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 bmr27959_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.63 _LACS_plot.Line_1_terminator_val_y_1 -3.96 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.17 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.94 _LACS_plot.Line_2_terminator_val_x_2 7.43 _LACS_plot.Line_2_terminator_val_y_2 5.33 _LACS_plot.Y_axis_chem_shift_offset -0.30 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 48 ILE 3.40 -1.82 0 10 VAL -1.99 -0.24 1 11 VAL -4.04 -2.31 1 21 ASP 0.45 1.40 1 22 LEU 3.39 3.08 1 23 LYS 6.28 4.54 1 24 GLU 2.88 2.47 1 25 THR 6.18 5.00 1 26 VAL 6.58 4.66 1 27 LYS 5.80 4.99 1 28 LYS 4.52 3.53 1 29 ILE 4.46 4.33 1 30 LEU 2.58 2.44 1 31 MET 3.80 4.91 1 32 GLU 2.61 2.10 1 33 LYS 2.04 2.91 1 34 TYR -1.78 0.58 1 35 GLU 3.88 2.83 1 44 PHE -3.48 -1.08 1 45 VAL 4.47 2.05 1 46 LEU -0.64 1.44 1 47 SER -4.08 -1.58 1 49 VAL 2.56 2.46 1 50 ASP -3.79 -1.06 1 51 VAL 0.54 0.40 1 52 LYS 0.89 0.45 1 53 ASP -3.33 0.35 1 54 ILE -1.68 0.09 1 56 GLU -0.02 0.31 1 66 ALA -6.23 -2.57 1 68 HIS -1.41 -2.82 1 70 VAL -6.80 -3.00 1 71 VAL -2.49 -0.85 1 72 PHE -6.19 -2.98 1 73 GLU -7.50 -2.98 1 74 THR -4.07 -2.89 1 75 LEU -2.83 -1.23 1 76 VAL -5.76 -3.57 1 77 TYR -4.21 -1.80 1 78 ILE -7.82 -4.51 1 80 GLU -5.09 -2.45 1 81 MET 3.36 0.10 1 83 GLU -1.69 0.23 1 84 LEU -2.50 -1.21 1 85 ILE -8.63 -4.24 1 86 GLU -5.95 -2.67 1 88 GLU -7.08 -3.20 1 89 VAL 3.05 1.38 1 90 VAL -1.16 -0.87 1 91 ASP -1.89 0.59 1 92 VAL -1.12 0.54 1 93 VAL -6.51 -3.47 1 94 GLU 2.87 2.25 1 95 PHE -1.19 -2.82 1 97 SER -6.24 -3.21 1 98 PHE -1.54 -0.03 1 99 VAL -4.78 -2.65 1 100 ARG 1.52 1.41 1 101 LEU -1.78 -1.50 1 104 LEU -6.39 -2.50 1 105 ASP -3.31 -1.73 1 107 LEU -4.24 -1.61 1 108 ILE -0.79 -1.78 1 109 HIS 1.81 4.49 1 110 VAL 3.41 2.18 1 111 SER 1.05 1.85 1 112 GLN -0.71 -1.29 1 113 ILE 2.67 2.74 1 114 MET -4.07 -0.92 1 115 ASP 0.38 -1.84 1 116 ASP -3.68 -2.38 1 117 TYR 0.60 0.34 1 118 VAL -5.77 -3.48 1 119 SER -3.73 -1.44 1 120 TYR -3.05 -2.06 1 121 ASP -4.84 -2.90 1 123 LYS 3.07 1.98 1 124 ARG -1.39 -0.11 1 125 GLU 3.59 0.69 1 126 ALA -7.78 -2.37 1 127 ILE -2.28 -1.73 1 128 ILE -4.51 -1.73 1 130 LYS 2.06 3.72 1 131 GLU 0.77 1.44 1 132 THR -0.49 1.18 1 134 LYS 1.02 1.73 