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 bmr5577_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.71 _LACS_plot.Line_1_terminator_val_y_1 -2.70 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 0.42 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.28 _LACS_plot.Line_2_terminator_val_x_2 6.86 _LACS_plot.Line_2_terminator_val_y_2 4.78 _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 175 HIS -8.71 -1.80 0 10 TRP -2.65 -0.22 1 11 PHE 0.35 -0.62 1 12 ASP 5.41 2.75 1 13 ASN 0.56 -0.68 1 14 GLN -3.93 -0.72 1 17 GLU -2.79 -1.05 1 18 ALA -1.75 -0.86 1 19 ASP -0.39 -0.53 1 20 THR 0.30 -0.57 1 21 THR 0.04 0.72 1 27 VAL -0.94 -0.65 1 28 SER 0.07 0.15 1 29 PHE -2.13 -1.54 1 31 LYS 1.96 1.08 1 32 THR 1.16 0.87 1 33 SER 0.06 0.14 1 34 ALA 2.71 2.45 1 35 THR 6.52 3.80 1 36 TRP 1.24 0.75 1 37 PHE 6.12 4.04 1 38 ALA 2.33 1.86 1 39 LEU 3.63 2.39 1 40 SER 4.14 2.28 1 41 ARG 3.45 2.83 1 42 ILE 5.56 5.39 1 43 ALA 3.11 1.86 1 45 LEU 0.41 1.20 1 47 ASN 0.37 0.70 1 48 ARG -0.86 -0.51 1 49 ALA 0.33 0.12 1 50 VAL -6.25 -3.18 1 51 PHE 1.72 1.71 1 52 GLN 0.89 0.59 1 55 GLN -2.21 -1.14 1 57 ASN 0.95 0.10 1 58 LEU -1.51 -0.65 1 60 ILE 5.67 4.92 1 61 LEU 3.61 2.37 1 62 LYS -1.29 -1.00 1 63 ARG 0.51 1.71 1 64 ALA -0.16 -0.24 1 65 VAL -4.83 -1.62 1 66 ALA -1.94 -1.83 1 68 ASP -1.59 -0.35 1 70 SER 3.75 2.86 1 71 GLU 6.87 4.84 1 72 SER 4.72 3.64 1 73 ALA 3.26 2.67 1 74 LEU 3.22 2.95 1 75 LEU 3.61 3.54 1 76 LYS 5.25 5.22 1 78 ILE 5.86 1.61 1 79 GLU 3.78 2.41 1 80 VAL 3.91 3.04 1 84 SER 0.34 -0.29 1 85 VAL 5.14 3.69 1 86 MET 5.33 2.55 1 87 GLU 3.22 2.84 1 88 MET 3.19 4.44 1 89 ARG 4.31 3.69 1 90 GLU 1.62 1.45 1 91 LYS 2.33 2.25 1 92 TYR -2.47 -3.14 1 93 THR 2.26 2.94 1 94 LYS 3.07 2.05 1 95 ILE 1.20 2.39 1 96 VAL -7.21 -2.98 1 97 GLU -6.42 -1.31 1 98 ILE -0.97 0.32 1 100 PHE 2.00 2.14 1 103 THR 4.92 3.47 1 104 ASN 3.09 1.07 1 105 LYS 4.67 1.46 1 106 TYR -4.50 -2.12 1 108 LEU -5.91 -1.13 1 109 SER 1.04 0.68 1 110 ILE -2.00 -1.20 1 111 HIS -4.37 -0.76 1 112 LYS 0.25 0.15 1 113 ASN -3.87 -2.38 1 115 ASN 1.14 0.57 1 117 SER 2.44 2.24 1 120 LYS 2.53 1.85 1 121 HIS -1.34 1.11 1 123 LEU -2.75 -0.50 1 