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 bmr15966_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -5.29 _LACS_plot.Line_1_terminator_val_y_1 -2.59 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.36 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.88 _LACS_plot.Line_2_terminator_val_x_2 7.58 _LACS_plot.Line_2_terminator_val_y_2 4.90 _LACS_plot.Y_axis_chem_shift_offset 0.46 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 134 GLN -3.90 2.05 0 10 GLN 0.18 -0.03 1 12 ARG 4.48 3.96 1 14 ALA 5.05 2.90 1 15 TRP 2.69 1.66 1 16 LEU 4.09 2.20 1 17 LEU 4.65 2.57 1 18 MET 6.09 4.66 1 19 ALA 4.99 2.82 1 20 PHE 5.55 3.86 1 21 THR 5.14 3.87 1 22 ALA 4.26 2.15 1 23 LEU 4.08 2.55 1 24 ALA 5.25 2.46 1 25 LEU 2.77 2.83 1 26 GLU 5.18 1.49 1 27 LEU 4.68 2.51 1 29 ALA 5.93 3.12 1 30 LEU 3.82 2.07 1 31 TRP 6.20 4.36 1 32 PHE 5.20 3.31 1 33 GLN 0.86 0.87 1 34 HIS 0.91 3.45 1 35 VAL 4.93 1.71 1 36 MET 1.34 -0.30 1 37 LEU 6.62 0.46 1 38 LEU 0.90 -1.09 1 39 LYS -0.12 -0.25 1 42 VAL 6.96 4.58 1 43 LEU 6.41 3.08 1 44 SER 4.50 2.49 1 45 ILE 6.89 0.85 1 46 TYR 3.29 1.04 1 47 GLU 5.93 2.77 1 48 ARG 5.34 3.65 1 49 ALA 6.26 3.43 1 50 ALA 6.05 3.01 1 51 LEU 3.32 1.92 1 52 PHE 5.72 4.00 1 54 VAL 7.59 4.80 1 55 LEU 5.03 3.61 1 57 ALA 4.40 2.68 1 58 ALA 3.73 1.95 1 59 LEU 4.37 2.20 1 60 ILE 5.52 3.11 1 62 ALA 1.36 0.53 1 63 ILE 6.59 4.82 1 64 ALA 0.36 0.43 1 66 LYS 2.80 0.96 1 67 THR 0.44 0.38 1 69 LEU 4.48 2.10 1 70 ARG 5.84 2.55 1 71 TYR 2.69 0.69 1 72 VAL 5.99 3.59 1 73 ALA 3.50 2.92 1 74 MET 5.48 5.13 1 75 VAL 7.00 4.65 1 76 ILE 5.76 4.25 1 77 TRP 0.68 0.96 1 78 LEU 3.62 3.43 1 79 TYR 4.49 4.62 1 80 SER 6.24 5.02 1 81 ALA 4.36 2.29 1 82 PHE 5.21 3.83 1 83 ARG 4.66 0.44 1 85 VAL 7.13 4.36 1 86 GLN 5.10 4.45 1 88 THR 4.72 3.11 1 89 TYR 5.77 4.40 1 90 GLU 4.48 2.79 1 91 HIS -1.96 2.23 1 92 THR 6.94 5.39 1 93 MET 4.43 1.95 1 94 LEU 3.43 1.95 1 95 GLN 3.01 1.81 1 96 LEU 1.01 1.20 1 97 TYR -0.46 -1.09 1 99 SER -2.99 -3.05 1 101 PHE -0.23 -1.24 1 102 ALA 0.00 -0.26 1 103 THR 0.10 -0.48 1 104 SER 0.02 -0.39 1 105 ASP -0.15 -0.47 1 106 PHE -0.31 -1.21 1 107 MET -2.12 -1.18 1 108 VAL 0.83 -0.45 1 109 ARG -1.18 -1.77 1 110 PHE 2.20 1.25 1 112 GLU 3.29 2.13 1 113 TRP -2.25 -3.90 1 114 LEU -0.60 -1.06 1 116 LEU 6.37 2.92 1 117 ASP 4.53 1.42 1 118 LYS 2.50 0.64 1 119 TRP -0.88 -0.28 1 120 VAL 0.22 -1.35 1 122 GLN 4.79 2.49 1 123 VAL -1.89 -0.68 1 124 PHE 1.62 0.57 1 125 