{\rtf1\ansi\ansicpg1252\cocoartf949\cocoasubrtf540 {\fonttbl\f0\fmodern\fcharset0 Courier;} {\colortbl;\red255\green255\blue255;} \margl1440\margr1440\vieww9000\viewh8400\viewkind0 \deftab720 \pard\pardeftab720\ql\qnatural \f0\fs24 \cf0 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 "data.txt"\ \ _LACS_plot.X_coord_name CA-CB\ _LACS_plot.Y_coord_name CA\ _LACS_plot.Line_1_terminator_val_x_1 -6.35\ _LACS_plot.Line_1_terminator_val_y_1 -2.37\ _LACS_plot.Line_1_terminator_val_x_2 1.99\ _LACS_plot.Line_1_terminator_val_y_2 0.93\ _LACS_plot.Line_2_terminator_val_x_1 -2.00\ _LACS_plot.Line_2_terminator_val_y_1 -1.18\ _LACS_plot.Line_2_terminator_val_x_2 5.76\ _LACS_plot.Line_2_terminator_val_y_2 4.33\ _LACS_plot.Y_axis_chem_shift_offset -0.19\ \ loop_\ _LACS.Comp_index_ID\ _LACS.Comp_ID\ _LACS.X_coord_val\ _LACS.Y_coord_val\ _LACS.Designator\ \ 73 ARG 0.56 -4.77 0\ 11 ALA -0.23 -0.09 1\ 12 ALA -0.40 -0.10 1\ 13 GLN -0.64 -0.30 1\ 14 ALA 0.18 0.11 1\ 16 GLU -0.14 0.17 1\ 17 THR 0.05 0.18 1\ 18 LYS 0.20 0.15 1\ 19 GLN -0.44 -0.09 1\ 20 ALA -0.49 -0.34 1\ 21 PHE -0.23 0.54 1\ 23 ARG 3.93 4.45 1\ 24 LYS 5.01 3.69 1\ 25 PHE 2.89 2.08 1\ 26 VAL 5.76 4.27 1\ 27 LEU 4.67 2.76 1\ 28 ALA 3.74 2.61 1\ 29 ALA 3.66 2.48 1\ 30 LEU 3.91 3.00 1\ 31 GLU 3.58 3.08 1\ 32 GLN 2.17 1.88 1\ 33 SER -1.13 0.20 1\ 34 SER -1.22 0.26 1\ 35 ASP -1.56 -1.35 1\ 36 ASP 3.21 2.40 1\ 37 ALA -1.49 -0.82 1\ 39 TRP -3.48 -0.90 1\ 40 ALA -6.35 -2.30 1\ 41 ASN -1.41 -0.38 1\ 42 LEU 3.93 3.76 1\ 44 ASN 3.48 2.90 1\ 45 PHE 3.43 2.65 1\ 47 ASN 3.62 2.87 1\ 48 TYR 5.18 4.63 1\ 49 LEU 4.57 3.22 1\ 50 ASN 1.98 2.38 1\ 51 LYS 3.17 2.31 1\ 52 LEU 0.77 1.32 1\ 53 GLN -2.02 -0.92 1\ 55 ASP 0.32 -0.73 1\ 56 PHE 4.37 3.45 1\ 57 ASP -3.14 -1.30 1\ 58 SER 5.21 4.75 1\ 59 ARG 3.87 2.79 1\ 60 LEU 2.85 1.46 1\ 61 TYR -1.56 -1.53 1\ 63 TYR -4.81 -1.00 1\ 64 LYS 3.54 3.33 1\ 65 LYS -4.73 -2.11 1\ 66 LEU 3.95 3.03 1\ 67 SER 5.48 3.22 1\ 68 ASP 2.69 2.97 1\ 69 LEU 3.94 3.74 1\ 70 VAL 4.87 3.38 1\ 71 LYS 3.27 2.97 1\ 72 ALA 0.05 1.19 1\ 74 THR 2.16 1.08 1\ 75 ASP 2.41 0.28 1\ 76 LEU -0.86 0.25 1\ 77 PHE -6.05 -2.82 1\ 78 VAL -1.71 -0.62 1\ 79 THR -5.61 -2.32 1\ 80 GLU -4.22 -0.72 1\ 81 GLU -3.05 -1.41 1\ 82 ARG -4.07 -1.25 1\ 83 GLN 0.37 0.39 1\ 84 VAL -0.17 0.18 1\ 87 SER -3.67 -2.18 1\ 88 THR 1.08 0.30 1\ 89 GLN -0.72 -0.10 1\ 90 LYS -2.25 -0.61 1\ 91 ALA -5.55 -1.76 1\ 92 LEU -0.69 