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 bmr18021_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.04 _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 0.30 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.72 _LACS_plot.Line_2_terminator_val_x_2 7.21 _LACS_plot.Line_2_terminator_val_y_2 5.06 _LACS_plot.Y_axis_chem_shift_offset 0.33 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 82 MET 1.80 -3.12 0 10 LEU -4.60 -1.78 1 11 ASP -2.10 -0.88 1 13 SER 0.39 0.04 1 14 ASN 2.71 2.02 1 15 SER 3.44 1.43 1 16 ILE 1.80 0.76 1 17 TYR -3.45 -0.19 1 19 TRP 1.80 1.32 1 20 ASP 2.80 1.32 1 21 SER 4.72 3.82 1 22 VAL 6.60 3.42 1 23 THR 6.40 3.72 1 24 ALA 3.60 2.42 1 25 PHE 3.90 2.62 1 26 LEU 2.90 1.92 1 27 ASN 2.79 4.11 1 28 ASP 3.82 2.21 1 29 LEU 2.00 1.92 1 30 LEU 3.10 1.52 1 31 GLU 3.40 1.82 1 32 ARG 0.00 -1.08 1 33 MET -0.80 -0.08 1 34 ASP -0.30 -1.38 1 35 ILE -1.40 -2.98 1 38 LYS -0.80 -1.98 1 39 GLN 0.10 -0.68 1 40 THR 2.04 1.51 1 41 GLN -5.10 -1.28 1 42 VAL -5.80 -2.78 1 44 ILE -2.70 -0.88 1 45 VAL -4.79 -2.88 1 46 GLN -5.11 -2.69 1 47 TYR -8.03 -3.08 1 49 GLU 1.25 1.07 1 50 ASN -4.38 -2.46 1 51 VAL -1.19 -0.47 1 52 THR -2.10 -0.33 1 53 HIS -0.11 1.33 1 54 GLU 3.48 1.16 1 55 PHE -1.90 -1.15 1 56 ASN -1.89 -1.70 1 57 LEU 2.30 3.17 1 58 ASN -1.92 -2.53 1 59 LYS 3.19 2.47 1 60 TYR -3.06 -1.49 1 61 SER -1.48 -1.26 1 62 SER -4.46 -1.69 1 63 THR 6.23 5.14 1 64 GLU 4.51 3.46 1 65 GLU 1.45 2.07 1 66 VAL 5.42 3.31 1 67 LEU 4.50 2.51 1 68 VAL 4.96 3.58 1 69 ALA 1.65 2.05 1 70 ALA 4.26 2.26 1 71 LYS 2.62 1.72 1 72 LYS -0.46 -0.72 1 73 ILE 3.20 1.69 1 74 VAL -2.52 -2.38 1 75 GLN 1.45 -0.81 1 76 ARG 3.32 1.67 1 80 GLN -3.06 -1.14 1 81 THR -0.09 -0.48 1 83 THR 5.01 3.71 1 84 ALA 6.54 3.67 1 85 LEU 3.90 2.42 1 87 ILE 5.09 4.59 1 88 ASP 1.59 2.76 1 89 THR 7.20 5.10 1 90 ALA 3.84 2.71 1 91 ARG 5.64 4.38 1 92 LYS 1.43 1.87 1 93 GLU -2.09 0.12 1 94 ALA 2.64 2.62 1 95 PHE 2.61 -0.29 1 96 THR -5.01 -2.66 1 98 ALA 3.25 2.05 1 99 ARG 1.98 0.41 1 101 ALA 1.59 0.13 1 102 ARG -2.31 -1.26 1 103 ARG 2.61 1.12 1 105 VAL 0.04 -1.34 1 106 LYS 1.36 1.08 1 107 LYS -2.77 -1.22 1 108 VAL -5.33 -2.07 1 109 MET -8.04 -2.24 1 