 1 1 26 26 VAL N N 15 . 1 1 26 26 VAL H H 1 0.779 0.007 . . . . . . . . . . 51174 1 24 . 1 1 27 27 LYS N N 15 . 1 1 27 27 LYS H H 1 0.769 0.005 . . . . . . . . . . 51174 1 25 . 1 1 28 28 ALA N N 15 . 1 1 28 28 ALA H H 1 0.778 0.005 . . . . . . . . . . 51174 1 26 . 1 1 29 29 LYS N N 15 . 1 1 29 29 LYS H H 1 0.769 0.013 . . . . . . . . . . 51174 1 27 . 1 1 30 30 ILE N N 15 . 1 1 30 30 ILE H H 1 0.758 0.005 . . . . . . . . . . 51174 1 28 . 1 1 31 31 GLN N N 15 . 1 1 31 31 GLN H H 1 0.758 0.005 . . . . . . . . . . 51174 1 29 . 1 1 32 32 ASP N N 15 . 1 1 32 32 ASP H H 1 0.769 0.007 . . . . . . . . . . 51174 1 30 . 1 1 33 33 LYS N N 15 . 1 1 33 33 LYS H H 1 0.755 0.006 . . . . . . . . . . 51174 1 31 . 1 1 34 34 GLU N N 15 . 1 1 34 34 GLU H H 1 0.737 0.005 . . . . . . . . . . 51174 1 32 . 1 1 35 35 GLY N N 15 . 1 1 35 35 GLY H H 1 0.775 0.007 . . . . . . . . . . 51174 1 33 . 1 1 36 36 ILE N N 15 . 1 1 36 36 ILE H H 1 0.780 0.007 . . . . . . . . . . 51174 1 34 . 1 1 39 39 ASP N N 15 . 1 1 39 39 ASP H H 1 0.754 0.005 . . . . . . . . . . 51174 1 35 . 1 1 40 40 GLN N N 15 . 1 1 40 40 GLN H H 1 0.744 0.005 . . . . . . . . . . 51174 1 36 . 1 1 41 41 GLN N N 15 . 1 1 41 41 GLN H H 1 0.739 0.006 . . . . . . . . . . 51174 1 37 . 1 1 42 42 ARG N N 15 . 1 1 42 42 ARG H H 1 0.755 0.007 . . . . . . . . . . 51174 1 38 . 1 1 43 43 LEU N N 15 . 1 1 43 43 LEU H H 1 0.751 0.005 . . . . . . . . . . 51174 1 39 . 1 1 44 44 ILE N N 15 . 1 1 44 44 ILE H H 1 0.761 0.005 . . . . . . . . . . 51174 1 40 . 1 1 45 45 PHE N N 15 . 1 1 45 45 PHE H H 1 0.764 0.005 . . . . . . . . . . 51174 1 41 . 1 1 46 46 ALA N N 15 . 1 1 46 46 ALA H H 1 0.726 0.005 . . . . . . . . . . 51174 1 42 . 1 1 47 47 GLY N N 15 . 1 1 47 47 GLY H H 1 0.730 0.006 . . . . . . . . . . 51174 1 43 . 1 1 48 48 LYS N N 15 . 1 1 48 48 LYS H H 1 0.756 0.008 . . . . . . . . . . 51174 1 44 . 1 1 49 49 GLN N N 15 . 1 1 49 49 GLN H H 1 0.688 0.006 . . . . . . . . . . 51174 1 45 . 1 1 50 50 LEU N N 15 . 1 1 50 50 LEU H H 1 0.744 0.006 . . . . . . . . . . 51174 1 46 . 1 1 51 51 GLU N N 15 . 1 1 51 51 GLU H H 1 0.735 0.005 . . . . . . . . . . 51174 1 47 . 1 1 52 52 ASP N N 15 . 1 1 52 52 ASP H H 1 0.739 0.005 . . . . . . . . . . 51174 1 48 . 1 1 54 54 ARG N N 15 . 1 1 54 54 ARG H H 1 0.766 0.005 . . . . . . . . . . 51174 1 49 . 1 1 55 55 THR N N 15 . 1 1 55 55 THR H H 1 0.746 0.006 . . . . . . . . . . 51174 1 50 . 1 1 56 56 LEU N N 15 . 1 1 56 56 LEU H H 1 0.774 0.005 . . . . . . . . . . 51174 1 51 . 1 1 57 57 SER N N 15 . 1 1 57 57 SER H H 1 0.757 0.005 . . . . . . . . . . 51174 1 52 . 1 1 58 58 ASP N N 15 . 1 1 58 58 ASP H H 1 0.771 0.009 . . . . . . . . . . 51174 1 53 . 1 1 59 59 TYR N N 15 . 1 1 59 59 TYR H H 1 0.754 0.005 . . . . . . . . . . 