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 bmr26857_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -5.58 _LACS_plot.Line_1_terminator_val_y_1 -2.78 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.46 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.98 _LACS_plot.Line_2_terminator_val_x_2 7.57 _LACS_plot.Line_2_terminator_val_y_2 5.01 _LACS_plot.Y_axis_chem_shift_offset 0.46 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 60 ILE 5.22 -0.14 0 53 ASP 2.36 4.91 0 12 SER 0.28 -0.29 1 13 ALA 0.61 -0.22 1 14 TRP -0.20 -0.81 1 15 SER -0.07 -0.65 1 16 HIS -1.12 -1.89 1 18 GLN -2.80 0.00 1 19 PHE 0.17 -0.61 1 22 SER 0.45 -0.05 1 24 LEU 0.69 -0.26 1 25 VAL 0.39 -0.41 1 27 ARG 0.76 -0.11 1 30 HIS 0.52 0.18 1 32 SER 0.18 -0.24 1 33 GLN -0.04 -0.39 1 34 SER -0.32 -0.81 1 47 VAL 6.53 4.06 1 48 VAL 7.10 5.04 1 49 VAL 6.98 4.88 1 50 LEU 3.69 3.23 1 51 ILE 6.02 4.01 1 52 ILE 5.87 3.63 1 54 LEU 4.70 2.58 1 57 LYS 5.21 4.20 1 58 TYR 4.79 3.84 1 59 LEU 3.39 2.50 1 61 LEU 3.70 1.94 1 62 GLN 0.64 0.61 1 63 ASN -1.97 1.48 1 64 PHE -0.87 -1.07 1 65 ALA -1.89 -2.26 1 66 LEU 3.82 1.73 1 68 ASP 0.89 1.21 1 69 THR -1.93 -0.46 1 70 VAL -3.89 -1.32 1 72 LEU 0.18 0.62 1 73 PHE -0.45 -0.86 1 76 LEU -3.99 -0.91 1 77 ASN -4.27 -2.05 1 78 LEU -2.01 -1.91 1 79 HIS -3.81 -1.59 1 80 TYR -0.61 -3.17 1 81 ALA -5.58 -2.70 1 82 ARG -3.61 -2.02 1 83 ASN -2.46 -1.61 1 84 TYR 3.30 1.72 1 86 ALA 0.63 -0.11 1 87 ALA 0.78 -0.16 1 88 PHE 0.27 -0.79 1 89 SER 3.69 2.25 1 90 PHE 1.64 -0.24 1 91 LEU -0.21 -0.92 1 92 ALA 0.93 0.38 1 93 ASP 0.66 -0.32 1 94 SER 0.75 0.16 1 98 GLN 6.98 4.34 1 99 ARG 3.76 1.73 1 101 PHE 4.36 3.29 1 102 PHE 4.13 1.16 1 103 ALA 3.33 2.15 1 105 ILE 5.30 3.26 1 106 ALA 3.37 2.72 1 107 ILE 5.37 3.65 1 109 ILE 5.78 2.51 1 110 SER 7.57 5.76 1 111 VAL 6.76 4.36 1 112 ILE 5.91 4.09 1 113 LEU 4.38 2.14 1 114 ALA 4.62 2.38 1 115 VAL 7.29 4.46 1 116 MET 5.53 2.99 1 117 MET 2.20 3.82 1 118 TYR 3.60 2.53 1 119 ARG 1.29 0.22 1 120 SER -1.65 -0.90 1 121 LYS -1.44 -0.95 1 122 ALA 4.20 2.89 1 123 THR 2.04 0.34 1 124 GLN 2.19 -0.90 1 125 LYS 5.17 4.10 1 126 LEU 5.86 3.64 1 127 ASN 4.75 2.61 1 129 ILE 6.23 4.10 1 130 ALA 4.41 3.02 1 131 TYR 2.30 -0.32 1 132 ALA 2.78 2.03 1 133 LEU 5.24 3.06 1 134 ILE 6.15 4.36 1 135 ILE 5.73 4.47 1 138 ALA 3.12 2.12 1 139 LEU 3.73 1.55 1 141 ASN 3.58 1.89 1 142 LEU 4.51 3.10 1 143 PHE 