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 bmr17189_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.44 _LACS_plot.Line_1_terminator_val_y_1 -2.82 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.55 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.69 _LACS_plot.Line_2_terminator_val_x_2 6.36 _LACS_plot.Line_2_terminator_val_y_2 5.11 _LACS_plot.Y_axis_chem_shift_offset 0.11 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 18 ILE 0.05 -3.32 0 11 VAL -0.24 -0.31 1 12 LYS -3.01 -1.23 1 13 PHE -2.72 -0.43 1 14 VAL -4.63 -1.74 1 15 GLU -2.35 -0.39 1 16 MET -0.84 -0.67 1 17 ASP 0.08 -0.44 1 19 ARG -0.11 0.30 1 20 SER -4.23 -1.02 1 21 ARG 5.05 3.95 1 22 GLU 3.59 3.08 1 23 ALA 1.97 1.83 1 24 TYR 4.92 5.18 1 25 GLU 2.76 2.57 1 26 LEU 1.31 1.47 1 27 ALA 4.28 3.24 1 28 GLU 2.66 1.55 1 29 GLU 2.01 1.26 1 30 TRP -4.93 -1.80 1 31 PHE -1.37 0.29 1 32 ASP 1.61 3.42 1 33 ASP -4.35 -1.21 1 34 VAL -4.34 -1.51 1 35 VAL -0.60 -0.77 1 36 PHE -0.61 0.16 1 37 SER -4.23 -3.42 1 38 TYR -2.80 -2.18 1 39 GLU -1.79 0.28 1 44 VAL -4.88 -2.61 1 45 LEU 1.06 -1.60 1 46 ASP -5.43 -1.46 1 47 LYS 4.27 3.94 1 48 GLU 3.54 2.45 1 49 ARG 3.20 2.14 1 50 LEU 4.87 2.71 1 51 LYS 4.63 3.68 1 52 GLU 3.53 2.87 1 53 ILE 4.42 3.02 1 54 LYS 3.80 3.05 1 55 LYS 3.88 2.94 1 56 GLU 1.54 1.64 1 57 TYR -1.61 0.90 1 59 ASN -2.39 -0.45 1 60 VAL -5.49 -1.84 1 61 ALA -5.06 -3.55 1 62 ILE 0.68 0.58 1 63 THR 1.35 -0.17 1 64 LEU -0.50 -1.55 1 65 ILE 0.93 -1.45 1 71 LEU 1.92 2.09 1 72 VAL 6.13 4.83 1 73 LYS 5.20 4.02 1 74 GLU 2.91 2.99 1 75 ALA 3.79 3.35 1 76 VAL 5.27 4.34 1 77 GLN 3.97 3.63 1 79 PHE -0.31 1.41 1 80 LYS 2.82 3.34 1 81 GLN 4.23 3.31 1 82 ASN -3.83 0.17 1 83 TYR -3.16 -0.51 1 84 LEU -1.23 -0.78 1 85 ILE -1.92 -1.47 1 86 TYR -7.44 -6.36 1 87 VAL -4.14 -0.92 1 88 GLU -3.90 -1.81 1 89 SER -2.66 -1.30 1 91 ASP -2.12 -1.53 1 92 LEU 4.36 2.98 1 93 ARG 5.18 3.69 1 94 VAL 5.59 4.35 1 95 VAL 3.66 2.34 1 96 ARG 5.69 4.78 1 97 TYR 3.35 3.86 1 98 SER 4.31 3.85 1 99 ILE 4.63 4.21 1 100 GLU 3.62 3.02 1 101 ARG -0.84 -0.77 1 103 VAL 2.75 0.46 1 104 ASP 2.11 4.12 1 105 ALA -5.22 -1.25 1 106 VAL -2.82 -2.41 1 107 ILE -1.89 -2.03 1 110 TRP 0.45 -0.47 1 111 ALA 2.49 1.97 1 112 ASN 0.64 0.36 1 113 ARG -0.08 -0.30 1 114 LYS 0.40 -0.81 1 115 ASP -2.42 -0.98 1 116 GLN 1.63 1.30 1 