51174 1 54 . 1 1 60 60 ASN N N 15 . 1 1 60 60 ASN H H 1 0.753 0.005 . . . . . . . . . . 51174 1 55 . 1 1 61 61 ILE N N 15 . 1 1 61 61 ILE H H 1 0.751 0.006 . . . . . . . . . . 51174 1 56 . 1 1 62 62 GLN N N 15 . 1 1 62 62 GLN H H 1 0.613 0.005 . . . . . . . . . . 51174 1 57 . 1 1 63 63 LYS N N 15 . 1 1 63 63 LYS H H 1 0.739 0.005 . . . . . . . . . . 51174 1 58 . 1 1 64 64 GLU N N 15 . 1 1 64 64 GLU H H 1 0.756 0.005 . . . . . . . . . . 51174 1 59 . 1 1 65 65 SER N N 15 . 1 1 65 65 SER H H 1 0.772 0.005 . . . . . . . . . . 51174 1 60 . 1 1 66 66 THR N N 15 . 1 1 66 66 THR H H 1 0.759 0.007 . . . . . . . . . . 51174 1 61 . 1 1 67 67 LEU N N 15 . 1 1 67 67 LEU H H 1 0.762 0.005 . . . . . . . . . . 51174 1 62 . 1 1 68 68 HIS N N 15 . 1 1 68 68 HIS H H 1 0.767 0.005 . . . . . . . . . . 51174 1 63 . 1 1 69 69 LEU N N 15 . 1 1 69 69 LEU H H 1 0.767 0.006 . . . . . . . . . . 51174 1 64 . 1 1 70 70 VAL N N 15 . 1 1 70 70 VAL H H 1 0.766 0.005 . . . . . . . . . . 51174 1 65 . 1 1 71 71 LEU N N 15 . 1 1 71 71 LEU H H 1 0.710 0.005 . . . . . . . . . . 51174 1 66 . 1 1 72 72 ARG N N 15 . 1 1 72 72 ARG H H 1 0.653 0.005 . . . . . . . . . . 51174 1 67 . 1 1 73 73 LEU N N 15 . 1 1 73 73 LEU H H 1 0.359 0.005 . . . . . . . . . . 51174 1 68 . 1 1 74 74 ARG N N 15 . 1 1 74 74 ARG H H 1 0.071 0.005 . . . . . . . . . . 51174 1 69 . 1 1 75 75 GLY N N 15 . 1 1 75 75 GLY H H 1 -0.428 0.005 . . . . . . . . . . 51174 1 70 . 1 1 76 76 GLY N N 15 . 1 1 76 76 GLY H H 1 -1.058 0.005 . . . . . . . . . . 51174 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronucl_NOEs_2 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronucl_NOEs_2 _Heteronucl_NOE_list.Entry_ID 51174 _Heteronucl_NOE_list.ID 2 _Heteronucl_NOE_list.Name Ub_900_NOE _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 900 _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 6 '1H-15N heteronoe' . . . 51174 2 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 1 $software_1 . . 51174 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 GLN N N 15 . 1 1 2 2 GLN H H 1 0.832 0.006 . . . . . . . . . . 51174 2 2 . 1 1 3 3 ILE N N 15 . 1 1 3 3 ILE H H 1 0.882 0.007 . . . . . . . . . . 51174 2 3 . 1 1 4 4 PHE N N 15 . 1 1 4 4 PHE H H 1 0.886 0.006 . . . . . . . . . . 51174 2 4 . 1 1 5 5 VAL N N 15 . 1 1 5 5 VAL H H 1 0.859 0.006 . . . . . . . . . . 51174 2 5 . 1 1 6 6 LYS N N 15 . 1 1 6 6 LYS H H 1 0.890 0.006 . . . . . . . . . . 51174 2 6 . 1 1 7 7 THR N N 15 . 1 1 7 7 THR H H 1 0.831 0.007 . . . . . . . . . . 51174 2 7 . 1 1 8 8 LEU N N 15 . 1 1 8 8 LEU H H 1 0.774 0.007 . . . . . . . . . . 51174 2 8 . 1 1 9 9 THR N N 15 . 1 1 9 9 THR H H 1 0.717 0.006 . . . . . . . . . . 51174 2 9 . 1 1 10 10 GLY N N 15 . 