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 bmr27577_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -5.90 _LACS_plot.Line_1_terminator_val_y_1 -2.83 _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 -1.81 _LACS_plot.Line_2_terminator_val_x_2 9.86 _LACS_plot.Line_2_terminator_val_y_2 6.57 _LACS_plot.Y_axis_chem_shift_offset 0.59 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 112 HIS -0.23 3.84 0 10 GLN 0.09 -0.13 1 11 ALA -1.89 -1.57 1 12 ILE -3.69 -1.60 1 13 LYS 0.37 -0.46 1 15 VAL -1.35 -1.58 1 16 VAL -0.54 -1.42 1 17 VAL -5.54 -3.81 1 19 ASP 1.84 1.37 1 21 ALA 4.52 1.05 1 22 VAL 3.16 0.97 1 24 LYS 8.22 4.15 1 27 LEU 5.14 3.93 1 28 LEU 4.10 2.23 1 29 ILE 5.38 4.35 1 30 SER 3.61 2.87 1 31 TYR 2.64 2.58 1 32 THR 2.56 2.15 1 33 THR -1.30 0.21 1 34 ASN 3.24 1.87 1 35 ALA -2.64 -1.33 1 36 PHE -0.99 -0.73 1 39 GLU 0.57 0.35 1 40 TYR 0.33 -0.81 1 41 ILE -3.82 -3.54 1 49 SER -2.44 -1.69 1 50 ALA -4.02 -1.92 1 51 ASN -0.37 -0.72 1 52 VAL -4.30 -2.19 1 53 MET -1.43 -1.70 1 54 VAL -1.58 -0.98 1 55 ASP 3.24 0.83 1 57 LYS -2.05 -1.93 1 59 VAL -4.11 -1.94 1 60 ASN -1.02 -1.09 1 61 LEU -2.20 -1.32 1 63 LEU -2.95 -1.46 1 64 TRP -1.02 -0.82 1 65 ASP -3.86 -2.65 1 66 THR -5.61 -1.55 1 67 ALA -1.53 -2.30 1 70 GLU 3.11 1.66 1 71 ASP 3.36 1.34 1 72 TYR 2.50 2.37 1 78 LEU 4.65 1.69 1 79 SER 1.64 1.09 1 80 TYR 2.48 -1.74 1 84 ASP -0.24 2.05 1 85 VAL -1.07 -2.10 1 86 PHE -3.55 -0.80 1 87 LEU -0.31 -1.95 1 88 ILE 1.08 -0.30 1 90 PHE -1.78 -1.49 1 91 SER -3.52 -4.03 1 92 LEU 2.90 2.23 1 93 VAL -0.01 -3.42 1 94 SER -3.08 -4.53 1 96 ALA 4.48 2.79 1 97 SER 2.91 2.59 1 98 PHE 2.21 1.39 1 99 GLU 4.08 2.07 1 100 ASN 2.45 1.08 1 101 VAL 8.82 6.03 1 102 ARG 2.88 1.81 1 103 ALA 1.48 1.34 1 104 LYS -0.74 0.68 1 105 TRP 1.62 2.73 1 106 TYR 8.30 5.63 1 108 GLU 4.19 3.73 1 109 VAL 7.23 4.15 1 110 ARG 3.87 0.82 1 111 HIS 3.24 3.54 1 118 ILE -5.20 -1.45 1 119 ILE -0.92 -2.01 1 120 LEU -2.88 -1.72 1 121 VAL -3.18 -2.16 1 123 THR -1.83 -1.85 1 124 LYS 5.58 0.57 1 125 LEU 3.00 2.63 1 126 ASP 2.22 1.10 1 127 LEU 0.79 -0.15 1 128 ARG 5.49 3.92 1 129 ASP -1.29 -1.59 1 130 ASP -2.18 -0.30 1 131 LYS 5.58 3.83 1 132 ASP 4.43 3.51 1 134 ILE 6.11 4.15 1 135 GLU 4.14 2.63 1 136 LYS 4.66 2.71 1 137 LEU 4.70 2.85 1 138 LYS 5.09 3.28 1 139 GLU 3.20 2.30 1 140 LYS -0.20 -1.49 1 141 LYS 5.98 