5.08 2.65 1 144 ASP 0.93 3.05 1 145 ARG 4.73 2.90 1 146 LEU 3.34 2.14 1 147 TRP 0.42 0.85 1 148 HIS 3.56 2.92 1 150 PHE -1.66 -3.57 1 151 VAL -3.61 -2.59 1 152 VAL 2.83 1.18 1 153 ASP -2.16 -1.14 1 154 MET 2.83 0.32 1 155 ILE 4.75 1.32 1 156 ASP -4.43 -1.85 1 157 PHE -3.51 -2.14 1 158 TYR -4.43 -3.38 1 159 VAL -1.56 -0.88 1 161 ASP 0.34 -0.37 1 162 TRP 0.90 0.03 1 163 HIS -1.58 -1.40 1 164 PHE -0.49 -1.13 1 165 ALA 0.33 -0.05 1 166 THR 3.28 1.29 1 167 PHE -3.19 -2.07 1 168 ASN -2.05 -0.87 1 169 LEU 5.84 2.65 1 170 ALA 5.16 3.18 1 171 ASP 3.19 3.20 1 173 ALA 5.23 3.30 1 174 ILE 5.29 4.05 1 176 VAL 7.03 4.40 1 178 ALA 4.49 2.53 1 179 ALA 4.31 2.41 1 180 LEU 4.18 2.68 1 181 ILE 4.92 2.79 1 183 LEU 4.02 2.55 1 184 GLU 3.92 1.71 1 186 PHE -0.01 0.58 1 189 SER 0.44 -0.04 1 190 ARG 0.51 -0.46 1 191 ALA -0.01 -0.49 1 192 LYS 0.33 -0.40 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26857_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -5.58 _LACS_plot.Line_1_terminator_val_y_1 2.80 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.54 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.02 _LACS_plot.Line_2_terminator_val_x_2 7.57 _LACS_plot.Line_2_terminator_val_y_2 -2.56 _LACS_plot.Y_axis_chem_shift_offset 0.46 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 60 ILE 5.22 -5.36 0 53 ASP 2.36 2.55 0 12 SER 0.28 -0.57 1 13 ALA 0.61 -0.83 1 14 TRP -0.20 -0.61 1 15 SER -0.07 -0.58 1 16 HIS -1.12 -0.77 1 18 GLN -2.80 2.80 1 19 PHE 0.17 -0.78 1 22 SER 0.45 -0.50 1 24 LEU 0.69 -0.95 1 25 VAL 0.39 -0.80 1 27 ARG 0.76 -0.87 1 30 HIS 0.52 -0.34 1 32 SER 0.18 -0.42 1 33 GLN -0.04 -0.35 1 34 SER -0.32 -0.49 1 47 VAL 6.53 -2.47 1 48 VAL 7.10 -2.06 1 49 VAL 6.98 -2.10 1 50 LEU 3.69 -0.46 1 51 ILE 6.02 -2.01 1 52 ILE 5.87 -2.24 1 54 LEU 4.70 -2.12 1 57 LYS 5.21 -1.01 1 58 TYR 4.79 -0.95 1 59 LEU 3.39 -0.89 1 61 LEU 3.70 -1.76 1 62 GLN 0.64 -0.03 1 63 ASN -1.97 3.45 1 64 PHE -0.87 -0.20 1 65 ALA -1.89 -0.37 1 66 LEU 3.82 -2.09 1 68 ASP 0.89 0.32 1 69 THR -1.93 1.47 1 70 VAL -3.89 2.57 1 72 LEU 0.18 0.44 1 73 PHE -0.45 -0.41 1 76 LEU -3.99 3.08 1 77 ASN -4.27 2.22 1 78 LEU -2.01 0.10 1 79 HIS -3.81 2.22 1 80 TYR -0.61 -2.56 1 81 ALA -5.58 2.88 1 82 ARG -3.61 1.59 1 83 ASN -2.46 0.85 1 84 TYR 3.30 -1.58 1 86 ALA 0.63 -0.74 1 87 ALA 0.78 -0.94 1 88 PHE 0.27 -1.06 1 89 SER 3.69 -1.44 1 90 PHE 1.64 -1.88 1 91 LEU -0.21 -0.71 1 92 ALA 0.93 -0.55 1 93 ASP 0.66 -0.98 1 94 SER 0.75 -0.59 1 98 GLN 6.98 -2.64 1 99 ARG 3.76 -2.03 1 101 PHE 4.36 -1.07 1 102 PHE 4.13 -2.97 1 103 ALA 3.33 -1.18 1 105 ILE 5.30 -2.04 1 106 ALA 3.37 -0.65 1 107 ILE 5.37 -1.72 1 109 ILE 5.78 -3.27 1 110 SER 7.57 -1.81 1 111 VAL 6.76 -2.40 1 112 ILE 5.91 -1.82 1 113 LEU 4.38 -2.24 1 114 ALA 4.62 -2.24 1 115 VAL 7.29 -2.83 1 116 MET 5.53 -2.54 1 117 MET 2.20 1.62 1 118 TYR 3.60 -1.07 1 119 ARG 1.29 -1.07 1 120 SER -1.65 0.75 1 121 LYS -1.44 0.49 1 122 ALA 4.20 -1.31 1 123 THR 2.04 -1.70 1 124 GLN 2.19 -3.09 1 125 LYS 5.17 -1.07 1 126 LEU 5.86 -2.22 1 127 ASN 4.75 -2.14 1 129 ILE 6.23 -2.13 1 130 ALA 4.41 -1.39 1 131 TYR 2.30 -2.62 1 132 ALA 2.78 -0.75 1 133 LEU 5.24 -2.18 1 134 ILE 6.15 -1.79 1 135 ILE 5.73 -1.26 1 138 ALA 3.12 -1.00 1 139 LEU 3.73 -2.18 1 141 ASN 3.58 -1.69 1 142 LEU 4.51 -1.41 1 143 PHE 5.08 -2.43 1 144 ASP 0.93 2.12 1 145 ARG 4.73 -1.83 1 146 LEU 3.34 -1.20 1 147 TRP 0.42 0.43 1 148 HIS 3.56 -0.64 1 150 PHE -1.66 -1.91 1 151 VAL -3.61 1.02 1 152 VAL 2.83 -1.65 1 153 ASP -2.16 1.02 1 154 MET 2.83 -2.51 1 155 ILE 4.75 -3.43 1 156 ASP -4.43 2.58 1 157 PHE -3.51 1.37 1 158 TYR -4.43 1.05 1 159 VAL -1.56 0.68 1 161 ASP 0.34 -0.71 1 162 TRP 0.90 -0.87 1 163 HIS -1.58 0.18 1 164 PHE -0.49 -0.64 1 165 ALA 0.33 -0.38 1 166 THR 3.28 -1.99 1 167 PHE -3.19 1.12 1 168 ASN -2.05 1.18 1 169 LEU 5.84 -3.19 1 170 ALA 5.16 -1.98 1 171 ASP 3.19 0.01 1 173 ALA 5.23 -1.93 1 174 ILE 5.29 -1.24 1 176 VAL 7.03 -2.63 1 178 ALA 4.49 -1.96 1 179 ALA 4.31 -1.90 1 180 LEU 4.18 -1.50 1 181 ILE 4.92 -2.13 1 183 LEU 4.02 -1.47 1 184 GLU 3.92 -2.21 1 186 PHE -0.01 0.59 1 189 SER 0.44 -0.48 1 190 ARG 0.51 -0.97 1 191 ALA -0.01 -0.48 1 192 LYS 0.33 -0.73 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26857_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -5.58 _LACS_plot.Line_1_terminator_val_y_1 -1.89 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.41 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.73 _LACS_plot.Line_2_terminator_val_x_2 7.57 _LACS_plot.Line_2_terminator_val_y_2 1.86 _LACS_plot.Y_axis_chem_shift_offset 0.19 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 173 ALA 5.23 -2.49 0 150 PHE -1.66 -4.23 0 178 ALA 4.49 -2.97 0 81 ALA -5.58 -3.37 0 155 ILE 4.75 -3.00 0 12 SER 0.28 -0.30 1 14 TRP -0.20 0.01 1 15 SER -0.07 -1.03 1 22 