124 VAL -5.06 -2.79 1 125 MET -4.25 -0.07 1 126 LYS -7.18 -2.81 1 130 GLU 4.57 2.81 1 131 ARG 1.74 0.34 1 132 ILE 2.97 0.25 1 133 LEU 5.84 3.63 1 134 ASP 2.04 2.10 1 135 ARG -0.24 -0.67 1 137 SER -1.69 -0.83 1 138 SER -4.64 -1.36 1 139 ILE -5.36 -2.23 1 140 LEU -3.20 -1.34 1 142 HIS 2.75 1.89 1 144 LYS -3.61 -1.55 1 145 GLU -0.31 0.48 1 146 GLN -2.75 -1.08 1 148 LEU 0.86 0.03 1 150 GLU 4.00 3.59 1 151 GLU 3.98 3.19 1 152 LEU 2.06 1.79 1 153 LYS 6.23 4.96 1 154 ASP 4.08 3.36 1 155 ALA 3.68 2.82 1 156 PHE 3.98 2.29 1 157 GLN 4.39 2.94 1 158 ASN 3.86 3.01 1 159 ALA 5.38 2.45 1 160 TYR 2.27 0.74 1 161 LEU 3.23 2.37 1 162 GLU 3.68 2.89 1 163 LEU 3.42 2.37 1 166 LEU 0.14 0.06 1 169 ARG -1.01 -1.05 1 170 VAL -0.71 0.17 1 171 LEU -6.67 -1.51 1 173 PHE -2.11 -0.07 1 176 LEU -3.84 1.01 1 177 LEU 2.25 -1.32 1 178 LEU 2.29 0.58 1 180 ASP 3.50 3.36 1 181 GLU 3.41 2.62 1 182 GLN -1.45 0.60 1 183 PHE -0.18 -0.46 1 185 GLU 2.48 2.42 1 187 PHE 2.68 2.10 1 188 GLN -0.02 -1.85 1 189 PHE 0.97 2.18 1 190 ASP -3.89 -1.11 1 191 THR 2.18 0.72 1 192 ASP 1.71 2.24 1 193 GLU -0.68 -1.27 1 194 VAL 5.30 2.49 1 195 ASN 0.40 -1.62 1 196 PHE -1.28 -2.16 1 198 VAL -1.33 -2.40 1 199 ASP -4.36 -1.97 1 200 ASN 3.88 1.86 1 201 LEU 0.12 -0.74 1 203 PHE 4.54 3.65 1 204 VAL 1.81 2.35 1 206 LEU -4.74 -2.10 1 207 ILE -0.55 1.81 1 208 SER -6.89 -1.96 1 209 MET -5.71 -0.78 1 210 ILE -2.64 -0.48 1 211 ASP -1.29 -0.75 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5577_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.71 _LACS_plot.Line_1_terminator_val_y_1 6.01 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -1.57 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.72 _LACS_plot.Line_2_terminator_val_x_2 6.86 _LACS_plot.Line_2_terminator_val_y_2 -2.08 _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 175 HIS -8.71 6.91 0 10 TRP -2.65 2.43 1 11 PHE 0.35 -0.97 1 12 ASP 5.41 -2.66 1 13 ASN 0.56 -1.24 1 14 GLN -3.93 3.21 1 17 GLU -2.79 1.74 1 18 ALA -1.75 0.89 1 19 ASP -0.39 -0.14 1 20 THR 0.30 -0.87 1 21 THR 0.04 0.68 1 27 VAL -0.94 0.29 1 28 SER 0.07 0.08 1 29 PHE -2.13 0.59 1 31 LYS 1.96 -0.88 1 32 THR 1.16 -0.29 