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 bmr27070_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.59 _LACS_plot.Line_1_terminator_val_y_1 -2.46 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.85 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.42 _LACS_plot.Line_2_terminator_val_x_2 6.90 _LACS_plot.Line_2_terminator_val_y_2 5.47 _LACS_plot.Y_axis_chem_shift_offset -0.10 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 137 TYR -5.81 -0.78 0 209 LYS 5.38 1.07 0 112 LYS 1.70 -1.48 0 44 LYS 6.22 1.48 0 72 LYS 5.35 0.72 0 10 ARG 1.97 -0.05 1 11 ALA 0.32 0.51 1 12 TRP -3.37 -1.97 1 13 THR -2.90 -1.62 1 14 VAL 6.90 5.28 1 15 GLU 4.92 3.75 1 16 GLN 3.86 3.22 1 17 LEU 1.59 2.55 1 18 ARG 2.04 1.68 1 19 SER -0.42 0.01 1 20 GLU 1.93 1.11 1 21 GLN 2.29 1.41 1 22 LEU -2.71 -2.01 1 24 LYS 5.58 4.90 1 25 LYS 5.50 3.94 1 26 ASP 4.44 3.44 1 27 ILE 4.45 4.19 1 28 ILE 6.10 5.50 1 29 LYS 4.55 4.23 1 30 PHE 4.88 4.86 1 31 LEU 4.26 3.72 1 32 GLN 4.94 3.56 1 33 GLU 1.27 1.36 1 34 HIS -0.06 2.50 1 36 SER -0.84 -0.42 1 37 ASP 5.57 4.39 1 38 SER 5.11 2.75 1 39 PHE 4.86 4.60 1 40 LEU 3.44 3.01 1 41 ALA 3.96 2.83 1 42 GLU 2.77 2.48 1 43 HIS 1.45 2.23 1 45 LEU -3.57 -1.78 1 46 LEU -0.93 -0.41 1 48 ASN 0.47 0.89 1 49 ILE 6.02 5.08 1 50 LYS 4.36 3.35 1 51 ASN 2.99 2.44 1 52 VAL 4.35 3.50 1 53 ALA 3.37 2.46 1 54 LYS 2.52 2.43 1 55 THR 0.34 0.24 1 56 ALA -1.79 -1.06 1 57 ASN -2.59 -1.83 1 58 LYS 4.94 3.90 1 59 ASP 5.05 4.05 1 60 HIS 1.64 4.14 1 61 LEU 3.48 2.46 1 62 VAL 6.49 5.28 1 63 THR 6.36 4.94 1 64 ALA 3.76 3.17 1 65 TYR 4.45 4.89 1 66 ASN 4.73 3.20 1 67 HIS 1.83 3.33 1 68 LEU 6.60 3.51 1 69 PHE 4.90 4.89 1 70 GLU 2.01 2.64 1 71 THR -0.35 0.73 1 73 ARG 1.90 -0.63 1 74 PHE -2.42 -1.53 1 75 LYS 2.89 2.11 1 77 THR 0.08 0.50 1 78 GLU -0.15 0.31 1 79 SER 0.11 0.08 1 80 ILE 0.26 0.25 1 81 SER 0.02 0.06 1 82 LYS 0.27 0.18 1 83 VAL 0.66 0.53 1 84 SER 0.37 0.31 1 85 GLU -0.15 0.28 1 86 GLN 0.71 0.58 1 87 VAL 1.00 0.56 1 88 LYS 0.21 0.24 1 89 ASN 0.20 0.17 1 90 VAL 0.35 0.14 1 91 LYS 0.27 0.00 1 92 LEU 0.07 0.16 1 93 ASN 0.25 0.30 1 94 GLU -0.59 -0.03 