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 bmr26642_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.66 _LACS_plot.Line_1_terminator_val_y_1 -4.91 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.59 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -2.76 _LACS_plot.Line_2_terminator_val_x_2 9.29 _LACS_plot.Line_2_terminator_val_y_2 5.04 _LACS_plot.Y_axis_chem_shift_offset 1.43 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 167 LYS 1.01 -3.51 0 37 LEU -7.66 -4.22 0 165 TYR 0.88 -3.62 0 175 LYS 5.19 -1.00 0 135 LYS 5.25 -0.96 0 126 HIS 4.05 4.41 0 67 HIS 5.03 4.90 0 11 SER -0.11 -1.80 1 12 PHE -0.12 -1.25 1 14 ILE 6.41 3.13 1 15 ALA -1.74 0.18 1 17 ILE -4.68 -5.78 1 18 TYR -2.12 -3.12 1 19 ASP -1.20 -3.18 1 20 THR 2.57 0.65 1 21 THR 4.48 1.36 1 22 THR -1.44 -2.11 1 23 ASP 3.45 -0.05 1 24 ASN -4.66 -2.97 1 25 LYS -2.90 -3.08 1 27 SER -2.28 -2.97 1 28 ILE 5.86 3.17 1 29 LYS 4.12 1.94 1 30 THR 5.88 2.86 1 31 ALA 2.22 1.05 1 32 VAL 4.68 1.88 1 33 ALA 3.99 1.01 1 34 LYS 0.57 -1.82 1 35 ASN 3.84 0.19 1 36 MET -1.03 -0.09 1 38 ASP 0.64 -1.02 1 40 ILE 5.82 1.62 1 43 GLN 4.84 1.83 1 44 LYS 4.19 1.77 1 45 LEU 3.34 1.28 1 46 LEU 3.40 1.76 1 47 GLU 3.95 2.24 1 48 ALA 1.39 0.44 1 49 GLN 6.46 1.50 1 50 ALA 4.61 1.47 1 51 ALA 1.19 -0.28 1 52 THR -1.72 -3.50 1 55 ILE 1.04 -3.12 1 56 VAL -0.87 -1.12 1 57 ASP -3.19 -3.10 1 58 LEU 1.87 0.31 1 59 LEU 2.43 -0.18 1 60 SER -1.99 -1.98 1 61 ARG 4.99 1.20 1 62 GLU -2.42 -2.17 1 63 ARG -4.29 -3.86 1 64 TYR -4.63 -2.09 1 65 SER -0.89 -2.45 1 66 VAL 7.09 4.39 1 68 LYS 3.33 0.23 1 69 ALA 3.50 0.78 1 70 MET 4.12 2.31 1 71 GLU 3.00 1.23 1 72 ARG -0.15 -1.64 1 74 LEU -0.17 -0.49 1 75 ILE -5.78 -4.23 1 76 GLU -2.15 -2.87 1 78 THR -0.01 -1.60 1 79 SER 1.46 -1.34 1 80 THR 5.04 2.57 1 82 ARG 4.18 1.70 1 83 LEU 3.01 1.09 1 84 LEU 4.11 1.08 1 85 ASN 4.52 1.64 1 86 ALA 2.86 0.68 1 88 LYS 3.73 1.16 1 89 ALA 3.16 -0.09 1 90 PHE 1.28 0.16 1 91 THR 0.93 -0.05 1 93 ILE -4.90 -3.53 1 94 GLU -2.01 -2.30 1 95 ASP -2.78 -2.19 1 98 THR -0.22 -0.90 1 99 LYS 5.52 -0.43 1 100 LYS -0.71 -1.94 1 101 ARG 0.26 -2.20 1 102 LEU -3.28 -3.03 1 103 SER -0.75 -1.69 1 104 VAL 5.58 1.88 1 106 GLU 1.61 1.00 1 107 ALA 3.37 1.07 1 108 VAL 4.13 1.39 1 109 GLN 3.07 1.85 