0.63 1 142 LEU -5.17 -2.31 1 143 THR -1.53 -1.27 1 145 ILE 1.80 -1.55 1 146 THR -2.51 -1.62 1 147 TYR 9.87 6.64 1 149 GLN 3.85 2.86 1 151 LEU 3.02 1.95 1 152 ALA 4.29 2.01 1 153 MET 3.20 1.07 1 154 ALA 3.42 2.05 1 155 LYS 4.31 2.30 1 156 GLU 3.78 2.47 1 157 ILE 1.57 -0.82 1 159 ALA -0.22 -1.01 1 160 VAL 3.21 1.90 1 161 LYS -5.70 -2.11 1 162 TYR -4.01 -2.81 1 163 LEU -5.90 -2.64 1 164 GLU -5.79 -3.54 1 166 SER -3.55 -2.61 1 167 ALA 2.11 1.65 1 168 LEU 2.22 2.34 1 169 THR -0.50 -0.86 1 170 GLN 7.36 3.08 1 171 ARG 3.48 1.49 1 173 LEU 3.25 3.32 1 174 LYS 5.82 3.81 1 175 THR 5.37 4.15 1 176 VAL 6.43 3.95 1 177 PHE 5.34 3.96 1 178 ASP 4.61 3.55 1 179 GLU 3.68 1.13 1 180 ALA 5.45 2.64 1 181 ILE 5.71 4.05 1 182 ARG 5.83 4.09 1 183 ALA 3.34 1.23 1 184 VAL 1.94 1.31 1 185 LEU 1.76 0.99 1 190 VAL 0.66 -0.15 1 191 LYS 0.67 -0.33 1 192 LYS 1.49 1.09 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27577_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -5.90 _LACS_plot.Line_1_terminator_val_y_1 3.07 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -2.07 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.19 _LACS_plot.Line_2_terminator_val_x_2 9.86 _LACS_plot.Line_2_terminator_val_y_2 -3.29 _LACS_plot.Y_axis_chem_shift_offset 0.59 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 112 HIS -0.23 4.07 0 10 GLN 0.09 -0.22 1 11 ALA -1.89 0.32 1 12 ILE -3.69 2.09 1 13 LYS 0.37 -0.83 1 15 VAL -1.35 -0.23 1 16 VAL -0.54 -0.88 1 17 VAL -5.54 1.73 1 19 ASP 1.84 -0.47 1 21 ALA 4.52 -3.47 1 22 VAL 3.16 -2.19 1 24 LYS 8.22 -4.07 1 27 LEU 5.14 -1.21 1 28 LEU 4.10 -1.87 1 29 ILE 5.38 -1.03 1 30 SER 3.61 -0.74 1 31 TYR 2.64 -0.06 1 32 THR 2.56 -0.41 1 33 THR -1.30 1.51 1 34 ASN 3.24 -1.37 1 35 ALA -2.64 1.31 1 36 PHE -0.99 0.26 1 39 GLU 0.57 -0.22 1 40 TYR 0.33 -1.14 1 41 ILE -3.82 0.28 1 49 SER -2.44 0.75 1 50 ALA -4.02 2.10 1 51 ASN -0.37 -0.35 1 52 VAL -4.30 2.11 1 53 MET -1.43 -0.27 1 54 VAL -1.58 0.60 1 55 ASP 3.24 -2.41 1 57 LYS -2.05 0.12 1 59 VAL -4.11 2.17 1 60 ASN -1.02 -0.07 1 61 LEU -2.20 0.88 1 63 LEU -2.95 1.49 1 64 TRP -1.02 0.20 1 65 ASP -3.86 1.21 1 66 THR -5.61 4.06 1 67 ALA -1.53 -0.77 1 70 GLU 3.11 -1.45 1 71 ASP 3.36 -2.02 1 72 TYR 2.50 -0.13 1 78 LEU 4.65 -2.96 1 79 SER 1.64 -0.55 1 80 TYR 2.48 -4.22 1 84 ASP -0.24 2.29 1 85 VAL -1.07 -1.03 1 86 PHE -3.55 2.75 1 87 LEU -0.31 -1.64 1 88 ILE 1.08 -1.38 1 90 PHE -1.78 0.29 1 91 SER -3.52 -0.51 1 92 LEU 2.90 -0.67 1 93 VAL -0.01 -3.41 1 94 SER -3.08 -1.45 1 96 ALA 4.48 -1.69 1 97 SER 2.91 -0.32 1 98 PHE 2.21 -0.82 1 99 GLU 4.08 -2.01 1 100 ASN 2.45 -1.37 1 101 VAL 8.82 -2.79 1 102 ARG 2.88 -1.07 1 103 ALA 1.48 -0.14 1 104 LYS -0.74 1.42 1 105 TRP 1.62 1.11 1 106 TYR 8.30 -2.67 1 108 GLU 4.19 -0.46 1 109 VAL 7.23 -3.08 1 110 ARG 3.87 -3.05 1 111 HIS 3.24 0.30 1 118 ILE -5.20 3.75 1 119 ILE -0.92 -1.09 1 120 LEU -2.88 1.16 1 121 VAL -3.18 1.02 1 123 THR -1.83 -0.02 1 124 LYS 5.58 -5.01 1 125 LEU 3.00 -0.37 1 126 ASP 2.22 -1.12 1 127 LEU 0.79 -0.94 1 128 ARG 5.49 -1.57 1 129 ASP -1.29 -0.30 1 130 ASP -2.18 1.88 1 131 LYS 5.58 -1.75 1 132 ASP 4.43 -0.92 1 134 ILE 6.11 -1.96 1 135 GLU 4.14 -1.51 1 136 LYS 4.66 -1.95 1 137 LEU 4.70 -1.85 1 138 LYS 5.09 -1.81 1 139 GLU 3.20 -0.90 1 140 LYS -0.20 -1.29 1 141 LYS 5.98 -5.35 1 142 LEU -5.17 2.86 1 143 THR -1.53 0.26 1 145 ILE 1.80 -3.35 1 146 THR -2.51 0.89 1 147 TYR 9.87 -3.23 1 149 GLN 3.85 -0.99 1 151 LEU 3.02 -1.07 1 152 ALA 4.29 -2.28 1 153 MET 3.20 -2.13 1 154 ALA 3.42 -1.37 1 155 LYS 4.31 -2.01 1 156 GLU 3.78 -1.31 1 157 ILE 1.57 -2.39 1 159 ALA -0.22 -0.79 1 160 VAL 3.21 -1.31 1 161 LYS -5.70 3.59 1 162 TYR -4.01 1.20 1 163 LEU -5.90 3.26 1 164 GLU -5.79 2.25 1 166 SER -3.55 0.94 1 167 ALA 2.11 -0.46 1 168 LEU 2.22 0.12 1 169 THR -0.50 -0.36 1 170 GLN 7.36 -4.28 1 171 ARG 3.48 -1.99 1 173 LEU 3.25 0.07 1 174 LYS 5.82 -2.01 1 175 THR 5.37 -1.22 1 176 VAL 6.43 -2.48 1 177 PHE 5.34 -1.38 1 178 ASP 4.61 -1.06 1 179 GLU 3.68 -2.55 1 180 ALA 5.45 -2.81 1 181 ILE 5.71 -1.66 1 182 ARG 5.83 -1.74 1 183 ALA 3.34 -2.11 1 184 VAL 1.94 -0.63 1 185 LEU 1.76 -0.77 1 190 VAL 0.66 -0.81 1 191 LYS 0.67 -1.00 1 192 LYS 1.49 -0.40 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27577_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -5.90 _LACS_plot.Line_1_terminator_val_y_1 -2.98 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.45 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.18 _LACS_plot.Line_2_terminator_val_x_2 8.82 _LACS_plot.Line_2_terminator_val_y_2 2.85 _LACS_plot.Y_axis_chem_shift_offset 0.43 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 91 SER -3.52 2.52 0 164 GLU -5.79 0.91 0 101 VAL 8.82 -0.95 