1 33 SER 0.06 0.08 1 34 ALA 2.71 -0.26 1 35 THR 6.52 -2.72 1 36 TRP 1.24 -0.49 1 37 PHE 6.12 -2.08 1 38 ALA 2.33 -0.47 1 39 LEU 3.63 -1.24 1 40 SER 4.14 -1.86 1 41 ARG 3.45 -0.62 1 42 ILE 5.56 -0.17 1 43 ALA 3.11 -1.25 1 45 LEU 0.41 0.79 1 47 ASN 0.37 0.33 1 48 ARG -0.86 0.35 1 49 ALA 0.33 -0.21 1 50 VAL -6.25 3.07 1 51 PHE 1.72 -0.01 1 52 GLN 0.89 -0.30 1 55 GLN -2.21 1.07 1 57 ASN 0.95 -0.85 1 58 LEU -1.51 0.86 1 60 ILE 5.67 -0.75 1 61 LEU 3.61 -1.24 1 62 LYS -1.29 0.29 1 63 ARG 0.51 1.20 1 64 ALA -0.16 -0.08 1 65 VAL -4.83 3.21 1 66 ALA -1.94 0.11 1 68 ASP -1.59 1.24 1 70 SER 3.75 -0.89 1 71 GLU 6.87 -2.03 1 72 SER 4.72 -1.08 1 73 ALA 3.26 -0.59 1 74 LEU 3.22 -0.27 1 75 LEU 3.61 -0.07 1 76 LYS 5.25 -0.03 1 78 ILE 5.86 -4.25 1 79 GLU 3.78 -1.37 1 80 VAL 3.91 -0.87 1 84 SER 0.34 -0.63 1 85 VAL 5.14 -1.45 1 86 MET 5.33 -2.78 1 87 GLU 3.22 -0.38 1 88 MET 3.19 1.25 1 89 ARG 4.31 -0.62 1 90 GLU 1.62 -0.17 1 91 LYS 2.33 -0.08 1 92 TYR -2.47 -0.67 1 93 THR 2.26 0.68 1 94 LYS 3.07 -1.02 1 95 ILE 1.20 1.19 1 96 VAL -7.21 4.23 1 97 GLU -6.42 5.11 1 98 ILE -0.97 1.29 1 100 PHE 2.00 0.14 1 103 THR 4.92 -1.45 1 104 ASN 3.09 -2.02 1 105 LYS 4.67 -3.21 1 106 TYR -4.50 2.38 1 108 LEU -5.91 4.78 1 109 SER 1.04 -0.36 1 110 ILE -2.00 0.80 1 111 HIS -4.37 3.61 1 112 LYS 0.25 -0.10 1 113 ASN -3.87 1.49 1 115 ASN 1.14 -0.57 1 117 SER 2.44 -0.20 1 120 LYS 2.53 -0.68 1 121 HIS -1.34 2.45 1 123 LEU -2.75 2.25 1 124 VAL -5.06 2.27 1 125 MET -4.25 4.18 1 126 LYS -7.18 4.37 1 130 GLU 4.57 -1.76 1 131 ARG 1.74 -1.40 1 132 ILE 2.97 -2.72 1 133 LEU 5.84 -2.21 1 134 ASP 2.04 0.06 1 135 ARG -0.24 -0.43 1 137 SER -1.69 0.86 1 138 SER -4.64 3.28 1 139 ILE -5.36 3.13 1 140 LEU -3.20 1.86 1 142 HIS 2.75 -0.86 1 144 LYS -3.61 2.06 1 145 GLU -0.31 0.79 1 146 GLN -2.75 1.67 1 148 LEU 0.86 -0.83 1 150 GLU 4.00 -0.41 1 151 GLU 3.98 -0.79 1 152 LEU 2.06 -0.27 1 153 LYS 6.23 -1.27 1 154 ASP 4.08 -0.72 1 155 ALA 3.68 -0.86 1 156 PHE 3.98 -1.69 1 157 GLN 4.39 -1.45 1 158 ASN 3.86 -0.85 1 159 ALA 5.38 -2.93 1 160 TYR 2.27 -1.53 1 161 LEU 3.23 -0.86 1 162 GLU 3.68 -0.79 1 163 LEU 3.42 -1.05 1 166 LEU 0.14 -0.08 1 169 ARG -1.01 -0.04 1 