1 135 VAL -4.37 -1.49 1 136 LEU -5.61 -1.67 1 137 GLU -6.52 -2.51 1 138 ILE 5.23 3.63 1 140 ASP 0.75 0.96 1 141 TYR -3.39 -4.15 1 142 VAL -7.02 -4.41 1 143 ARG -3.46 -0.94 1 144 ALA -6.47 -2.22 1 145 ARG -4.82 -2.08 1 146 ILE 3.46 2.42 1 147 VAL -2.13 -1.76 1 148 ALA -0.81 1.46 1 149 ILE -4.72 -0.20 1 162 ALA -4.92 -1.77 1 163 LEU -7.50 -2.53 1 164 THR -2.46 -1.97 1 165 MET 0.04 0.74 1 166 ARG 1.01 -1.36 1 167 GLN -2.80 -0.98 1 169 TYR 0.83 -0.28 1 170 LEU -2.92 -2.46 1 172 LYS 1.17 0.05 1 173 LEU 7.43 4.28 1 174 GLU 3.92 3.96 1 175 TRP 0.71 -0.50 1 176 ILE 4.14 4.23 1 177 GLU 3.14 2.76 1 178 GLU 3.21 2.74 1 179 GLU 4.59 2.85 1 181 ALA 2.84 1.84 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27959_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.63 _LACS_plot.Line_1_terminator_val_y_1 4.67 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.83 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 1.06 _LACS_plot.Line_2_terminator_val_x_2 7.43 _LACS_plot.Line_2_terminator_val_y_2 -2.10 _LACS_plot.Y_axis_chem_shift_offset -0.30 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 48 ILE 3.40 -5.22 0 10 VAL -1.99 1.75 1 11 VAL -4.04 1.73 1 21 ASP 0.45 0.95 1 22 LEU 3.39 -0.31 1 23 LYS 6.28 -1.74 1 24 GLU 2.88 -0.41 1 25 THR 6.18 -1.18 1 26 VAL 6.58 -1.92 1 27 LYS 5.80 -0.81 1 28 LYS 4.52 -0.99 1 29 ILE 4.46 -0.13 1 30 LEU 2.58 -0.14 1 31 MET 3.80 1.11 1 32 GLU 2.61 -0.51 1 33 LYS 2.04 0.87 1 34 TYR -1.78 2.36 1 35 GLU 3.88 -1.05 1 44 PHE -3.48 2.40 1 45 VAL 4.47 -2.42 1 46 LEU -0.64 2.08 1 47 SER -4.08 2.50 1 49 VAL 2.56 -0.10 1 50 ASP -3.79 2.73 1 51 VAL 0.54 -0.14 1 52 LYS 0.89 -0.44 1 53 ASP -3.33 3.68 1 54 ILE -1.68 1.77 1 56 GLU -0.02 0.33 1 66 ALA -6.23 3.66 1 68 HIS -1.41 -1.41 1 70 VAL -6.80 3.80 1 71 VAL -2.49 1.64 1 72 PHE -6.19 3.21 1 73 GLU -7.50 4.52 1 74 THR -4.07 1.18 1 75 LEU -2.83 1.60 1 76 VAL -5.76 2.19 1 77 TYR -4.21 2.41 1 78 ILE -7.82 3.31 1 80 GLU -5.09 2.64 1 81 MET 3.36 -3.26 1 83 GLU -1.69 1.92 1 84 LEU -2.50 1.29 1 85 ILE -8.63 4.39 1 86 GLU -5.95 3.28 1 88 GLU -7.08 3.88 1 89 VAL 3.05 -1.67 1 90 VAL -1.16 0.29 1 91 ASP -1.89 2.48 1 92 VAL -1.12 1.66 1 93 VAL -6.51 3.04 1 94 GLU 2.87 -0.62 1 95 PHE -1.19 -1.63 1 97 SER -6.24 3.03 1 98 PHE -1.54 1.51 1 99 VAL -4.78 2.13 1 100 ARG 1.52 -0.11 1 101 LEU -1.78 0.28 1 104 LEU -6.39 3.89 1 105 ASP -3.31 1.58 1 107 LEU -4.24 2.63 1 108 ILE -0.79 -0.99 1 109 HIS 1.81 2.68 1 110 VAL 3.41 -1.23 1 111 SER 1.05 0.80 1 112 GLN -0.71 -0.58 1 113 ILE 2.67 0.07 1 114 MET -4.07 3.15 1 115 ASP 0.38 -2.22 1 116 ASP -3.68 1.30 1 117 TYR 0.60 -0.26 1 118 VAL -5.77 2.29 1 119 SER -3.73 2.29 1 120 TYR -3.05 0.99 1 121 ASP -4.84 1.94 1 123 LYS 3.07 -1.09 1 124 ARG -1.39 1.28 1 125 GLU 3.59 -2.90 1 126 ALA -7.78 5.41 1 127 ILE -2.28 0.55 1 128 ILE -4.51 2.78 1 130 LYS 2.06 1.66 1 131 GLU 0.77 0.67 1 132 THR -0.49 1.67 1 134 LYS 1.02 0.71 1 135 VAL -4.37 2.88 1 136 LEU -5.61 3.94 1 137 GLU -6.52 4.01 1 138 ILE 5.23 -1.60 1 140 ASP 0.75 0.21 1 141 TYR -3.39 -0.76 1 142 VAL -7.02 2.61 1 143 ARG -3.46 2.52 1 144 ALA -6.47 4.25 1 145 ARG -4.82 2.74 1 146 ILE 3.46 -1.04 1 147 VAL -2.13 0.37 1 148 ALA -0.81 2.27 1 149 ILE -4.72 4.52 1 162 ALA -4.92 3.15 1 163 LEU -7.50 4.97 1 164 THR -2.46 0.49 1 165 MET 0.04 0.70 1 166 ARG 1.01 -2.37 1 167 GLN -2.80 1.82 1 169 TYR 0.83 -1.11 1 170 LEU -2.92 0.46 1 172 LYS 1.17 -1.12 1 173 LEU 7.43 -3.15 1 174 GLU 3.92 0.04 1 175 TRP 0.71 -1.21 1 176 ILE 4.14 0.09 1 177 GLU 3.14 -0.38 1 178 GLU 3.21 -0.47 1 179 GLU 4.59 -1.74 1 181 ALA 2.84 -1.00 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27959_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -8.63 _LACS_plot.Line_1_terminator_val_y_1 1.04 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.17 _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 6.57 _LACS_plot.Line_2_terminator_val_y_2 -0.69 _LACS_plot.Y_axis_chem_shift_offset -0.06 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 147 VAL -2.13 -1.64 0 54 ILE -1.68 -1.87 0 10 VAL -1.99 0.70 1 11 VAL -4.04 0.34 1 22 LEU 3.39 -0.35 1 23 LYS 6.28 -0.62 1 25 THR 6.18 -0.55 1 26 VAL 6.58 -0.67 1 27 LYS 5.80 -0.81 1 28 LYS 4.52 -0.22 1 29 ILE 4.46 -0.51 1 30 LEU 2.58 -0.59 1 33 LYS 2.04 -0.39 1 34 TYR -1.78 0.33 1 35 GLU 3.88 -0.67 1 45 VAL 4.47 -0.15 1 46 LEU -0.64 0.23 1 47 SER -4.08 0.72 1 48 ILE 3.40 0.31 1 49 VAL 2.56 -0.32 1 50 ASP -3.79 0.13 1 51 VAL 0.54 0.05 1 52 LYS 0.89 -0.09 1 53 ASP -3.33 0.08 1 56 GLU -0.02 0.53 1 66 ALA -6.23 