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 bmr25063_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.34 _LACS_plot.Line_1_terminator_val_y_1 -3.50 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.48 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.74 _LACS_plot.Line_2_terminator_val_x_2 9.66 _LACS_plot.Line_2_terminator_val_y_2 7.04 _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 75 ILE 3.10 -1.93 0 11 ASP -1.70 -0.56 1 12 LEU 0.59 0.76 1 13 LYS -3.71 -1.47 1 14 ILE -1.39 -0.07 1 15 GLU -6.44 -2.22 1 16 LYS 2.52 1.93 1 17 LEU -1.95 0.19 1 18 ASP -5.33 -2.82 1 19 GLU 3.05 1.43 1 21 VAL -2.08 -0.32 1 22 TYR -3.70 -1.43 1 23 VAL -3.07 -2.20 1 24 HIS -8.34 -2.47 1 25 THR -0.90 -0.23 1 26 SER -5.96 -2.26 1 27 PHE -4.11 -0.14 1 28 GLU -3.47 -2.05 1 29 GLU -0.62 -0.72 1 30 VAL -1.22 -0.93 1 33 TRP -1.63 0.22 1 35 VAL 2.36 0.87 1 36 VAL -2.73 -1.00 1 38 LYS -4.91 -2.91 1 39 HIS -1.67 -1.28 1 41 LEU -5.96 -2.15 1 42 VAL -0.29 0.78 1 43 VAL -3.11 -1.82 1 44 LEU -0.67 -1.83 1 45 VAL -0.40 -0.73 1 46 ASN 4.66 2.86 1 47 ALA 1.58 0.29 1 48 GLU -3.02 -1.37 1 49 ALA -4.74 -2.41 1 50 TYR -2.97 -1.29 1 51 LEU 1.24 0.16 1 52 ILE 4.28 -0.57 1 53 ASP 5.23 2.93 1 54 THR 0.42 -1.49 1 56 PHE 2.12 3.54 1 57 THR -7.17 -3.17 1 58 ALA 4.21 3.06 1 59 LYS 4.90 3.03 1 60 ASP 3.09 2.61 1 61 THR 9.66 6.77 1 62 GLU 4.33 2.19 1 63 LYS 4.70 3.92 1 64 LEU 3.14 2.94 1 65 VAL 6.72 5.18 1 66 THR 6.24 5.32 1 67 TRP 4.81 4.74 1 68 PHE 6.45 5.87 1 69 VAL 5.56 4.04 1 70 GLU 3.45 2.11 1 71 ARG 1.53 -0.01 1 73 TYR -0.61 -0.36 1 74 LYS -2.00 -1.57 1 76 LYS -1.83 -2.04 1 78 SER -4.88 -2.06 1 79 ILE -4.80 -3.27 1 80 SER -0.91 0.50 1 81 SER 1.94 1.88 1 82 HIS 2.10 0.35 1 83 PHE 2.66 2.23 1 86 ASP 3.78 0.74 1 87 SER -0.72 2.38 1 88 THR -2.36 -0.46 1 91 ILE 8.06 6.10 1 92 GLU 5.27 3.96 1 93 TRP 6.63 5.40 1 94 LEU 5.99 3.75 1 95 ASN 4.75 2.27 1 96 SER 4.08 2.83 1 97 ARG 0.24 -1.84 1 98 SER 3.63 0.78 1 99 ILE 0.23 -0.34 1 101 THR -5.64 -3.46 1 102 TYR -3.94 -1.07 1 103 ALA -3.06 -1.20 1 104 SER -1.37 -1.07 1 105 GLU 4.15 3.32 1 106 LEU 4.30 2.44 1 107 THR 7.42 4.84 1 108 ASN 3.71 1.81 1 109 GLU 3.88 2.78 1 110 LEU 6.15 2.70 1 111 LEU 4.72 3.24 1 112 LYS 4.58 3.17 