1 95 ASP 0.20 0.22 1 96 LYS 0.07 -0.01 1 98 LYS 0.34 0.33 1 99 GLU -0.62 -0.03 1 100 THR -0.08 0.07 1 101 LYS -0.03 0.00 1 102 SER 0.22 0.20 1 103 GLU -0.12 0.12 1 104 GLU -0.53 0.05 1 105 THR 0.18 0.06 1 106 LEU -0.11 -0.07 1 107 ASP -0.03 0.04 1 108 GLU -0.82 -0.07 1 113 TYR -5.21 -1.81 1 114 THR -2.62 -0.89 1 115 LYS -4.21 -0.87 1 116 SER -2.32 -1.50 1 117 VAL 4.32 3.10 1 118 LEU 0.79 0.63 1 119 LYS -3.10 -0.29 1 120 LYS 1.40 1.54 1 122 ASP 1.10 0.42 1 123 LYS 4.38 1.95 1 124 THR 0.58 2.93 1 125 ASN -0.19 0.53 1 126 PHE -3.41 -1.28 1 128 LYS -4.16 -2.75 1 129 LYS 4.31 3.10 1 131 ASP 0.38 0.69 1 132 VAL 1.30 0.32 1 133 VAL -4.87 -4.15 1 134 HIS -5.17 -0.88 1 136 TRP -5.29 -2.01 1 138 THR -0.59 1.62 1 141 LEU -1.75 -1.43 1 142 GLN 4.14 3.14 1 143 ASP 0.35 -0.79 1 145 THR 3.36 2.85 1 146 VAL 0.90 0.13 1 147 PHE -1.57 -1.14 1 148 ASP -2.00 0.79 1 150 ASN -1.36 -1.67 1 151 ILE 0.59 0.15 1 152 GLN -0.65 -0.78 1 153 THR 0.35 0.32 1 155 ALA 1.89 1.66 1 156 LYS 1.48 1.09 1 157 LYS 0.85 0.69 1 158 LYS 1.39 1.32 1 159 LYS 1.66 1.38 1 160 ASN 0.01 -0.05 1 161 ALA -0.44 0.36 1 162 LYS -2.12 -0.80 1 164 LEU -0.57 0.41 1 165 SER -4.31 -2.86 1 166 PHE -1.95 -1.87 1 167 LYS -1.35 -0.64 1 168 VAL -0.98 -0.19 1 170 VAL -1.68 -2.52 1 172 LYS 1.95 0.40 1 174 ILE 1.48 0.98 1 175 ARG 4.95 3.72 1 177 TRP 0.51 0.88 1 178 ASP 2.40 3.36 1 179 GLU 2.44 1.97 1 180 ALA 1.07 2.41 1 181 LEU 2.69 3.20 1 182 LEU 2.76 1.52 1 184 MET -2.00 0.36 1 186 LYS 4.75 4.37 1 188 GLU -3.02 0.07 1 189 LYS -5.22 -1.88 1 190 ALA -6.49 -1.93 1 191 ARG -2.61 -1.20 1 192 LEU -4.76 -2.58 1 193 GLU -1.95 -1.01 1 194 ILE 0.28 2.92 1 197 GLU 4.22 3.39 1 198 TRP -0.54 -1.54 1 199 ALA -0.63 -0.91 1 200 TYR 2.39 1.33 1 202 LYS 2.45 2.39 1 203 LYS 1.60 1.72 1 205 GLN -1.46 -0.04 1 207 ASP 3.35 2.39 1 208 ALA -1.81 -1.40 1 210 ILE -0.33 -0.48 1 213 ASN 2.83 1.27 1 214 ALA -1.28 -0.09 1 215 LYS 0.40 0.05 1 216 LEU -4.87 -1.30 1 218 PHE -6.36 -1.61 1 219 GLU -2.06 -0.45 1 220 VAL -4.64 -1.61 1 221 GLU -6.59 -2.70 1 222 LEU -0.45 -1.15 1 223 VAL 1.73 1.86 1 224 ASP -4.19 -1.24 1 225 ILE -4.29 -0.32 