1 110 LYS 1.01 -1.52 1 112 TRP -1.59 -2.90 1 113 MET -4.35 -2.08 1 115 ARG 4.66 2.47 1 116 GLU 4.60 1.41 1 117 SER 2.01 -0.08 1 118 VAL -1.39 -2.02 1 119 LEU 9.29 5.49 1 121 HIS -0.71 -0.13 1 122 LEU 2.33 0.66 1 123 GLN 5.44 2.17 1 124 VAL 6.16 2.41 1 125 GLN 7.52 2.63 1 127 LEU 1.35 0.07 1 128 THR -1.00 -2.97 1 131 LEU 1.39 -1.23 1 132 ILE -1.03 -1.96 1 133 ASP -4.84 -4.13 1 136 ARG -4.01 -2.74 1 137 THR 0.59 -1.02 1 139 ARG -4.39 -4.60 1 140 ILE -1.88 -3.10 1 143 GLN 5.67 2.39 1 144 GLN 3.53 0.75 1 145 ALA 2.92 0.73 1 146 LEU 2.71 0.97 1 147 LEU 3.14 1.08 1 148 SER 0.46 -1.21 1 150 MET 1.61 1.59 1 151 ILE -6.58 -4.87 1 152 SER -4.31 -4.28 1 153 GLU 4.25 1.91 1 154 GLU 3.52 1.37 1 155 LEU 2.94 0.94 1 156 ALA 4.37 1.82 1 157 GLN 4.65 1.66 1 158 LEU 2.42 0.86 1 159 LEU 1.86 0.23 1 160 GLN 0.86 -0.29 1 161 ASP -0.26 -3.50 1 162 GLU 2.32 -0.01 1 163 SER 3.84 0.78 1 164 SER 0.24 -1.46 1 166 GLU 0.48 -0.89 1 168 ASP -0.88 -2.92 1 169 LEU -2.00 -3.24 1 170 THR 0.65 -1.28 1 171 ASP -1.69 -1.68 1 173 ILE 3.73 0.25 1 174 SER 0.40 -0.30 1 176 GLU -1.99 -1.91 1 177 ARG 0.16 -2.94 1 178 LEU -6.21 -3.55 1 179 SER -4.33 -3.65 1 180 TYR 6.31 3.50 1 181 LYS 3.65 1.85 1 182 GLU 0.98 0.44 1 183 ALA 5.01 1.21 1 184 MET 4.74 3.88 1 186 ARG -0.02 -2.25 1 188 ARG -3.68 -3.73 1 189 LYS -0.67 -2.77 1 190 ASP -1.44 -1.68 1 192 LEU 1.87 -0.19 1 193 SER -0.93 -0.99 1 195 LEU -0.74 -2.29 1 196 LEU -1.54 -2.18 1 197 LEU -6.44 -4.73 1 198 LEU -2.55 -2.01 1 200 ALA -5.79 -3.14 1 201 ALA -1.17 -0.41 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26642_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.66 _LACS_plot.Line_1_terminator_val_y_1 2.75 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -2.59 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.76 _LACS_plot.Line_2_terminator_val_x_2 9.29 _LACS_plot.Line_2_terminator_val_y_2 -4.25 _LACS_plot.Y_axis_chem_shift_offset 1.43 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 167 LYS 1.01 -4.52 0 37 LEU -7.66 3.44 0 165 TYR 0.88 -4.50 0 175 LYS 5.19 -6.19 0 135 LYS 5.25 -6.21 0 126 HIS 4.05 0.36 0 67 HIS 5.03 -0.13 0 11 SER -0.11 -1.69 1 12 PHE -0.12 -1.13 1 14 ILE 6.41 -3.28 1 15 ALA -1.74 1.92 1 17 ILE -4.68 -1.10 1 18 TYR -2.12 -1.00 1 