data_LACS ################################# # LACS Output Information # ################################# ############################################################ # LACS Designator Definition # # # # Index Value Definition # # # # 0 Outliers # # 1 Normal points # # # ############################################################ save_LACS_CACB_CA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr16249_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -2.04 _LACS_plot.Line_1_terminator_val_y_1 -0.50 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.77 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.32 _LACS_plot.Line_2_terminator_val_x_2 7.43 _LACS_plot.Line_2_terminator_val_y_2 5.85 _LACS_plot.Y_axis_chem_shift_offset -0.17 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 118 ILE -0.05 -1.56 0 66 THR -0.42 -1.83 0 119 ASN -0.53 -2.05 0 10 MET 0.31 0.17 1 12 ARG 0.49 0.33 1 14 SER 0.06 0.17 1 15 MET 0.55 0.37 1 17 ALA -0.25 -0.02 1 18 ALA 0.15 0.13 1 19 SER 0.04 0.05 1 20 ALA -0.27 -0.06 1 21 ALA 0.11 0.15 1 22 VAL 0.07 0.05 1 23 SER -0.24 -0.24 1 24 VAL 0.31 0.27 1 27 TYR -0.53 -0.18 1 30 GLN 0.72 0.46 1 31 SER -0.17 -0.03 1 32 SER 0.67 0.72 1 33 SER 1.50 1.74 1 34 ALA 6.91 5.56 1 36 VAL 3.62 2.50 1 37 ALA 2.37 2.74 1 38 SER 4.41 3.28 1 39 ALA 3.31 2.34 1 40 ALA 2.92 2.33 1 41 ALA 3.83 2.83 1 42 SER 4.09 3.12 1 43 ARG 4.07 3.47 1 44 LEU 1.84 1.48 1 45 SER 0.68 0.37 1 46 SER -0.87 0.13 1 48 ALA 2.52 2.22 1 49 ALA 2.80 2.80 1 50 SER 5.54 4.04 1 51 SER 4.43 3.58 1 52 ARG 3.84 4.74 1 53 VAL 6.58 5.62 1 54 SER 5.49 4.59 1 55 SER 4.30 3.44 1 56 ALA 4.16 2.37 1 57 VAL 6.79 5.58 1 58 SER 4.47 3.61 1 59 SER 3.90 3.35 1 60 LEU 2.66 2.86 1 61 VAL 5.09 3.88 1 62 SER 4.01 3.32 1 63 SER 0.67 1.52 1 67 ASN -2.04 -0.42 1 68 GLN 4.36 4.06 1 69 ALA 3.95 2.67 1 70 ALA 1.46 2.30 1 71 LEU 4.61 3.59 1 72 SER 5.05 4.45 1 73 ASN 3.69 3.24 1 74 THR 7.30 5.90 1 75 ILE 6.56 5.53 1 76 SER 4.59 3.71 1 77 SER 3.77 3.08 1 78 VAL 6.71 5.72 1 79 VAL 7.17 5.60 1 80 SER 4.80 3.81 1 81 GLN 2.05 3.35 1 82 VAL 6.83 5.20 1 83 SER 4.06 3.20 1 84 ALA 2.58 2.04 1 85 SER 0.31 0.91 1 86 ASN -1.19 0.54 1 89 LEU -1.38 -0.62 1 90 SER -1.43 -0.13 1 93 ASP 3.20 4.06 1 94 