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27070_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.59 _LACS_plot.Line_1_terminator_val_y_1 4.13 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.15 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.58 _LACS_plot.Line_2_terminator_val_x_2 6.90 _LACS_plot.Line_2_terminator_val_y_2 -1.43 _LACS_plot.Y_axis_chem_shift_offset -0.10 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 137 TYR -5.81 5.03 0 209 LYS 5.38 -4.31 0 112 LYS 1.70 -3.18 0 44 LYS 6.22 -4.74 0 72 LYS 5.35 -4.63 0 10 ARG 1.97 -2.02 1 11 ALA 0.32 0.19 1 12 TRP -3.37 1.40 1 13 THR -2.90 1.28 1 14 VAL 6.90 -1.62 1 15 GLU 4.92 -1.17 1 16 GLN 3.86 -0.64 1 17 LEU 1.59 0.96 1 18 ARG 2.04 -0.36 1 19 SER -0.42 0.43 1 20 GLU 1.93 -0.82 1 21 GLN 2.29 -0.88 1 22 LEU -2.71 0.70 1 24 LYS 5.58 -0.68 1 25 LYS 5.50 -1.56 1 26 ASP 4.44 -1.00 1 27 ILE 4.45 -0.26 1 28 ILE 6.10 -0.60 1 29 LYS 4.55 -0.32 1 30 PHE 4.88 -0.02 1 31 LEU 4.26 -0.54 1 32 GLN 4.94 -1.38 1 33 GLU 1.27 0.09 1 34 HIS -0.06 2.56 1 36 SER -0.84 0.42 1 37 ASP 5.57 -1.18 1 38 SER 5.11 -2.36 1 39 PHE 4.86 -0.26 1 40 LEU 3.44 -0.43 1 41 ALA 3.96 -1.13 1 42 GLU 2.77 -0.29 1 43 HIS 1.45 0.78 1 45 LEU -3.57 1.79 1 46 LEU -0.93 0.52 1 48 ASN 0.47 0.42 1 49 ILE 6.02 -0.94 1 50 LYS 4.36 -1.01 1 51 ASN 2.99 -0.55 1 52 VAL 4.35 -0.85 1 53 ALA 3.37 -0.91 1 54 LYS 2.52 -0.09 1 55 THR 0.34 -0.10 1 56 ALA -1.79 0.73 1 57 ASN -2.59 0.76 1 58 LYS 4.94 -1.04 1 59 ASP 5.05 -1.00 1 60 HIS 1.64 2.50 1 61 LEU 3.48 -1.02 1 62 VAL 6.49 -1.21 1 63 THR 6.36 -1.42 1 64 ALA 3.76 -0.59 1 65 TYR 4.45 0.44 1 66 ASN 4.73 -1.53 1 67 HIS 1.83 1.50 1 68 LEU 6.60 -3.09 1 69 PHE 4.90 -0.01 1 70 GLU 2.01 0.63 1 71 THR -0.35 1.08 1 73 ARG 1.90 -2.53 1 74 PHE -2.42 0.89 1 75 LYS 2.89 -0.78 1 77 THR 0.08 0.42 1 78 GLU -0.15 0.46 1 79 SER 0.11 -0.03 1 80 ILE 0.26 -0.01 1 81 SER 0.02 0.04 1 82 LYS 0.27 -0.09 1 83 VAL 0.66 -0.13 1 84 SER 0.37 -0.06 1 85 GLU -0.15 0.43 1 86 GLN 0.71 -0.13 1 87 VAL 1.00 -0.44 1 88 LYS 0.21 0.03 1 89 ASN 0.20 -0.03 1 90 VAL 0.35 -0.21 1 91 LYS 0.27 -0.27 1 92 LEU 0.07 0.09 1 93 ASN 0.25 