0.44 1 70 VAL -6.80 1.18 1 71 VAL -2.49 1.08 1 72 PHE -6.19 0.80 1 73 GLU -7.50 1.32 1 74 THR -4.07 1.08 1 75 LEU -2.83 1.06 1 76 VAL -5.76 1.44 1 80 GLU -5.09 0.10 1 81 MET 3.36 -0.78 1 83 GLU -1.69 -0.27 1 84 LEU -2.50 0.32 1 85 ILE -8.63 0.99 1 88 GLU -7.08 0.90 1 89 VAL 3.05 0.15 1 90 VAL -1.16 0.52 1 92 VAL -1.12 0.16 1 94 GLU 2.87 -1.25 1 95 PHE -1.19 0.00 1 97 SER -6.24 0.64 1 98 PHE -1.54 0.67 1 99 VAL -4.78 0.58 1 100 ARG 1.52 0.45 1 101 LEU -1.78 -0.34 1 104 LEU -6.39 0.07 1 105 ASP -3.31 0.72 1 107 LEU -4.24 0.27 1 108 ILE -0.79 -0.27 1 109 HIS 1.81 -0.27 1 110 VAL 3.41 -0.42 1 111 SER 1.05 0.01 1 112 GLN -0.71 -0.15 1 113 ILE 2.67 -0.35 1 114 MET -4.07 0.02 1 115 ASP 0.38 -0.02 1 116 ASP -3.68 -0.21 1 117 TYR 0.60 0.07 1 119 SER -3.73 0.21 1 120 TYR -3.05 0.56 1 121 ASP -4.84 -0.01 1 123 LYS 3.07 -0.20 1 124 ARG -1.39 -0.29 1 125 GLU 3.59 -0.73 1 126 ALA -7.78 0.98 1 127 ILE -2.28 0.67 1 128 ILE -4.51 0.82 1 130 LYS 2.06 -0.47 1 131 GLU 0.77 0.02 1 132 THR -0.49 -0.20 1 134 LYS 1.02 -0.43 1 135 VAL -4.37 0.91 1 136 LEU -5.61 0.64 1 137 GLU -6.52 0.58 1 138 ILE 5.23 -0.84 1 140 ASP 0.75 0.75 1 141 TYR -3.39 1.36 1 142 VAL -7.02 0.74 1 143 ARG -3.46 0.24 1 144 ALA -6.47 0.61 1 145 ARG -4.82 1.16 1 146 ILE 3.46 0.11 1 148 ALA -0.81 0.08 1 149 ILE -4.72 0.50 1 162 ALA -4.92 0.85 1 163 LEU -7.50 1.16 1 164 THR -2.46 0.76 1 165 MET 0.04 0.23 1 166 ARG 1.01 0.13 1 167 GLN -2.80 -0.03 1 169 TYR 0.83 -0.40 1 170 LEU -2.92 0.36 1 172 LYS 1.17 0.01 1 174 GLU 3.92 0.22 1 175 TRP 0.71 0.24 1 176 ILE 4.14 -0.29 1 178 GLU 3.21 -0.24 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27959_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -8.63 _LACS_plot.Line_1_terminator_val_y_1 -2.65 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.29 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.88 _LACS_plot.Line_2_terminator_val_x_2 7.43 _LACS_plot.Line_2_terminator_val_y_2 2.00 _LACS_plot.Y_axis_chem_shift_offset 0.27 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 125 GLU 3.59 -3.44 0 10 VAL -1.99 -0.82 1 11 VAL -4.04 -1.14 1 21 ASP 0.45 1.33 1 22 LEU 3.39 0.07 1 23 LYS 6.28 2.18 1 24 GLU 2.88 2.85 1 25 THR 6.18 1.70 1 26 VAL 6.58 0.79 1 27 LYS 5.80 0.93 1 28 LYS 