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 bmr15962_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -9.13 _LACS_plot.Line_1_terminator_val_y_1 -3.04 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 0.60 _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 8.44 _LACS_plot.Line_2_terminator_val_y_2 6.70 _LACS_plot.Y_axis_chem_shift_offset -0.02 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 75 TYR -1.14 -5.39 0 10 THR 4.09 3.75 1 11 TYR 1.23 0.57 1 12 SER 4.07 4.28 1 14 TRP 0.28 -0.27 1 15 THR -2.78 -1.86 1 16 VAL 6.35 4.27 1 17 ALA 3.20 2.98 1 18 ASP 4.43 3.10 1 19 TYR 5.23 5.50 1 20 LEU 3.62 2.91 1 21 ALA 3.51 2.85 1 22 ASP 1.94 3.58 1 23 TRP 6.64 5.72 1 24 SER 3.88 4.33 1 25 ALA 2.98 1.91 1 26 TYR -0.34 0.51 1 27 PHE 1.08 0.42 1 29 ASP -4.35 -2.73 1 30 VAL 1.01 -0.91 1 31 ASN 4.72 1.79 1 36 GLN -3.13 -1.73 1 37 VAL -2.49 -1.90 1 38 VAL 1.51 -0.91 1 39 ASP -2.96 -1.15 1 41 SER 2.11 0.48 1 42 ASN -0.18 -0.39 1 43 THR -1.55 -0.34 1 46 PHE -5.33 -0.67 1 47 ASN -6.44 -2.31 1 51 PHE -2.17 -1.11 1 52 ASP -7.01 -2.36 1 54 SER -0.34 -0.18 1 55 GLN -8.99 -1.19 1 56 TYR -4.21 -0.60 1 57 ALA -8.04 -3.15 1 58 LEU -3.99 -1.24 1 59 LYS -3.34 -1.74 1 60 SER -0.22 -0.60 1 61 THR 1.53 0.18 1 62 ALA -6.47 -4.54 1 63 SER -3.89 -1.48 1 64 ASP 0.12 0.24 1 65 ALA -0.48 0.15 1 66 ALA -6.48 -0.50 1 67 PHE -7.07 -2.56 1 68 ILE -3.94 -0.50 1 69 ALA -3.90 -2.24 1 72 ASP -0.25 0.23 1 73 LEU -5.21 -0.54 1 74 HIS 0.53 3.09 1 77 LEU 4.11 3.19 1 78 PHE 0.14 -0.91 1 79 SER 0.19 -0.64 1 80 ASN -0.31 0.14 1 82 SER 0.36 -0.07 1 83 HIS 1.64 2.04 1 84 THR 0.66 -0.93 1 85 LEU -4.39 -0.87 1 86 TRP -2.92 -2.24 1 88 LYS -3.06 -1.59 1 89 LEU -5.11 -1.36 1 90 ASP -2.47 1.32 1 91 SER -4.31 -1.44 1 92 ILE -4.76 -1.44 1 93 ALA -4.12 -1.72 1 94 LEU -2.36 -1.51 1 96 ASP -4.69 -0.64 1 97 THR 7.14 2.64 1 98 LEU -0.58 0.01 1 99 THR -3.87 -1.81 1 102 ALA 2.10 2.72 1 103 SER 0.90 0.21 1 104 SER -0.66 -0.66 1 107 TYR -1.56 0.63 1 108 ALA -4.15 -0.95 1 109 LEU -3.19 -2.42 1 110 ASP 1.82 2.31 1 111 SER -1.96 -2.63 1 112 GLN 0.15 0.77 1 113 GLU 1.29 1.84 1 114 VAL -6.80 -2.01 1 115 SER -4.49 -2.18 1 116 PHE -4.08 -1.71 1 117 SER -2.54 -0.77 1 118 ASN 2.33 0.58 1 119 LEU 2.46 2.00 1 121 LEU -0.92 -0.58 1 122 ASP -2.88 -0.45 1 123 SER -3.89 -0.49 1 125 ILE 6.08 3.49 1 126 ALA 1.39 1.30 1 127 GLN 0.85 0.82 1 129 ARG 2.42 0.90 1 130 ASP -0.50 0.20 1 132 THR 5.70 5.30 1 133 VAL 8.45 6.93 1 134 HIS 4.24 7.41 1 135 LYS 4.89 4.74 1 136 VAL 5.61 4.32 1 137 VAL 6.25 5.32 1 138 TYR 