VAL 1.19 0.35 1 126 ALA -3.97 -2.00 1 127 SER -1.48 -0.38 1 129 ASP -4.03 -1.55 1 131 ALA 1.36 0.99 1 132 GLU 0.06 -0.15 1 133 ARG 2.92 0.60 1 135 TRP 1.08 2.58 1 136 ASP -5.29 -2.45 1 137 PHE -2.81 -0.96 1 138 LEU 4.23 0.19 1 140 LEU -0.35 -1.37 1 141 GLU -2.18 -1.42 1 142 MET 5.17 3.87 1 144 GLN 3.17 3.17 1 145 TRP 3.00 1.20 1 146 LEU 5.51 3.24 1 147 LEU 5.85 4.33 1 149 ILE 7.33 5.39 1 150 PHE 7.29 4.58 1 151 ILE 5.97 3.38 1 152 ALA 5.38 5.45 1 153 TYR 4.00 2.88 1 154 LEU 5.88 3.78 1 155 ILE 7.25 5.00 1 156 VAL 6.24 2.18 1 157 ALA 7.13 4.44 1 158 VAL 3.99 2.36 1 159 LEU 7.46 4.73 1 160 VAL 7.51 5.03 1 161 VAL 4.85 2.76 1 162 ILE 2.37 1.83 1 163 SER 1.43 0.22 1 166 PHE 0.37 -0.36 1 167 LYS -0.02 -0.32 1 168 ALA 0.48 0.02 1 172 ASP 1.63 0.69 1 173 LEU 0.50 -0.47 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15966_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -5.29 _LACS_plot.Line_1_terminator_val_y_1 2.70 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.64 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.12 _LACS_plot.Line_2_terminator_val_x_2 7.58 _LACS_plot.Line_2_terminator_val_y_2 -2.68 _LACS_plot.Y_axis_chem_shift_offset 0.46 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 134 GLN -3.90 5.95 0 10 GLN 0.18 -0.21 1 12 ARG 4.48 -0.52 1 14 ALA 5.05 -2.15 1 15 TRP 2.69 -1.03 1 16 LEU 4.09 -1.89 1 17 LEU 4.65 -2.08 1 18 MET 6.09 -1.43 1 19 ALA 4.99 -2.17 1 20 PHE 5.55 -1.69 1 21 THR 5.14 -1.27 1 22 ALA 4.26 -2.11 1 23 LEU 4.08 -1.53 1 24 ALA 5.25 -2.79 1 25 LEU 2.77 0.06 1 26 GLU 5.18 -3.69 1 27 LEU 4.68 -2.17 1 29 ALA 5.93 -2.81 1 30 LEU 3.82 -1.75 1 31 TRP 6.20 -1.84 1 32 PHE 5.20 -1.89 1 33 GLN 0.86 0.01 1 34 HIS 0.91 2.54 1 35 VAL 4.93 -3.22 1 36 MET 1.34 -1.64 1 37 LEU 6.62 -6.16 1 38 LEU 0.90 -1.99 1 39 LYS -0.12 -0.13 1 42 VAL 6.96 -2.38 1 43 LEU 6.41 -3.33 1 44 SER 4.50 -2.01 1 45 ILE 6.89 -6.04 1 46 TYR 3.29 -2.25 1 47 GLU 5.93 -3.16 1 48 ARG 5.34 -1.69 1 49 ALA 6.26 -2.83 1 50 ALA 6.05 -3.04 1 51 LEU 3.32 -1.40 1 52 PHE 5.72 -1.72 1 54 VAL 7.59 -2.79 1 55 LEU 5.03 -1.42 1 57 ALA 4.40 -1.72 1 58 ALA 3.73 -1.78 1 59 LEU 4.37 -2.17 1 60 ILE 5.52 -2.41 1 62 ALA 1.36 -0.83 1 63 ILE 6.59 -1.77 1 64 ALA 0.36 0.07 1 66 LYS 2.80 -1.84 1 67 THR 0.44 -0.06 1 69 LEU 4.48 -2.38 1 70 ARG 5.84 -3.29 1 71 TYR 2.69 -2.00 1 72 VAL 5.99 -2.40 1 73 ALA 3.50 -0.58 1 74 MET 5.48 -0.35 1 75 VAL 7.00 -2.35 1 76 ILE 5.76 -1.51 1 77 TRP 0.68 0.28 