118 ILE -0.37 0.23 1 120 HIS 3.69 5.19 1 121 VAL 5.60 4.00 1 122 LEU 2.47 2.79 1 123 ALA 3.83 2.98 1 124 ARG 5.18 4.25 1 125 MET 3.09 3.99 1 126 MET 4.44 5.62 1 127 ASN 3.44 4.99 1 128 LYS 3.53 2.86 1 129 ARG -1.24 -1.26 1 131 VAL -0.85 0.07 1 132 ALA -3.73 -2.27 1 133 LEU -4.64 -2.70 1 135 PHE 0.53 0.28 1 136 SER -1.71 -1.23 1 137 LEU 0.85 0.74 1 146 TYR 3.62 2.44 1 147 GLU 2.37 2.03 1 148 ARG 3.75 3.66 1 149 ALA 3.63 2.51 1 150 ASN 3.49 2.62 1 151 ALA 3.85 3.01 1 152 LEU 3.61 3.05 1 155 MET 3.89 5.02 1 156 ARG 4.21 3.74 1 157 LYS 4.07 3.22 1 158 ALA 3.44 3.17 1 159 TRP 2.76 2.36 1 160 THR 5.84 4.81 1 162 VAL 4.86 3.61 1 163 ASN 2.44 1.71 1 164 LYS 3.72 3.26 1 165 TYR 2.08 0.76 1 166 LYS 5.07 0.63 1 169 ARG -0.72 -1.05 1 170 PHE -5.40 -2.14 1 171 ILE -3.60 -1.49 1 172 SER -2.65 -1.85 1 173 SER 3.86 3.64 1 174 SER 0.80 -0.44 1 175 ALA -0.82 1.72 1 176 LYS -0.18 -0.09 1 178 LYS 5.73 4.27 1 179 PHE 2.78 0.73 1 180 GLN 0.01 0.00 1 181 VAL 2.57 1.64 1 182 ARG -6.66 -3.58 1 184 VAL 6.06 5.00 1 185 LYS 4.94 3.44 1 187 LEU 1.97 0.94 1 188 ILE 6.37 4.78 1 190 LEU 4.06 2.71 1 192 ILE 3.53 2.47 1 193 ALA 3.96 2.42 1 194 ILE 2.31 1.46 1 196 MET 1.43 1.07 1 197 GLU -1.38 -0.51 1 198 GLU 6.20 5.32 1 199 VAL 5.35 3.76 1 200 GLN 3.04 2.13 1 201 ALA 3.15 2.78 1 202 LYS 5.58 5.04 1 203 ALA 4.07 3.44 1 204 SER 3.78 3.62 1 205 LEU -5.38 -0.79 1 206 SER -1.99 -0.29 1 207 PHE 3.45 4.34 1 210 LEU 4.48 3.25 1 212 ILE 4.28 3.56 1 213 LEU 2.17 2.31 1 214 GLU 2.88 2.16 1 215 ARG 4.02 2.09 1 216 LEU -0.30 -0.35 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17189_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.44 _LACS_plot.Line_1_terminator_val_y_1 4.62 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.45 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.31 _LACS_plot.Line_2_terminator_val_x_2 6.36 _LACS_plot.Line_2_terminator_val_y_2 -1.25 _LACS_plot.Y_axis_chem_shift_offset 0.11 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 18 ILE 0.05 -3.37 0 11 VAL -0.24 -0.07 1 12 LYS -3.01 1.78 1 13 PHE -2.72 2.29 1 14 VAL -4.63 2.89 1 15 GLU -2.35 1.96 1 16 MET -0.84 0.17 1 17 ASP 0.08 -0.52 1 19 ARG -0.11 0.41 1 20 SER -4.23 3.21 1 21 ARG 5.05 -1.10 1 22 GLU 3.59 -0.51 1 23 ALA 1.97 -0.14 1 24 TYR 4.92 0.26 1 25 GLU 2.76 -0.19 1 26 LEU 1.31 0.16 1 27 