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 bmr27852_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.97 _LACS_plot.Line_1_terminator_val_y_1 -3.05 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.76 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.46 _LACS_plot.Line_2_terminator_val_x_2 6.51 _LACS_plot.Line_2_terminator_val_y_2 5.08 _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 94 ALA -7.97 -2.17 0 10 LEU 3.05 1.59 1 11 LYS 0.85 1.56 1 12 LEU 4.08 3.23 1 14 GLU 2.87 2.70 1 15 LEU 3.21 2.89 1 16 LEU 2.92 3.08 1 17 LEU 2.85 2.88 1 18 GLN 4.51 3.20 1 19 LYS 0.71 0.13 1 21 TRP -2.05 -0.88 1 22 ILE -6.44 -2.65 1 23 SER -4.11 -1.99 1 24 ARG 5.32 3.76 1 25 GLU 4.77 3.59 1 26 ALA 2.95 2.21 1 27 LEU 4.36 2.93 1 28 GLU 4.35 3.40 1 29 GLU 3.15 2.63 1 30 ALA 2.62 2.38 1 31 LEU 3.83 2.86 1 32 VAL 5.47 4.25 1 33 GLU 3.78 2.93 1 34 GLN 5.29 4.32 1 35 GLU 3.22 2.65 1 36 LYS 1.88 2.35 1 37 THR -1.95 0.27 1 39 ASP -1.42 -0.80 1 40 LEU -0.44 -0.34 1 41 LEU 3.69 3.17 1 43 ARG 3.65 2.75 1 44 ILE 4.45 4.09 1 45 LEU 3.90 2.90 1 46 VAL 3.56 2.75 1 47 ARG 4.56 3.50 1 48 LYS 1.00 0.17 1 50 LEU -1.39 -0.07 1 52 GLU 3.79 3.68 1 53 GLU 4.45 3.71 1 54 ALA 3.53 1.97 1 55 LEU 4.66 3.14 1 56 TYR 5.19 4.99 1 57 ARG 5.42 4.50 1 58 ALA 3.63 2.83 1 59 LEU 2.01 2.50 1 60 ALA 4.63 3.28 1 61 GLU 3.07 2.72 1 62 GLN 3.38 3.31 1 63 LYS -1.53 -2.11 1 65 LEU -3.90 -2.11 1 66 GLU -1.82 -0.62 1 67 PHE -1.24 -0.28 1 68 LEU -2.57 -2.08 1 69 GLU 1.21 1.40 1 70 SER -3.13 -2.29 1 71 THR 0.04 -0.95 1 72 GLU 2.67 2.13 1 74 ILE 1.05 0.15 1 75 VAL -0.13 -0.55 1 77 ASP -2.63 -1.00 1 79 SER 3.97 3.01 1 80 ALA 1.92 0.59 1 81 ALA 4.05 2.20 1 82 LEU 1.12 0.87 1 83 LEU 1.63 1.38 1 84 LEU -5.34 -1.82 1 85 LEU -0.30 -0.05 1 86 ARG 4.78 3.81 1 87 SER 4.52 2.71 1 88 ASP 2.99 3.25 1 89 ALA 4.00 3.66 1 90 LEU 2.26 2.36 1 91 ARG 3.88 2.86 1 92 TYR -0.68 -1.17 1 95 VAL -4.10 -1.17 1 97 ILE -1.38 0.41 1 99 PHE -4.64 -1.60 1 100 GLN -2.67 -0.58 1 101 ASN 2.51 1.34 1 103 GLU -3.46 -2.04 1 104 VAL -1.30 -1.47 1 105 GLU -2.45 -1.15 1 106 VAL -3.26 -1.57 1 107 VAL 0.19 -0.47 1 108 LEU -3.53 -1.77 1 109 SER -1.16 -0.96 1 110 ASP -3.92 -1.11 1 112 ARG 3.65 2.34 1 113 HIS -2.32 0.35 1 114 LYS 5.37 4.78 1 115 GLU 5.43 3.80 1 116 ALA 3.28 2.19 1 117 VAL 5.76 4.00 1 118 ALA 