0.18 1\ 93 TYR -4.47 -1.39 1\ 94 LEU -4.89 -0.97 1\ 95 ARG -4.77 -2.20 1\ 96 ALA 0.67 -0.18 1\ 97 LYS 0.95 0.71 1\ 98 LEU -0.64 -0.47 1\ \ stop_\ \ save_\ \ \ \ save_LACS_CACB_CB_output\ _LACS_plot.Sf_category LACS_output\ _LACS_plot.Input_file_name "data.txt"\ \ _LACS_plot.X_coord_name CA-CB\ _LACS_plot.Y_coord_name CB\ _LACS_plot.Line_1_terminator_val_x_1 -6.35\ _LACS_plot.Line_1_terminator_val_y_1 3.98\ _LACS_plot.Line_1_terminator_val_x_2 1.99\ _LACS_plot.Line_1_terminator_val_y_2 -1.06\ _LACS_plot.Line_2_terminator_val_x_1 -2.00\ _LACS_plot.Line_2_terminator_val_y_1 0.82\ _LACS_plot.Line_2_terminator_val_x_2 5.76\ _LACS_plot.Line_2_terminator_val_y_2 -1.43\ _LACS_plot.Y_axis_chem_shift_offset -0.19\ \ loop_\ _LACS.Comp_index_ID\ _LACS.Comp_ID\ _LACS.X_coord_val\ _LACS.Y_coord_val\ _LACS.Designator\ \ 73 ARG 0.56 -5.33 0\ 11 ALA -0.23 0.14 1\ 12 ALA -0.40 0.30 1\ 13 GLN -0.64 0.34 1\ 14 ALA 0.18 -0.07 1\ 16 GLU -0.14 0.31 1\ 17 THR 0.05 0.13 1\ 18 LYS 0.20 -0.05 1\ 19 GLN -0.44 0.35 1\ 20 ALA -0.49 0.15 1\ 21 PHE -0.23 0.77 1\ 23 ARG 3.93 0.52 1\ 24 LYS 5.01 -1.32 1\ 25 PHE 2.89 -0.81 1\ 26 VAL 5.76 -1.49 1\ 27 LEU 4.67 -1.91 1\ 28 ALA 3.74 -1.13 1\ 29 ALA 3.66 -1.18 1\ 30 LEU 3.91 -0.91 1\ 31 GLU 3.58 -0.50 1\ 32 GLN 2.17 -0.29 1\ 33 SER -1.13 1.33 1\ 34 SER -1.22 1.48 1\ 35 ASP -1.56 0.21 1\ 36 ASP 3.21 -0.81 1\ 37 ALA -1.49 0.67 1\ 39 TRP -3.48 2.58 1\ 40 ALA -6.35 4.05 1\ 41 ASN -1.41 1.03 1\ 42 LEU 3.93 -0.17 1\ 44 ASN 3.48 -0.58 1\ 45 PHE 3.43 -0.78 1\ 47 ASN 3.62 -0.75 1\ 48 TYR 5.18 -0.55 1\ 49 LEU 4.57 -1.35 1\ 50 ASN 1.98 0.40 1\ 51 LYS 3.17 -0.86 1\ 52 LEU 0.77 0.55 1\ 53 GLN -2.02 1.10 1\ 55 ASP 0.32 -1.05 1\ 56 PHE 4.37 -0.92 1\ 57 ASP -3.14 1.84 1\ 58 SER 5.21 -0.46 1\ 59 ARG 3.87 -1.08 1\ 60 LEU 2.85 -1.39 1\ 61 TYR -1.56 0.03 1\ 63 TYR -4.81 3.81 1\ 64 LYS 3.54 -0.21 1\ 65 LYS -4.73 2.62 1\ 66 LEU 3.95 -0.92 1\ 67 SER 5.48 -2.26 1\ 68 ASP 2.69 0.28 1\ 69 LEU 3.94 -0.20 1\ 70 VAL 4.87 -1.49 1\ 71 LYS 3.27 -0.30 1\ 72 ALA 0.05 1.14 1\ 74 THR 2.16 -1.08 1\ 75 ASP 2.41 -2.13 1\ 76 LEU -0.86 1.11 1\ 77 PHE -6.05 3.23 1\ 78 VAL -1.71 1.09 1\ 79 THR -5.61 3.29 1\ 80 GLU -4.22 3.50 1\ 81 GLU -3.05 1.64 1\ 82 ARG -4.07 2.82 1\ 83 GLN 0.37 0.02 1\ 84 VAL -0.17 0.35 1\ 87 SER -3.67 1.49 1\ 88 THR 1.08 -0.78 1\ 89 GLN -0.72 0.62 1\ 90 LYS -2.25 1.64 1\ 91 ALA -5.55 3.79 1\ 92 LEU -0.69 0.87 1\ 93 TYR -4.47 3.08 1\ 