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 bmr10096_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.74 _LACS_plot.Line_1_terminator_val_y_1 -3.02 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.36 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.48 _LACS_plot.Line_2_terminator_val_x_2 7.31 _LACS_plot.Line_2_terminator_val_y_2 4.46 _LACS_plot.Y_axis_chem_shift_offset 0.27 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 164 MET 0.66 -2.98 0 22 HIS 4.35 5.42 0 15 ASP -0.55 -0.76 1 16 SER -1.61 -1.67 1 18 GLN 6.19 3.70 1 19 TRP -1.53 0.00 1 20 ARG 6.01 3.82 1 21 GLN 3.98 2.27 1 23 GLN 2.47 3.24 1 24 GLN 4.29 2.62 1 25 ASP 4.08 2.63 1 27 ARG 4.05 2.64 1 28 ASN 0.66 0.00 1 29 LEU 1.12 -0.24 1 30 ASN -1.46 1.67 1 31 GLN -3.66 -1.11 1 32 TYR -5.13 -2.48 1 33 GLN -4.04 -1.11 1 34 THR -1.60 -2.40 1 35 ARG -4.69 -3.14 1 37 ALA -3.17 -1.06 1 38 PHE -4.76 -1.84 1 39 ALA -4.66 -2.06 1 40 TYR -4.47 -1.63 1 41 ILE -2.78 -1.19 1 42 SER -4.90 -2.20 1 43 ASP 3.84 2.48 1 44 GLN 0.25 0.66 1 45 GLN -1.87 -0.34 1 46 LYS -1.71 -0.96 1 47 VAL -3.07 -0.79 1 48 TYR -2.35 -1.64 1 49 ALA -4.58 -1.35 1 50 ARG 0.16 -1.49 1 51 PHE -7.74 -3.33 1 52 PHE -3.47 -1.43 1 53 TRP -3.75 -1.73 1 54 GLN -4.11 -1.80 1 55 GLN -3.11 -0.66 1 56 THR -0.93 -0.44 1 58 GLN 0.50 0.36 1 59 ASP -1.05 0.13 1 60 ARG -2.18 -1.44 1 61 TYR -2.80 -2.07 1 62 ARG -4.91 -2.36 1 63 LEU -4.58 -2.49 1 64 LEU -4.52 -1.53 1 65 LEU -2.92 -2.02 1 66 THR -3.36 -1.88 1 67 ASN 1.39 0.35 1 69 LEU 1.64 -0.32 1 71 SER -0.74 -1.01 1 74 LEU -2.58 -0.42 1 75 GLU -3.65 -1.70 1 76 LEU -4.26 -1.53 1 77 ASN -2.67 -0.46 1 78 ALA -2.48 -1.19 1 79 GLN -1.28 -0.76 1 82 ASN -0.21 1.34 1 83 VAL -1.21 -1.82 1 84 GLN -4.54 -2.01 1 85 LEU -4.36 -1.22 1 86 VAL -2.09 -1.64 1 87 ASP -3.26 -2.09 1 88 ASN 3.43 1.49 1 89 LYS -0.17 -1.36 1 91 GLN 0.99 -0.30 1 92 ARG -2.29 -1.41 1 93 TYR -4.26 -1.55 1 94 THR -2.43 -1.17 1 95 ALA -1.79 -0.77 1 96 ASP 0.30 0.40 1 97 ASP -3.35 -1.26 1 98 ALA 2.20 2.72 1 99 GLU 4.33 3.11 1 100 GLU 2.96 1.88 1 101 MET 2.78 2.76 1 104 LYS 3.39 2.37 1 105 LEU 2.15 1.27 1 106 THR -2.54 -0.45 1 108 MET -3.06 -1.20 1 110 ILE 0.14 -0.03 1 112 LEU 3.05 2.92 1 113 ASN 4.65 2.54 1 114 SER 4.83 1.91 1 115 LEU 2.89 2.14 1 116 ARG 4.76 1.62 1 117 GLN 3.33 1.75 1 118 TRP 0.38 -0.48 1 120 LEU -0.84 -2.63 1 122 LEU -2.74 -2.92 1 125 ASP 0.47 -0.31 1 126 ALA -0.05 0.66 1 127 THR -0.22 -0.16 1 128 ASP -0.49 -1.26 1 129 TYR -4.13 -2.87 1 130 LYS -5.20 -2.15 1 131 LEU -3.87 -2.85 1 132 ASP -1.96 -2.49 1 133 ASP 2.73 1.46 1 134 GLN 0.57 -1.36 1 135 TYR 7.31 2.27 1 136 ARG -2.59 -2.92 1 137 LEU 1.97 1.32 1 138 SER -0.68 0.36 1 139 GLU -5.87 -1.73 1 140 ILE -3.89 -0.48 1 141 THR -0.20 0.01 1 142 TYR -3.78 -0.71 1 143 SER -1.71 -1.74 1 144 GLN -1.80 -0.50 1 147 LYS -1.88 -1.89 1 148 ASN -1.43 -0.79 1 149 TRP -2.44 -0.46 1 150 LYS -2.22 -1.88 1 151 VAL -2.24 -2.20 1 152 VAL -3.30 -1.67 1 153 TYR -0.11 -0.49 1 156 TYR -2.17 0.27 1 157 ASP -0.88 -0.98 1 158 THR 1.28 -0.50 1 159 LYS 3.52 1.57 1 160 THR -1.74 -1.08 1 161 GLN -2.86 -1.76 1 163 ALA 0.27 -0.06 1 166 ALA -1.26 -0.56 1 167 ASN -2.10 -0.05 1 168 MET -5.22 -0.48 1 169 GLU -4.45 -1.77 1 170 LEU -2.10 -0.75 1 171 THR -3.63 -1.95 1 172 ASP -0.39 -1.56 1 175 GLN -2.66 -1.63 1 176 ARG -4.00 -1.63 1 177 ILE -2.99 -1.70 1 178 LYS -2.90 -1.56 1 179 LEU -2.85 -1.08 1 180 LYS -2.09 -0.63 1 181 MET 2.53 1.87 1 182 ASP 1.13 1.44 1 183 ASN -2.09 -0.07 1 184 TRP -3.71 0.00 1 185 ILE -0.78 0.30 1 186 VAL -5.37 -3.91 1 187 LYS 0.14 1.55 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr10096_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.74 _LACS_plot.Line_1_terminator_val_y_1 4.72 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.64 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.52 _LACS_plot.Line_2_terminator_val_x_2 7.31 _LACS_plot.Line_2_terminator_val_y_2 -2.85 _LACS_plot.Y_axis_chem_shift_offset 0.27 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 164 MET 0.66 -3.64 0 22 HIS 4.35 1.07 0 15 ASP -0.55 -0.21 1 16 SER -1.61 -0.06 1 18 GLN 6.19 -2.49 1 19 TRP -1.53 1.53 1 20 ARG 6.01 -2.19 1 21 GLN 3.98 -1.71 1 23 GLN 2.47 0.77 1 24 GLN 4.29 -1.67 1 25 ASP 4.08 -1.45 1 27 ARG 4.05 -1.41 1 28 ASN 0.66 -0.66 1 29 LEU 1.12 -1.36 1 30 ASN -1.46 3.13 1 31 GLN -3.66 2.55 1 32 TYR -5.13 2.65 1 33 GLN -4.04 2.93 1 34 THR -1.60 -0.80 1 35 ARG -4.69 1.55 1 37 ALA -3.17 2.11 1 38 PHE -4.76 2.92 1 39 ALA -4.66 2.60 1 40 TYR -4.47 2.84 1 41 ILE -2.78 1.59 1 42 SER -4.90 2.70 1 43 ASP 3.84 -1.36 1 44 GLN 0.25 0.41 1 45 GLN -1.87 1.53 1 46 LYS -1.71 0.75 1 47 VAL -3.07 2.28 1 48 TYR -2.35 0.71 1 49 ALA -4.58 3.23 1 50 ARG 0.16 -1.65 1 51 PHE -7.74 4.41 1 52 PHE -3.47 2.04 1 53 TRP -3.75 2.02 1 54 GLN -4.11 2.31 1 55 GLN -3.11 2.45 1 56 THR -0.93 0.49 1 58 GLN 0.50 -0.14 1 59 ASP -1.05 1.18 1 60 ARG -2.18 0.74 1 61 TYR -2.80 0.73 1 62 ARG -4.91 2.55 1 63 LEU -4.58 2.09 1 64 LEU -4.52 2.99 1 65 LEU -2.92 0.90 1 66 THR -3.36 1.48 1 67 ASN 1.39 -1.04 1 69 LEU 1.64 -1.96 1 71 SER -0.74 -0.27 1 74 LEU -2.58 2.16 1 75 GLU -3.65 1.95 1 76 LEU -4.26 2.73 1 77 ASN -2.67 