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 bmr17740_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.42 _LACS_plot.Line_1_terminator_val_y_1 -4.10 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.30 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.95 _LACS_plot.Line_2_terminator_val_x_2 6.93 _LACS_plot.Line_2_terminator_val_y_2 3.94 _LACS_plot.Y_axis_chem_shift_offset 0.63 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 154 HIS 3.02 4.74 0 10 ILE 1.51 -0.77 1 11 ILE -0.64 -2.69 1 12 VAL -6.37 -5.07 1 13 VAL -5.45 -4.91 1 14 ALA -2.18 -0.90 1 15 LEU 0.90 -0.25 1 16 TYR -7.42 -4.49 1 17 ASP -0.40 -0.40 1 18 TYR -2.12 -0.27 1 19 GLU -2.63 -3.42 1 20 ALA -0.26 -0.07 1 21 ILE 0.41 -0.05 1 25 ASP -1.15 -0.52 1 26 LEU -2.47 -1.78 1 27 SER -0.72 -0.61 1 28 PHE -1.73 -1.95 1 29 GLN -4.89 -2.75 1 30 LYS 3.45 1.73 1 32 ASP 1.73 0.87 1 33 GLN -2.09 -1.57 1 34 MET -6.35 -1.58 1 35 VAL -2.69 -2.85 1 36 VAL 2.91 1.01 1 37 LEU 0.96 -0.25 1 38 GLU -3.16 -0.87 1 39 GLU -1.28 -2.95 1 40 SER -0.49 -1.84 1 42 GLU 0.83 0.14 1 43 TRP -2.04 -2.37 1 44 TRP -5.66 -4.85 1 45 LYS -0.36 -0.67 1 46 ALA -6.70 -2.17 1 47 ARG -5.28 -3.23 1 48 SER 0.60 -0.71 1 49 LEU 4.19 1.52 1 50 ALA 2.10 1.53 1 51 THR -2.22 -1.29 1 52 ARG 6.78 1.72 1 53 LYS 0.56 -0.18 1 54 GLU -5.78 -3.27 1 56 TYR 0.21 0.57 1 57 ILE -5.28 -4.62 1 60 ASN 3.35 0.01 1 61 TYR 0.17 -0.42 1 62 VAL -6.31 -4.47 1 63 ALA -6.14 -2.91 1 64 ARG 2.17 0.48 1 65 VAL 2.79 0.95 1 66 ASP 1.42 -0.28 1 67 SER -0.85 -0.64 1 68 LEU 3.59 1.13 1 69 GLU 2.44 1.10 1 70 THR 0.85 -0.49 1 71 GLU 1.42 -1.98 1 72 GLU 2.16 1.10 1 73 TRP -5.97 -4.84 1 74 PHE 0.13 -0.50 1 75 PHE -1.94 -2.19 1 76 LYS -0.21 -0.84 1 78 ILE -1.93 -2.19 1 79 SER -2.89 -1.79 1 80 ARG 5.96 3.68 1 81 LYS 4.30 2.20 1 82 ASP 4.30 2.55 1 83 ALA 3.29 2.06 1 84 GLU 4.77 2.46 1 85 ARG 4.74 2.78 1 86 GLN 4.87 2.89 1 87 LEU 1.69 1.57 1 88 LEU 2.39 -0.30 1 89 ALA 1.08 -1.82 1 92 ASN -1.87 -0.44 1 93 MET -3.73 -1.62 1 94 LEU 3.43 1.41 1 96 SER 3.56 2.41 1 97 PHE -5.72 -2.18 1 98 MET -5.30 -1.02 1 99 ILE 0.32 -1.37 1 100 ARG -5.58 -3.75 1 101 ASP -0.36 -0.59 1 102 SER -0.11 -1.09 1 103 GLU -5.67 -3.22 1 108 SER -1.90 -2.01 1 109 TYR -3.70 -0.77 1 110 SER -2.31 -1.01 1 111 LEU -3.66 -2.37 1 112 SER -0.94 -0.50 1 113 VAL -5.38 -2.62 1 114 ARG 1.44 0.40 1 115 ASP -6.98 -2.82 1 116 TYR -1.89 0.23 1 117 ASP -6.94 -4.28 1 119 ARG 2.12 0.70 1 120 GLN -0.79 -0.16 1 122 ASP 1.10 0.91 1 123 THR -3.74 -2.53 1 124 VAL -3.28 -2.14 1 125 LYS -4.58 -3.38 1 126 HIS -5.27 -1.53 1 127 TYR -3.30 -1.88 1 128 LYS 1.48 -0.07 1 129 ILE 1.68 -0.77 