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 bmr6148_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.96 _LACS_plot.Line_1_terminator_val_y_1 -3.51 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.07 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.66 _LACS_plot.Line_2_terminator_val_x_2 9.85 _LACS_plot.Line_2_terminator_val_y_2 6.05 _LACS_plot.Y_axis_chem_shift_offset 0.50 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 13 ASN 1.80 -3.20 0 60 GLU 7.72 7.65 0 10 VAL -0.15 -1.08 1 11 ALA 0.67 -0.95 1 14 PHE -1.91 -2.37 1 15 GLU -4.01 -2.67 1 16 ALA -6.23 -1.94 1 17 ASN -0.57 -0.56 1 18 THR -6.08 -2.18 1 19 THR 3.74 2.27 1 20 VAL 0.26 -2.48 1 22 ARG 1.88 0.52 1 23 ILE -6.11 -2.68 1 24 ARG -1.52 -2.00 1 25 PHE 4.85 3.17 1 26 HIS 2.62 3.66 1 27 ASP 3.40 2.04 1 28 PHE 2.96 2.52 1 29 LEU 3.05 1.42 1 31 ASP -0.15 -1.25 1 32 SER 0.45 0.47 1 33 TRP 1.12 0.79 1 35 ILE -1.29 -1.07 1 36 LEU 9.86 4.56 1 37 PHE -6.21 -4.68 1 38 SER -7.14 -2.36 1 39 HIS 0.13 1.13 1 41 ARG -4.02 -2.01 1 42 ASP 2.65 -2.08 1 43 PHE -6.65 -1.86 1 44 THR -1.60 -3.45 1 46 VAL 4.61 2.00 1 48 THR -6.03 -2.22 1 49 THR 3.74 2.38 1 50 GLU 1.01 2.55 1 51 LEU 7.37 3.65 1 53 ARG 3.30 1.15 1 54 ALA 3.82 2.29 1 55 ALA 4.74 2.69 1 56 LYS 2.77 0.84 1 57 LEU -1.89 -0.79 1 58 ALA 9.26 6.86 1 61 PHE -0.10 0.28 1 62 ALA 3.16 2.47 1 63 LYS 4.00 1.93 1 64 ARG 1.24 -1.47 1 65 ASN 3.29 0.78 1 66 VAL -1.31 -2.19 1 67 LYS -1.63 -0.91 1 68 LEU -4.09 -1.13 1 69 ILE 2.45 0.82 1 70 ALA 4.24 2.69 1 72 SER -3.00 1.44 1 73 ILE -1.13 -2.55 1 74 ASP -1.85 0.07 1 75 SER -4.00 -2.10 1 76 VAL 6.44 4.55 1 77 GLU 5.81 3.89 1 78 ASP 5.07 3.17 1 79 HIS 0.43 1.86 1 80 LEU 4.60 2.90 1 81 ALA 3.14 2.40 1 82 TRP 4.46 0.81 1 83 SER 3.14 1.45 1 84 LYS 4.75 3.26 1 85 ASP 4.13 2.62 1 86 ILE 6.02 4.11 1 87 ASN 2.42 3.26 1 88 ALA 3.25 2.34 1 89 TYR 5.03 2.90 1 90 ASN -1.04 -1.41 1 92 GLU -4.51 -3.20 1 93 GLU 0.98 0.20 1 95 THR -2.19 -1.73 1 96 GLU 0.17 -0.81 1 97 LYS -0.66 -0.79 1 98 LEU -4.30 -1.57 1 100 PHE -3.91 -3.82 1 102 ILE -0.62 -0.42 1 103 ILE 0.92 1.04 1 104 ASP -3.30 -1.89 1 105 ASP -3.45 -2.22 1 106 ARG 4.36 2.88 1 107 ASN 0.81 -0.25 1 108 ARG 7.50 2.29 1 109 GLU 3.32 3.05 1 110 LEU 4.42 1.36 1 111 ALA 2.70 1.99 1 112 ILE 4.56 2.97 1 113 LEU 3.15 2.65 1 114 LEU 0.70 -1.23 1 116 MET -2.88 -0.49 1 117 LEU 2.87 0.65 1 118 ASP -2.65 -0.55 1 120 ALA -2.18 0.12 1 121 GLU 0.49 -0.26 1 122 LYS -5.79 -2.62 1 123 ASP -2.30 -2.42 1 124 GLU 4.95 2.34 1 125 LYS 0.27 -1.29 1 127 MET -0.19 -1.03 1 129 VAL -2.83 -4.29 1 130 THR 0.23 0.10 1 131 ALA -2.56 -2.94 1 132 ARG 2.86 -1.35 1 133 VAL -0.52 -1.51 1 134 VAL 1.27 0.96 1 135 PHE -7.03 -3.94 1 136 VAL -2.46 -1.20 1 137 PHE -3.19 -1.15 1 140 ASP -4.69 -1.71 1 141 LYS 5.03 -0.29 1 142 LYS -1.29 -1.02 1 143 LEU 2.34 0.42 1 144 LYS -2.33 -2.10 1 145 LEU -0.98 1.17 1 146 SER -3.13 -0.92 1 147 ILE -3.66 -0.32 1 148 LEU 2.45 0.83 1 149 TYR -0.95 -3.92 1 151 ALA 3.10 2.23 1 152 THR 1.79 1.76 1 153 THR -3.55 -0.45 1 155 ARG -0.30 -0.47 1 156 ASN -3.40 -3.13 1 157 PHE 3.66 3.50 1 158 ASP 1.80 4.05 1 159 GLU -1.01 -0.76 1 160 ILE 5.77 2.01 1 161 LEU 4.25 0.53 1 162 ARG -0.65 2.06 1 163 VAL 7.48 4.73 1 164 VAL 3.18 4.74 1 165 ILE 1.40 2.60 1 166 SER 3.44 2.41 1 167 LEU 6.14 3.10 1 168 GLN 3.98 2.81 1 169 LEU 1.97 1.58 1 170 THR 1.67 0.73 1 171 ALA -1.70 0.07 1 172 GLU -5.51 -3.32 1 173 LYS 2.79 -0.55 1 174 ARG -7.96 -5.28 1 175 VAL -6.82 -2.40 1 176 ALA -0.45 -2.72 1 177 THR 0.66 -1.08 1 179 VAL 4.19 2.34 1 180 ASP 1.68 1.71 1 181 TRP -3.09 -3.33 1 182 LYS 2.10 1.03 1 183 ASP -0.79 -0.51 1 185 ASP 2.36 1.94 1 186 SER -4.52 -4.19 1 187 VAL -1.35 -3.44 1 188 MET 0.72 -0.09 1 189 VAL 3.99 0.95 1 190 LEU 3.30 2.67 1 192 THR -1.04 0.80 1 193 ILE 3.98 3.31 1 195 GLU 4.20 2.44 1 196 GLU 1.73 1.18 1 197 GLU 4.55 2.43 1 198 ALA 3.69 2.36 1 199 LYS 2.11 1.11 1 200 LYS 1.21 0.90 1 201 LEU 0.45 -1.47 1 202 PHE 3.99 2.15 1 204 LYS -2.07 -1.45 1 206 VAL -2.54 -1.98 1 207 PHE 0.48 -0.11 1 208 THR -1.59 -2.18 1 209 LYS 0.35 -0.66 1 210 GLU -2.75 -0.72 1 211 LEU 3.48 2.04 1 213 SER -1.19 -0.64 1 215 LYS 2.42 -1.03 1 216 LYS -2.25 -2.25 1 217 TYR 3.36 -1.83 1 218 LEU -3.99 -2.03 1 219 ARG -5.52 -2.36 1 220 TYR -4.44 -2.00 1 221 THR 1.60 -0.23 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6148_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.96 _LACS_plot.Line_1_terminator_val_y_1 4.45 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.93 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.34 _LACS_plot.Line_2_terminator_val_x_2 9.85 _LACS_plot.Line_2_terminator_val_y_2 -3.80 _LACS_plot.Y_axis_chem_shift_offset 0.50 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 13 ASN 1.80 -5.00 0 60 GLU 7.72 -0.07 0 10 VAL -0.15 -0.93 1 11 ALA 0.67 -1.62 1 14 PHE -1.91 -0.46 1 15 GLU -4.01 1.34 1 16 ALA -6.23 4.29 1 17 ASN -0.57 0.01 1 18 THR -6.08 3.90 1 19 THR 3.74 -1.47 1 20 VAL 0.26 -2.74 1 22 ARG 1.88 -1.36 1 23 ILE -6.11 3.43 1 24 ARG -1.52 -0.48 1 25 PHE 4.85 -1.68 1 26 HIS 2.62 1.04 1 27 ASP 3.40 -1.36 1 28 PHE 2.96 -0.44 1 29 LEU 3.05 -1.63 1 31 ASP -0.15 -1.10 1 32 SER 0.45 0.02 1 33 TRP 1.12 -0.33 1 35 ILE -1.29 0.22 1 36 LEU 9.86 -5.30 1 37 PHE -6.21 1.53 1 38 SER -7.14 4.78 1 39 HIS 0.13 1.00 1 41 ARG -4.02 2.01 1 42 ASP 2.65 -4.73 1 43 PHE -6.65 4.79 1 44 THR -1.60 -1.85 1 46 VAL 4.61 -2.61 1 48 THR -6.03 3.81 1 49 THR 3.74 -1.36 1 50 GLU 1.01 1.54 1 51 LEU 7.37 -3.72 1 53 ARG 3.30 -2.15 1 54 ALA 3.82 -1.53 1 55 ALA 4.74 -2.05 1 56 LYS 2.77 -1.93 1 57 LEU -1.89 1.10 1 58 ALA 9.26 -2.40 1 61 PHE -0.10 0.38 1 62 ALA 3.16 -0.69 1 63 LYS 4.00 -2.07 1 64 ARG 1.24 -2.71 1 65 ASN 3.29 -2.51 1 66 VAL -1.31 -0.88 1 67 LYS -1.63 0.72 1 68 LEU -4.09 2.96 1 69 ILE 2.45 -1.63 1 70 ALA 4.24 -1.55 1 72 SER -3.00 4.44 1 73 ILE -1.13 -1.42 1 74 ASP -1.85 1.92 1 75 SER -4.00 1.90 1 76 VAL 6.44 -1.89 1 77 GLU 5.81 -1.92 1 78 ASP 5.07 -1.90 1 79 HIS 0.43 1.43 1 80 LEU 4.60 -1.70 1 81 ALA 3.14 -0.74 1 82 TRP 4.46 -3.65 1 83 SER 3.14 -1.69 1 84 LYS 4.75 -1.49 1 85 ASP 4.13 -1.51 1 86 ILE 6.02 -1.91 1 87 ASN 2.42 0.84 1 88 ALA 3.25 -0.91 1 89 TYR 5.03 -2.13 1 90 ASN -1.04 -0.37 1 92 GLU -4.51 1.31 1 93 GLU 0.98 -0.78 1 95 THR -2.19 0.46 1 96 GLU 0.17 -0.98 1 97 LYS -0.66 -0.13 1 98 LEU -4.30 2.73 1 100 PHE -3.91 0.09 1 102 ILE -0.62 0.20 1 103 ILE 0.92 0.12 1 104 ASP -3.30 1.41 1 105 ASP -3.45 1.23 1 106 ARG 4.36 -1.48 1 107 ASN 0.81 -1.06 1 108 ARG 7.50 -5.21 1 109 GLU 3.32 -0.27 1 110 LEU 4.42 -3.06 1 111 ALA 2.70 -0.71 1 112 ILE 4.56 -1.59 1 113 LEU 3.15 -0.50 1 114 LEU 0.70 -1.93 1 116 MET -2.88 2.39 1 117 LEU 2.87 -2.22 1 118 ASP -2.65 2.10 1 120 ALA -2.18 2.30 1 121 GLU 0.49 -0.75 1 122 LYS -5.79 3.17 1 123 ASP -2.30 -0.12 1 124 GLU 4.95 -2.61 1 125 LYS 0.27 -1.56 1 127 MET -0.19 -0.84 1 129 VAL -2.83 -1.46 1 130 THR 0.23 -0.13 1 131 ALA -2.56 -0.38 1 132 ARG 2.86 -4.21 1 133 VAL -0.52 -0.99 1 134 VAL 1.27 -0.31 1 135 PHE -7.03 3.09 1 136 VAL -2.46 1.26 1 137 PHE -3.19 2.04 1 140 ASP -4.69 2.98 1 141 LYS 5.03 -5.32 1 142 LYS -1.29 0.27 1 143 LEU 2.34 -1.92 1 144 LYS -2.33 0.23 1 145 LEU -0.98 2.15 1 146 SER -3.13 2.21 1 147 ILE -3.66 3.34 1 148 LEU 2.45 -1.62 1 149 TYR -0.95 -2.97 1 151 ALA 3.10 -0.87 1 152 THR 1.79 -0.03 1 153 THR -3.55 3.10 1 155 ARG -0.30 -0.17 1 156 ASN -3.40 0.27 1 157 PHE 3.66 -0.16 1 158 ASP 1.80 2.25 1 159 GLU -1.01 0.25 1 160 ILE 5.77 -3.76 1 161 LEU 4.25 -3.72 1 162 ARG -0.65 2.71 1 163 VAL 7.48 -2.75 1 164 VAL 3.18 1.56 1 165 