1 113 LYS 4.57 3.05 1 114 ASP -1.04 -0.05 1 116 LYS -3.54 -2.87 1 117 VAL 2.54 1.25 1 118 GLN -1.60 -0.02 1 119 ALA -0.15 -0.80 1 120 THR 2.33 1.98 1 121 ASN -3.11 -0.45 1 122 SER -4.48 -2.39 1 123 PHE -3.39 -2.57 1 124 SER -2.65 -1.28 1 126 VAL 3.04 2.23 1 127 ASN -4.11 -0.99 1 128 TYR -3.71 -0.85 1 129 TRP -0.55 -2.17 1 130 LEU 2.08 1.64 1 131 VAL -2.45 -0.88 1 132 LYS 5.18 2.95 1 133 ASN 4.34 3.01 1 134 LYS -1.98 0.71 1 135 ILE -1.11 1.02 1 136 GLU -4.24 -2.01 1 137 VAL -0.43 -1.32 1 138 PHE -5.79 -2.26 1 139 TYR -5.48 -5.40 1 148 ASN 1.22 1.67 1 149 VAL -4.50 -3.06 1 150 VAL -3.25 -3.82 1 151 VAL -3.28 -1.49 1 152 TRP -7.21 -3.23 1 153 LEU -0.77 -2.87 1 155 GLU 3.17 2.49 1 156 ARG -2.58 -3.08 1 157 LYS 5.11 0.89 1 158 ILE -3.42 -1.11 1 159 LEU -6.03 -2.72 1 160 PHE 0.82 -0.62 1 164 PHE 1.76 2.69 1 165 ILE 0.31 -3.18 1 176 ALA -2.00 -0.30 1 177 ASN -0.68 -1.47 1 179 GLU 2.69 2.46 1 180 ALA -0.66 0.49 1 181 TRP 7.62 5.62 1 183 LYS 5.38 3.74 1 185 ALA 3.43 2.52 1 188 LEU 4.18 3.15 1 189 LYS 4.16 3.01 1 190 SER 3.40 2.53 1 191 LYS 2.18 1.68 1 192 TYR 0.19 -1.18 1 194 LYS 1.41 -0.99 1 195 ALA 1.61 1.28 1 196 LYS 1.49 1.68 1 197 LEU -6.43 -1.99 1 198 VAL -1.39 -1.61 1 199 VAL -3.31 -3.12 1 203 SER -0.02 -0.65 1 204 GLU 0.38 0.35 1 205 VAL 3.28 1.78 1 207 ASP -2.37 -1.93 1 208 ALA 4.21 2.60 1 210 LEU 4.69 3.19 1 214 THR 6.13 5.75 1 216 GLU 3.42 2.90 1 217 GLN 0.32 2.30 1 220 LYS 4.30 3.51 1 223 ASN 3.38 2.78 1 224 GLU 1.60 1.44 1 225 SER 1.71 1.75 1 226 LYS 1.75 1.70 1 229 SER -0.28 -0.01 1 230 LYS -0.38 -0.13 1 232 SER -0.10 -0.03 1 233 ASN 0.52 1.86 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25063_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.34 _LACS_plot.Line_1_terminator_val_y_1 4.84 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.52 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.26 _LACS_plot.Line_2_terminator_val_x_2 9.66 _LACS_plot.Line_2_terminator_val_y_2 -2.62 _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 75 ILE 3.10 -5.03 0 11 ASP -1.70 1.14 1 12 LEU 0.59 0.17 1 13 LYS -3.71 2.24 1 14 ILE -1.39 1.32 1 15 GLU -6.44 4.22 1 16 LYS 2.52 -0.59 1 17 LEU -1.95 2.14 1 18 ASP -5.33 2.51 1 19 GLU 3.05 -1.62 1 21 VAL -2.08 1.76 1 22 TYR -3.70 2.27 1 23 VAL -3.07 0.87 1 24 HIS -8.34 5.87 1 25 THR -0.90 0.67 1 26 SER -5.96 3.70 1 27 PHE -4.11 3.97 1 28 GLU -3.47 1.42 1 29 GLU -0.62 -0.10 1 30 VAL -1.22 0.29 1 33 TRP -1.63 1.85 1 35 VAL 2.36 -1.49 1 36 VAL -2.73 1.73 1 38 LYS -4.91 2.00 1 39 HIS -1.67 0.39 1 41 LEU -5.96 3.81 1 42 VAL -0.29 1.07 1 43 VAL -3.11 1.29 1 44 LEU -0.67 -1.16 1 45 VAL -0.40 -0.33 1 46 ASN 4.66 -1.80 1 47 ALA 1.58 -1.29 1 48 GLU -3.02 1.65 1 49 ALA -4.74 2.33 1 50 TYR -2.97 1.68 1 51 LEU 1.24 -1.08 1 52 ILE 4.28 -4.85 1 53 ASP 5.23 -2.30 1 54 THR 0.42 -1.91 1 56 PHE 2.12 1.42 1 57 THR -7.17 4.00 1 58 ALA 4.21 -1.15 1 59 LYS 4.90 -1.87 1 60 ASP 3.09 -0.48 1 61 THR 9.66 -2.89 1 62 GLU 4.33 -2.14 1 63 LYS 4.70 -0.78 1 64 LEU 3.14 -0.20 1 65 VAL 6.72 -1.54 1 66 THR 6.24 -0.92 1 67 TRP 4.81 -0.07 1 68 PHE 6.45 -0.58 1 69 VAL 5.56 -1.52 1 70 GLU 3.45 -1.34 1 71 ARG 1.53 -1.54 1 73 TYR -0.61 0.25 1 74 LYS -2.00 0.43 1 76 LYS -1.83 -0.21 1 78 SER -4.88 2.82 1 79 ILE -4.80 1.53 1 80 SER -0.91 1.41 1 81 SER 1.94 -0.06 1 82 HIS 2.10 -1.75 1 83 PHE 2.66 -0.43 1 86 ASP 3.78 -3.04 1 87 SER -0.72 3.10 1 88 THR -2.36 1.90 1 91 ILE 8.06 -1.96 1 92 GLU 5.27 -1.31 1 93 TRP 6.63 -1.23 1 94 LEU 5.99 -2.24 1 95 ASN 4.75 -2.48 1 96 SER 4.08 -1.25 1 97 ARG 0.24 -2.08 1 98 SER 3.63 -2.85 1 99 ILE 0.23 -0.57 1 101 THR -5.64 2.18 1 102 TYR -3.94 2.87 1 103 ALA -3.06 1.86 1 104 SER -1.37 0.30 1 105 GLU 4.15 -0.83 1 106 LEU 4.30 -1.86 1 107 THR 7.42 -2.58 1 108 ASN 3.71 -1.90 1 109 GLU 3.88 -1.10 1 110 LEU 6.15 -3.45 1 111 LEU 4.72 -1.48 1 112 LYS 4.58 -1.41 1 113 LYS 4.57 -1.52 1 114 ASP -1.04 0.99 1 116 LYS -3.54 0.67 1 117 VAL 2.54 -1.29 1 118 GLN -1.60 1.58 1 119 ALA -0.15 -0.65 1 120 THR 2.33 -0.35 1 121 ASN -3.11 2.66 1 122 SER -4.48 2.09 1 123 PHE -3.39 0.82 1 124 SER -2.65 1.37 1 126 VAL 3.04 -0.81 1 127 ASN -4.11 3.12 1 128 TYR -3.71 2.86 1 129 TRP -0.55 -1.62 1 130 LEU 2.08 -0.44 1 131 VAL -2.45 1.57 1 132 LYS 5.18 -2.23 1 133 ASN 4.34 -1.33 1 134 LYS -1.98 2.69 1 135 ILE -1.11 2.13 1 136 GLU -4.24 2.23 1 137 VAL -0.43 -0.89 1 138 PHE -5.79 3.53 1 139 TYR -5.48 0.08 1 148 ASN 1.22 0.45 1 149 VAL -4.50 1.44 1 150 VAL -3.25 -0.57 1 151 