170 VAL -0.71 0.88 1 171 LEU -6.67 5.16 1 173 PHE -2.11 2.04 1 176 LEU -3.84 4.85 1 177 LEU 2.25 -3.57 1 178 LEU 2.29 -1.71 1 180 ASP 3.50 -0.14 1 181 GLU 3.41 -0.79 1 182 GLN -1.45 2.05 1 183 PHE -0.18 -0.28 1 185 GLU 2.48 -0.06 1 187 PHE 2.68 -0.58 1 188 GLN -0.02 -1.83 1 189 PHE 0.97 1.21 1 190 ASP -3.89 2.78 1 191 THR 2.18 -1.46 1 192 ASP 1.71 0.53 1 193 GLU -0.68 -0.59 1 194 VAL 5.30 -2.81 1 195 ASN 0.40 -2.02 1 196 PHE -1.28 -0.88 1 198 VAL -1.33 -1.07 1 199 ASP -4.36 2.39 1 200 ASN 3.88 -2.02 1 201 LEU 0.12 -0.86 1 203 PHE 4.54 -0.89 1 204 VAL 1.81 0.54 1 206 LEU -4.74 2.64 1 207 ILE -0.55 2.36 1 208 SER -6.89 4.93 1 209 MET -5.71 4.93 1 210 ILE -2.64 2.16 1 211 ASP -1.29 0.54 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5577_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -8.71 _LACS_plot.Line_1_terminator_val_y_1 1.06 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -0.20 _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 6.86 _LACS_plot.Line_2_terminator_val_y_2 -0.82 _LACS_plot.Y_axis_chem_shift_offset -0.05 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 156 PHE 3.98 -2.02 0 10 TRP -2.65 1.17 1 11 PHE 0.35 -0.09 1 12 ASP 5.41 -0.55 1 13 ASN 0.56 -0.95 1 14 GLN -3.93 0.12 1 17 GLU -2.79 0.19 1 18 ALA -1.75 -0.27 1 19 ASP -0.39 0.04 1 20 THR 0.30 0.02 1 21 THR 0.04 -0.06 1 27 VAL -0.94 0.13 1 28 SER 0.07 0.01 1 29 PHE -2.13 0.04 1 31 LYS 1.96 -0.18 1 32 THR 1.16 0.08 1 33 SER 0.06 -0.04 1 34 ALA 2.71 -0.07 1 35 THR 6.52 -0.53 1 36 TRP 1.24 -0.91 1 37 PHE 6.12 -1.18 1 38 ALA 2.33 -0.63 1 39 LEU 3.63 -0.86 1 40 SER 4.14 -1.64 1 41 ARG 3.45 -0.56 1 42 ILE 5.56 -0.92 1 43 ALA 3.11 -0.35 1 45 LEU 0.41 -0.17 1 47 ASN 0.37 -0.13 1 48 ARG -0.86 0.03 1 49 ALA 0.33 0.35 1 50 VAL -6.25 0.30 1 51 PHE 1.72 0.08 1 52 GLN 0.89 -0.02 1 55 GLN -2.21 0.24 1 57 ASN 0.95 -0.11 1 58 LEU -1.51 0.03 1 60 ILE 5.67 -1.21 1 61 LEU 3.61 -0.34 1 62 LYS -1.29 0.11 1 63 ARG 0.51 -0.26 1 64 ALA -0.16 0.13 1 65 VAL -4.83 0.43 1 66 ALA -1.94 0.38 1 68 ASP -1.59 -0.14 1 70 SER 3.75 -0.16 1 71 GLU 6.87 -0.58 1 72 SER 4.72 -0.66 1 73 ALA 3.26 -0.14 1 74 LEU 3.22 -0.59 1 75 LEU 3.61 -0.65 