VAL 5.41 4.21 1 95 LEU 2.80 2.56 1 96 VAL 6.78 5.53 1 97 GLN 5.64 3.92 1 98 ALA 1.28 2.28 1 99 LEU 3.03 2.66 1 100 LEU 3.50 3.08 1 101 GLU 5.85 4.47 1 102 VAL 7.44 5.60 1 103 VAL 7.34 5.75 1 104 SER 5.40 4.99 1 105 ALA 2.98 2.43 1 106 LEU 3.40 3.20 1 107 VAL 6.16 4.85 1 108 SER 4.32 3.40 1 109 ILE 5.04 4.56 1 110 LEU 3.91 3.16 1 112 SER -1.53 -0.34 1 113 SER -0.95 0.48 1 114 SER -1.89 -1.88 1 115 ILE 1.89 1.41 1 117 GLN 0.83 0.28 1 120 TYR 5.72 4.51 1 122 ALA 0.09 0.16 1 123 SER 4.65 4.14 1 124 ALA 4.04 2.83 1 125 GLN 4.45 3.00 1 126 TYR 5.54 4.45 1 127 THR 6.14 4.94 1 128 GLN 4.40 3.13 1 129 MET 4.32 4.04 1 130 VAL 7.43 5.34 1 132 GLN 4.09 2.99 1 133 SER 5.37 4.57 1 134 VAL 5.48 3.99 1 135 ALA 3.70 2.65 1 136 GLN 3.29 2.51 1 137 ALA 1.20 1.97 1 138 LEU -1.21 -1.32 1 139 ALA -0.03 0.40 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr16249_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -2.04 _LACS_plot.Line_1_terminator_val_y_1 1.54 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.23 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.68 _LACS_plot.Line_2_terminator_val_x_2 7.43 _LACS_plot.Line_2_terminator_val_y_2 -1.58 _LACS_plot.Y_axis_chem_shift_offset -0.17 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 118 ILE -0.05 -1.51 0 66 THR -0.42 -1.41 0 119 ASN -0.53 -1.52 0 10 MET 0.31 -0.14 1 12 ARG 0.49 -0.16 1 14 SER 0.06 0.11 1 15 MET 0.55 -0.18 1 17 ALA -0.25 0.23 1 18 ALA 0.15 -0.02 1 19 SER 0.04 0.01 1 20 ALA -0.27 0.21 1 21 ALA 0.11 0.04 1 22 VAL 0.07 -0.02 1 23 SER -0.24 0.00 1 24 VAL 0.31 -0.04 1 27 TYR -0.53 0.35 1 30 GLN 0.72 -0.26 1 31 SER -0.17 0.14 1 32 SER 0.67 0.05 1 33 SER 1.50 0.24 1 34 ALA 6.91 -1.35 1 36 VAL 3.62 -1.12 1 37 ALA 2.37 0.37 1 38 SER 4.41 -1.13 1 39 ALA 3.31 -0.97 1 40 ALA 2.92 -0.59 1 41 ALA 3.83 -1.00 1 42 SER 4.09 -0.97 1 43 ARG 4.07 -0.60 1 44 LEU 1.84 -0.36 1 45 SER 0.68 -0.31 1 46 SER -0.87 1.00 1 48 ALA 2.52 -0.30 1 49 ALA 2.80 0.00 1 50 SER 5.54 -1.50 1 51 SER 4.43 -0.85 1 52 ARG 3.84 0.90 1 53 VAL 6.58 -0.96 1 54 SER 5.49 -0.90 1 55 SER 4.30 -0.86 1 56 ALA 4.16 -1.79 1 57 VAL 6.79 -1.21 1 58 SER 4.47 -0.86 1 59 SER 3.90 -0.55 1 60 LEU 2.66 0.20 1 61 VAL 5.09 -1.21 1 62 SER 4.01 -0.69 