19 ASP -1.20 -1.98 1 20 THR 2.57 -1.92 1 21 THR 4.48 -3.12 1 22 THR -1.44 -0.67 1 23 ASP 3.45 -3.50 1 24 ASN -4.66 1.69 1 25 LYS -2.90 -0.18 1 27 SER -2.28 -0.69 1 28 ILE 5.86 -2.69 1 29 LYS 4.12 -2.18 1 30 THR 5.88 -3.02 1 31 ALA 2.22 -1.17 1 32 VAL 4.68 -2.80 1 33 ALA 3.99 -2.98 1 34 LYS 0.57 -2.39 1 35 ASN 3.84 -3.65 1 36 MET -1.03 0.94 1 38 ASP 0.64 -1.66 1 40 ILE 5.82 -4.20 1 43 GLN 4.84 -3.01 1 44 LYS 4.19 -2.42 1 45 LEU 3.34 -2.06 1 46 LEU 3.40 -1.64 1 47 GLU 3.95 -1.71 1 48 ALA 1.39 -0.95 1 49 GLN 6.46 -4.96 1 50 ALA 4.61 -3.14 1 51 ALA 1.19 -1.47 1 52 THR -1.72 -1.78 1 55 ILE 1.04 -4.16 1 56 VAL -0.87 -0.25 1 57 ASP -3.19 0.09 1 58 LEU 1.87 -1.56 1 59 LEU 2.43 -2.61 1 60 SER -1.99 0.01 1 61 ARG 4.99 -3.79 1 62 GLU -2.42 0.25 1 63 ARG -4.29 0.43 1 64 TYR -4.63 2.54 1 65 SER -0.89 -1.56 1 66 VAL 7.09 -2.70 1 68 LYS 3.33 -3.10 1 69 ALA 3.50 -2.72 1 70 MET 4.12 -1.81 1 71 GLU 3.00 -1.77 1 72 ARG -0.15 -1.49 1 74 LEU -0.17 -0.32 1 75 ILE -5.78 1.55 1 76 GLU -2.15 -0.72 1 78 THR -0.01 -1.59 1 79 SER 1.46 -2.80 1 80 THR 5.04 -2.47 1 82 ARG 4.18 -2.48 1 83 LEU 3.01 -1.92 1 84 LEU 4.11 -3.03 1 85 ASN 4.52 -2.88 1 86 ALA 2.86 -2.18 1 88 LYS 3.73 -2.57 1 89 ALA 3.16 -3.25 1 90 PHE 1.28 -1.12 1 91 THR 0.93 -0.98 1 93 ILE -4.90 1.37 1 94 GLU -2.01 -0.29 1 95 ASP -2.78 0.59 1 98 THR -0.22 -0.68 1 99 LYS 5.52 -5.95 1 100 LYS -0.71 -1.23 1 101 ARG 0.26 -2.46 1 102 LEU -3.28 0.25 1 103 SER -0.75 -0.94 1 104 VAL 5.58 -3.70 1 106 GLU 1.61 -0.61 1 107 ALA 3.37 -2.30 1 108 VAL 4.13 -2.74 1 109 GLN 3.07 -1.22 1 110 LYS 1.01 -2.53 1 112 TRP -1.59 -1.31 1 113 MET -4.35 2.27 1 115 ARG 4.66 -2.19 1 116 GLU 4.60 -3.19 1 117 SER 2.01 -2.09 1 118 VAL -1.39 -0.63 1 119 LEU 9.29 -3.80 1 121 HIS -0.71 0.58 1 122 LEU 2.33 -1.67 1 123 GLN 5.44 -3.27 1 124 VAL 6.16 -3.75 1 125 GLN 7.52 -4.89 1 127 LEU 1.35 -1.28 1 128 THR -1.00 -1.97 1 131 LEU 1.39 -2.62 1 132 ILE -1.03 -0.93 1 133 ASP -4.84 0.71 1 136 ARG -4.01 1.27 1 137 THR 0.59 -1.61 1 139 ARG -4.39 -0.21 1 140 ILE -1.88 -1.22 1 143 GLN 5.67 -3.28 1 144 GLN 3.53 -2.78 1 145 ALA 2.92 -2.19 1 146 LEU 2.71 -1.74 1 147 LEU 3.14 -2.06 1 148 SER 0.46 -1.67 1 150 MET 1.61 -0.02 1 151 ILE -6.58 1.71 1 152 SER -4.31 0.03 1 153 GLU 4.25 -2.34 1 154 GLU 3.52 -2.15 