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 bmr16806_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.52 _LACS_plot.Line_1_terminator_val_y_1 -2.36 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 0.88 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.37 _LACS_plot.Line_2_terminator_val_x_2 7.87 _LACS_plot.Line_2_terminator_val_y_2 5.64 _LACS_plot.Y_axis_chem_shift_offset -0.08 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 101 ILE 0.80 -2.61 0 21 LEU 3.45 2.88 1 22 VAL 5.50 4.34 1 23 SER 3.26 3.04 1 24 VAL -0.35 -1.02 1 25 ALA 4.76 3.21 1 26 ASN 3.23 1.67 1 27 GLN 0.82 0.38 1 28 ILE 2.35 1.28 1 30 GLN 2.92 1.90 1 32 LYS -1.90 0.00 1 33 ILE -5.37 -2.43 1 34 LEU -2.40 -2.19 1 36 LEU -0.19 -0.48 1 37 ALA 2.77 0.83 1 42 ARG 5.32 2.71 1 43 ASN 4.78 3.91 1 44 ALA 3.75 3.08 1 46 PHE 3.61 2.96 1 47 LEU 3.67 2.85 1 48 ALA 3.25 2.34 1 49 SER 4.18 3.26 1 50 LEU 0.16 -0.16 1 52 TYR 1.35 1.43 1 53 GLU -0.89 -0.82 1 54 VAL -0.99 1.07 1 55 THR -1.13 0.26 1 56 ALA -3.74 -2.20 1 57 VAL -5.01 -3.37 1 58 ASP -5.23 0.47 1 59 GLN 2.03 1.72 1 60 SER -1.91 -1.36 1 61 SER 4.28 3.00 1 62 VAL 4.53 3.77 1 64 LEU 3.59 2.42 1 65 ALA 4.58 3.10 1 66 LYS 5.33 3.57 1 67 ALA 5.45 3.04 1 68 LYS 4.62 3.49 1 69 GLN 4.73 3.45 1 70 LEU 4.45 2.74 1 71 ALA 4.76 3.10 1 72 GLN 4.64 3.34 1 73 GLU 3.49 2.86 1 74 LYS 0.28 -0.20 1 76 VAL -5.88 -3.58 1 77 LYS -1.80 -0.84 1 78 ILE -4.66 -1.08 1 79 THR 0.91 1.05 1 80 THR -3.62 -2.52 1 81 VAL -3.35 -0.43 1 82 GLN -0.03 -1.68 1 83 SER -1.90 0.03 1 84 ASN 1.53 0.96 1 85 LEU 5.14 3.33 1 86 ALA 2.56 1.95 1 87 ASP -1.23 -0.16 1 88 PHE 0.42 0.89 1 89 ASP -0.79 -0.37 1 90 ILE 0.56 0.15 1 91 VAL 2.78 1.66 1 92 ALA 0.79 0.18 1 93 ASP 2.71 1.63 1 94 ALA -1.92 0.57 1 95 TRP -2.24 -0.96 1 98 ILE -1.55 0.82 1 99 VAL -3.03 -0.78 1 100 SER -2.88 -2.33 1 102 PHE 6.34 3.44 1 104 HIS 0.13 1.22 1 105 LEU -4.97 -1.29 1 107 SER 7.05 4.98 1 108 SER 4.85 3.08 1 109 LEU 2.28 1.80 1 110 ARG 7.88 5.87 1 111 GLN 3.99 2.64 1 112 GLN 0.73 1.33 1 113 LEU 1.09 2.37 1 114 TYR 3.25 2.80 1 116 LYS 5.90 4.29 1 117 VAL 5.78 4.90 1 118 TYR 3.20 2.53 1 119 GLN -0.06 1.32 1 121 LEU -6.44 -3.38 1 126 VAL -6.52 -3.00 1 127 PHE -3.49 -1.01 1 128 ILE -5.02 -1.52 1 129 LEU -3.00 -0.12 1 130 GLU 3.19 2.67 1 132 PHE -2.49 -1.06 1 133 ALA 5.12 3.65 1 135 GLU 3.81 1.42 1 136 GLN 3.54 2.16 1 137 LEU 1.60 1.00 1 138 GLN -1.20 -0.53 1 139 TYR 0.74 0.28 1 140 ASN -0.07 -1.24 1 141 THR -0.97 -1.65 1 145 LYS -3.22 -1.23 1 146 ASP 3.55 3.02 1 147 LEU 2.30 3.60 1 148 ASP -2.56 -1.05 1 150 LEU -0.69 -0.13 1 152 LYS 5.52 5.20 1 153 LEU 4.91 3.33 1 154 GLU 5.74 4.12 1 155 THR 3.85 3.64 1 156 LEU 4.49 4.08 1 157 GLN 2.98 2.73 1 158 SER 0.87 1.18 1 159 GLU -1.21 0.53 1 160 LEU 2.30 1.05 1 162 SER 1.06 -0.34 1 163 LEU -1.61 -0.86 1 164 ASN 0.88 -0.91 1 165 TRP 1.75 1.74 1 166 LEU -3.03 0.59 1 167 ILE -0.30 -0.33 1 168 ALA -4.54 -1.04 1 169 ASN -1.82 0.06 1 170 ASN -1.35 -0.16 1 171 LEU -3.94 -1.52 1 172 GLU -3.30 -1.18 1 173 ARG 0.85 0.42 1 174 ASN -0.38 -0.17 1 175 LEU 1.55 1.36 1 184 LYS -6.17 -1.75 1 185 ALA -1.80 -1.13 1 186 ALA -4.73 -0.90 1 187 LEU -3.99 -1.33 1 188 ILE -3.11 -2.38 1 189 GLN -6.35 -1.52 1 190 LEU -2.66 0.36 1 191 LEU -6.15 -2.03 1 193 GLN -0.42 -0.36 1 194 LYS -0.44 -0.05 1 195 LEU -0.54 0.11 1 196 GLU -0.12 1.38 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr16806_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.52 _LACS_plot.Line_1_terminator_val_y_1 4.16 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -1.11 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.63 _LACS_plot.Line_2_terminator_val_x_2 7.87 _LACS_plot.Line_2_terminator_val_y_2 -2.23 _LACS_plot.Y_axis_chem_shift_offset -0.08 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 101 ILE 0.80 -3.41 0 21 LEU 3.45 -0.57 1 22 VAL 5.50 -1.16 1 23 SER 3.26 -0.22 1 24 VAL -0.35 -0.67 1 25 ALA 4.76 -1.55 1 26 ASN 3.23 -1.56 1 27 GLN 0.82 -0.44 1 28 ILE 2.35 -1.07 1 30 GLN 2.92 -1.02 1 32 LYS -1.90 1.90 1 33 ILE -5.37 2.94 1 34 LEU -2.40 0.21 1 36 LEU -0.19 -0.29 1 37 ALA 2.77 -1.94 1 42 ARG 5.32 -2.61 1 43 ASN 4.78 -0.87 1 44 ALA 3.75 -0.67 1 46 PHE 3.61 -0.65 1 47 LEU 3.67 -0.82 1 48 ALA 3.25 -0.91 1 49 SER 4.18 -0.92 1 50 LEU 0.16 -0.32 1 52 TYR 1.35 0.08 1 53 GLU -0.89 0.07 1 54 VAL -0.99 2.06 1 55 THR -1.13 1.39 1 56 ALA -3.74 1.54 1 57 VAL -5.01 1.64 1 58 ASP -5.23 5.70 1 59 GLN 2.03 -0.31 1 60 SER -1.91 0.55 1 61 SER 4.28 -1.28 1 62 VAL 4.53 -0.76 1 64 LEU 3.59 -1.17 1 65 ALA 4.58 -1.48 1 66 LYS 5.33 -1.76 1 67 ALA 5.45 -2.41 1 68 LYS 4.62 -1.13 1 69 GLN 4.73 -1.28 1 70 LEU 4.45 -1.71 1 71 ALA 4.76 -1.66 1 72 GLN 4.64 -1.30 1 73 GLU 3.49 -0.63 1 74 LYS 0.28 -0.48 1 76 VAL -5.88 2.30 1 77 LYS -1.80 0.96 1 78 ILE -4.66 3.58 1 79 THR 0.91 0.14 1 80 THR -3.62 1.10 1 81 VAL -3.35 2.92 1 82 GLN -0.03 -1.65 1 83 SER -1.90 1.93 1 84 ASN 1.53 -0.57 1 85 LEU 5.14 -1.81 1 86 ALA 2.56 -0.61 1 87 ASP -1.23 1.07 1 88 PHE 0.42 