4.50 3.41 1 119 GLN 3.40 2.55 1 120 LEU 1.64 2.12 1 121 LEU 0.96 1.60 1 122 ASN 1.72 0.70 1 123 ARG -0.73 -0.39 1 125 ALA -5.73 -1.80 1 126 ARG -3.25 -1.55 1 127 PHE -2.90 0.23 1 128 TYR -6.34 -2.52 1 129 LEU -5.93 -1.91 1 130 ALA -6.92 -2.98 1 131 LEU 1.80 0.82 1 133 GLN 5.13 3.54 1 134 ALA 1.76 1.62 1 135 TRP 6.51 6.02 1 136 GLU 4.03 3.46 1 137 GLU 3.04 2.62 1 138 LEU 2.89 2.16 1 139 PHE 5.70 4.36 1 140 ARG 3.29 2.71 1 141 ARG 1.77 1.87 1 142 ALA -0.67 0.76 1 143 TYR -0.45 -0.69 1 145 GLN 0.13 0.80 1 146 LYS 0.81 1.53 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27852_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.97 _LACS_plot.Line_1_terminator_val_y_1 4.92 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.24 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.54 _LACS_plot.Line_2_terminator_val_x_2 6.51 _LACS_plot.Line_2_terminator_val_y_2 -1.43 _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 94 ALA -7.97 5.80 0 10 LEU 3.05 -1.46 1 11 LYS 0.85 0.71 1 12 LEU 4.08 -0.85 1 14 GLU 2.87 -0.17 1 15 LEU 3.21 -0.32 1 16 LEU 2.92 0.16 1 17 LEU 2.85 0.03 1 18 GLN 4.51 -1.31 1 19 LYS 0.71 -0.58 1 21 TRP -2.05 1.17 1 22 ILE -6.44 3.79 1 23 SER -4.11 2.12 1 24 ARG 5.32 -1.56 1 25 GLU 4.77 -1.18 1 26 ALA 2.95 -0.74 1 27 LEU 4.36 -1.43 1 28 GLU 4.35 -0.95 1 29 GLU 3.15 -0.52 1 30 ALA 2.62 -0.24 1 31 LEU 3.83 -0.97 1 32 VAL 5.47 -1.22 1 33 GLU 3.78 -0.85 1 34 GLN 5.29 -0.97 1 35 GLU 3.22 -0.57 1 36 LYS 1.88 0.47 1 37 THR -1.95 2.22 1 39 ASP -1.42 0.62 1 40 LEU -0.44 0.10 1 41 LEU 3.69 -0.52 1 43 ARG 3.65 -0.90 1 44 ILE 4.45 -0.36 1 45 LEU 3.90 -1.00 1 46 VAL 3.56 -0.81 1 47 ARG 4.56 -1.06 1 48 LYS 1.00 -0.83 1 50 LEU -1.39 1.32 1 52 GLU 3.79 -0.11 1 53 GLU 4.45 -0.74 1 54 ALA 3.53 -1.56 1 55 LEU 4.66 -1.52 1 56 TYR 5.19 -0.20 1 57 ARG 5.42 -0.92 1 58 ALA 3.63 -0.80 1 59 LEU 2.01 0.49 1 60 ALA 4.63 -1.35 1 61 GLU 3.07 -0.35 1 62 GLN 3.38 -0.07 1 63 LYS -1.53 -0.58 1 65 LEU -3.90 1.79 1 66 GLU -1.82 1.20 1 67 PHE -1.24 0.96 1 68 LEU -2.57 0.49 1 69 GLU 1.21 0.19 1 70 SER -3.13 0.84 1 71 THR 0.04 -0.99 1 72 GLU 2.67 -0.54 1 74 ILE 1.05 -0.90 1 75 VAL -0.13 -0.42 1 77 ASP -2.63 1.63 1 79 SER 3.97 -0.96 1 80 ALA 1.92 -1.33 1 81 ALA 4.05 -1.85 1 82 LEU 1.12 -0.25 1 83 LEU 1.63 -0.25 1 84 LEU -5.34 3.52 1 85 LEU -0.30 