ILE 1.40 1.20 1 166 SER 3.44 -1.03 1 167 LEU 6.14 -3.04 1 168 GLN 3.98 -1.17 1 169 LEU 1.97 -0.39 1 170 THR 1.67 -0.94 1 171 ALA -1.70 1.77 1 172 GLU -5.51 2.19 1 173 LYS 2.79 -3.34 1 174 ARG -7.96 2.68 1 175 VAL -6.82 4.42 1 176 ALA -0.45 -2.27 1 177 THR 0.66 -1.74 1 179 VAL 4.19 -1.85 1 180 ASP 1.68 0.03 1 181 TRP -3.09 -0.24 1 182 LYS 2.10 -1.07 1 183 ASP -0.79 0.28 1 185 ASP 2.36 -0.42 1 186 SER -4.52 0.33 1 187 VAL -1.35 -2.09 1 188 MET 0.72 -0.81 1 189 VAL 3.99 -3.04 1 190 LEU 3.30 -0.63 1 192 THR -1.04 1.84 1 193 ILE 3.98 -0.67 1 195 GLU 4.20 -1.76 1 196 GLU 1.73 -0.55 1 197 GLU 4.55 -2.12 1 198 ALA 3.69 -1.33 1 199 LYS 2.11 -1.00 1 200 LYS 1.21 -0.31 1 201 LEU 0.45 -1.92 1 202 PHE 3.99 -1.84 1 204 LYS -2.07 0.62 1 206 VAL -2.54 0.56 1 207 PHE 0.48 -0.59 1 208 THR -1.59 -0.59 1 209 LYS 0.35 -1.01 1 210 GLU -2.75 2.03 1 211 LEU 3.48 -1.44 1 213 SER -1.19 0.55 1 215 LYS 2.42 -3.45 1 216 LYS -2.25 0.00 1 217 TYR 3.36 -5.19 1 218 LEU -3.99 1.96 1 219 ARG -5.52 3.16 1 220 TYR -4.44 2.44 1 221 THR 1.60 -1.83 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6148_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.96 _LACS_plot.Line_1_terminator_val_y_1 0.33 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.12 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.03 _LACS_plot.Line_2_terminator_val_x_2 9.85 _LACS_plot.Line_2_terminator_val_y_2 -0.40 _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 36 LEU 9.86 0.32 0 157 PHE 3.66 1.14 0 48 THR -6.03 1.44 0 10 VAL -0.15 0.05 1 11 ALA 0.67 -0.51 1 15 GLU -4.01 0.14 1 16 ALA -6.23 0.49 1 17 ASN -0.57 0.29 1 18 THR -6.08 0.18 1 19 THR 3.74 -0.28 1 20 VAL 0.26 0.72 1 22 ARG 1.88 0.78 1 23 ILE -6.11 0.71 1 24 ARG -1.52 0.84 1 25 PHE 4.85 -0.51 1 26 HIS 2.62 0.00 1 27 ASP 3.40 -0.28 1 28 PHE 2.96 -0.45 1 29 LEU 3.05 -0.91 1 31 ASP -0.15 -0.03 1 32 SER 0.45 -0.19 1 33 TRP 1.12 -0.87 1 35 ILE -1.29 0.24 1 37 PHE -6.21 -0.26 1 38 SER -7.14 -0.16 1 39 HIS 0.13 -0.61 1 41 ARG -4.02 -0.40 1 42 ASP 2.65 0.02 1 43 PHE -6.65 -0.03 1 44 THR -1.60 -0.84 1 46 VAL 4.61 -0.16 1 49 THR 3.74 -0.29 1 50 GLU 1.01 0.08 1 51 LEU 7.37 0.17 1 53 ARG 3.30 -0.14 1 54 ALA 3.82 -0.04 1 55 ALA 4.74 -0.17 1 56 LYS 2.77 -0.27 1 57 LEU -1.89 0.04 1 58 ALA 9.26 -0.12 1 61 PHE -0.10 0.00 1 62 ALA 3.16 -0.01 1 63 LYS 4.00 -0.11 1 64 ARG 1.24 0.06 1 65 ASN 3.29 -0.27 1 66 VAL -1.31 0.47 1 68 LEU -4.09 0.85 1 69 ILE 2.45 0.30 1 70 ALA 4.24 -0.05 1 72 SER -3.00 -0.04 1 73 ILE -1.13 0.20 1 