1 1 10 10 GLY H H 1 0.732 0.006 . . . . . . . . . . 51174 2 10 . 1 1 11 11 LYS N N 15 . 1 1 11 11 LYS H H 1 0.710 0.006 . . . . . . . . . . 51174 2 11 . 1 1 12 12 THR N N 15 . 1 1 12 12 THR H H 1 0.779 0.006 . . . . . . . . . . 51174 2 12 . 1 1 13 13 ILE N N 15 . 1 1 13 13 ILE H H 1 0.855 0.013 . . . . . . . . . . 51174 2 13 . 1 1 14 14 THR N N 15 . 1 1 14 14 THR H H 1 0.836 0.006 . . . . . . . . . . 51174 2 14 . 1 1 15 15 LEU N N 15 . 1 1 15 15 LEU H H 1 0.885 0.006 . . . . . . . . . . 51174 2 15 . 1 1 16 16 GLU N N 15 . 1 1 16 16 GLU H H 1 0.811 0.006 . . . . . . . . . . 51174 2 16 . 1 1 17 17 VAL N N 15 . 1 1 17 17 VAL H H 1 0.835 0.009 . . . . . . . . . . 51174 2 17 . 1 1 18 18 GLU N N 15 . 1 1 18 18 GLU H H 1 0.843 0.006 . . . . . . . . . . 51174 2 18 . 1 1 20 20 SER N N 15 . 1 1 20 20 SER H H 1 0.833 0.007 . . . . . . . . . . 51174 2 19 . 1 1 21 21 ASP N N 15 . 1 1 21 21 ASP H H 1 0.860 0.006 . . . . . . . . . . 51174 2 20 . 1 1 22 22 THR N N 15 . 1 1 22 22 THR H H 1 0.838 0.006 . . . . . . . . . . 51174 2 21 . 1 1 23 23 ILE N N 15 . 1 1 23 23 ILE H H 1 0.874 0.008 . . . . . . . . . . 51174 2 22 . 1 1 25 25 ASN N N 15 . 1 1 25 25 ASN H H 1 0.860 0.011 . . . . . . . . . . 51174 2 23 . 1 1 26 26 VAL N N 15 . 1 1 26 26 VAL H H 1 0.875 0.006 . . . . . . . . . . 51174 2 24 . 1 1 27 27 LYS N N 15 . 1 1 27 27 LYS H H 1 0.879 0.006 . . . . . . . . . . 51174 2 25 . 1 1 28 28 ALA N N 15 . 1 1 28 28 ALA H H 1 0.879 0.006 . . . . . . . . . . 51174 2 26 . 1 1 29 29 LYS N N 15 . 1 1 29 29 LYS H H 1 0.874 0.008 . . . . . . . . . . 51174 2 27 . 1 1 30 30 ILE N N 15 . 1 1 30 30 ILE H H 1 0.882 0.006 . . . . . . . . . . 51174 2 28 . 1 1 31 31 GLN N N 15 . 1 1 31 31 GLN H H 1 0.869 0.006 . . . . . . . . . . 51174 2 29 . 1 1 32 32 ASP N N 15 . 1 1 32 32 ASP H H 1 0.874 0.006 . . . . . . . . . . 51174 2 30 . 1 1 33 33 LYS N N 15 . 1 1 33 33 LYS H H 1 0.863 0.006 . . . . . . . . . . 51174 2 31 . 1 1 34 34 GLU N N 15 . 1 1 34 34 GLU H H 1 0.849 0.006 . . . . . . . . . . 51174 2 32 . 1 1 35 35 GLY N N 15 . 1 1 35 35 GLY H H 1 0.865 0.010 . . . . . . . . . . 51174 2 33 . 1 1 36 36 ILE N N 15 . 1 1 36 36 ILE H H 1 0.885 0.006 . . . . . . . . . . 51174 2 34 . 1 1 39 39 ASP N N 15 . 1 1 39 39 ASP H H 1 0.855 0.006 . . . . . . . . . . 51174 2 35 . 1 1 40 40 GLN N N 15 . 1 1 40 40 GLN H H 1 0.843 0.006 . . . . . . . . . . 51174 2 36 . 1 1 41 41 GLN N N 15 . 1 1 41 41 GLN H H 1 0.849 0.006 . . . . . . . . . . 51174 2 37 . 1 1 42 42 ARG N N 15 . 1 1 42 42 ARG H H 1 0.879 0.015 . . . . . . . . . . 51174 2 38 . 1 1 43 43 LEU N N 15 . 1 1 43 43 LEU H H 1 0.824 0.006 . . . . . . . . . . 51174 2 39 . 1 1 44 44 ILE N N 15 . 1 1 44 44 ILE H H 1 0.874 0.006 . . . . . . . . . . 51174 2 40 . 1 1 45 45 PHE N N 15 . 