ALA 4.28 -1.04 1 28 GLU 2.66 -1.11 1 29 GLU 2.01 -0.75 1 30 TRP -4.93 3.13 1 31 PHE -1.37 1.66 1 32 ASP 1.61 1.81 1 33 ASP -4.35 3.14 1 34 VAL -4.34 2.83 1 35 VAL -0.60 -0.17 1 36 PHE -0.61 0.77 1 37 SER -4.23 0.81 1 38 TYR -2.80 0.62 1 39 GLU -1.79 2.07 1 44 VAL -4.88 2.27 1 45 LEU 1.06 -2.66 1 46 ASP -5.43 3.97 1 47 LYS 4.27 -0.33 1 48 GLU 3.54 -1.09 1 49 ARG 3.20 -1.06 1 50 LEU 4.87 -2.16 1 51 LYS 4.63 -0.95 1 52 GLU 3.53 -0.66 1 53 ILE 4.42 -1.40 1 54 LYS 3.80 -0.75 1 55 LYS 3.88 -0.94 1 56 GLU 1.54 0.10 1 57 TYR -1.61 2.51 1 59 ASN -2.39 1.94 1 60 VAL -5.49 3.65 1 61 ALA -5.06 1.51 1 62 ILE 0.68 -0.10 1 63 THR 1.35 -1.52 1 64 LEU -0.50 -1.05 1 65 ILE 0.93 -2.38 1 71 LEU 1.92 0.17 1 72 VAL 6.13 -1.30 1 73 LYS 5.20 -1.18 1 74 GLU 2.91 0.08 1 75 ALA 3.79 -0.44 1 76 VAL 5.27 -0.93 1 77 GLN 3.97 -0.34 1 79 PHE -0.31 1.72 1 80 LYS 2.82 0.52 1 81 GLN 4.23 -0.92 1 82 ASN -3.83 4.00 1 83 TYR -3.16 2.65 1 84 LEU -1.23 0.45 1 85 ILE -1.92 0.45 1 86 TYR -7.44 1.08 1 87 VAL -4.14 3.22 1 88 GLU -3.90 2.09 1 89 SER -2.66 1.36 1 91 ASP -2.12 0.59 1 92 LEU 4.36 -1.38 1 93 ARG 5.18 -1.49 1 94 VAL 5.59 -1.24 1 95 VAL 3.66 -1.32 1 96 ARG 5.69 -0.91 1 97 TYR 3.35 0.51 1 98 SER 4.31 -0.46 1 99 ILE 4.63 -0.42 1 100 GLU 3.62 -0.60 1 101 ARG -0.84 0.07 1 103 VAL 2.75 -2.29 1 104 ASP 2.11 2.01 1 105 ALA -5.22 3.97 1 106 VAL -2.82 0.41 1 107 ILE -1.89 -0.14 1 110 TRP 0.45 -0.92 1 111 ALA 2.49 -0.52 1 112 ASN 0.64 -0.28 1 113 ARG -0.08 -0.22 1 114 LYS 0.40 -1.21 1 115 ASP -2.42 1.44 1 116 GLN 1.63 -0.33 1 118 ILE -0.37 0.60 1 120 HIS 3.69 1.50 1 121 VAL 5.60 -1.60 1 122 LEU 2.47 0.32 1 123 ALA 3.83 -0.85 1 124 ARG 5.18 -0.93 1 125 MET 3.09 0.90 1 126 MET 4.44 1.18 1 127 ASN 3.44 1.55 1 128 LYS 3.53 -0.67 1 129 ARG -1.24 -0.02 1 131 VAL -0.85 0.92 1 132 ALA -3.73 1.46 1 133 LEU -4.64 1.94 1 135 PHE 0.53 -0.25 1 136 SER -1.71 0.48 1 137 LEU 0.85 -0.11 1 146 TYR 3.62 -1.18 1 147 GLU 2.37 -0.34 1 148 ARG 3.75 -0.09 1 149 ALA 3.63 -1.12 1 150 ASN 3.49 -0.87 1 151 ALA 3.85 -0.84 1 152 LEU 3.61 -0.56 1 155 MET 3.89 1.13 1 156 ARG 4.21 -0.47 1 157 LYS 4.07 -0.85 1 158 ALA 3.44 -0.27 1 159 TRP 2.76 -0.40 1 160 THR 5.84 -1.03 1 162 VAL 4.86 -1.25 1 163 ASN 2.44 -0.73 1 164 LYS 3.72 -0.46 1 165 TYR 2.08 -1.32 1 166 LYS 5.07 -4.44 1 169 ARG -0.72 -0.33 1 170 PHE -5.40 3.26 