110 VAL -2.39 -1.67 1 111 ILE -2.45 -0.17 1 112 VAL -1.91 -1.59 1 113 THR -1.37 -1.98 1 114 ASP -5.86 -2.74 1 116 GLU -1.87 -0.45 1 117 SER -0.61 0.41 1 118 HIS 1.29 3.74 1 119 ASP -0.32 -2.88 1 120 ASN 3.86 3.45 1 121 HIS 2.94 2.97 1 122 ARG -0.74 -0.52 1 123 LEU 3.83 3.31 1 124 LYS 5.81 4.02 1 125 LYS 2.99 1.94 1 126 VAL 5.09 3.64 1 127 ILE 6.21 2.53 1 128 GLN 4.58 2.71 1 129 ASP 5.25 3.40 1 131 GLU 3.32 2.11 1 132 ASP 3.63 2.41 1 133 GLU -0.34 -0.78 1 134 ASN 3.22 0.82 1 135 ILE 0.14 -0.04 1 136 GLN 0.22 -0.15 1 137 ARG -1.28 -1.50 1 138 PHE -3.40 -1.29 1 139 SER -5.94 -2.93 1 140 ILE -3.32 -1.44 1 141 ALA -3.62 -3.48 1 142 ILE -0.70 -1.12 1 143 LEU 3.65 1.38 1 145 SER 5.37 4.04 1 146 TYR 5.99 3.90 1 147 ASN 4.62 2.75 1 148 ARG 4.12 4.06 1 150 ASN 2.72 1.18 1 151 LEU -2.54 -1.88 1 152 SER 1.21 0.17 1 153 THR 0.05 0.00 1 154 GLU 5.22 4.49 1 155 LYS 4.54 2.67 1 156 PHE 1.19 0.21 1 157 VAL 7.22 5.32 1 158 GLU 3.57 2.47 1 159 GLU 3.16 2.90 1 160 ILE 6.29 0.63 1 161 LYS 5.65 4.18 1 162 SER 3.71 2.38 1 163 ILE 0.93 1.22 1 164 ALA -0.20 -0.46 1 165 SER 5.27 3.19 1 168 THR 6.52 5.12 1 169 GLU 3.72 2.19 1 170 LYS -0.72 -0.38 1 171 HIS 0.55 2.94 1 172 PHE -4.09 -2.35 1 173 PHE -4.68 -2.01 1 174 ASN -3.05 -1.80 1 175 VAL -3.49 -2.62 1 176 SER 4.31 3.35 1 177 ASP -3.52 -1.05 1 178 GLU 6.53 5.65 1 179 LEU 4.13 1.61 1 180 ALA -0.80 -1.06 1 181 LEU 5.09 3.70 1 182 VAL 3.56 1.98 1 183 THR 2.43 2.12 1 184 ILE 0.47 -0.17 1 185 VAL 6.75 5.04 1 186 LYS 5.20 3.38 1 187 THR 4.95 3.58 1 188 LEU 5.01 3.21 1 190 GLU 0.99 0.48 1 191 ARG -0.68 0.57 1 192 ILE 4.06 3.88 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18021_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.04 _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 -1.70 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.28 _LACS_plot.Line_2_terminator_val_x_2 7.21 _LACS_plot.Line_2_terminator_val_y_2 -2.15 _LACS_plot.Y_axis_chem_shift_offset 0.33 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 82 MET 1.80 -4.92 0 10 LEU -4.60 2.82 1 11 ASP -2.10 1.22 1 13 SER 0.39 -0.35 1 14 ASN 2.71 -0.69 1 15 SER 3.44 -2.01 1 16 ILE 1.80 -1.04 1 17 TYR -3.45 3.26 1 19 