1 1 45 45 PHE H H 1 0.869 0.006 . . . . . . . . . . 51174 2 41 . 1 1 46 46 ALA N N 15 . 1 1 46 46 ALA H H 1 0.809 0.008 . . . . . . . . . . 51174 2 42 . 1 1 47 47 GLY N N 15 . 1 1 47 47 GLY H H 1 0.812 0.008 . . . . . . . . . . 51174 2 43 . 1 1 48 48 LYS N N 15 . 1 1 48 48 LYS H H 1 0.845 0.006 . . . . . . . . . . 51174 2 44 . 1 1 49 49 GLN N N 15 . 1 1 49 49 GLN H H 1 0.786 0.006 . . . . . . . . . . 51174 2 45 . 1 1 50 50 LEU N N 15 . 1 1 50 50 LEU H H 1 0.845 0.008 . . . . . . . . . . 51174 2 46 . 1 1 51 51 GLU N N 15 . 1 1 51 51 GLU H H 1 0.849 0.006 . . . . . . . . . . 51174 2 47 . 1 1 52 52 ASP N N 15 . 1 1 52 52 ASP H H 1 0.819 0.007 . . . . . . . . . . 51174 2 48 . 1 1 54 54 ARG N N 15 . 1 1 54 54 ARG H H 1 0.868 0.009 . . . . . . . . . . 51174 2 49 . 1 1 55 55 THR N N 15 . 1 1 55 55 THR H H 1 0.842 0.012 . . . . . . . . . . 51174 2 50 . 1 1 56 56 LEU N N 15 . 1 1 56 56 LEU H H 1 0.876 0.007 . . . . . . . . . . 51174 2 51 . 1 1 57 57 SER N N 15 . 1 1 57 57 SER H H 1 0.854 0.006 . . . . . . . . . . 51174 2 52 . 1 1 58 58 ASP N N 15 . 1 1 58 58 ASP H H 1 0.855 0.006 . . . . . . . . . . 51174 2 53 . 1 1 59 59 TYR N N 15 . 1 1 59 59 TYR H H 1 0.855 0.006 . . . . . . . . . . 51174 2 54 . 1 1 60 60 ASN N N 15 . 1 1 60 60 ASN H H 1 0.851 0.006 . . . . . . . . . . 51174 2 55 . 1 1 61 61 ILE N N 15 . 1 1 61 61 ILE H H 1 0.861 0.006 . . . . . . . . . . 51174 2 56 . 1 1 62 62 GLN N N 15 . 1 1 62 62 GLN H H 1 0.704 0.006 . . . . . . . . . . 51174 2 57 . 1 1 63 63 LYS N N 15 . 1 1 63 63 LYS H H 1 0.829 0.006 . . . . . . . . . . 51174 2 58 . 1 1 64 64 GLU N N 15 . 1 1 64 64 GLU H H 1 0.861 0.006 . . . . . . . . . . 51174 2 59 . 1 1 65 65 SER N N 15 . 1 1 65 65 SER H H 1 0.854 0.016 . . . . . . . . . . 51174 2 60 . 1 1 66 66 THR N N 15 . 1 1 66 66 THR H H 1 0.845 0.006 . . . . . . . . . . 51174 2 61 . 1 1 67 67 LEU N N 15 . 1 1 67 67 LEU H H 1 0.880 0.006 . . . . . . . . . . 51174 2 62 . 1 1 68 68 HIS N N 15 . 1 1 68 68 HIS H H 1 0.869 0.017 . . . . . . . . . . 51174 2 63 . 1 1 69 69 LEU N N 15 . 1 1 69 69 LEU H H 1 0.866 0.009 . . . . . . . . . . 51174 2 64 . 1 1 70 70 VAL N N 15 . 1 1 70 70 VAL H H 1 0.873 0.014 . . . . . . . . . . 51174 2 65 . 1 1 71 71 LEU N N 15 . 1 1 71 71 LEU H H 1 0.810 0.006 . . . . . . . . . . 51174 2 66 . 1 1 72 72 ARG N N 15 . 1 1 72 72 ARG H H 1 0.796 0.009 . . . . . . . . . . 51174 2 67 . 1 1 73 73 LEU N N 15 . 1 1 73 73 LEU H H 1 0.604 0.006 . . . . . . . . . . 51174 2 68 . 1 1 74 74 ARG N N 15 . 1 1 74 74 ARG H H 1 0.411 0.006 . . . . . . . . . . 51174 2 69 . 1 1 75 75 GLY N N 15 . 1 1 75 75 GLY H H 1 0.121 0.006 . . . . . . . . . . 51174 2 70 . 1 1 76 76 GLY N N 15 . 1 1 76 76 GLY H H 1 -0.322 0.006 . . . . . . . . . . 51174 2 stop_ save_