0.47 1 89 ASP -0.79 0.42 1 90 ILE 0.56 -0.41 1 91 VAL 2.78 -1.12 1 92 ALA 0.79 -0.61 1 93 ASP 2.71 -1.08 1 94 ALA -1.92 2.49 1 95 TRP -2.24 1.28 1 98 ILE -1.55 2.37 1 99 VAL -3.03 2.25 1 100 SER -2.88 0.55 1 102 PHE 6.34 -2.90 1 104 HIS 0.13 1.09 1 105 LEU -4.97 3.68 1 107 SER 7.05 -2.07 1 108 SER 4.85 -1.77 1 109 LEU 2.28 -0.48 1 110 ARG 7.88 -2.01 1 111 GLN 3.99 -1.35 1 112 GLN 0.73 0.60 1 113 LEU 1.09 1.28 1 114 TYR 3.25 -0.45 1 116 LYS 5.90 -1.61 1 117 VAL 5.78 -0.88 1 118 TYR 3.20 -0.67 1 119 GLN -0.06 1.38 1 121 LEU -6.44 3.06 1 126 VAL -6.52 3.52 1 127 PHE -3.49 2.48 1 128 ILE -5.02 3.50 1 129 LEU -3.00 2.88 1 130 GLU 3.19 -0.52 1 132 PHE -2.49 1.43 1 133 ALA 5.12 -1.47 1 135 GLU 3.81 -2.39 1 136 GLN 3.54 -1.38 1 137 LEU 1.60 -0.60 1 138 GLN -1.20 0.67 1 139 TYR 0.74 -0.46 1 140 ASN -0.07 -1.17 1 141 THR -0.97 -0.68 1 145 LYS -3.22 1.99 1 146 ASP 3.55 -0.53 1 147 LEU 2.30 1.30 1 148 ASP -2.56 1.51 1 150 LEU -0.69 0.56 1 152 LYS 5.52 -0.32 1 153 LEU 4.91 -1.58 1 154 GLU 5.74 -1.62 1 155 THR 3.85 -0.21 1 156 LEU 4.49 -0.41 1 157 GLN 2.98 -0.25 1 158 SER 0.87 0.31 1 159 GLU -1.21 1.74 1 160 LEU 2.30 -1.25 1 162 SER 1.06 -1.40 1 163 LEU -1.61 0.75 1 164 ASN 0.88 -1.79 1 165 TRP 1.75 -0.01 1 166 LEU -3.03 3.62 1 167 ILE -0.30 -0.03 1 168 ALA -4.54 3.50 1 169 ASN -1.82 1.88 1 170 ASN -1.35 1.19 1 171 LEU -3.94 2.42 1 172 GLU -3.30 2.12 1 173 ARG 0.85 -0.43 1 174 ASN -0.38 0.21 1 175 LEU 1.55 -0.19 1 184 LYS -6.17 4.42 1 185 ALA -1.80 0.67 1 186 ALA -4.73 3.83 1 187 LEU -3.99 2.66 1 188 ILE -3.11 0.73 1 189 GLN -6.35 4.83 1 190 LEU -2.66 3.02 1 191 LEU -6.15 4.12 1 193 GLN -0.42 0.06 1 194 LYS -0.44 0.39 1 195 LEU -0.54 0.65 1 196 GLU -0.12 1.50 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr16806_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.52 _LACS_plot.Line_1_terminator_val_y_1 -2.69 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 0.80 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.90 _LACS_plot.Line_2_terminator_val_x_2 7.87 _LACS_plot.Line_2_terminator_val_y_2 3.22 _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 102 PHE 6.34 -2.37 0 21 LEU 3.45 0.43 1 22 VAL 5.50 2.71 1 23 SER 3.26 1.41 1 24 VAL -0.35 0.79 1 25 ALA 4.76 0.26 1 26 ASN 3.23 1.69 1 27 GLN 0.82 -0.16 1 28 ILE 2.35 0.65 1 30 GLN 2.92 0.84 1 32 LYS -1.90 0.36 1 33 ILE -5.37 -3.08 1 34 LEU -2.40 -2.36 1 36 LEU -0.19 -1.35 1 37 ALA 2.77 -0.27 1 42 ARG 5.32 2.31 1 43 ASN 4.78 2.45 1 44 ALA 3.75 2.03 