4.52 2.64 1 29 ILE 4.46 2.74 1 30 LEU 2.58 1.31 1 31 MET 3.80 1.76 1 32 GLU 2.61 1.64 1 33 LYS 2.04 1.67 1 34 TYR -1.78 1.14 1 35 GLU 3.88 2.38 1 44 PHE -3.48 0.58 1 45 VAL 4.47 -1.54 1 46 LEU -0.64 -0.89 1 47 SER -4.08 2.00 1 48 ILE 3.40 -1.60 1 49 VAL 2.56 -0.46 1 50 ASP -3.79 -1.44 1 51 VAL 0.54 -2.16 1 52 LYS 0.89 -0.72 1 53 ASP -3.33 -2.15 1 54 ILE -1.68 -0.24 1 56 GLU -0.02 -0.38 1 68 HIS -1.41 0.40 1 70 VAL -6.80 -1.56 1 71 VAL -2.49 -0.47 1 72 PHE -6.19 -4.36 1 73 GLU -7.50 0.60 1 74 THR -4.07 -4.01 1 75 LEU -2.83 -2.53 1 76 VAL -5.76 -1.89 1 77 TYR -4.21 -2.88 1 78 ILE -7.82 -3.49 1 80 GLU -5.09 -1.17 1 81 MET 3.36 1.25 1 83 GLU -1.69 -1.38 1 84 LEU -2.50 -2.32 1 85 ILE -8.63 -0.97 1 86 GLU -5.95 -1.07 1 88 GLU -7.08 -1.01 1 89 VAL 3.05 0.81 1 90 VAL -1.16 -1.12 1 91 ASP -1.89 -1.68 1 92 VAL -1.12 -3.72 1 93 VAL -6.51 -0.91 1 94 GLU 2.87 -0.94 1 95 PHE -1.19 -0.45 1 97 SER -6.24 -1.10 1 98 PHE -1.54 -0.03 1 99 VAL -4.78 -2.07 1 100 ARG 1.52 -0.48 1 101 LEU -1.78 -2.29 1 104 LEU -6.39 -3.30 1 105 ASP -3.31 0.20 1 107 LEU -4.24 -1.66 1 108 ILE -0.79 -1.41 1 109 HIS 1.81 2.58 1 110 VAL 3.41 -2.70 1 111 SER 1.05 0.77 1 112 GLN -0.71 -1.99 1 113 ILE 2.67 -2.15 1 114 MET -4.07 -3.62 1 115 ASP 0.38 -2.04 1 116 ASP -3.68 -1.43 1 117 TYR 0.60 0.15 1 118 VAL -5.77 -0.46 1 119 SER -3.73 -2.55 1 120 TYR -3.05 -1.96 1 121 ASP -4.84 -0.25 1 123 LYS 3.07 1.48 1 124 ARG -1.39 -0.93 1 126 ALA -7.78 -2.39 1 127 ILE -2.28 -1.98 1 128 ILE -4.51 0.51 1 130 LYS 2.06 0.97 1 131 GLU 0.77 3.15 1 132 THR -0.49 2.79 1 134 LYS 1.02 -1.37 1 135 VAL -4.37 -2.06 1 136 LEU -5.61 -3.69 1 137 GLU -6.52 -1.49 1 138 ILE 5.23 1.04 1 140 ASP 0.75 -1.02 1 141 TYR -3.39 0.80 1 142 VAL -7.02 -2.40 1 143 ARG -3.46 -1.69 1 144 ALA -6.47 -5.04 1 145 ARG -4.82 -0.70 1 146 ILE 3.46 -0.83 1 147 VAL -2.13 -0.74 1 148 ALA -0.81 -2.50 1 149 ILE -4.72 -1.18 1 162 ALA -4.92 -0.89 1 163 LEU -7.50 -1.61 1 164 THR -2.46 -2.21 1 165 MET 0.04 -0.99 1 166 ARG 1.01 -0.35 1 167 GLN -2.80 -1.59 1 169 TYR 0.83 -2.37 1 170 LEU -2.92 -0.99 1 172 LYS 1.17 1.72 1 173 LEU 7.43 2.29 1 174 GLU 3.92 2.79 1 175 TRP 0.71 3.28 1 176 ILE 4.14 2.65 1 177 GLU 3.14 2.51 1 178 GLU 3.21 3.00 1 179 GLU 4.59 2.43 1 181 ALA 2.84 -2.56 1 stop_ save_