3.26 4.43 1 140 LEU 4.25 3.15 1 141 MET 3.78 4.31 1 142 SER -1.92 -2.09 1 144 ASP -2.83 -1.74 1 145 SER 0.45 0.93 1 146 SER 4.36 3.98 1 147 ALA 4.66 3.00 1 148 LEU 4.59 3.17 1 149 GLN 5.51 5.18 1 151 GLN 3.48 1.64 1 152 ILE 5.44 3.37 1 153 ASP 3.86 5.62 1 154 ALA 3.50 2.61 1 155 LEU 2.11 2.67 1 156 LEU 3.98 2.96 1 157 LYS 2.63 2.31 1 158 ALA 1.92 1.06 1 159 VAL 4.39 3.24 1 160 ASP -3.05 0.00 1 162 SER 1.29 1.48 1 163 LEU -2.38 -1.27 1 164 SER -4.00 -0.22 1 165 ILE 0.69 0.97 1 166 ASN 0.17 0.38 1 167 SER 1.21 1.76 1 168 THR -3.55 -1.94 1 169 PHE 3.69 3.65 1 170 ASP 4.69 3.32 1 171 GLN 3.16 2.21 1 172 LEU 2.71 2.21 1 173 ALA 3.62 2.22 1 174 ALA -1.75 -0.43 1 175 ALA -0.37 -0.16 1 177 VAL -9.13 -3.83 1 178 ALA -2.69 0.04 1 179 HIS -2.29 -1.91 1 180 ALA -0.12 -0.84 1 181 THR -0.52 -0.10 1 183 ALA 0.02 1.23 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15962_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -9.13 _LACS_plot.Line_1_terminator_val_y_1 6.09 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -1.39 _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 8.44 _LACS_plot.Line_2_terminator_val_y_2 -1.74 _LACS_plot.Y_axis_chem_shift_offset -0.02 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 75 TYR -1.14 -4.25 0 10 THR 4.09 -0.34 1 11 TYR 1.23 -0.66 1 12 SER 4.07 0.21 1 14 TRP 0.28 -0.55 1 15 THR -2.78 0.92 1 16 VAL 6.35 -2.08 1 17 ALA 3.20 -0.22 1 18 ASP 4.43 -1.33 1 19 TYR 5.23 0.27 1 20 LEU 3.62 -0.71 1 21 ALA 3.51 -0.66 1 22 ASP 1.94 1.64 1 23 TRP 6.64 -0.92 1 24 SER 3.88 0.45 1 25 ALA 2.98 -1.07 1 26 TYR -0.34 0.85 1 27 PHE 1.08 -0.66 1 29 ASP -4.35 1.62 1 30 VAL 1.01 -1.92 1 31 ASN 4.72 -2.93 1 36 GLN -3.13 1.40 1 37 VAL -2.49 0.59 1 38 VAL 1.51 -2.42 1 39 ASP -2.96 1.81 1 41 SER 2.11 -1.63 1 42 ASN -0.18 -0.21 1 43 THR -1.55 1.21 1 46 PHE -5.33 4.66 1 47 ASN -6.44 4.13 1 51 PHE -2.17 1.06 1 52 ASP -7.01 4.65 1 54 SER -0.34 0.16 1 55 GLN -8.99 7.80 1 56 TYR -4.21 3.61 1 57 ALA -8.04 4.89 1 58 LEU -3.99 2.75 1 59 LYS -3.34 1.60 1 60 SER -0.22 -0.38 1 61 THR 1.53 -1.35 1 62 ALA -6.47 1.93 1 63 SER -3.89 2.41 1 64 ASP 0.12 0.12 1 65 ALA -0.48 0.63 1 66 ALA -6.48 5.98 1 67 PHE -7.07 4.51 1 68 ILE -3.94 3.44 1 69 ALA -3.90 1.66 1 72 ASP -0.25 0.48 1 73 LEU -5.21 4.67 1 74 HIS 0.53 2.56 1 77 LEU 4.11 -0.92 1 78 PHE 0.14 -1.05 1 79 SER 0.19 -0.83 1 80 ASN -0.31 0.45 1 82 SER 0.36 -0.43 1 83 HIS 1.64 0.40 1 84 THR 0.66 -1.59 1 85 LEU -4.39 3.52 1 86 TRP -2.92 0.68 1 88 LYS -3.06 1.47 1 89 LEU -5.11 3.75 1 90 ASP -2.47 3.79 