0.05 1 94 GLU -0.59 0.56 1 95 ASP 0.20 0.02 1 96 LYS 0.07 -0.08 1 98 LYS 0.34 -0.01 1 99 GLU -0.62 0.59 1 100 THR -0.08 0.15 1 101 LYS -0.03 0.03 1 102 SER 0.22 -0.02 1 103 GLU -0.12 0.24 1 104 GLU -0.53 0.58 1 105 THR 0.18 -0.12 1 106 LEU -0.11 0.04 1 107 ASP -0.03 0.07 1 108 GLU -0.82 0.75 1 113 TYR -5.21 3.40 1 114 THR -2.62 1.73 1 115 LYS -4.21 3.34 1 116 SER -2.32 0.82 1 117 VAL 4.32 -1.22 1 118 LEU 0.79 -0.16 1 119 LYS -3.10 2.81 1 120 LYS 1.40 0.14 1 122 ASP 1.10 -0.68 1 123 LYS 4.38 -2.43 1 124 THR 0.58 2.35 1 125 ASN -0.19 0.72 1 126 PHE -3.41 2.13 1 128 LYS -4.16 1.41 1 129 LYS 4.31 -1.21 1 131 ASP 0.38 0.31 1 132 VAL 1.30 -0.98 1 133 VAL -4.87 0.72 1 134 HIS -5.17 4.29 1 136 TRP -5.29 3.28 1 138 THR -0.59 2.21 1 141 LEU -1.75 0.32 1 142 GLN 4.14 -1.00 1 143 ASP 0.35 -1.14 1 145 THR 3.36 -0.51 1 146 VAL 0.90 -0.77 1 147 PHE -1.57 0.43 1 148 ASP -2.00 2.79 1 150 ASN -1.36 -0.31 1 151 ILE 0.59 -0.44 1 152 GLN -0.65 -0.13 1 153 THR 0.35 -0.03 1 155 ALA 1.89 -0.23 1 156 LYS 1.48 -0.39 1 157 LYS 0.85 -0.16 1 158 LYS 1.39 -0.07 1 159 LYS 1.66 -0.28 1 160 ASN 0.01 -0.06 1 161 ALA -0.44 0.80 1 162 LYS -2.12 1.32 1 164 LEU -0.57 0.98 1 165 SER -4.31 1.45 1 166 PHE -1.95 0.08 1 167 LYS -1.35 0.71 1 168 VAL -0.98 0.79 1 170 VAL -1.68 -0.84 1 172 LYS 1.95 -1.55 1 174 ILE 1.48 -0.50 1 175 ARG 4.95 -1.23 1 177 TRP 0.51 0.37 1 178 ASP 2.40 0.96 1 179 GLU 2.44 -0.47 1 180 ALA 1.07 1.34 1 181 LEU 2.69 0.51 1 182 LEU 2.76 -1.24 1 184 MET -2.00 2.36 1 186 LYS 4.75 -0.38 1 188 GLU -3.02 3.09 1 189 LYS -5.22 3.34 1 190 ALA -6.49 4.56 1 191 ARG -2.61 1.41 1 192 LEU -4.76 2.18 1 193 GLU -1.95 0.94 1 194 ILE 0.28 2.64 1 197 GLU 4.22 -0.83 1 198 TRP -0.54 -1.00 1 199 ALA -0.63 -0.28 1 200 TYR 2.39 -1.06 1 202 LYS 2.45 -0.06 1 203 LYS 1.60 0.12 1 205 GLN -1.46 1.42 1 207 ASP 3.35 -0.96 1 208 ALA -1.81 0.41 1 210 ILE -0.33 -0.15 1 213 ASN 2.83 -1.56 1 214 ALA -1.28 1.19 1 215 LYS 0.40 -0.35 1 216 LEU -4.87 3.57 1 218 PHE -6.36 4.75 1 219 GLU -2.06 1.61 1 220 VAL -4.64 3.03 1 221 GLU -6.59 3.89 1 222 LEU -0.45 -0.70 1 223 VAL 1.73 0.13 1 224 ASP -4.19 2.95 1 225 ILE -4.29 3.97 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27070_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.59 _LACS_plot.Line_1_terminator_val_y_1 -2.73 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.52 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.95 _LACS_plot.Line_2_terminator_val_x_2 6.90 _LACS_plot.Line_2_terminator_val_y_2 2.02 _LACS_plot.Y_axis_chem_shift_offset 0.26 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 134 HIS -5.17 2.65 0 10 ARG 1.97 -0.87 1 11 ALA 0.32 -0.68 1 12 TRP -3.37 0.96 1 13 THR -2.90 0.93 1 14 VAL 6.90 0.76 1 15 GLU 4.92 3.16 1 16 GLN 3.86 3.08 1 17 LEU 1.59 0.54 1 18 ARG 2.04 -0.13 1 19 SER -0.42 0.86 1 20 GLU 1.93 0.93 1 21 GLN 2.29 -0.98 1 22 LEU -2.71 -2.65 1 24 LYS 5.58 2.53 1 25 LYS 5.50 0.33 1 26 ASP 4.44 3.05 1 27 ILE 4.45 1.75 1 28 ILE 6.10 0.74 1 29 LYS 4.55 1.51 1 30 PHE 4.88 2.55 1 31 LEU 4.26 1.15 1 32 GLN 4.94 2.03 1 33 GLU 1.27 1.09 1 34 HIS -0.06 1.72 1 36 SER -0.84 -0.57 1 37 ASP 5.57 2.71 1 38 SER 5.11 2.18 1 39 PHE 4.86 2.02 1 40 LEU 3.44 2.18 1 41 ALA 3.96 4.16 1 42 GLU 2.77 1.07 1 43 HIS 1.45 -1.36 1 44 LYS 6.22 0.16 1 45 LEU -3.57 -2.32 1 46 LEU -0.93 -0.80 1 48 ASN 0.47 2.32 1 49 ILE 6.02 -0.13 1 50 LYS 4.36 2.24 1 51 ASN 2.99 2.88 1 52 VAL 4.35 1.79 1 53 ALA 3.37 0.05 1 54 LYS 2.52 1.80 1 55 THR 0.34 -0.42 1 56 ALA -1.79 -1.96 1 57 ASN -2.59 0.76 1 58 LYS 4.94 1.28 1 59 ASP 5.05 2.59 1 60 HIS 1.64 4.37 1 61 LEU 3.48 0.64 1 62 VAL 6.49 1.35 1 63 THR 6.36 1.81 1 64 ALA 3.76 0.33 1 65 TYR 4.45 0.90 1 66 ASN 4.73 3.69 1 67 HIS 1.83 4.48 1 68 LEU 6.60 -0.50 1 69 PHE 4.90 2.07 1 70 GLU 2.01 1.97 1 71 THR -0.35 0.34 1 72 LYS 5.35 0.34 1 73 ARG 1.90 -1.68 1 74 PHE -2.42 1.67 1 75 LYS 2.89 0.52 1 77 THR 0.08 0.19 1 78 GLU -0.15 -0.10 1 79 SER 0.11 -0.05 1 80 ILE 0.26 -0.02 1 81 SER 0.02 -0.10 1 82 LYS 0.27 0.14 1 83 VAL 0.66 0.07 1 84 SER 0.37 0.07 1 85 GLU -0.15 -0.08 1 86 GLN 0.71 0.17 1 87 VAL 1.00 -0.11 1 88 LYS 0.21 -0.42 1 89 ASN 0.20 -0.11 1 90 VAL 0.35 -0.37 1 91 LYS 0.27 -0.21 1 92 LEU 0.07 -0.52 1 93 ASN 0.25 -0.08 1 94 GLU -0.59 -0.60 1 95 ASP 0.20 -0.50 