1 76 LYS 5.25 -0.54 1 78 ILE 5.86 -0.54 1 79 GLU 3.78 0.20 1 80 VAL 3.91 -0.28 1 84 SER 0.34 0.27 1 85 VAL 5.14 -0.46 1 86 MET 5.33 -0.15 1 87 GLU 3.22 -0.31 1 88 MET 3.19 -0.35 1 89 ARG 4.31 -0.45 1 90 GLU 1.62 -0.31 1 91 LYS 2.33 -0.28 1 92 TYR -2.47 0.71 1 93 THR 2.26 -0.39 1 94 LYS 3.07 -0.80 1 95 ILE 1.20 -0.07 1 96 VAL -7.21 0.50 1 97 GLU -6.42 0.53 1 98 ILE -0.97 0.23 1 100 PHE 2.00 -0.33 1 103 THR 4.92 -0.25 1 104 ASN 3.09 -0.55 1 105 LYS 4.67 -0.90 1 106 TYR -4.50 0.87 1 108 LEU -5.91 1.38 1 109 SER 1.04 0.20 1 110 ILE -2.00 0.84 1 111 HIS -4.37 0.55 1 112 LYS 0.25 0.28 1 113 ASN -3.87 0.03 1 115 ASN 1.14 -0.28 1 117 SER 2.44 -0.42 1 120 LYS 2.53 -0.08 1 121 HIS -1.34 0.76 1 123 LEU -2.75 0.73 1 124 VAL -5.06 0.89 1 125 MET -4.25 1.00 1 126 LYS -7.18 1.14 1 130 GLU 4.57 -0.32 1 131 ARG 1.74 0.04 1 132 ILE 2.97 -0.47 1 133 LEU 5.84 -0.80 1 134 ASP 2.04 -0.27 1 135 ARG -0.24 0.22 1 137 SER -1.69 0.41 1 138 SER -4.64 0.87 1 139 ILE -5.36 1.43 1 140 LEU -3.20 0.09 1 142 HIS 2.75 -0.44 1 144 LYS -3.61 0.39 1 145 GLU -0.31 0.31 1 146 GLN -2.75 0.49 1 148 LEU 0.86 -0.13 1 150 GLU 4.00 -0.47 1 151 GLU 3.98 -0.21 1 152 LEU 2.06 0.06 1 153 LYS 6.23 -0.50 1 154 ASP 4.08 -0.20 1 155 ALA 3.68 -0.14 1 157 GLN 4.39 -0.57 1 158 ASN 3.86 -0.45 1 159 ALA 5.38 -0.57 1 160 TYR 2.27 -0.54 1 161 LEU 3.23 -0.57 1 162 GLU 3.68 -0.47 1 163 LEU 3.42 -0.46 1 166 LEU 0.14 0.03 1 169 ARG -1.01 0.24 1 170 VAL -0.71 0.41 1 171 LEU -6.67 0.54 1 173 PHE -2.11 0.56 1 175 HIS -8.71 0.72 1 176 LEU -3.84 0.20 1 177 LEU 2.25 0.10 1 178 LEU 2.29 -0.53 1 180 ASP 3.50 -0.14 1 181 GLU 3.41 -0.42 1 182 GLN -1.45 -0.33 1 183 PHE -0.18 -0.68 1 185 GLU 2.48 -0.16 1 187 PHE 2.68 -0.82 1 188 GLN -0.02 0.01 1 189 PHE 0.97 0.03 1 190 ASP -3.89 0.35 1 191 THR 2.18 -0.05 1 192 ASP 1.71 0.10 1 193 GLU -0.68 -0.13 1 194 VAL 5.30 -0.52 1 195 ASN 0.40 0.19 1 196 PHE -1.28 0.34 1 198 VAL -1.33 0.14 1 199 ASP -4.36 0.35 1 200 ASN 3.88 -0.51 1 201 LEU 0.12 0.07 1 203 PHE 4.54 -0.54 1 204 VAL 1.81 0.09 1 206 LEU -4.74 1.90 1 207 ILE -0.55 0.72 1 208 SER -6.89 1.78 1 209 MET -5.71 0.89 1 210 ILE -2.64 0.33 1 211 ASP -1.29 0.19 1 stop_ save_