94 LEU -4.89 3.92 1\ 95 ARG -4.77 2.57 1\ 96 ALA 0.67 -0.85 1\ 97 LYS 0.95 -0.24 1\ 98 LEU -0.64 0.17 1\ \ stop_\ \ save_\ \ \ \ save_LACS_CACB_HA_output\ _LACS_plot.Sf_category LACS_output\ _LACS_plot.Input_file_name "data.txt"\ \ _LACS_plot.X_coord_name CA-CB\ _LACS_plot.Y_coord_name HA\ _LACS_plot.Line_1_terminator_val_x_1 -6.35\ _LACS_plot.Line_1_terminator_val_y_1 0.62\ _LACS_plot.Line_1_terminator_val_x_2 1.99\ _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 0.17\ _LACS_plot.Line_2_terminator_val_x_2 5.76\ _LACS_plot.Line_2_terminator_val_y_2 -0.56\ _LACS_plot.Y_axis_chem_shift_offset 0.01\ \ loop_\ _LACS.Comp_index_ID\ _LACS.Comp_ID\ _LACS.X_coord_val\ _LACS.Y_coord_val\ _LACS.Designator\ \ 69 LEU 3.94 -1.78 0\ 11 ALA -0.23 -0.07 1\ 12 ALA -0.40 -0.04 1\ 13 GLN -0.64 -0.04 1\ 14 ALA 0.18 -0.04 1\ 16 GLU -0.14 -0.04 1\ 17 THR 0.05 -0.01 1\ 18 LYS 0.20 0.05 1\ 19 GLN -0.44 0.04 1\ 20 ALA -0.49 0.13 1\ 21 PHE -0.23 -0.47 1\ 23 ARG 3.93 -0.69 1\ 24 LYS 5.01 -0.39 1\ 25 PHE 2.89 -0.13 1\ 26 VAL 5.76 -0.51 1\ 27 LEU 4.67 -0.11 1\ 28 ALA 3.74 -0.03 1\ 29 ALA 3.66 -0.38 1\ 30 LEU 3.91 -0.33 1\ 31 GLU 3.58 -0.38 1\ 32 GLN 2.17 -0.34 1\ 33 SER -1.13 -0.21 1\ 34 SER -1.22 0.00 1\ 35 ASP -1.56 0.14 1\ 36 ASP 3.21 -0.23 1\ 37 ALA -1.49 0.21 1\ 39 TRP -3.48 0.39 1\ 40 ALA -6.35 0.78 1\ 41 ASN -1.41 -0.97 1\ 42 LEU 3.93 -0.51 1\ 44 ASN 3.48 -0.27 1\ 45 PHE 3.43 -0.12 1\ 47 ASN 3.62 -0.27 1\ 48 TYR 5.18 -0.54 1\ 49 LEU 4.57 -0.72 1\ 50 ASN 1.98 -0.25 1\ 51 LYS 3.17 -0.33 1\ 52 LEU 0.77 -0.26 1\ 53 GLN -2.02 -0.07 1\ 55 ASP 0.32 -0.04 1\ 56 PHE 4.37 -0.57 1\ 57 ASP -3.14 0.03 1\ 58 SER 5.21 -0.48 1\ 59 ARG 3.87 -0.27 1\ 60 LEU 2.85 -0.50 1\ 61 TYR -1.56 0.23 1\ 63 TYR -4.81 0.39 1\ 64 LYS 3.54 -0.41 1\ 65 LYS -4.73 0.47 1\ 66 LEU 3.95 -0.10 1\ 67 SER 5.48 -0.77 1\ 68 ASP 2.69 -0.28 1\ 70 VAL 4.87 -0.61 1\ 71 LYS 3.27 -0.47 1\ 72 ALA 0.05 0.07 1\ 73 ARG 0.56 0.53 1\ 74 THR 2.16 0.20 1\ 75 ASP 2.41 -0.33 1\ 76 LEU -0.86 -0.12 1\ 77 PHE -6.05 1.03 1\ 78 VAL -1.71 0.30 1\ 79 THR -5.61 1.53 1\ 80 GLU -4.22 0.24 1\ 81 GLU -3.05 0.86 1\ 82 ARG -4.07 0.29 1\ 83 GLN 0.37 0.00 1\ 84 VAL -0.17 -0.04 1\ 87 SER -3.67 0.49 1\ 88 THR 1.08 0.09 1\ 89 GLN -0.72 0.04 1\ 90 LYS -2.25 0.46 1\ 91 ALA -5.55 0.42 1\ 92 LEU -0.69 0.37 1\ 93 TYR -4.47 0.72 1\ 94 LEU -4.89 1.53 1\ 95 ARG -4.77 0.37 1\ 96 ALA 0.67 0.08 1\ 97 LYS 0.95 -0.40 1\ 98 LEU -0.64 -0.02 1\ \ stop_\ \ save_\ \ \ \ save_LACS_CACB_CO_output\ _LACS_plot.Sf_category LACS_output\ _LACS_plot.Input_file_name "data.txt"\ \ _LACS_plot.X_coord_name CA-CB\ _LACS_plot.Y_coord_name CO\ _LACS_plot.Line_1_terminator_val_x_1 -6.35\ _LACS_plot.Line_1_terminator_val_y_1 -1.49\ _LACS_plot.Line_1_terminator_val_x_2 1.99\ _LACS_plot.Line_1_terminator_val_y_2 0.64\ _LACS_plot.Line_2_terminator_val_x_1 -2.00\ _LACS_plot.Line_2_terminator_val_y_1 -0.44\ _LACS_plot.Line_2_terminator_val_x_2 5.76\ _LACS_plot.Line_2_terminator_val_y_2 1.67\ _LACS_plot.Y_axis_chem_shift_offset -0.12\ \ loop_\ _LACS.Comp_index_ID\ _LACS.Comp_ID\ _LACS.X_coord_val\ _LACS.Y_coord_val\ _LACS.Designator\ \ 59 ARG 3.87 4.39 0\ 94 LEU -4.89 -4.17 0\ 11 ALA -0.23 -0.21 1\ 12 ALA -0.40 -0.19 1\ 13 GLN -0.64 -0.66 1\ 14 ALA 0.18 -0.28 1\ 16 GLU -0.14 0.30 1\ 17 THR 0.05 -0.09 1\ 18 LYS 0.20 -0.09 1\ 19 GLN -0.44 -0.37 1\ 20 ALA -0.49 -0.44 1\ 21 PHE -0.23 1.66 1\ 23 ARG 3.93 0.46 1\ 24 LYS 5.01 2.91 1\ 25 PHE 2.89 1.65 1\ 26 VAL 5.76 1.47 1\ 27 LEU 4.67 2.41 1\ 28 ALA 3.74 2.15 1\ 29 ALA 3.66 2.70 1\ 30 LEU 3.91 0.71 1\ 31 GLU 3.58 2.87 1\ 32 GLN 2.17 0.52 1\ 33 SER -1.13 -0.09 1\ 34 SER -1.22 -0.01 1\ 35 ASP -1.56 1.97 1\ 36 ASP 3.21 0.37 1\ 37 ALA -1.49 -0.39 1\ 39 TRP -3.48 0.48 1\ 40 ALA -6.35 -1.64 1\ 41 ASN -1.41 0.62 1\ 42 LEU 3.93 0.66 1\ 44 ASN 3.48 2.69 1\ 45 PHE 3.43 0.93 1\ 47 ASN 3.62 2.89 1\ 48 TYR 5.18 2.41 1\ 49 LEU 4.57 0.05 1\ 50 ASN 1.98 1.30 1\ 51 LYS 3.17 1.80 1\ 52 LEU 0.77 0.32 1\ 53 GLN -2.02 -2.36 1\ 55 ASP 0.32 0.06 1\ 56 PHE 4.37 -0.54 1\ 57 ASP -3.14 0.01 1\ 58 SER 5.21 1.65 1\ 60 LEU 2.85 -0.58 1\ 61 TYR -1.56 -0.60 1\ 63 TYR -4.81 -0.22 1\ 64 LYS 3.54 -0.27 1\ 65 LYS -4.73 0.63 1\ 66 LEU 3.95 1.22 1\ 67 SER 5.48 0.99 1\ 68 ASP 2.69 1.53 1\ 69 LEU 3.94 0.23 1\ 70 VAL 4.87 1.39 1\ 71 LYS 3.27 0.81 1\ 72 ALA 0.05 2.96 1\ 73 ARG 0.56 1.26 1\ 74 THR 2.16 0.01 1\ 75 ASP 2.41 -0.34 1\ 76 LEU -0.86 -0.36 1\ 77 PHE -6.05 0.07 1\ 78 VAL -1.71 -1.01 1\ 79 THR -5.61 -0.13 1\ 80 GLU -4.22 -2.56 1\ 81 GLU -3.05 -0.19 1\ 82 ARG -4.07 -1.08 1\ 83 GLN 0.37 -0.29 1\ 84 VAL -0.17 -0.46 1\ 87 SER -3.67 -0.31 1\ 88 THR 1.08 0.66 1\ 89 GLN -0.72 -0.54 1\ 90 LYS -2.25 -0.70 1\ 91 ALA -5.55 -2.21 1\ 92 LEU -0.69 -2.85 1\ 93 TYR -4.47 -1.37 1\ 95 ARG -4.77 -1.70 1\ 96 ALA 0.67 0.01 1\ 97 LYS 0.95 -0.62 1\ 98 LEU -0.64 -1.01 1\ \ stop_\ \ save_\ \ \ \ }