1 130 ARG -1.38 -1.98 1 131 THR -3.55 -2.89 1 132 LEU -1.78 -2.07 1 137 PHE -4.78 -1.24 1 138 TYR -1.13 -0.28 1 139 ILE 1.80 1.70 1 140 SER -5.19 -4.65 1 142 ARG 2.34 0.71 1 143 SER -2.04 -2.10 1 144 THR -3.01 -2.94 1 145 PHE -5.25 -1.60 1 146 SER 3.46 2.43 1 147 THR -6.13 -3.31 1 148 LEU 3.21 1.11 1 149 GLN 6.94 3.77 1 150 GLU 1.57 1.75 1 151 LEU 5.28 3.14 1 152 VAL 6.77 4.00 1 153 ASP 3.94 2.73 1 155 TYR 5.06 2.52 1 156 LYS 1.78 1.04 1 157 LYS 2.62 0.83 1 160 ASP 0.97 -0.18 1 162 LEU -0.07 -1.55 1 164 GLN -5.51 -3.04 1 165 LYS 1.09 -0.57 1 166 LEU 3.27 -0.86 1 167 SER -2.03 -2.31 1 168 VAL -5.07 -4.96 1 171 MET 1.78 0.75 1 172 SER -0.75 -0.89 1 174 LYS -0.34 -2.44 1 176 GLN 0.30 -0.52 1 177 LYS -0.45 -3.09 1 179 TRP 0.94 -0.75 1 180 GLU -0.22 -0.74 1 181 LYS 1.23 -0.05 1 182 ASP 0.88 0.00 1 183 ALA 1.55 0.12 1 184 TRP 1.26 -0.05 1 185 GLU 0.87 -0.09 1 186 LEU 1.26 -0.16 1 187 GLU 0.61 -0.18 1 188 HIS 0.19 1.02 1 193 HIS 0.64 1.94 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17740_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.42 _LACS_plot.Line_1_terminator_val_y_1 3.32 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.70 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.05 _LACS_plot.Line_2_terminator_val_x_2 6.93 _LACS_plot.Line_2_terminator_val_y_2 -2.99 _LACS_plot.Y_axis_chem_shift_offset 0.63 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 154 HIS 3.02 1.72 0 10 ILE 1.51 -2.28 1 11 ILE -0.64 -2.05 1 12 VAL -6.37 1.30 1 13 VAL -5.45 0.54 1 14 ALA -2.18 1.28 1 15 LEU 0.90 -1.15 1 16 TYR -7.42 2.93 1 17 ASP -0.40 0.00 1 18 TYR -2.12 1.85 1 19 GLU -2.63 -0.79 1 20 ALA -0.26 0.19 1 21 ILE 0.41 -0.46 1 25 ASP -1.15 0.63 1 26 LEU -2.47 0.69 1 27 SER -0.72 0.11 1 28 PHE -1.73 -0.22 1 29 GLN -4.89 2.14 1 30 LYS 3.45 -1.72 1 32 ASP 1.73 -0.86 1 33 GLN -2.09 0.52 1 34 MET -6.35 4.77 1 35 VAL -2.69 -0.16 1 36 VAL 2.91 -1.90 1 37 LEU 0.96 -1.21 1 38 GLU -3.16 2.29 1 39 GLU -1.28 -1.67 1 40 SER -0.49 -1.35 1 42 GLU 0.83 -0.69 1 43 TRP -2.04 -0.33 1 44 TRP -5.66 0.81 1 45 LYS -0.36 -0.31 1 46 ALA -6.70 4.53 1 47 ARG -5.28 2.05 1 48 SER 0.60 -1.31 1 49 LEU 4.19 -2.67 1 50 ALA 2.10 -0.57 1 51 THR -2.22 0.93 1 52 ARG 6.78 -5.06 1 53 LYS 0.56 -0.74 1 54 GLU -5.78 2.51 1 56 TYR 0.21 0.36 1 57 ILE -5.28 0.66 1 60 ASN 3.35 -3.34 1 61 TYR 0.17 -0.59 1 62 VAL -6.31 1.84 1 63 ALA -6.14 3.23 1 64 ARG 2.17 -1.69 1 65 VAL 2.79 -1.84 1 66 ASP 1.42 -1.70 1 67 SER -0.85 0.21 1 68 LEU 3.59 -2.46 1 69 GLU 2.44 -1.34 1 70 THR 0.85 -1.34 1 71 GLU 1.42 -3.40 1 72 GLU 2.16 -1.06 1 73 TRP -5.97 1.13 1 74 PHE 0.13 -0.63 1 75 