1 63 SER 0.67 0.85 1 67 ASN -2.04 1.62 1 68 GLN 4.36 -0.30 1 69 ALA 3.95 -1.28 1 70 ALA 1.46 0.84 1 71 LEU 4.61 -1.02 1 72 SER 5.05 -0.60 1 73 ASN 3.69 -0.45 1 74 THR 7.30 -1.40 1 75 ILE 6.56 -1.03 1 76 SER 4.59 -0.88 1 77 SER 3.77 -0.69 1 78 VAL 6.71 -0.99 1 79 VAL 7.17 -1.57 1 80 SER 4.80 -0.99 1 81 GLN 2.05 1.30 1 82 VAL 6.83 -1.63 1 83 SER 4.06 -0.86 1 84 ALA 2.58 -0.54 1 85 SER 0.31 0.60 1 86 ASN -1.19 1.73 1 89 LEU -1.38 0.76 1 90 SER -1.43 1.30 1 93 ASP 3.20 0.86 1 94 VAL 5.41 -1.20 1 95 LEU 2.80 -0.24 1 96 VAL 6.78 -1.25 1 97 GLN 5.64 -1.72 1 98 ALA 1.28 1.00 1 99 LEU 3.03 -0.37 1 100 LEU 3.50 -0.42 1 101 GLU 5.85 -1.38 1 102 VAL 7.44 -1.84 1 103 VAL 7.34 -1.59 1 104 SER 5.40 -0.41 1 105 ALA 2.98 -0.55 1 106 LEU 3.40 -0.20 1 107 VAL 6.16 -1.31 1 108 SER 4.32 -0.92 1 109 ILE 5.04 -0.48 1 110 LEU 3.91 -0.75 1 112 SER -1.53 1.19 1 113 SER -0.95 1.43 1 114 SER -1.89 0.01 1 115 ILE 1.89 -0.48 1 117 GLN 0.83 -0.55 1 120 TYR 5.72 -1.21 1 122 ALA 0.09 0.07 1 123 SER 4.65 -0.51 1 124 ALA 4.04 -1.21 1 125 GLN 4.45 -1.45 1 126 TYR 5.54 -1.09 1 127 THR 6.14 -1.20 1 128 GLN 4.40 -1.27 1 129 MET 4.32 -0.28 1 130 VAL 7.43 -2.09 1 132 GLN 4.09 -1.10 1 133 SER 5.37 -0.80 1 134 VAL 5.48 -1.49 1 135 ALA 3.70 -1.05 1 136 GLN 3.29 -0.78 1 137 ALA 1.20 0.77 1 138 LEU -1.21 -0.11 1 139 ALA -0.03 0.43 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr16249_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -2.04 _LACS_plot.Line_1_terminator_val_y_1 0.12 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.20 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.14 _LACS_plot.Line_2_terminator_val_x_2 7.43 _LACS_plot.Line_2_terminator_val_y_2 -0.69 _LACS_plot.Y_axis_chem_shift_offset 0.04 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 113 SER -0.95 0.61 0 108 SER 4.32 -1.10 0 10 MET 0.31 -0.03 1 12 ARG 0.49 -0.03 1 14 SER 0.06 -0.10 1 15 MET 0.55 -0.02 1 17 ALA -0.25 -0.04 1 18 ALA 0.15 -0.04 1 19 SER 0.04 -0.12 1 20 ALA -0.27 -0.06 1 21 ALA 0.11 -0.03 1 22 VAL 0.07 -0.02 1 23 SER -0.24 0.00 1 24 VAL 0.31 0.01 1 27 TYR -0.53 0.05 1 30 GLN 0.72 -0.04 1 31 SER -0.17 -0.06 1 32 SER 0.67 -0.01 1 33 SER 1.50 -0.29 1 34 ALA 6.91 -0.43 1 36 VAL 3.62 -0.35 