1 78 LEU 3.62 -0.19 1 79 TYR 4.49 0.13 1 80 SER 6.24 -1.22 1 81 ALA 4.36 -2.07 1 82 PHE 5.21 -1.38 1 83 ARG 4.66 -4.22 1 85 VAL 7.13 -2.77 1 86 GLN 5.10 -0.65 1 88 THR 4.72 -1.61 1 89 TYR 5.77 -1.37 1 90 GLU 4.48 -1.69 1 91 HIS -1.96 4.19 1 92 THR 6.94 -1.55 1 93 MET 4.43 -2.48 1 94 LEU 3.43 -1.48 1 95 GLN 3.01 -1.20 1 96 LEU 1.01 0.19 1 97 TYR -0.46 -0.63 1 99 SER -2.99 -0.06 1 101 PHE -0.23 -1.01 1 102 ALA 0.00 -0.26 1 103 THR 0.10 -0.58 1 104 SER 0.02 -0.41 1 105 ASP -0.15 -0.32 1 106 PHE -0.31 -0.90 1 107 MET -2.12 0.94 1 108 VAL 0.83 -1.28 1 109 ARG -1.18 -0.59 1 110 PHE 2.20 -0.95 1 112 GLU 3.29 -1.16 1 113 TRP -2.25 -1.65 1 114 LEU -0.60 -0.46 1 116 LEU 6.37 -3.45 1 117 ASP 4.53 -3.11 1 118 LYS 2.50 -1.86 1 119 TRP -0.88 0.60 1 120 VAL 0.22 -1.57 1 122 GLN 4.79 -2.30 1 123 VAL -1.89 1.21 1 124 PHE 1.62 -1.05 1 125 VAL 1.19 -0.84 1 126 ALA -3.97 1.97 1 127 SER -1.48 1.10 1 129 ASP -4.03 2.48 1 131 ALA 1.36 -0.37 1 132 GLU 0.06 -0.21 1 133 ARG 2.92 -2.32 1 135 TRP 1.08 1.50 1 136 ASP -5.29 2.84 1 137 PHE -2.81 1.85 1 138 LEU 4.23 -4.04 1 140 LEU -0.35 -1.02 1 141 GLU -2.18 0.76 1 142 MET 5.17 -1.30 1 144 GLN 3.17 0.00 1 145 TRP 3.00 -1.80 1 146 LEU 5.51 -2.27 1 147 LEU 5.85 -1.52 1 149 ILE 7.33 -1.94 1 150 PHE 7.29 -2.71 1 151 ILE 5.97 -2.59 1 152 ALA 5.38 0.07 1 153 TYR 4.00 -1.12 1 154 LEU 5.88 -2.10 1 155 ILE 7.25 -2.25 1 156 VAL 6.24 -4.06 1 157 ALA 7.13 -2.69 1 158 VAL 3.99 -1.63 1 159 LEU 7.46 -2.73 1 160 VAL 7.51 -2.48 1 161 VAL 4.85 -2.09 1 162 ILE 2.37 -0.54 1 163 SER 1.43 -1.21 1 166 PHE 0.37 -0.73 1 167 LYS -0.02 -0.30 1 168 ALA 0.48 -0.46 1 172 ASP 1.63 -0.94 1 173 LEU 0.50 -0.97 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15966_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -5.29 _LACS_plot.Line_1_terminator_val_y_1 -2.09 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.40 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.77 _LACS_plot.Line_2_terminator_val_x_2 7.58 _LACS_plot.Line_2_terminator_val_y_2 1.92 _LACS_plot.Y_axis_chem_shift_offset 0.25 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 136 ASP -5.29 -3.95 0 91 HIS -1.96 3.52 0 129 ASP -4.03 2.45 0 10 GLN 0.18 -1.45 1 12 ARG 4.48 2.26 1 14 ALA 5.05 0.72 1 15 TRP 2.69 2.76 1 16 LEU 4.09 1.27 1 17 LEU 4.65 1.28 1 18 MET 6.09 3.84 1 19 ALA 4.99 0.43 1 20 PHE 5.55 1.31 1 21 THR 5.14 -0.32 1 22 ALA 4.26 1.75 1 23 LEU 4.08 0.45 1 24 ALA 5.25 2.92 1 25 LEU 2.77 