1 171 ILE -3.60 2.11 1 172 SER -2.65 0.80 1 173 SER 3.86 -0.22 1 174 SER 0.80 -1.24 1 175 ALA -0.82 2.54 1 176 LYS -0.18 0.09 1 178 LYS 5.73 -1.46 1 179 PHE 2.78 -2.05 1 180 GLN 0.01 -0.01 1 181 VAL 2.57 -0.93 1 182 ARG -6.66 3.08 1 184 VAL 6.06 -1.06 1 185 LYS 4.94 -1.50 1 187 LEU 1.97 -1.03 1 188 ILE 6.37 -1.59 1 190 LEU 4.06 -1.35 1 192 ILE 3.53 -1.06 1 193 ALA 3.96 -1.54 1 194 ILE 2.31 -0.85 1 196 MET 1.43 -0.36 1 197 GLU -1.38 0.87 1 198 GLU 6.20 -0.88 1 199 VAL 5.35 -1.59 1 200 GLN 3.04 -0.91 1 201 ALA 3.15 -0.37 1 202 LYS 5.58 -0.54 1 203 ALA 4.07 -0.63 1 204 SER 3.78 -0.16 1 205 LEU -5.38 4.59 1 206 SER -1.99 1.70 1 207 PHE 3.45 0.89 1 210 LEU 4.48 -1.23 1 212 ILE 4.28 -0.72 1 213 LEU 2.17 0.14 1 214 GLU 2.88 -0.72 1 215 ARG 4.02 -1.93 1 216 LEU -0.30 -0.05 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17189_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.44 _LACS_plot.Line_1_terminator_val_y_1 -3.43 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.66 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.14 _LACS_plot.Line_2_terminator_val_x_2 6.36 _LACS_plot.Line_2_terminator_val_y_2 2.53 _LACS_plot.Y_axis_chem_shift_offset 0.23 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 86 TYR -7.44 0.27 0 11 VAL -0.24 -1.99 1 12 LYS -3.01 -2.46 1 13 PHE -2.72 0.58 1 14 VAL -4.63 -2.55 1 15 GLU -2.35 0.75 1 16 MET -0.84 0.12 1 17 ASP 0.08 -4.65 1 18 ILE 0.05 0.64 1 19 ARG -0.11 -0.20 1 20 SER -4.23 -0.55 1 21 ARG 5.05 1.48 1 22 GLU 3.59 2.31 1 23 ALA 1.97 -0.10 1 24 TYR 4.92 0.16 1 25 GLU 2.76 1.71 1 26 LEU 1.31 0.22 1 27 ALA 4.28 1.51 1 28 GLU 2.66 0.14 1 29 GLU 2.01 -0.02 1 30 TRP -4.93 -1.09 1 31 PHE -1.37 -1.66 1 32 ASP 1.61 -0.36 1 33 ASP -4.35 -2.79 1 34 VAL -4.34 -1.96 1 35 VAL -0.60 -2.07 1 36 PHE -0.61 -2.84 1 37 SER -4.23 -3.21 1 38 TYR -2.80 -2.20 1 39 GLU -1.79 0.52 1 44 VAL -4.88 -1.10 1 45 LEU 1.06 -3.35 1 46 ASP -5.43 -0.66 1 47 LYS 4.27 1.30 1 48 GLU 3.54 2.60 1 49 ARG 3.20 3.11 1 50 LEU 4.87 1.56 1 51 LYS 4.63 2.50 1 52 GLU 3.53 2.53 1 53 ILE 4.42 1.61 1 54 LYS 3.80 2.13 1 55 LYS 3.88 0.93 1 56 GLU 1.54 0.54 1 57 TYR -1.61 1.36 1 59 ASN -2.39 -2.11 1 60 VAL -5.49 -2.52 1 61 ALA -5.06 -2.14 1 62 ILE 0.68 -2.55 1 63 THR 1.35 -1.48 1 64 LEU -0.50 -2.27 1 65 ILE 0.93 0.22 1 71 LEU 1.92 0.66 1 72 VAL 6.13 1.06 