1 37 ALA 2.37 -0.56 1 38 SER 4.41 -0.53 1 39 ALA 3.31 -0.18 1 40 ALA 2.92 -0.28 1 41 ALA 3.83 -0.49 1 42 SER 4.09 -0.24 1 43 ARG 4.07 -0.16 1 44 LEU 1.84 -0.45 1 45 SER 0.68 -0.10 1 46 SER -0.87 -0.02 1 48 ALA 2.52 -0.26 1 49 ALA 2.80 -0.25 1 50 SER 5.54 -0.35 1 51 SER 4.43 -0.18 1 52 ARG 3.84 -0.27 1 53 VAL 6.58 -0.67 1 54 SER 5.49 -0.31 1 55 SER 4.30 -0.20 1 56 ALA 4.16 -0.13 1 57 VAL 6.79 -0.73 1 58 SER 4.47 -0.23 1 59 SER 3.90 -0.27 1 60 LEU 2.66 -0.45 1 61 VAL 5.09 -0.44 1 62 SER 4.01 -0.25 1 63 SER 0.67 0.13 1 66 THR -0.42 -0.16 1 67 ASN -2.04 0.01 1 68 GLN 4.36 -0.45 1 69 ALA 3.95 -0.26 1 70 ALA 1.46 -0.21 1 71 LEU 4.61 -0.48 1 72 SER 5.05 -0.59 1 73 ASN 3.69 -0.35 1 74 THR 7.30 -0.37 1 75 ILE 6.56 -0.82 1 76 SER 4.59 -0.59 1 77 SER 3.77 -0.25 1 78 VAL 6.71 -0.53 1 79 VAL 7.17 -0.86 1 80 SER 4.80 -0.36 1 81 GLN 2.05 -0.19 1 82 VAL 6.83 -0.89 1 83 SER 4.06 -0.47 1 84 ALA 2.58 -0.23 1 85 SER 0.31 -0.06 1 86 ASN -1.19 0.08 1 89 LEU -1.38 0.09 1 90 SER -1.43 -0.08 1 93 ASP 3.20 -0.51 1 94 VAL 5.41 -0.79 1 95 LEU 2.80 -0.36 1 96 VAL 6.78 -0.91 1 97 GLN 5.64 -0.75 1 98 ALA 1.28 -0.44 1 99 LEU 3.03 -0.39 1 100 LEU 3.50 -0.42 1 101 GLU 5.85 -0.60 1 102 VAL 7.44 -0.66 1 103 VAL 7.34 -0.83 1 104 SER 5.40 -0.15 1 105 ALA 2.98 -0.55 1 106 LEU 3.40 -0.57 1 107 VAL 6.16 -0.87 1 109 ILE 5.04 -0.82 1 110 LEU 3.91 -0.59 1 112 SER -1.53 0.35 1 114 SER -1.89 0.28 1 115 ILE 1.89 -0.13 1 117 GLN 0.83 -0.17 1 118 ILE -0.05 -0.39 1 119 ASN -0.53 0.14 1 120 TYR 5.72 -0.55 1 122 ALA 0.09 0.14 1 123 SER 4.65 -0.09 1 124 ALA 4.04 -0.04 1 125 GLN 4.45 -0.33 1 126 TYR 5.54 -0.17 1 127 THR 6.14 -0.16 1 128 GLN 4.40 -0.38 1 129 MET 4.32 -0.47 1 130 VAL 7.43 -0.74 1 132 GLN 4.09 -0.36 1 133 SER 5.37 -0.31 1 134 VAL 5.48 -0.51 1 135 ALA 3.70 -0.44 1 136 GLN 3.29 -0.34 1 137 ALA 1.20 -0.24 1 138 LEU -1.21 0.14 1 139 ALA -0.03 -0.02 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr16249_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -2.04 _LACS_plot.Line_1_terminator_val_y_1 -0.81 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.16 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.30 _LACS_plot.Line_2_terminator_val_x_2 7.43 _LACS_plot.Line_2_terminator_val_y_2 