74 ASP -1.85 -0.23 1 75 SER -4.00 -0.07 1 76 VAL 6.44 -0.62 1 77 GLU 5.81 -0.40 1 78 ASP 5.07 0.09 1 79 HIS 0.43 -0.07 1 80 LEU 4.60 -0.33 1 81 ALA 3.14 0.02 1 84 LYS 4.75 -0.10 1 85 ASP 4.13 -0.09 1 86 ILE 6.02 -0.60 1 87 ASN 2.42 0.01 1 88 ALA 3.25 -0.47 1 90 ASN -1.04 -0.10 1 92 GLU -4.51 0.18 1 93 GLU 0.98 -0.33 1 95 THR -2.19 0.31 1 96 GLU 0.17 -0.03 1 97 LYS -0.66 0.07 1 98 LEU -4.30 -0.19 1 100 PHE -3.91 -0.16 1 102 ILE -0.62 -0.53 1 103 ILE 0.92 -0.09 1 104 ASP -3.30 -0.56 1 105 ASP -3.45 -0.75 1 106 ARG 4.36 -0.05 1 107 ASN 0.81 0.24 1 108 ARG 7.50 0.42 1 109 GLU 3.32 -0.60 1 111 ALA 2.70 -0.68 1 112 ILE 4.56 -0.46 1 113 LEU 3.15 -0.25 1 114 LEU 0.70 -0.05 1 116 MET -2.88 -0.16 1 117 LEU 2.87 -0.23 1 118 ASP -2.65 -0.34 1 120 ALA -2.18 0.16 1 121 GLU 0.49 0.00 1 122 LYS -5.79 -0.01 1 123 ASP -2.30 0.15 1 124 GLU 4.95 -0.32 1 125 LYS 0.27 0.09 1 127 MET -0.19 0.12 1 129 VAL -2.83 0.48 1 130 THR 0.23 0.47 1 131 ALA -2.56 0.28 1 132 ARG 2.86 0.12 1 133 VAL -0.52 0.68 1 134 VAL 1.27 -0.07 1 135 PHE -7.03 0.04 1 136 VAL -2.46 0.76 1 137 PHE -3.19 -0.28 1 142 LYS -1.29 -0.17 1 143 LEU 2.34 -0.22 1 145 LEU -0.98 0.32 1 146 SER -3.13 -0.14 1 147 ILE -3.66 0.50 1 148 LEU 2.45 0.35 1 149 TYR -0.95 -0.40 1 151 ALA 3.10 -0.47 1 152 THR 1.79 -0.35 1 153 THR -3.55 -0.85 1 155 ARG -0.30 -0.10 1 156 ASN -3.40 -0.33 1 158 ASP -1.01 -0.13 1 160 ILE 5.77 0.31 1 161 LEU 4.25 0.20 1 162 ARG -0.65 1.10 1 163 VAL 7.48 -0.70 1 164 VAL 3.18 -1.05 1 165 ILE 1.40 0.33 1 166 SER 3.44 0.53 1 167 LEU 6.14 -0.45 1 168 GLN 3.98 -0.19 1 169 LEU 1.97 -0.01 1 170 THR 1.67 0.23 1 171 ALA -1.70 0.17 1 172 GLU 2.79 -0.34 1 174 ARG -7.96 0.97 1 175 VAL -6.82 0.73 1 176 ALA -0.45 -0.27 1 177 THR 0.66 -0.54 1 179 VAL 4.19 -0.56 1 180 ASP 1.68 0.06 1 181 TRP -3.09 -0.34 1 182 LYS 2.10 -1.03 1 183 ASP -0.79 0.09 1 185 ASP 2.36 -0.01 1 186 SER -4.52 0.53 1 187 VAL -1.35 -0.03 1 188 MET 0.72 0.00 1 189 VAL 3.99 -0.39 1 190 LEU 3.30 -0.52 1 192 THR -1.04 -0.56 1 193 ILE 3.98 -0.60 1 195 GLU 4.20 -0.34 1 196 GLU 1.73 -0.22 1 197 GLU 4.55 -0.37 1 198 ALA 3.69 -0.30 1 199 LYS 2.11 -0.28 1 200 LYS 1.21 -0.64 1 201 LEU 0.45 0.53 1 202 PHE 3.99 -0.09 1 204 LYS -2.07 0.46 1 206 VAL -2.54 -0.10 1 207 PHE 0.48 0.09 1 208 THR -1.59 0.20 1 209 LYS 0.35 -0.02 1 210 GLU -2.75 1.12 1 211 LEU 3.48 -0.05 1 213 SER -1.19 -0.01 1 215 LYS -2.25 0.18 1 217 TYR 3.36 -0.02 1 218 LEU -3.99 0.37 1 219 ARG -5.52 0.81 1 220 TYR -4.44 0.69 1 221 THR 1.60 -0.21 1 stop_ save_