TRP 1.80 -0.48 1 20 ASP 2.80 -1.48 1 21 SER 4.72 -0.90 1 22 VAL 6.60 -3.18 1 23 THR 6.40 -2.68 1 24 ALA 3.60 -1.18 1 25 PHE 3.90 -1.28 1 26 LEU 2.90 -0.98 1 27 ASN 2.79 1.32 1 28 ASP 3.82 -1.61 1 29 LEU 2.00 -0.08 1 30 LEU 3.10 -1.58 1 31 GLU 3.40 -1.58 1 32 ARG 0.00 -1.08 1 33 MET -0.80 0.72 1 34 ASP -0.30 -1.08 1 35 ILE -1.40 -1.58 1 38 LYS -0.80 -1.18 1 39 GLN 0.10 -0.78 1 40 THR 2.04 -0.53 1 41 GLN -5.10 3.82 1 42 VAL -5.80 3.02 1 44 ILE -2.70 1.82 1 45 VAL -4.79 1.91 1 46 GLN -5.11 2.42 1 47 TYR -8.03 4.95 1 49 GLU 1.25 -0.18 1 50 ASN -4.38 1.92 1 51 VAL -1.19 0.72 1 52 THR -2.10 1.77 1 53 HIS -0.11 1.44 1 54 GLU 3.48 -2.32 1 55 PHE -1.90 0.75 1 56 ASN -1.89 0.19 1 57 LEU 2.30 0.87 1 58 ASN -1.92 -0.61 1 59 LYS 3.19 -0.72 1 60 TYR -3.06 1.57 1 61 SER -1.48 0.22 1 62 SER -4.46 2.77 1 63 THR 6.23 -1.09 1 64 GLU 4.51 -1.05 1 65 GLU 1.45 0.62 1 66 VAL 5.42 -2.11 1 67 LEU 4.50 -1.99 1 68 VAL 4.96 -1.38 1 69 ALA 1.65 0.40 1 70 ALA 4.26 -2.00 1 71 LYS 2.62 -0.90 1 72 LYS -0.46 -0.26 1 73 ILE 3.20 -1.51 1 74 VAL -2.52 0.14 1 75 GLN 1.45 -2.26 1 76 ARG 3.32 -1.65 1 80 GLN -3.06 1.92 1 81 THR -0.09 -0.39 1 83 THR 5.01 -1.30 1 84 ALA 6.54 -2.87 1 85 LEU 3.90 -1.48 1 87 ILE 5.09 -0.50 1 88 ASP 1.59 1.17 1 89 THR 7.20 -2.10 1 90 ALA 3.84 -1.13 1 91 ARG 5.64 -1.26 1 92 LYS 1.43 0.44 1 93 GLU -2.09 2.21 1 94 ALA 2.64 -0.02 1 95 PHE 2.61 -2.90 1 96 THR -5.01 2.35 1 98 ALA 3.25 -1.20 1 99 ARG 1.98 -1.57 1 101 ALA 1.59 -1.46 1 102 ARG -2.31 1.05 1 103 ARG 2.61 -1.49 1 105 VAL 0.04 -1.38 1 106 LYS 1.36 -0.28 1 107 LYS -2.77 1.55 1 108 VAL -5.33 3.26 1 109 MET -8.04 5.80 1 110 VAL -2.39 0.72 1 111 ILE -2.45 2.28 1 112 VAL -1.91 0.32 1 113 THR -1.37 -0.61 1 114 ASP -5.86 3.12 1 116 GLU -1.87 1.42 1 117 SER -0.61 1.02 1 118 HIS 1.29 2.45 1 119 ASP -0.32 -2.56 1 120 ASN 3.86 -0.41 1 121 HIS 2.94 0.03 1 122 ARG -0.74 0.22 1 123 LEU 3.83 -0.52 1 124 LYS 5.81 -1.79 1 125 LYS 2.99 -1.05 1 126 VAL 5.09 -1.45 1 127 ILE 6.21 -3.68 1 128 GLN 4.58 -1.87 1 129 ASP 5.25 -1.85 1 131 GLU 3.32 -1.21 1 132 ASP 3.63 -1.22 1 133 GLU -0.34 -0.44 1 134 ASN 3.22 -2.40 1 135 ILE 0.14 -0.18 1 136 GLN 0.22 -0.37 1 137 ARG -1.28 -0.22 1 138 PHE -3.40 