0.25 1 86 ARG 4.78 -0.97 1 87 SER 4.52 -1.81 1 88 ASP 2.99 0.26 1 89 ALA 4.00 -0.34 1 90 LEU 2.26 0.10 1 91 ARG 3.88 -1.02 1 92 TYR -0.68 -0.49 1 95 VAL -4.10 2.93 1 97 ILE -1.38 1.79 1 99 PHE -4.64 3.04 1 100 GLN -2.67 2.09 1 101 ASN 2.51 -1.17 1 103 GLU -3.46 1.42 1 104 VAL -1.30 -0.17 1 105 GLU -2.45 1.30 1 106 VAL -3.26 1.69 1 107 VAL 0.19 -0.66 1 108 LEU -3.53 1.76 1 109 SER -1.16 0.20 1 110 ASP -3.92 2.81 1 112 ARG 3.65 -1.31 1 113 HIS -2.32 2.67 1 114 LYS 5.37 -0.59 1 115 GLU 5.43 -1.63 1 116 ALA 3.28 -1.09 1 117 VAL 5.76 -1.76 1 118 ALA 4.50 -1.09 1 119 GLN 3.40 -0.85 1 120 LEU 1.64 0.48 1 121 LEU 0.96 0.64 1 122 ASN 1.72 -1.02 1 123 ARG -0.73 0.34 1 125 ALA -5.73 3.93 1 126 ARG -3.25 1.70 1 127 PHE -2.90 3.13 1 128 TYR -6.34 3.82 1 129 LEU -5.93 4.02 1 130 ALA -6.92 3.94 1 131 LEU 1.80 -0.98 1 133 GLN 5.13 -1.59 1 134 ALA 1.76 -0.14 1 135 TRP 6.51 -0.49 1 136 GLU 4.03 -0.57 1 137 GLU 3.04 -0.42 1 138 LEU 2.89 -0.73 1 139 PHE 5.70 -1.34 1 140 ARG 3.29 -0.58 1 141 ARG 1.77 0.10 1 142 ALA -0.67 1.43 1 143 TYR -0.45 -0.24 1 145 GLN 0.13 0.67 1 146 LYS 0.81 0.72 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27852_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.97 _LACS_plot.Line_1_terminator_val_y_1 0.84 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.23 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.19 _LACS_plot.Line_2_terminator_val_x_2 6.51 _LACS_plot.Line_2_terminator_val_y_2 -0.71 _LACS_plot.Y_axis_chem_shift_offset 0.02 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 108 LEU -3.53 1.67 0 10 LEU 3.05 -0.18 1 11 LYS 0.85 -0.17 1 12 LEU 4.08 -0.57 1 14 GLU 2.87 -0.45 1 15 LEU 3.21 -0.27 1 16 LEU 2.92 -0.53 1 17 LEU 2.85 -0.12 1 18 GLN 4.51 -0.37 1 19 LYS 0.71 -0.41 1 21 TRP -2.05 0.12 1 22 ILE -6.44 0.54 1 23 SER -4.11 0.22 1 24 ARG 5.32 -0.47 1 25 GLU 4.77 -0.34 1 26 ALA 2.95 -0.16 1 27 LEU 4.36 -0.35 1 28 GLU 4.35 -0.41 1 29 GLU 3.15 -0.32 1 30 ALA 2.62 -0.28 1 31 LEU 3.83 -0.30 1 32 VAL 5.47 -0.32 1 33 GLU 3.78 -0.25 1 34 GLN 5.29 -0.59 1 35 GLU 3.22 -0.35 1 36 LYS 1.88 -0.09 1 37 THR -1.95 0.14 1 39 ASP -1.42 -0.01 1 40 LEU -0.44 -0.12 1 41 LEU 3.69 -0.55 1 43 ARG 3.65 -0.30 1 44 ILE 4.45 -0.64 1 45 LEU 3.90 -0.47 1 46 VAL 3.56 0.55 1 47 ARG 4.56 -0.18 1 48 LYS 1.00 0.00 1 50 LEU -1.39 -0.30 1 52 GLU 3.79 -0.48 1 53 GLU 4.45 -0.48 1 54 ALA 3.53 -0.77 1 55 LEU 4.66 -0.48 1 56 TYR 5.19 -0.71 1 57 ARG 5.42 -0.79 1 58 ALA 3.63 -0.22 1 59 LEU 2.01 -0.45 1 60 ALA 4.63 -0.52 1 61 GLU 3.07 -0.25 1 62 GLN 3.38 -0.39 1 63 LYS -1.53 0.13 1 65 LEU -3.90 0.37 1 66 GLU -1.82 0.15 1 67 PHE -1.24 0.49 1 68 LEU -2.57 0.06 1 69 GLU 1.21 -0.59 1 70 SER -3.13 0.19 1 71 THR 0.04 -0.03 1 72 GLU 2.67 -0.34 1 74 ILE 1.05 -0.31 1 75 VAL -0.13 -0.12 1 77 ASP -2.63 -0.03 1 79 SER 3.97 -0.20 1 80 ALA 1.92 -0.14 1 81 ALA 4.05 -0.35 1 82 LEU 1.12 -0.03 1 83 LEU 1.63 -0.21 1 84 LEU -5.34 0.55 1 85 LEU -0.30 0.04 1 86 ARG 4.78 -1.23 1 87 SER 4.52 -0.41 1 88 ASP 2.99 0.05 1 89 ALA 4.00 0.16 1 90 LEU 2.26 -0.41 1 91 ARG 3.88 -0.56 1 92 TYR -0.68 -0.54 1 94 ALA -7.97 1.31 1 95 VAL -4.10 0.57 1 97 ILE -1.38 0.35 1 99 PHE -4.64 0.89 1 100 GLN -2.67 0.14 1 101 ASN 2.51 -0.37 1 103 GLU -3.46 0.13 1 104 VAL -1.30 0.16 1 105 GLU -2.45 0.52 1 106 VAL -3.26 0.56 1 107 VAL 0.19 0.54 1 109 SER -1.16 0.44 1 110 ASP -3.92 -0.03 1 112 ARG 3.65 -0.29 1 113 HIS -2.32 0.36 1 114 LYS 5.37 -1.16 1 115 GLU 5.43 -0.45 1 116 ALA 3.28 -0.36 1 117 VAL 5.76 -0.76 1 118 ALA 4.50 -0.10 1 119 GLN 3.40 -0.22 1 120 LEU 1.64 -0.20 1 121 LEU 0.96 -0.22 1 122 ASN 1.72 -0.30 1 123 ARG -0.73 0.21 1 125 ALA -5.73 0.91 1 126 ARG -3.25 0.13 1 127 PHE -2.90 0.85 1 128 TYR -6.34 0.91 1 129 LEU -5.93 1.04 1 130 ALA -6.92 0.56 1 131 LEU 1.80 -0.78 1 133 GLN 5.13 -0.14 1 134 ALA 1.76 -0.11 1 135 TRP 6.51 -1.11 1 136 GLU 4.03 -0.59 1 137 GLU 3.04 -0.39 1 138 LEU 2.89 -0.51 1 139 PHE 5.70 -1.03 1 140 ARG 3.29 -0.57 1 141 ARG 1.77 -0.27 1 142 ALA -0.67 -0.51 1 143 TYR -0.45 -0.20 1 145 GLN 0.13 -0.03 1 146 LYS 0.81 -0.16 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27852_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.97 _LACS_plot.Line_1_terminator_val_y_1 -3.04 _LACS_plot.Line_1_terminator_val_x_2 2.00 _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 -0.63 _LACS_plot.Line_2_terminator_val_x_2 6.51 _LACS_plot.Line_2_terminator_val_y_2 2.65 _LACS_plot.Y_axis_chem_shift_offset -0.14 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 146 LYS 0.81 4.41 0 10 LEU 3.05 1.35 1 11 LYS 0.85 1.87 1 12 LEU 4.08 0.77 1 14 GLU 2.87 2.22 1 15 LEU 3.21 1.09 1 16 LEU 2.92 