1 73 LYS 5.20 1.57 1 74 GLU 2.91 1.68 1 75 ALA 3.79 1.89 1 76 VAL 5.27 1.89 1 77 GLN 3.97 2.38 1 79 PHE -0.31 0.25 1 80 LYS 2.82 -0.07 1 81 GLN 4.23 0.00 1 82 ASN -3.83 -2.86 1 83 TYR -3.16 -1.28 1 84 LEU -1.23 -0.80 1 85 ILE -1.92 -0.81 1 87 VAL -4.14 -2.93 1 88 GLU -3.90 -2.80 1 89 SER -2.66 -1.59 1 91 ASP -2.12 0.74 1 92 LEU 4.36 2.02 1 93 ARG 5.18 3.59 1 94 VAL 5.59 3.37 1 95 VAL 3.66 0.80 1 96 ARG 5.69 0.95 1 97 TYR 3.35 1.38 1 98 SER 4.31 1.09 1 99 ILE 4.63 1.52 1 100 GLU 3.62 2.30 1 101 ARG -0.84 0.38 1 103 VAL 2.75 -2.64 1 104 ASP 2.11 1.33 1 105 ALA -5.22 -2.64 1 106 VAL -2.82 -1.94 1 107 ILE -1.89 -1.14 1 110 TRP 0.45 0.65 1 111 ALA 2.49 0.07 1 112 ASN 0.64 -0.95 1 113 ARG -0.08 -1.04 1 114 LYS 0.40 -1.29 1 115 ASP -2.42 -3.00 1 116 GLN 1.63 0.09 1 118 ILE -0.37 -4.06 1 120 HIS 3.69 2.20 1 121 VAL 5.60 2.78 1 122 LEU 2.47 1.37 1 123 ALA 3.83 0.82 1 124 ARG 5.18 3.21 1 125 MET 3.09 2.06 1 126 MET 4.44 2.35 1 127 ASN 3.44 2.20 1 128 LYS 3.53 1.93 1 129 ARG -1.24 -0.19 1 131 VAL -0.85 -3.23 1 132 ALA -3.73 -2.02 1 133 LEU -4.64 -2.44 1 135 PHE 0.53 -1.47 1 136 SER -1.71 1.21 1 137 LEU 0.85 -0.46 1 146 TYR 3.62 2.30 1 147 GLU 2.37 3.15 1 148 ARG 3.75 1.30 1 149 ALA 3.63 2.91 1 150 ASN 3.49 0.71 1 151 ALA 3.85 2.04 1 152 LEU 3.61 1.25 1 155 MET 3.89 1.68 1 156 ARG 4.21 3.47 1 157 LYS 4.07 2.97 1 158 ALA 3.44 1.84 1 159 TRP 2.76 0.02 1 160 THR 5.84 2.33 1 162 VAL 4.86 1.19 1 163 ASN 2.44 2.64 1 164 LYS 3.72 1.10 1 165 TYR 2.08 -2.32 1 166 LYS 5.07 -0.34 1 169 ARG -0.72 -3.79 1 170 PHE -5.40 -2.26 1 171 ILE -3.60 -2.81 1 172 SER -2.65 -0.92 1 173 SER 3.86 1.53 1 174 SER 0.80 3.19 1 175 ALA -0.82 -0.93 1 176 LYS -0.18 0.04 1 178 LYS 5.73 0.56 1 179 PHE 2.78 0.15 1 180 GLN 0.01 -1.52 1 181 VAL 2.57 -0.06 1 182 ARG -6.66 -0.78 1 184 VAL 6.06 1.53 1 185 LYS 4.94 2.60 1 188 ILE 6.37 1.44 1 190 LEU 4.06 0.15 1 192 ILE 3.53 4.01 1 193 ALA 3.96 1.89 1 194 ILE 2.31 -3.04 1 196 MET 1.43 0.36 1 197 GLU -1.38 2.14 1 198 GLU 6.20 2.14 1 199 VAL 5.35 2.22 1 200 GLN 3.04 3.54 1 201 ALA 3.15 1.87 1 202 LYS 5.58 4.53 1 203 ALA 4.07 2.51 1 204 SER 3.78 -2.58 1 205 LEU -5.38 -2.23 1 206 SER -1.99 -1.25 1 207 PHE 3.45 1.72 1 210 LEU 4.48 2.03 1 212 ILE 4.28 1.06 1 213 LEU 2.17 1.55 1 214 GLU 2.88 0.93 1 215 ARG 4.02 0.71 1 216 LEU -0.30 -1.39 1 stop_ save_