1 155 LEU 2.94 -2.00 1 156 ALA 4.37 -2.55 1 157 GLN 4.65 -2.99 1 158 LEU 2.42 -1.56 1 159 LEU 1.86 -1.63 1 160 GLN 0.86 -1.15 1 161 ASP -0.26 -3.24 1 162 GLU 2.32 -2.33 1 163 SER 3.84 -3.06 1 164 SER 0.24 -1.70 1 166 GLU 0.48 -1.37 1 168 ASP -0.88 -2.04 1 169 LEU -2.00 -1.24 1 170 THR 0.65 -1.93 1 171 ASP -1.69 0.01 1 173 ILE 3.73 -3.48 1 174 SER 0.40 -0.70 1 176 GLU -1.99 0.08 1 177 ARG 0.16 -3.10 1 178 LEU -6.21 2.66 1 179 SER -4.33 0.68 1 180 TYR 6.31 -2.81 1 181 LYS 3.65 -1.80 1 182 GLU 0.98 -0.54 1 183 ALA 5.01 -3.80 1 184 MET 4.74 -0.86 1 186 ARG -0.02 -2.23 1 188 ARG -3.68 -0.05 1 189 LYS -0.67 -2.10 1 190 ASP -1.44 -0.24 1 192 LEU 1.87 -2.06 1 193 SER -0.93 -0.06 1 195 LEU -0.74 -1.55 1 196 LEU -1.54 -0.64 1 197 LEU -6.44 1.71 1 198 LEU -2.55 0.54 1 200 ALA -5.79 2.65 1 201 ALA -1.17 0.76 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26642_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.66 _LACS_plot.Line_1_terminator_val_y_1 -0.53 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 2.92 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 1.56 _LACS_plot.Line_2_terminator_val_x_2 9.29 _LACS_plot.Line_2_terminator_val_y_2 5.28 _LACS_plot.Y_axis_chem_shift_offset -2.21 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 119 LEU 9.29 -0.06 0 11 SER -0.11 1.64 1 12 PHE -0.12 1.48 1 14 ILE 6.41 3.65 1 15 ALA -1.74 0.79 1 17 ILE -4.68 -0.37 1 18 TYR -2.12 -1.11 1 19 ASP -1.20 2.05 1 20 THR 2.57 3.33 1 21 THR 4.48 3.57 1 22 THR -1.44 1.87 1 23 ASP 3.45 -0.66 1 24 ASN -4.66 0.36 1 25 LYS -2.90 0.80 1 27 SER -2.28 2.39 1 28 ILE 5.86 2.26 1 29 LYS 4.12 4.99 1 30 THR 5.88 2.30 1 31 ALA 2.22 4.32 1 32 VAL 4.68 5.91 1 33 ALA 3.99 3.72 1 34 LYS 0.57 1.07 1 35 ASN 3.84 1.41 1 36 MET -1.03 -0.14 1 37 LEU -7.66 -1.10 1 38 ASP 0.64 1.18 1 40 ILE 5.82 3.92 1 43 GLN 4.84 4.57 1 44 LYS 4.19 6.62 1 45 LEU 3.34 5.96 1 46 LEU 3.40 3.77 1 47 GLU 3.95 3.46 1 48 ALA 1.39 4.36 1 49 GLN 6.46 4.51 1 50 ALA 4.61 3.39 1 51 ALA 1.19 1.73 1 52 THR -1.72 0.68 1 55 ILE 1.04 1.93 1 56 VAL -0.87 0.74 1 57 ASP -3.19 2.20 1 58 LEU 1.87 1.28 1 59 LEU 2.43 2.73 1 60 SER -1.99 2.68 1 61 ARG 4.99 0.25 1 62 GLU -2.42 -0.37 1 63 ARG -4.29 1.88 1 64 TYR -4.63 2.00 1 65 SER -0.89 1.25 1 66 VAL 7.09 