1.48 1 17 LEU 2.85 3.26 1 18 GLN 4.51 2.57 1 19 LYS 0.71 0.11 1 21 TRP -2.05 -1.01 1 22 ILE -6.44 -3.36 1 23 SER -4.11 0.36 1 24 ARG 5.32 1.95 1 25 GLU 4.77 2.11 1 26 ALA 2.95 2.89 1 27 LEU 4.36 0.27 1 28 GLU 4.35 2.93 1 29 GLU 3.15 2.98 1 30 ALA 2.62 1.13 1 31 LEU 3.83 2.95 1 32 VAL 5.47 2.32 1 33 GLU 3.78 2.97 1 34 GLN 5.29 2.37 1 35 GLU 3.22 1.68 1 36 LYS 1.88 2.03 1 37 THR -1.95 2.02 1 39 ASP -1.42 -1.35 1 40 LEU -0.44 1.21 1 41 LEU 3.69 1.22 1 43 ARG 3.65 2.87 1 44 ILE 4.45 1.57 1 45 LEU 3.90 2.22 1 46 VAL 3.56 4.15 1 47 ARG 4.56 2.13 1 48 LYS 1.00 -0.11 1 50 LEU -1.39 -0.98 1 52 GLU 3.79 1.79 1 53 GLU 4.45 0.57 1 54 ALA 3.53 1.38 1 55 LEU 4.66 0.44 1 56 TYR 5.19 1.96 1 57 ARG 5.42 3.40 1 58 ALA 3.63 0.77 1 59 LEU 2.01 1.55 1 60 ALA 4.63 1.30 1 61 GLU 3.07 3.16 1 62 GLN 3.38 1.73 1 63 LYS -1.53 -0.40 1 65 LEU -3.90 -2.10 1 66 GLU -1.82 -0.89 1 67 PHE -1.24 -1.45 1 68 LEU -2.57 -4.08 1 69 GLU 1.21 -0.30 1 70 SER -3.13 -0.14 1 71 THR 0.04 0.63 1 72 GLU 2.67 0.71 1 74 ILE 1.05 -0.99 1 75 VAL -0.13 -0.84 1 77 ASP -2.63 1.44 1 79 SER 3.97 1.21 1 80 ALA 1.92 0.48 1 81 ALA 4.05 1.05 1 82 LEU 1.12 0.31 1 83 LEU 1.63 -0.78 1 84 LEU -5.34 -1.66 1 85 LEU -0.30 1.40 1 86 ARG 4.78 0.98 1 87 SER 4.52 2.96 1 88 ASP 2.99 0.67 1 89 ALA 4.00 2.59 1 90 LEU 2.26 1.79 1 91 ARG 3.88 1.39 1 92 TYR -0.68 -1.64 1 94 ALA -7.97 -3.34 1 95 VAL -4.10 -0.77 1 97 ILE -1.38 -0.04 1 99 PHE -4.64 -0.10 1 100 GLN -2.67 -0.24 1 101 ASN 2.51 -0.27 1 103 GLU -3.46 -1.01 1 104 VAL -1.30 -2.07 1 105 GLU -2.45 -0.73 1 106 VAL -3.26 -2.40 1 107 VAL 0.19 -1.06 1 108 LEU -3.53 -0.88 1 109 SER -1.16 0.77 1 110 ASP -3.92 0.62 1 112 ARG 3.65 1.07 1 113 HIS -2.32 0.37 1 114 LYS 5.37 -0.28 1 115 GLU 5.43 2.34 1 116 ALA 3.28 2.92 1 117 VAL 5.76 1.22 1 118 ALA 4.50 3.22 1 119 GLN 3.40 1.84 1 120 LEU 1.64 1.66 1 121 LEU 0.96 0.29 1 122 ASN 1.72 -1.79 1 123 ARG -0.73 -1.97 1 125 ALA -5.73 -3.15 1 126 ARG -3.25 -2.36 1 127 PHE -2.90 -0.83 1 128 TYR -6.34 -1.34 1 129 LEU -5.93 -4.45 1 130 ALA -6.92 -2.81 1 131 LEU 1.80 0.79 1 133 GLN 5.13 2.18 1 134 ALA 1.76 2.66 1 135 TRP 6.51 1.10 1 136 GLU 4.03 1.83 1 137 GLU 3.04 1.99 1 138 LEU 2.89 0.31 1 139 PHE 5.70 0.72 1 140 ARG 3.29 1.61 1 141 ARG 1.77 0.99 1 142 ALA -0.67 -1.37 1 143 TYR -0.45 -2.02 1 145 GLN 0.13 -1.18 1 stop_ save_