VAL -3.28 1.79 1 152 TRP -7.21 3.98 1 153 LEU -0.77 -2.10 1 155 GLU 3.17 -0.68 1 156 ARG -2.58 -0.50 1 157 LYS 5.11 -4.22 1 158 ILE -3.42 2.31 1 159 LEU -6.03 3.31 1 160 PHE 0.82 -1.44 1 164 PHE 1.76 0.93 1 165 ILE 0.31 -3.49 1 176 ALA -2.00 1.70 1 177 ASN -0.68 -0.79 1 179 GLU 2.69 -0.23 1 180 ALA -0.66 1.15 1 181 TRP 7.62 -2.00 1 183 LYS 5.38 -1.64 1 185 ALA 3.43 -0.91 1 188 LEU 4.18 -1.03 1 189 LYS 4.16 -1.15 1 190 SER 3.40 -0.87 1 191 LYS 2.18 -0.50 1 192 TYR 0.19 -1.37 1 194 LYS 1.41 -2.40 1 195 ALA 1.61 -0.33 1 196 LYS 1.49 0.19 1 197 LEU -6.43 4.44 1 198 VAL -1.39 -0.22 1 199 VAL -3.31 0.19 1 203 SER -0.02 -0.63 1 204 GLU 0.38 -0.03 1 205 VAL 3.28 -1.50 1 207 ASP -2.37 0.44 1 208 ALA 4.21 -1.61 1 210 LEU 4.69 -1.50 1 214 THR 6.13 -0.38 1 216 GLU 3.42 -0.52 1 217 GLN 0.32 1.98 1 220 LYS 4.30 -0.79 1 223 ASN 3.38 -0.60 1 224 GLU 1.60 -0.16 1 225 SER 1.71 0.04 1 226 LYS 1.75 -0.05 1 229 SER -0.28 0.27 1 230 LYS -0.38 0.25 1 232 SER -0.10 0.07 1 233 ASN 0.52 1.34 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25063_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -8.34 _LACS_plot.Line_1_terminator_val_y_1 -2.39 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.43 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.69 _LACS_plot.Line_2_terminator_val_x_2 9.66 _LACS_plot.Line_2_terminator_val_y_2 2.62 _LACS_plot.Y_axis_chem_shift_offset 0.12 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 233 ASN 0.52 4.54 0 24 HIS -8.34 0.41 0 95 ASN 4.75 5.60 0 61 THR 9.66 -0.08 0 69 VAL 5.56 5.84 0 11 ASP -1.70 -0.64 1 12 LEU 0.59 -0.82 1 13 LYS -3.71 -0.95 1 14 ILE -1.39 -0.75 1 15 GLU -6.44 -1.60 1 16 LYS 2.52 -1.15 1 17 LEU -1.95 -2.37 1 18 ASP -5.33 -0.92 1 19 GLU 3.05 1.10 1 21 VAL -2.08 -2.35 1 22 TYR -3.70 -0.94 1 23 VAL -3.07 0.46 1 25 THR -0.90 -2.32 1 26 SER -5.96 -1.58 1 27 PHE -4.11 -1.25 1 29 GLU -0.62 -0.73 1 30 VAL -1.22 0.36 1 33 TRP -1.63 0.24 1 35 VAL 2.36 0.31 1 38 LYS -4.91 -0.88 1 39 HIS -1.67 2.09 1 41 LEU -5.96 0.72 1 42 VAL -0.29 -1.41 1 43 VAL -3.11 -1.57 1 44 LEU -0.67 -0.04 1 45 VAL -0.40 0.00 1 46 ASN 4.66 -0.66 1 47 ALA 1.58 -1.65 1 48 GLU -3.02 -2.14 1 49 ALA -4.74 -1.59 1 50 TYR -2.97 -0.41 1 51 LEU 1.24 -2.43 1 52 ILE 4.28 -1.23 1 53 ASP 5.23 -1.21 1 54 THR 0.42 0.35 1 56 PHE 2.12 1.84 1 58 ALA 4.21 2.06 1 59 LYS 4.90 3.03 1 60 ASP 3.09 2.54 1 62 GLU 4.33 2.92 1 63 LYS 4.70 2.21 1 64 LEU 3.14 0.01 1 65 VAL 6.72 2.25 1 66 THR 6.24 0.37 1 67 TRP 4.81 3.52 1 68 PHE 6.45 3.20 1 70 GLU 3.45 1.49 1 71 ARG 1.53 -0.81 1 73 TYR -0.61 -0.75 1 74 LYS -2.00 -0.26 1 75 ILE 3.10 -0.34 1 76 LYS -1.83 0.27 1 78 SER -4.88 -1.02 1 79 ILE -4.80 -2.57 1 80 SER -0.91 -0.29 1 81 SER 1.94 -0.78 1 82 HIS 2.10 1.83 1 83 PHE 2.66 -0.76 1 86 ASP 3.78 -2.45 1 87 SER -0.72 3.36 1 88 THR -2.36 2.03 1 91 ILE 8.06 0.65 1 92 GLU 5.27 2.35 1 93 TRP 6.63 4.53 1 94 LEU 5.99 2.26 1 96 SER 4.08 0.32 1 97 ARG 0.24 -0.78 1 98 SER 3.63 -0.30 1 99 ILE 0.23 -0.14 1 101 THR -5.64 0.17 1 102 TYR -3.94 0.56 1 103 ALA -3.06 -3.52 1 104 SER -1.37 0.21 1 105 GLU 4.15 2.83 1 106 LEU 4.30 1.19 1 107 THR 7.42 1.95 1 108 ASN 3.71 3.80 1 109 GLU 3.88 2.82 1 110 LEU 6.15 2.81 1 111 LEU 4.72 1.49 1 112 LYS 4.58 4.88 1 113 LYS 4.57 1.16 1 114 ASP -1.04 0.46 1 116 LYS -3.54 -0.56 1 117 VAL 2.54 -0.37 1 118 GLN -1.60 1.88 1 119 ALA -0.15 1.30 1 120 THR 2.33 0.12 1 121 ASN -3.11 -1.80 1 122 SER -4.48 -0.39 1 123 PHE -3.39 -1.83 1 124 SER -2.65 -0.25 1 126 VAL 3.04 -1.22 1 127 ASN -4.11 -1.24 1 128 TYR -3.71 -1.77 1 129 TRP -0.55 -1.73 1 130 LEU 2.08 -0.48 1 131 VAL -2.45 0.62 1 132 LYS 5.18 -0.68 1 133 ASN 4.34 -1.31 1 134 LYS -1.98 -0.18 1 135 ILE -1.11 -2.85 1 136 GLU -4.24 -2.63 1 137 VAL -0.43 -1.20 1 138 PHE -5.79 -2.62 1 139 TYR -5.48 -4.06 1 148 ASN 1.22 0.43 1 149 VAL -4.50 -0.16 1 150 VAL -3.25 -1.33 1 151 VAL -3.28 -3.27 1 152 TRP -7.21 -2.22 1 153 LEU -0.77 -0.38 1 155 GLU 3.17 1.80 1 156 ARG -2.58 -1.19 1 157 LYS 5.11 -0.97 1 158 ILE -3.42 -3.39 1 159 LEU -6.03 -1.74 1 160 PHE 0.82 -1.42 1 164 PHE 1.76 -1.10 1 165 ILE 0.31 2.91 1 179 GLU 2.69 1.99 1 180 ALA -0.66 1.27 1 183 LYS 5.38 3.68 1 188 LEU 4.18 0.58 1 189 LYS 4.16 1.30 1 190 SER 3.40 1.56 1 191 LYS 2.18 1.63 1 192 TYR 0.19 -0.45 1 194 LYS 1.41 -0.44 1 195 ALA 1.61 -1.21 1 196 LYS 1.49 0.28 1 197 LEU -6.43 -2.16 1 198 VAL -1.39 -2.09 1 199 VAL -3.31 -1.56 1 204 GLU 0.38 -0.05 1 205 VAL 3.28 0.22 1 232 SER -0.10 -0.75 1 stop_ save_