1 46 PHE 3.61 2.40 1 47 LEU 3.67 2.06 1 48 ALA 3.25 4.73 1 49 SER 4.18 0.39 1 50 LEU 0.16 0.24 1 52 TYR 1.35 -0.57 1 53 GLU -0.89 0.97 1 54 VAL -0.99 -0.19 1 55 THR -1.13 -2.58 1 56 ALA -3.74 -3.77 1 57 VAL -5.01 -1.24 1 58 ASP -5.23 -1.38 1 59 GLN 2.03 1.04 1 60 SER -1.91 1.13 1 61 SER 4.28 3.23 1 62 VAL 4.53 2.66 1 64 LEU 3.59 1.88 1 65 ALA 4.58 4.22 1 66 LYS 5.33 3.27 1 67 ALA 5.45 1.74 1 68 LYS 4.62 3.46 1 69 GLN 4.73 2.50 1 70 LEU 4.45 1.23 1 71 ALA 4.76 2.20 1 72 GLN 4.64 4.34 1 73 GLU 3.49 2.80 1 74 LYS 0.28 0.56 1 76 VAL -5.88 -2.25 1 77 LYS -1.80 -0.42 1 78 ILE -4.66 -1.46 1 79 THR 0.91 -0.49 1 80 THR -3.62 -0.53 1 81 VAL -3.35 -3.21 1 82 GLN -0.03 0.10 1 83 SER -1.90 -0.78 1 85 LEU 5.14 0.56 1 86 ALA 2.56 0.43 1 87 ASP -1.23 -0.63 1 88 PHE 0.42 -1.76 1 89 ASP -0.79 -1.91 1 90 ILE 0.56 -0.87 1 91 VAL 2.78 -1.71 1 92 ALA 0.79 1.01 1 93 ASP 2.71 -1.34 1 94 ALA -1.92 0.89 1 98 ILE -1.55 -2.67 1 99 VAL -3.03 -1.99 1 100 SER -2.88 -2.25 1 101 ILE 0.80 -1.93 1 104 HIS 0.13 0.71 1 105 LEU -4.97 -2.17 1 107 SER 7.05 2.70 1 108 SER 4.85 2.04 1 109 LEU 2.28 2.30 1 110 ARG 7.88 2.05 1 111 GLN 3.99 1.37 1 112 GLN 0.73 1.93 1 113 LEU 1.09 1.45 1 114 TYR 3.25 3.65 1 116 LYS 5.90 0.27 1 117 VAL 5.78 3.02 1 118 TYR 3.20 1.44 1 119 GLN -0.06 1.86 1 121 LEU -6.44 -2.84 1 126 VAL -6.52 -1.56 1 127 PHE -3.49 -3.89 1 128 ILE -5.02 -2.12 1 129 LEU -3.00 -0.67 1 130 GLU 3.19 -0.86 1 132 PHE -2.49 0.51 1 133 ALA 5.12 0.57 1 135 GLU 3.81 2.28 1 136 GLN 3.54 1.32 1 137 LEU 1.60 0.55 1 138 GLN -1.20 0.58 1 139 TYR 0.74 1.45 1 140 ASN -0.07 -0.57 1 141 THR -0.97 -1.12 1 145 LYS -3.22 0.85 1 146 ASP 3.55 2.29 1 147 LEU 2.30 0.29 1 148 ASP -2.56 -3.63 1 150 LEU -0.69 0.90 1 152 LYS 5.52 0.88 1 153 LEU 4.91 3.43 1 154 GLU 5.74 2.47 1 155 THR 3.85 1.82 1 156 LEU 4.49 3.11 1 157 GLN 2.98 0.89 1 158 SER 0.87 0.61 1 159 GLU -1.21 -1.14 1 160 LEU 2.30 1.06 1 162 SER 1.06 -3.17 1 163 LEU -1.61 0.32 1 164 ASN 0.88 -0.31 1 165 TRP 1.75 0.95 1 166 LEU -3.03 -1.52 1 167 ILE -0.30 -2.90 1 168 ALA -4.54 -1.23 1 169 ASN -1.82 -0.97 1 170 ASN -1.35 -3.19 1 171 LEU -3.94 -0.01 1 172 GLU -3.30 -2.19 1 173 ARG 0.85 -0.29 1 174 ASN -0.38 -1.39 1 175 LEU 1.55 -1.12 1 184 LYS -6.17 -2.87 1 185 ALA -1.80 -1.03 1 186 ALA -4.73 -1.49 1 187 LEU -3.99 -1.59 1 188 ILE -3.11 -0.89 1 189 GLN -6.35 -1.82 1 190 LEU -2.66 -1.11 1 191 LEU -6.15 -1.23 1 193 GLN -0.42 -0.89 1 194 LYS -0.44 -0.51 1 195 LEU -0.54 -0.39 1 196 GLU -0.12 1.09 1 stop_ save_