SER 0.45 0.48 1 24 LEU 0.69 -0.53 1 27 ARG 0.76 0.08 1 30 HIS 0.52 1.10 1 32 SER 0.18 -0.34 1 47 VAL 6.53 0.69 1 48 VAL 7.10 0.73 1 49 VAL 6.98 0.55 1 50 LEU 3.69 0.88 1 51 ILE 6.02 1.87 1 52 ILE 5.87 2.33 1 53 ASP 2.36 1.65 1 54 LEU 4.70 2.52 1 57 LYS 5.21 1.18 1 58 TYR 4.79 1.32 1 59 LEU 3.39 2.64 1 60 ILE 5.22 0.52 1 61 LEU 3.70 2.22 1 62 GLN 0.64 0.88 1 63 ASN -1.97 -1.75 1 64 PHE -0.87 -0.98 1 65 ALA -1.89 0.74 1 66 LEU 3.82 0.94 1 68 ASP 0.89 0.37 1 69 THR -1.93 1.97 1 72 LEU 0.18 -2.54 1 76 LEU -3.99 -2.42 1 77 ASN -4.27 0.59 1 78 LEU -2.01 -0.57 1 79 HIS -3.81 -1.53 1 80 TYR -0.61 -2.71 1 82 ARG -3.61 -0.68 1 83 ASN -2.46 1.98 1 84 TYR 3.30 0.13 1 86 ALA 0.63 -2.07 1 87 ALA 0.78 -0.56 1 88 PHE 0.27 1.18 1 89 SER 3.69 0.78 1 90 PHE 1.64 -0.42 1 91 LEU -0.21 -1.14 1 92 ALA 0.93 -0.27 1 93 ASP 0.66 0.19 1 94 SER 0.75 0.82 1 98 GLN 6.98 1.37 1 101 PHE 4.36 1.83 1 102 PHE 4.13 3.79 1 103 ALA 3.33 1.79 1 105 ILE 5.30 -0.95 1 106 ALA 3.37 -0.95 1 107 ILE 5.37 0.70 1 109 ILE 5.78 0.49 1 110 SER 7.57 2.29 1 111 VAL 6.76 -1.38 1 112 ILE 5.91 1.39 1 113 LEU 4.38 0.84 1 114 ALA 4.62 2.15 1 115 VAL 7.29 1.92 1 116 MET 5.53 3.66 1 117 MET 2.20 2.58 1 118 TYR 3.60 -0.23 1 119 ARG 1.29 -0.63 1 120 SER -1.65 -0.26 1 121 LYS -1.44 2.52 1 122 ALA 4.20 0.92 1 123 THR 2.04 4.02 1 124 GLN 2.19 -0.02 1 125 LYS 5.17 -0.62 1 126 LEU 5.86 0.37 1 127 ASN 4.75 -0.45 1 129 ILE 6.23 0.96 1 130 ALA 4.41 1.91 1 132 ALA 2.78 2.47 1 133 LEU 5.24 1.15 1 134 ILE 6.15 3.82 1 135 ILE 5.73 2.11 1 138 ALA 3.12 4.23 1 139 LEU 3.73 0.43 1 141 ASN 3.58 2.56 1 142 LEU 4.51 0.21 1 143 PHE 5.08 1.42 1 144 ASP 0.93 0.79 1 145 ARG 4.73 4.54 1 146 LEU 3.34 -0.38 1 147 TRP 0.42 1.40 1 148 HIS 3.56 1.41 1 151 VAL -3.61 -0.39 1 152 VAL 2.83 -0.39 1 153 ASP -2.16 -3.68 1 154 MET 2.83 -2.48 1 156 ASP -4.43 -3.18 1 157 PHE -3.51 -2.12 1 158 TYR -4.43 -2.22 1 159 VAL -1.56 0.32 1 161 ASP 0.34 -1.84 1 162 TRP 0.90 -1.30 1 163 HIS -1.58 0.70 1 164 PHE -0.49 -1.23 1 165 ALA 0.33 -1.54 1 166 THR 3.28 2.22 1 167 PHE -3.19 -0.60 1 168 ASN -2.05 2.02 1 169 LEU 5.84 0.71 1 170 ALA 5.16 2.23 1 171 ASP 3.19 2.44 1 174 ILE 5.29 2.39 1 176 VAL 7.03 0.32 1 179 ALA 4.31 1.41 1 180 LEU 4.18 0.80 1 181 ILE 4.92 2.00 1 183 LEU 4.02 0.40 1 184 GLU 3.92 2.06 1 186 PHE -0.01 -1.73 1 189 SER 0.44 1.72 1 190 ARG 0.51 -0.37 1 191 ALA -0.01 -2.16 1 192 LYS 0.33 -0.30 1 stop_ save_