PHE -1.94 -0.25 1 76 LYS -0.21 -0.63 1 78 ILE -1.93 -0.26 1 79 SER -2.89 1.10 1 80 ARG 5.96 -2.28 1 81 LYS 4.30 -2.10 1 82 ASP 4.30 -1.75 1 83 ALA 3.29 -1.23 1 84 GLU 4.77 -2.31 1 85 ARG 4.74 -1.96 1 86 GLN 4.87 -1.98 1 87 LEU 1.69 -0.12 1 88 LEU 2.39 -2.69 1 89 ALA 1.08 -2.90 1 92 ASN -1.87 1.43 1 93 MET -3.73 2.11 1 94 LEU 3.43 -2.02 1 96 SER 3.56 -1.15 1 97 PHE -5.72 3.54 1 98 MET -5.30 4.28 1 99 ILE 0.32 -1.69 1 100 ARG -5.58 1.83 1 101 ASP -0.36 -0.23 1 102 SER -0.11 -0.98 1 103 GLU -5.67 2.45 1 108 SER -1.90 -0.11 1 109 TYR -3.70 2.93 1 110 SER -2.31 1.30 1 111 LEU -3.66 1.29 1 112 SER -0.94 0.44 1 113 VAL -5.38 2.76 1 114 ARG 1.44 -1.04 1 115 ASP -6.98 4.16 1 116 TYR -1.89 2.12 1 117 ASP -6.94 2.66 1 119 ARG 2.12 -1.42 1 120 GLN -0.79 0.63 1 122 ASP 1.10 -0.19 1 123 THR -3.74 1.21 1 124 VAL -3.28 1.14 1 125 LYS -4.58 1.20 1 126 HIS -5.27 3.74 1 127 TYR -3.30 1.42 1 128 LYS 1.48 -1.55 1 129 ILE 1.68 -2.45 1 130 ARG -1.38 -0.60 1 131 THR -3.55 0.66 1 132 LEU -1.78 -0.29 1 137 PHE -4.78 3.54 1 138 TYR -1.13 0.85 1 139 ILE 1.80 -0.10 1 140 SER -5.19 0.54 1 142 ARG 2.34 -1.63 1 143 SER -2.04 -0.06 1 144 THR -3.01 0.07 1 145 PHE -5.25 3.65 1 146 SER 3.46 -1.03 1 147 THR -6.13 2.82 1 148 LEU 3.21 -2.10 1 149 GLN 6.94 -3.17 1 150 GLU 1.57 0.18 1 151 LEU 5.28 -2.14 1 152 VAL 6.77 -2.77 1 153 ASP 3.94 -1.21 1 155 TYR 5.06 -2.54 1 156 LYS 1.78 -0.74 1 157 LYS 2.62 -1.79 1 160 ASP 0.97 -1.15 1 162 LEU -0.07 -1.48 1 164 GLN -5.51 2.47 1 165 LYS 1.09 -1.66 1 166 LEU 3.27 -4.13 1 167 SER -2.03 -0.28 1 168 VAL -5.07 0.11 1 171 MET 1.78 -1.03 1 172 SER -0.75 -0.14 1 174 LYS -0.34 -2.10 1 176 GLN 0.30 -0.82 1 177 LYS -0.45 -2.64 1 179 TRP 0.94 -1.69 1 180 GLU -0.22 -0.52 1 181 LYS 1.23 -1.28 1 182 ASP 0.88 -0.88 1 183 ALA 1.55 -1.43 1 184 TRP 1.26 -1.31 1 185 GLU 0.87 -0.96 1 186 LEU 1.26 -1.42 1 187 GLU 0.61 -0.79 1 188 HIS 0.19 0.83 1 193 HIS 0.64 1.30 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17740_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.42 _LACS_plot.Line_1_terminator_val_y_1 -2.45 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.19 _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 6.93 _LACS_plot.Line_2_terminator_val_y_2 1.31 _LACS_plot.Y_axis_chem_shift_offset 0.39 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 193 HIS 0.64 5.69 0 10 ILE 1.51 -2.34 1 11 ILE -0.64 0.23 1 12 VAL -6.37 -2.90 1 13 VAL -5.45 -1.81 1 14 ALA -2.18 1.29 1 15 LEU 0.90 -2.72 1 16 TYR -7.42 -2.29 1 17 ASP -0.40 -0.63 1 18 TYR -2.12 -2.62 1 19 GLU -2.63 -3.01 1 20 ALA -0.26 0.08 1 21 ILE 0.41 0.13 1 25 ASP -1.15 -0.45 1 26 LEU -2.47 -2.38 1 27 SER -0.72 -0.27 1 28 PHE -1.73 -2.19 1 29 GLN -4.89 -0.82 1 30 LYS 3.45 0.52 1 32 ASP 1.73 -0.56 1 33 GLN -2.09 0.78 1 34 MET -6.35 -3.01 1 35 VAL -2.69 -0.40 1 36 VAL 2.91 -1.30 1 37 LEU 0.96 -0.16 1 38 GLU -3.16 -2.34 1 39 GLU -1.28 -1.22 1 40 SER -0.49 0.06 1 43 TRP -2.04 -0.77 1 44 TRP -5.66 -0.26 1 45 LYS -0.36 -1.32 1 46 ALA -6.70 -4.06 1 47 ARG -5.28 -0.06 1 48 SER 0.60 2.72 1 49 LEU 4.19 0.09 1 50 ALA 2.10 1.84 1 52 ARG 6.78 -1.55 1 53 LYS 0.56 -1.77 1 54 GLU -5.78 0.09 1 56 TYR 0.21 0.61 1 57 ILE -5.28 -4.14 1 60 ASN 3.35 0.24 1 61 TYR 0.17 -0.97 1 62 VAL -6.31 -2.83 1 63 ALA -6.14 -1.34 1 64 ARG 2.17 1.12 1 65 VAL 2.79 -0.85 1 66 ASP 1.42 -0.55 1 69 GLU 2.44 0.31 1 70 THR 0.85 0.44 1 71 GLU 1.42 2.17 1 72 GLU 2.16 -0.55 1 73 TRP -5.97 -1.28 1 74 PHE 0.13 -1.31 1 75 PHE -1.94 -2.19 1 76 LYS -0.21 1.42 1 78 ILE -1.93 -1.48 1 79 SER -2.89 -0.32 1 80 ARG 5.96 1.50 1 81 LYS 4.30 2.86 1 82 ASP 4.30 1.75 1 83 ALA 3.29 1.59 1 84 GLU 4.77 0.54 1 85 ARG 4.74 3.23 1 86 GLN 4.87 3.02 1 87 LEU 1.69 0.93 1 88 LEU 2.39 -1.58 1 89 ALA 1.08 -2.44 1 92 ASN -1.87 -2.52 1 93 MET -3.73 -1.22 1 94 LEU 3.43 2.03 1 96 SER 3.56 0.58 1 97 PHE -5.72 -2.09 1 98 MET -5.30 -2.24 1 99 ILE 0.32 -3.42 1 100 ARG -5.58 -0.88 1 101 ASP -0.36 -0.38 1 102 SER -0.11 0.96 1 103 GLU -5.67 -2.14 1 108 SER -1.90 -1.20 1 109 TYR -3.70 -0.72 1 110 SER -2.31 -2.94 1 111 LEU -3.66 -2.38 1 112 SER -0.94 -1.95 1 113 VAL -5.38 -2.18 1 114 ARG 1.44 -3.12 1 115 ASP -6.98 -0.89 1 116 TYR -1.89 -2.85 1 117 ASP -6.94 -2.78 1 119 ARG 2.12 1.07 1 120 GLN -0.79 -0.08 1 122 ASP 1.10 -0.79 1 123 THR -3.74 -2.69 1 124 VAL -3.28 -2.01 1 126 HIS -5.27 1.09 1 129 ILE 1.68 -0.59 1 130 ARG -1.38 -1.38 1 131 THR -3.55 1.18 1 132 LEU -1.78 1.27 1 137 PHE -4.78 0.29 1 138 TYR -1.13 -3.62 1 139 ILE 1.80 0.51 1 142 ARG 2.34 0.06 1 143 SER -2.04 -3.72 1 144 THR -3.01 -1.50 1 145 PHE -5.25 0.37 1 146 SER 3.46 -0.29 1 147 THR -6.13 -0.04 1 148 LEU 3.21 0.87 1 149 GLN 6.94 0.27 1 150 GLU 1.57 1.59 1 151 LEU 5.28 -0.36 1 152 VAL 6.77 0.65 1 153 ASP 3.94 2.40 1 154 HIS 3.02 4.65 1 155 TYR 5.06 1.01 1 156 LYS 1.78 1.71 1 157 LYS 2.62 1.00 1 162 LEU -0.07 0.27 1 164 GLN -5.51 -2.07 1 165 LYS 1.09 -0.29 1 166 LEU 3.27 -0.93 1 167 SER -2.03 0.04 1 168 VAL -5.07 -3.75 1 171 MET 1.78 0.29 1 174 LYS -0.34 -2.31 1 176 GLN 0.30 -0.20 1 177 LYS -0.45 -1.98 1 179 TRP 0.94 0.16 1 180 GLU -0.22 -0.49 1 181 LYS 1.23 -0.24 1 182 ASP 0.88 0.08 1 183 ALA 1.55 0.23 1 184 TRP 1.26 0.69 1 185 GLU 0.87 0.03 1 186 LEU 1.26 0.00 1 187 GLU 0.61 -0.27 1 188 HIS 0.19 1.13 1 stop_ save_