0 10 GLN 0.09 -1.89 1 11 ALA -1.89 -0.79 1 12 ILE -3.69 -2.39 1 13 LYS 0.37 -2.09 1 15 VAL -1.35 -2.30 1 16 VAL -0.54 -1.62 1 17 VAL -5.54 -2.74 1 19 ASP 1.84 1.49 1 22 VAL 3.16 -2.19 1 24 LYS 8.22 0.32 1 27 LEU 5.14 0.02 1 28 LEU 4.10 2.87 1 29 ILE 5.38 3.10 1 30 SER 3.61 2.72 1 31 TYR 2.64 1.14 1 32 THR 2.56 2.08 1 33 THR -1.30 0.64 1 34 ASN 3.24 -2.06 1 35 ALA -2.64 -3.38 1 39 GLU 0.57 -0.63 1 40 TYR 0.33 -2.06 1 49 SER -2.44 -2.17 1 50 ALA -4.02 -2.68 1 51 ASN -0.37 -0.48 1 52 VAL -4.30 -2.21 1 53 MET -1.43 -0.16 1 54 VAL -1.58 -1.21 1 55 ASP 3.24 -0.11 1 59 VAL -4.11 -2.14 1 60 ASN -1.02 -1.92 1 61 LEU -2.20 -3.46 1 63 LEU -2.95 -1.61 1 70 GLU 3.11 1.81 1 71 ASP 3.36 0.71 1 72 TYR 2.50 0.23 1 78 LEU 4.65 1.34 1 79 SER 1.64 -0.25 1 84 ASP -0.24 -1.52 1 85 VAL -1.07 -4.93 1 86 PHE -3.55 0.07 1 87 LEU -0.31 -1.17 1 88 ILE 1.08 -1.57 1 90 PHE -1.78 -4.73 1 92 LEU 2.90 -0.91 1 93 VAL -0.01 -2.34 1 96 ALA 4.48 2.34 1 97 SER 2.91 1.72 1 98 PHE 2.21 1.73 1 99 GLU 4.08 3.63 1 100 ASN 2.45 3.42 1 103 ALA 1.48 -0.33 1 104 LYS -0.74 0.72 1 105 TRP 1.62 0.50 1 108 GLU 4.19 2.02 1 109 VAL 7.23 1.93 1 110 ARG 3.87 1.36 1 111 HIS 3.24 2.33 1 112 HIS -0.23 2.78 1 118 ILE -5.20 -1.31 1 119 ILE -0.92 -2.22 1 120 LEU -2.88 -4.19 1 121 VAL -3.18 -1.83 1 123 THR -1.83 0.71 1 125 LEU 3.00 0.16 1 127 LEU 0.79 0.55 1 128 ARG 5.49 -1.82 1 129 ASP -1.29 -0.77 1 130 ASP -2.18 -1.13 1 131 LYS 5.58 1.57 1 132 ASP 4.43 2.32 1 134 ILE 6.11 3.02 1 135 GLU 4.14 2.71 1 136 LYS 4.66 4.04 1 137 LEU 4.70 2.18 1 138 LYS 5.09 4.32 1 139 GLU 3.20 1.06 1 140 LYS -0.20 -1.78 1 141 LYS 5.98 -1.26 1 142 LEU -5.17 -1.33 1 145 ILE 1.80 -0.50 1 146 THR -2.51 -0.26 1 149 GLN 3.85 3.49 1 151 LEU 3.02 1.90 1 152 ALA 4.29 3.14 1 153 MET 3.20 1.11 1 154 ALA 3.42 1.19 1 155 LYS 4.31 3.07 1 156 GLU 3.78 1.90 1 157 ILE 1.57 -2.02 1 159 ALA -0.22 0.05 1 160 VAL 3.21 0.15 1 161 LYS -5.70 -3.45 1 162 TYR -4.01 -2.45 1 163 LEU -5.90 -4.25 1 166 SER -3.55 1.34 1 167 ALA 2.11 -0.57 1 168 LEU 2.22 0.22 1 169 THR -0.50 1.33 1 170 GLN 7.36 -0.46 1 173 LEU 3.25 -0.36 1 174 LYS 5.82 2.57 1 175 THR 5.37 0.09 1 176 VAL 6.43 -0.42 1 177 PHE 5.34 1.64 1 179 GLU 3.68 2.98 1 180 ALA 5.45 -0.12 1 181 ILE 5.71 2.89 1 182 ARG 5.83 1.47 1 183 ALA 3.34 -0.21 1 184 VAL 1.94 1.09 1 185 LEU 1.76 0.25 1 190 VAL 0.66 -0.36 1 stop_ save_