1.21 1 26 GLU 5.18 2.96 1 27 LEU 4.68 0.81 1 29 ALA 5.93 1.71 1 30 LEU 3.82 1.16 1 31 TRP 6.20 3.03 1 32 PHE 5.20 1.36 1 33 GLN 0.86 1.16 1 34 HIS 0.91 1.46 1 35 VAL 4.93 0.34 1 36 MET 1.34 -1.09 1 37 LEU 6.62 -0.67 1 38 LEU 0.90 -0.84 1 39 LYS -0.12 0.52 1 42 VAL 6.96 -0.38 1 43 LEU 6.41 0.52 1 44 SER 4.50 1.57 1 45 ILE 6.89 2.79 1 46 TYR 3.29 2.93 1 47 GLU 5.93 2.96 1 48 ARG 5.34 4.92 1 49 ALA 6.26 -0.17 1 50 ALA 6.05 2.15 1 51 LEU 3.32 0.52 1 52 PHE 5.72 2.76 1 54 VAL 7.59 0.66 1 55 LEU 5.03 0.61 1 57 ALA 4.40 0.90 1 58 ALA 3.73 1.32 1 59 LEU 4.37 0.37 1 60 ILE 5.52 2.99 1 62 ALA 1.36 -0.31 1 63 ILE 6.59 0.25 1 66 LYS 2.80 0.44 1 67 THR 0.44 0.81 1 69 LEU 4.48 1.52 1 70 ARG 5.84 1.02 1 71 TYR 2.69 2.75 1 72 VAL 5.99 1.39 1 73 ALA 3.50 1.98 1 74 MET 5.48 0.99 1 75 VAL 7.00 0.66 1 76 ILE 5.76 2.31 1 77 TRP 0.68 1.09 1 78 LEU 3.62 0.32 1 79 TYR 4.49 1.22 1 80 SER 6.24 1.50 1 81 ALA 4.36 0.66 1 82 PHE 5.21 1.36 1 83 ARG 4.66 2.72 1 85 VAL 7.13 0.09 1 86 GLN 5.10 3.93 1 88 THR 4.72 4.66 1 89 TYR 5.77 0.75 1 90 GLU 4.48 2.19 1 92 THR 6.94 2.01 1 93 MET 4.43 2.60 1 94 LEU 3.43 0.36 1 95 GLN 3.01 2.28 1 96 LEU 1.01 -0.92 1 97 TYR -0.46 -2.33 1 99 SER -2.99 -0.81 1 101 PHE -0.23 -0.52 1 102 ALA 0.00 -0.10 1 103 THR 0.10 -0.12 1 104 SER 0.02 -0.89 1 105 ASP -0.15 -0.77 1 106 PHE -0.31 -0.91 1 107 MET -2.12 -1.14 1 108 VAL 0.83 -1.15 1 109 ARG -1.18 -1.60 1 110 PHE 2.20 -1.12 1 112 GLU 3.29 -0.17 1 113 TRP -2.25 -1.89 1 114 LEU -0.60 -3.88 1 116 LEU 6.37 -0.91 1 117 ASP 4.53 0.26 1 118 LYS 2.50 2.26 1 119 TRP -0.88 0.63 1 120 VAL 0.22 -1.23 1 122 GLN 4.79 -1.68 1 123 VAL -1.89 -0.54 1 124 PHE 1.62 -3.08 1 125 VAL 1.19 -0.18 1 126 ALA -3.97 -0.65 1 127 SER -1.48 -1.20 1 131 ALA 1.36 -0.05 1 132 GLU 0.06 0.97 1 133 ARG 2.92 -0.15 1 134 GLN -3.90 -0.78 1 135 TRP 1.08 -3.94 1 137 PHE -2.81 0.36 1 138 LEU 4.23 -2.27 1 140 LEU -0.35 -1.15 1 141 GLU -2.18 2.43 1 142 MET 5.17 1.84 1 144 GLN 3.17 2.61 1 145 TRP 3.00 -0.63 1 146 LEU 5.51 1.04 1 147 LEU 5.85 1.34 1 149 ILE 7.33 3.08 1 150 PHE 7.29 0.87 1 151 ILE 5.97 1.51 1 152 ALA 5.38 3.66 1 153 TYR 4.00 -0.29 1 154 LEU 5.88 1.31 1 155 ILE 7.25 0.10 1 156 VAL 6.24 1.50 1 157 ALA 7.13 1.26 1 158 VAL 3.99 1.09 1 159 LEU 7.46 3.91 1 160 VAL 7.51 2.03 1 161 VAL 4.85 -0.61 1 162 ILE 2.37 1.28 1 163 SER 1.43 -0.76 1 166 PHE 0.37 -0.35 1 167 LYS -0.02 -0.49 1 168 ALA 0.48 0.14 1 172 ASP 1.63 -0.75 1 173 LEU 0.50 0.46 1 stop_ save_