3.13 1 67 HIS 5.03 6.83 1 68 LYS 3.33 4.00 1 69 ALA 3.50 3.86 1 70 MET 4.12 5.40 1 71 GLU 3.00 3.69 1 72 ARG -0.15 2.00 1 74 LEU -0.17 0.46 1 75 ILE -5.78 0.40 1 76 GLU -2.15 2.29 1 78 THR -0.01 2.34 1 79 SER 1.46 2.67 1 82 ARG 4.18 6.05 1 83 LEU 3.01 2.89 1 84 LEU 4.11 4.81 1 85 ASN 4.52 4.27 1 86 ALA 2.86 3.08 1 88 LYS 3.73 3.41 1 89 ALA 3.16 2.36 1 90 PHE 1.28 1.26 1 91 THR 0.93 4.77 1 93 ILE -4.90 0.03 1 94 GLU -2.01 0.84 1 95 ASP -2.78 2.84 1 98 THR -0.22 3.35 1 99 LYS 5.52 0.75 1 100 LYS -0.71 1.09 1 101 ARG 0.26 0.92 1 102 LEU -3.28 1.28 1 103 SER -0.75 3.61 1 104 VAL 5.58 3.88 1 106 GLU 1.61 3.76 1 107 ALA 3.37 4.12 1 108 VAL 4.13 5.99 1 109 GLN 3.07 3.77 1 110 LYS 1.01 1.58 1 112 TRP -1.59 2.08 1 113 MET -4.35 0.21 1 115 ARG 4.66 3.57 1 116 GLU 4.60 3.08 1 117 SER 2.01 2.08 1 118 VAL -1.39 2.64 1 121 HIS -0.71 5.62 1 122 LEU 2.33 3.48 1 123 GLN 5.44 4.01 1 124 VAL 6.16 4.85 1 125 GLN 7.52 4.19 1 126 HIS 4.05 5.83 1 127 LEU 1.35 1.98 1 128 THR -1.00 0.72 1 131 LEU 1.39 0.71 1 132 ILE -1.03 0.76 1 133 ASP -4.84 2.34 1 135 LYS 5.25 1.71 1 136 ARG -4.01 0.82 1 137 THR 0.59 2.35 1 139 ARG -4.39 2.31 1 140 ILE -1.88 0.60 1 143 GLN 5.67 4.63 1 144 GLN 3.53 4.49 1 145 ALA 2.92 3.10 1 146 LEU 2.71 4.60 1 147 LEU 3.14 3.30 1 148 SER 0.46 2.42 1 150 MET 1.61 0.10 1 151 ILE -6.58 -1.04 1 152 SER -4.31 2.27 1 153 GLU 4.25 4.05 1 154 GLU 3.52 4.33 1 155 LEU 2.94 2.58 1 156 ALA 4.37 3.53 1 157 GLN 4.65 4.98 1 158 LEU 2.42 4.34 1 159 LEU 1.86 2.64 1 160 GLN 0.86 1.75 1 161 ASP -0.26 2.08 1 162 GLU 2.32 3.98 1 163 SER 3.84 2.79 1 164 SER 0.24 1.99 1 165 TYR 0.88 2.10 1 166 GLU 0.48 1.97 1 167 LYS 1.01 1.95 1 168 ASP -0.88 1.17 1 169 LEU -2.00 0.66 1 170 THR 0.65 1.43 1 171 ASP -1.69 2.74 1 173 ILE 3.73 3.00 1 174 SER 0.40 3.26 1 175 LYS 5.19 0.89 1 176 GLU -1.99 1.01 1 177 ARG 0.16 1.55 1 178 LEU -6.21 0.84 1 179 SER -4.33 3.46 1 180 TYR 6.31 3.78 1 181 LYS 3.65 4.44 1 182 GLU 0.98 5.25 1 183 ALA 5.01 4.07 1 184 MET 4.74 4.97 1 186 ARG -0.02 2.29 1 188 ARG -3.68 0.64 1 189 LYS -0.67 1.92 1 190 ASP -1.44 2.94 1 192 LEU 1.87 2.44 1 193 SER -0.93 2.90 1 195 LEU -0.74 0.31 1 196 LEU -1.54 1.27 1 197 LEU -6.44 -0.60 1 198 LEU -2.55 1.21 1 200 ALA -5.79 -1.49 1 201 ALA -1.17 4.99 1 stop_ save_