2.21 1 78 ALA -2.48 1.29 1 79 GLN -1.28 0.52 1 82 ASN -0.21 1.55 1 83 VAL -1.21 -0.61 1 84 GLN -4.54 2.53 1 85 LEU -4.36 3.14 1 86 VAL -2.09 0.45 1 87 ASP -3.26 1.17 1 88 ASN 3.43 -1.94 1 89 LYS -0.17 -1.19 1 91 GLN 0.99 -1.29 1 92 ARG -2.29 0.88 1 93 TYR -4.26 2.71 1 94 THR -2.43 1.26 1 95 ALA -1.79 1.02 1 96 ASP 0.30 0.10 1 97 ASP -3.35 2.09 1 98 ALA 2.20 0.52 1 99 GLU 4.33 -1.22 1 100 GLU 2.96 -1.08 1 101 MET 2.78 -0.02 1 104 LYS 3.39 -1.02 1 105 LEU 2.15 -0.88 1 106 THR -2.54 2.09 1 108 MET -3.06 1.86 1 110 ILE 0.14 -0.17 1 112 LEU 3.05 -0.13 1 113 ASN 4.65 -2.11 1 114 SER 4.83 -2.92 1 115 LEU 2.89 -0.75 1 116 ARG 4.76 -3.14 1 117 GLN 3.33 -1.58 1 118 TRP 0.38 -0.86 1 120 LEU -0.84 -1.79 1 122 LEU -2.74 -0.18 1 125 ASP 0.47 -0.78 1 126 ALA -0.05 0.71 1 127 THR -0.22 0.06 1 128 ASP -0.49 -0.77 1 129 TYR -4.13 1.26 1 130 LYS -5.20 3.05 1 131 LEU -3.87 1.02 1 132 ASP -1.96 -0.53 1 133 ASP 2.73 -1.27 1 134 GLN 0.57 -1.93 1 135 TYR 7.31 -5.04 1 136 ARG -2.59 -0.33 1 137 LEU 1.97 -0.65 1 138 SER -0.68 1.04 1 139 GLU -5.87 4.14 1 140 ILE -3.89 3.41 1 141 THR -0.20 0.21 1 142 TYR -3.78 3.07 1 143 SER -1.71 -0.03 1 144 GLN -1.80 1.30 1 147 LYS -1.88 -0.01 1 148 ASN -1.43 0.64 1 149 TRP -2.44 1.98 1 150 LYS -2.22 0.34 1 151 VAL -2.24 0.04 1 152 VAL -3.30 1.63 1 153 TYR -0.11 -0.38 1 156 TYR -2.17 2.44 1 157 ASP -0.88 -0.10 1 158 THR 1.28 -1.78 1 159 LYS 3.52 -1.95 1 160 THR -1.74 0.66 1 161 GLN -2.86 1.10 1 163 ALA 0.27 -0.33 1 166 ALA -1.26 0.70 1 167 ASN -2.10 2.05 1 168 MET -5.22 4.74 1 169 GLU -4.45 2.68 1 170 LEU -2.10 1.35 1 171 THR -3.63 1.68 1 172 ASP -0.39 -1.17 1 175 GLN -2.66 1.03 1 176 ARG -4.00 2.37 1 177 ILE -2.99 1.29 1 178 LYS -2.90 1.34 1 179 LEU -2.85 1.77 1 180 LYS -2.09 1.46 1 181 MET 2.53 -0.66 1 182 ASP 1.13 0.31 1 183 ASN -2.09 2.02 1 184 TRP -3.71 3.71 1 185 ILE -0.78 1.08 1 186 VAL -5.37 1.46 1 187 LYS 0.14 1.41 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr10096_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.74 _LACS_plot.Line_1_terminator_val_y_1 -3.44 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.39 _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 6.18 _LACS_plot.Line_2_terminator_val_y_2 2.22 _LACS_plot.Y_axis_chem_shift_offset 0.37 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 118 TRP 0.38 5.79 0 15 ASP -0.55 -0.45 1 18 GLN 6.19 3.32 1 19 TRP -1.53 2.33 1 20 ARG 6.01 2.95 1 21 GLN 3.98 0.85 1 22 HIS 4.35 2.75 1 23 GLN 2.47 1.91 1 24 GLN 4.29 1.50 1 25 ASP 4.08 3.19 1 27 ARG 4.05 0.23 1 28 ASN 0.66 1.19 1 29 LEU 1.12 -2.78 1 30 ASN -1.46 -0.38 1 31 GLN -3.66 -2.72 1 32 TYR -5.13 -0.06 1 33 GLN -4.04 -2.04 1 34 THR -1.60 -3.69 1 35 ARG -4.69 -2.20 1 37 ALA -3.17 -2.79 1 38 PHE -4.76 -2.39 1 39 ALA -4.66 -3.73 1 40 TYR -4.47 -2.34 1 41 ILE -2.78 -2.40 1 43 ASP 3.84 0.76 1 44 GLN 0.25 -0.14 1 45 GLN -1.87 -2.81 1 46 LYS -1.71 -1.12 1 47 VAL -3.07 -2.73 1 48 TYR -2.35 -0.62 1 49 ALA -4.58 -0.94 1 50 ARG 0.16 -0.25 1 51 PHE -7.74 -2.96 1 52 PHE -3.47 -2.90 1 53 TRP -3.75 -1.99 1 54 GLN -4.11 -2.25 1 55 GLN -3.11 -1.20 1 56 THR -0.93 -0.16 1 58 GLN 0.50 1.76 1 59 ASP -1.05 -1.30 1 60 ARG -2.18 -1.99 1 61 TYR -2.80 -4.11 1 62 ARG -4.91 -3.21 1 63 LEU -4.58 -3.83 1 64 LEU -4.52 -1.56 1 65 LEU -2.92 -0.75 1 66 THR -3.36 -0.91 1 69 LEU 1.64 0.55 1 74 LEU -2.58 -3.31 1 75 GLU -3.65 -2.81 1 76 LEU -4.26 -3.46 1 77 ASN -2.67 -2.29 1 78 ALA -2.48 -2.99 1 82 ASN -0.21 -3.31 1 83 VAL -1.21 -2.51 1 84 GLN -4.54 -1.65 1 85 LEU -4.36 -2.98 1 86 VAL -2.09 -0.41 1 87 ASP -3.26 1.46 1 88 ASN 3.43 1.50 1 89 LYS -0.17 0.78 1 91 GLN 0.99 -2.38 1 92 ARG -2.29 -0.49 1 93 TYR -4.26 -0.66 1 94 THR -2.43 -1.25 1 95 ALA -1.79 -2.28 1 96 ASP 0.30 -0.63 1 97 ASP -3.35 -0.47 1 98 ALA 2.20 0.97 1 99 GLU 4.33 3.01 1 100 GLU 2.96 2.64 1 101 MET 2.78 1.75 1 104 LYS 3.39 0.80 1 105 LEU 2.15 1.01 1 106 THR -2.54 0.98 1 112 LEU 3.05 -1.11 1 113 ASN 4.65 2.66 1 114 SER 4.83 0.58 1 115 LEU 2.89 -2.34 1 116 ARG 4.76 -1.31 1 117 GLN 3.33 1.17 1 120 LEU -0.84 0.21 1 125 ASP 0.47 -0.28 1 126 ALA -0.05 -0.42 1 127 THR -0.22 -0.17 1 128 ASP -0.49 -3.21 1 129 TYR -4.13 -2.27 1 130 LYS -5.20 -1.40 1 131 LEU -3.87 -0.20 1 132 ASP -1.96 2.46 1 133 ASP 2.73 -0.28 1 134 GLN 0.57 -1.36 1 136 ARG -2.59 -0.46 1 137 LEU 1.97 -0.13 1 138 SER -0.68 0.52 1 139 GLU -5.87 -2.29 1 140 ILE -3.89 -0.93 1 141 THR -0.20 -1.42 1 142 TYR -3.78 -2.62 1 143 SER -1.71 -1.13 1 147 LYS -1.88 -1.80 1 148 ASN -1.43 -1.29 1 149 TRP -2.44 -0.42 1 150 LYS -2.22 -0.90 1 151 VAL -2.24 -1.31 1 152 VAL -3.30 -0.83 1 153 TYR -0.11 0.47 1 156 TYR -2.17 -1.37 1 157 ASP -0.88 0.74 1 158 THR 1.28 1.12 1 159 LYS 3.52 0.98 1 160 THR -1.74 -2.75 1 163 ALA 0.27 -1.61 1 166 ALA -1.26 0.40 1 167 ASN -2.10 -0.93 1 168 MET -5.22 -2.81 1 169 GLU -4.45 -2.26 1 170 LEU -2.10 -1.55 1 171 THR -3.63 -2.44 1 172 ASP -0.39 1.39 1 175 GLN -2.66 -0.86 1 176 ARG -4.00 -2.52 1 177 ILE -2.99 -1.84 1 178 LYS -2.90 -1.82 1 179 LEU -2.85 -2.28 1 180 LYS -2.09 -1.77 1 181 MET 2.53 -0.17 1 182 ASP 1.13 0.10 1 183 ASN -2.09 -2.29 1 184 TRP -3.71 -0.15 1 185 ILE -0.78 -0.08 1 186 VAL -5.37 -1.83 1 stop_ save_