1 96 LYS 0.07 -0.49 1 98 LYS 0.34 0.13 1 99 GLU -0.62 -0.07 1 100 THR -0.08 -0.38 1 101 LYS -0.03 -0.14 1 102 SER 0.22 0.03 1 103 GLU -0.12 -0.16 1 104 GLU -0.53 -0.10 1 105 THR 0.18 -0.38 1 106 LEU -0.11 -0.74 1 107 ASP -0.03 -0.17 1 108 GLU -0.82 0.16 1 112 LYS 1.70 -2.58 1 113 TYR -5.21 -2.56 1 114 THR -2.62 -1.52 1 115 LYS -4.21 -1.40 1 116 SER -2.32 -0.75 1 117 VAL 4.32 -0.59 1 118 LEU 0.79 -0.28 1 119 LYS -3.10 -1.85 1 120 LYS 1.40 0.84 1 122 ASP 1.10 2.18 1 123 LYS 4.38 -1.63 1 124 THR 0.58 -1.92 1 125 ASN -0.19 -3.54 1 126 PHE -3.41 2.40 1 128 LYS -4.16 -0.92 1 129 LYS 4.31 1.14 1 131 ASP 0.38 -1.32 1 132 VAL 1.30 -0.99 1 133 VAL -4.87 -2.90 1 136 TRP -5.29 0.31 1 137 TYR -5.81 -2.62 1 138 THR -0.59 -1.57 1 141 LEU -1.75 2.87 1 142 GLN 4.14 0.62 1 143 ASP 0.35 0.81 1 145 THR 3.36 -0.51 1 146 VAL 0.90 0.15 1 147 PHE -1.57 -0.64 1 148 ASP -2.00 -2.95 1 150 ASN -1.36 -0.46 1 151 ILE 0.59 0.04 1 153 THR 0.35 0.27 1 155 ALA 1.89 0.92 1 156 LYS 1.48 0.53 1 157 LYS 0.85 0.65 1 158 LYS 1.39 0.65 1 159 LYS 1.66 -0.03 1 160 ASN 0.01 -0.54 1 161 ALA -0.44 -0.75 1 162 LYS -2.12 -1.45 1 164 LEU -0.57 -1.80 1 165 SER -4.31 -0.49 1 166 PHE -1.95 -3.57 1 167 LYS -1.35 -1.09 1 168 VAL -0.98 -0.82 1 170 VAL -1.68 0.16 1 172 LYS 1.95 -0.45 1 174 ILE 1.48 0.33 1 175 ARG 4.95 2.00 1 177 TRP 0.51 0.15 1 178 ASP 2.40 1.88 1 179 GLU 2.44 3.64 1 180 ALA 1.07 4.67 1 181 LEU 2.69 0.09 1 182 LEU 2.76 0.39 1 184 MET -2.00 -4.12 1 186 LYS 4.75 -0.21 1 188 GLU -3.02 -1.61 1 189 LYS -5.22 -1.50 1 190 ALA -6.49 -3.51 1 191 ARG -2.61 -1.06 1 192 LEU -4.76 -1.76 1 193 GLU -1.95 0.20 1 194 ILE 0.28 -0.26 1 197 GLU 4.22 1.42 1 198 TRP -0.54 -3.44 1 199 ALA -0.63 -1.61 1 200 TYR 2.39 0.93 1 202 LYS 2.45 0.62 1 203 LYS 1.60 2.73 1 207 ASP 3.35 0.17 1 208 ALA -1.81 -2.44 1 209 LYS 5.38 -1.47 1 210 ILE -0.33 0.08 1 213 ASN 2.83 -2.10 1 214 ALA -1.28 -1.59 1 215 LYS 0.40 0.18 1 216 LEU -4.87 -2.04 1 218 PHE -6.36 -0.12 1 219 GLU -2.06 -0.65 1 220 VAL -4.64 -3.23 1 221 GLU -6.59 -1.18 1 222 LEU -0.45 -3.11 1 223 VAL 1.73 -0.36 1 224 ASP -4.19 -3.19 1 225 ILE -4.29 -1.51 1 stop_ save_