2.90 _LACS_plot.Y_axis_chem_shift_offset -0.28 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 81 GLN 2.05 3.85 0 113 SER -0.95 -2.24 0 70 ALA 1.46 3.90 0 10 MET 0.31 0.47 1 12 ARG 0.49 0.80 1 14 SER 0.06 0.28 1 15 MET 0.55 0.48 1 17 ALA -0.25 0.00 1 18 ALA 0.15 0.16 1 19 SER 0.04 -0.25 1 20 ALA -0.27 -0.46 1 21 ALA 0.11 -0.06 1 22 VAL 0.07 -0.13 1 23 SER -0.24 -0.01 1 24 VAL 0.31 0.38 1 27 TYR -0.53 0.14 1 30 GLN 0.72 0.36 1 33 SER 1.50 -0.04 1 36 VAL 3.62 2.11 1 37 ALA 2.37 0.90 1 38 SER 4.41 2.72 1 39 ALA 3.31 2.35 1 40 ALA 2.92 1.39 1 41 ALA 3.83 2.87 1 42 SER 4.09 2.84 1 43 ARG 4.07 2.49 1 44 LEU 1.84 -1.64 1 45 SER 0.68 0.00 1 48 ALA 2.52 2.39 1 49 ALA 2.80 1.65 1 50 SER 5.54 3.09 1 51 SER 4.43 2.69 1 52 ARG 3.84 4.00 1 53 VAL 6.58 1.84 1 54 SER 5.49 2.67 1 55 SER 4.30 2.02 1 56 ALA 4.16 1.46 1 57 VAL 6.79 1.24 1 58 SER 4.47 4.00 1 59 SER 3.90 2.45 1 60 LEU 2.66 1.45 1 61 VAL 5.09 2.33 1 62 SER 4.01 1.83 1 63 SER 0.67 -0.79 1 67 ASN -2.04 -0.21 1 68 GLN 4.36 1.69 1 69 ALA 3.95 2.15 1 71 LEU 4.61 1.27 1 72 SER 5.05 1.92 1 73 ASN 3.69 3.03 1 74 THR 7.30 0.90 1 75 ILE 6.56 0.53 1 76 SER 4.59 2.75 1 77 SER 3.77 2.68 1 78 VAL 6.71 1.88 1 80 SER 4.80 2.79 1 82 VAL 6.83 2.58 1 83 SER 4.06 2.42 1 84 ALA 2.58 1.81 1 85 SER 0.31 -0.65 1 86 ASN -1.19 0.40 1 89 LEU -1.38 -0.08 1 90 SER -1.43 -0.12 1 93 ASP 3.20 2.77 1 94 VAL 5.41 0.72 1 95 LEU 2.80 0.77 1 96 VAL 6.78 0.80 1 97 GLN 5.64 1.50 1 98 ALA 1.28 2.08 1 99 LEU 3.03 1.64 1 100 LEU 3.50 2.68 1 101 GLU 5.85 2.21 1 102 VAL 7.44 1.92 1 103 VAL 7.34 0.99 1 104 SER 5.40 1.28 1 105 ALA 2.98 0.91 1 106 LEU 3.40 1.70 1 107 VAL 6.16 0.57 1 108 SER 4.32 2.50 1 109 ILE 5.04 4.04 1 110 LEU 3.91 1.99 1 112 SER -1.53 -0.95 1 114 SER -1.89 -0.03 1 115 ILE 1.89 0.50 1 117 GLN 0.83 0.45 1 118 ILE -0.05 -0.68 1 119 ASN -0.53 1.32 1 120 TYR 5.72 2.59 1 122 ALA 0.09 0.30 1 123 SER 4.65 2.27 1 124 ALA 4.04 1.90 1 125 GLN 4.45 3.44 1 126 TYR 5.54 1.59 1 127 THR 6.14 1.85 1 128 GLN 4.40 2.62 1 129 MET 4.32 3.11 1 130 VAL 7.43 2.37 1 132 GLN 4.09 3.07 1 133 SER 5.37 2.00 1 134 VAL 5.48 -0.20 1 135 ALA 3.70 2.45 1 136 GLN 3.29 2.17 1 137 ALA 1.20 0.82 1 138 LEU -1.21 -1.17 1 139 ALA -0.03 -0.69 1 stop_ save_