1 91 SER -4.31 2.87 1 92 ILE -4.76 3.32 1 93 ALA -4.12 2.40 1 94 LEU -2.36 0.85 1 96 ASP -4.69 4.05 1 97 THR 7.14 -4.50 1 98 LEU -0.58 0.59 1 99 THR -3.87 2.06 1 102 ALA 2.10 0.62 1 103 SER 0.90 -0.69 1 104 SER -0.66 0.00 1 107 TYR -1.56 2.19 1 108 ALA -4.15 3.20 1 109 LEU -3.19 0.77 1 110 ASP 1.82 0.49 1 111 SER -1.96 -0.67 1 112 GLN 0.15 0.62 1 113 GLU 1.29 0.55 1 114 VAL -6.80 4.79 1 115 SER -4.49 2.31 1 116 PHE -4.08 2.37 1 117 SER -2.54 1.77 1 118 ASN 2.33 -1.75 1 119 LEU 2.46 -0.46 1 121 LEU -0.92 0.34 1 122 ASP -2.88 2.43 1 123 SER -3.89 3.40 1 125 ILE 6.08 -2.59 1 126 ALA 1.39 -0.09 1 127 GLN 0.85 -0.03 1 129 ARG 2.42 -1.52 1 130 ASP -0.50 0.70 1 132 THR 5.70 -0.40 1 133 VAL 8.45 -1.52 1 134 HIS 4.24 3.17 1 135 LYS 4.89 -0.15 1 136 VAL 5.61 -1.29 1 137 VAL 6.25 -0.93 1 138 TYR 3.26 1.17 1 140 LEU 4.25 -1.10 1 141 MET 3.78 0.53 1 142 SER -1.92 -0.17 1 144 ASP -2.83 1.09 1 145 SER 0.45 0.48 1 146 SER 4.36 -0.38 1 147 ALA 4.66 -1.66 1 148 LEU 4.59 -1.42 1 149 GLN 5.51 -0.33 1 151 GLN 3.48 -1.84 1 152 ILE 5.44 -2.07 1 153 ASP 3.86 1.76 1 154 ALA 3.50 -0.89 1 155 LEU 2.11 0.56 1 156 LEU 3.98 -1.02 1 157 LYS 2.63 -0.32 1 158 ALA 1.92 -0.86 1 159 VAL 4.39 -1.15 1 160 ASP -3.05 3.05 1 162 SER 1.29 0.19 1 163 LEU -2.38 1.11 1 164 SER -4.00 3.78 1 165 ILE 0.69 0.28 1 166 ASN 0.17 0.21 1 167 SER 1.21 0.55 1 168 THR -3.55 1.61 1 169 PHE 3.69 -0.04 1 170 ASP 4.69 -1.37 1 171 GLN 3.16 -0.95 1 172 LEU 2.71 -0.50 1 173 ALA 3.62 -1.40 1 174 ALA -1.75 1.32 1 175 ALA -0.37 0.21 1 177 VAL -9.13 5.30 1 178 ALA -2.69 2.73 1 179 HIS -2.29 0.38 1 180 ALA -0.12 -0.72 1 181 THR -0.52 0.42 1 183 ALA 0.02 1.21 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15962_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -9.13 _LACS_plot.Line_1_terminator_val_y_1 -3.35 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 0.70 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.88 _LACS_plot.Line_2_terminator_val_x_2 8.44 _LACS_plot.Line_2_terminator_val_y_2 2.91 _LACS_plot.Y_axis_chem_shift_offset 0.09 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 77 LEU 4.11 -6.50 0 10 THR 4.09 0.05 1 11 TYR 1.23 -0.78 1 12 SER 4.07 2.00 1 14 TRP 0.28 0.16 1 15 THR -2.78 0.91 1 16 VAL 6.35 2.17 1 17 ALA 3.20 1.78 1 18 ASP 4.43 3.80 1 19 TYR 5.23 0.99 1 20 LEU 3.62 1.93 1 21 ALA 3.51 2.62 1 22 ASP 1.94 2.08 1 23 TRP 6.64 2.60 1 24 SER 3.88 2.41 1 25 ALA 2.98 1.10 1 26 TYR -0.34 2.09 1 27 PHE 1.08 1.01 1 29 ASP -4.35 1.80 1 30 VAL 1.01 0.11 1 31 ASN 4.72 -1.00 1 36 GLN -3.13 4.29 1 37 VAL -2.49 -2.40 1 38 VAL 1.51 0.39 1 39 ASP -2.96 0.91 1 41 SER 2.11 -0.43 1 42 ASN -0.18 1.20 1 43 THR -1.55 0.93 1 46 PHE -5.33 0.36 1 47 ASN -6.44 1.60 1 51 PHE -2.17 -4.87 1 52 ASP -7.01 -1.43 1 54 SER -0.34 2.24 1 55 GLN -8.99 -0.74 1 56 TYR -4.21 -3.73 1 57 ALA -8.04 -3.45 1 58 LEU -3.99 -4.97 1 59 LYS -3.34 -2.14 1 60 SER -0.22 0.29 1 61 THR 1.53 0.07 1 62 ALA -6.47 -1.16 1 63 SER -3.89 -2.15 1 64 ASP 0.12 -0.41 1 65 ALA -0.48 -2.54 1 66 ALA -6.48 -3.57 1 67 PHE -7.07 -2.86 1 68 ILE -3.94 -0.05 1 69 ALA -3.90 -2.60 1 72 ASP -0.25 -2.56 1 73 LEU -5.21 -1.45 1 74 HIS 0.53 -0.39 1 75 TYR -1.14 -1.70 1 78 PHE 0.14 -4.70 1 79 SER 0.19 -4.02 1 80 ASN -0.31 0.10 1 82 SER 0.36 0.20 1 83 HIS 1.64 2.20 1 84 THR 0.66 0.00 1 85 LEU -4.39 -3.29 1 86 TRP -2.92 -3.87 1 88 LYS -3.06 -1.43 1 89 LEU -5.11 -4.67 1 90 ASP -2.47 0.50 1 91 SER -4.31 -1.01 1 92 ILE -4.76 -3.64 1 93 ALA -4.12 -3.01 1 94 LEU -2.36 -0.77 1 96 ASP -4.69 -2.19 1 97 THR 7.14 -2.14 1 98 LEU -0.58 -1.06 1 99 THR -3.87 -1.00 1 102 ALA 2.10 -2.43 1 103 SER 0.90 0.42 1 104 SER -0.66 -0.09 1 107 TYR -1.56 -0.08 1 108 ALA -4.15 -3.12 1 109 LEU -3.19 -0.54 1 110 ASP 1.82 1.27 1 111 SER -1.96 -1.35 1 112 GLN 0.15 -0.81 1 113 GLU 1.29 -1.26 1 114 VAL -6.80 -2.60 1 115 SER -4.49 -2.16 1 116 PHE -4.08 -1.58 1 117 SER -2.54 -1.67 1 118 ASN 2.33 0.57 1 119 LEU 2.46 1.26 1 121 LEU -0.92 -1.23 1 122 ASP -2.88 -0.39 1 123 SER -3.89 -0.70 1 125 ILE 6.08 0.11 1 126 ALA 1.39 1.29 1 127 GLN 0.85 1.54 1 129 ARG 2.42 -1.42 1 130 ASP -0.50 0.73 1 132 THR 5.70 0.52 1 133 VAL 8.45 0.27 1 134 HIS 4.24 4.27 1 135 LYS 4.89 4.95 1 136 VAL 5.61 1.96 1 137 VAL 6.25 0.64 1 138 TYR 3.26 3.88 1 140 LEU 4.25 1.64 1 141 MET 3.78 -1.27 1 142 SER -1.92 -0.28 1 144 ASP -2.83 -0.78 1 145 SER 0.45 0.59 1 146 SER 4.36 2.61 1 147 ALA 4.66 3.25 1 148 LEU 4.59 0.32 1 149 GLN 5.51 1.83 1 151 GLN 3.48 2.15 1 152 ILE 5.44 0.89 1 153 ASP 3.86 0.94 1 154 ALA 3.50 -5.22 1 155 LEU 2.11 2.67 1 156 LEU 3.98 0.95 1 157 LYS 2.63 1.83 1 158 ALA 1.92 1.71 1 159 VAL 4.39 0.39 1 160 ASP -3.05 -1.10 1 162 SER 1.29 -0.03 1 163 LEU -2.38 -2.73 1 164 SER -4.00 0.53 1 165 ILE 0.69 -2.23 1 166 ASN 0.17 -0.39 1 167 SER 1.21 -1.35 1 168 THR -3.55 2.26 1 169 PHE 3.69 3.91 1 170 ASP 4.69 4.33 1 171 GLN 3.16 1.89 1 172 LEU 2.71 4.48 1 173 ALA 3.62 1.24 1 174 ALA -1.75 -0.12 1 175 ALA -0.37 -2.67 1 177 VAL -9.13 -2.45 1 178 ALA -2.69 -1.58 1 179 HIS -2.29 0.88 1 180 ALA -0.12 -0.80 1 181 THR -0.52 -1.36 1 183 ALA 0.02 -1.60 1 stop_ save_