2.11 1 139 SER -5.94 3.01 1 140 ILE -3.32 1.88 1 141 ALA -3.62 0.14 1 142 ILE -0.70 -0.42 1 143 LEU 3.65 -2.27 1 145 SER 5.37 -1.33 1 146 TYR 5.99 -2.09 1 147 ASN 4.62 -1.87 1 148 ARG 4.12 -0.06 1 150 ASN 2.72 -1.54 1 151 LEU -2.54 0.66 1 152 SER 1.21 -1.04 1 153 THR 0.05 -0.05 1 154 GLU 5.22 -0.73 1 155 LYS 4.54 -1.87 1 156 PHE 1.19 -0.98 1 157 VAL 7.22 -1.90 1 158 GLU 3.57 -1.10 1 159 GLU 3.16 -0.26 1 160 ILE 6.29 -5.66 1 161 LYS 5.65 -1.47 1 162 SER 3.71 -1.33 1 163 ILE 0.93 0.29 1 164 ALA -0.20 -0.26 1 165 SER 5.27 -2.08 1 168 THR 6.52 -1.40 1 169 GLU 3.72 -1.53 1 170 LYS -0.72 0.34 1 171 HIS 0.55 2.39 1 172 PHE -4.09 1.74 1 173 PHE -4.68 2.67 1 174 ASN -3.05 1.25 1 175 VAL -3.49 0.87 1 176 SER 4.31 -0.96 1 177 ASP -3.52 2.47 1 178 GLU 6.53 -0.88 1 179 LEU 4.13 -2.52 1 180 ALA -0.80 -0.26 1 181 LEU 5.09 -1.39 1 182 VAL 3.56 -1.58 1 183 THR 2.43 -0.31 1 184 ILE 0.47 -0.64 1 185 VAL 6.75 -1.71 1 186 LYS 5.20 -1.82 1 187 THR 4.95 -1.37 1 188 LEU 5.01 -1.80 1 190 GLU 0.99 -0.51 1 191 ARG -0.68 1.25 1 192 ILE 4.06 -0.18 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18021_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -8.04 _LACS_plot.Line_1_terminator_val_y_1 -2.84 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.58 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.80 _LACS_plot.Line_2_terminator_val_x_2 7.21 _LACS_plot.Line_2_terminator_val_y_2 2.31 _LACS_plot.Y_axis_chem_shift_offset 0.11 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 141 ALA -3.62 3.19 0 10 LEU -4.60 -3.39 1 11 ASP -2.10 -1.89 1 13 SER 0.39 0.70 1 14 ASN 2.71 -0.59 1 15 SER 3.44 -0.71 1 16 ILE 1.80 -0.45 1 19 TRP 1.80 0.97 1 20 ASP 2.80 1.79 1 21 SER 4.72 1.77 1 22 VAL 6.60 1.79 1 23 THR 6.40 3.06 1 24 ALA 3.60 0.93 1 25 PHE 3.90 -0.45 1 26 LEU 2.90 0.38 1 27 ASN 2.79 0.48 1 28 ASP 3.82 1.91 1 29 LEU 2.00 0.26 1 30 LEU 3.10 1.63 1 31 GLU 3.40 0.34 1 32 ARG 0.00 0.14 1 33 MET -0.80 -1.52 1 34 ASP -0.30 -2.51 1 35 ILE -1.40 0.19 1 38 LYS -0.80 -0.21 1 39 GLN 0.10 0.12 1 40 THR 2.04 -2.20 1 41 GLN -5.10 -1.82 1 42 VAL -5.80 -2.94 1 44 ILE -2.70 -2.21 1 45 VAL -4.79 -2.88 1 46 GLN -5.11 -1.76 1 47 TYR -8.03 -3.15 1 49 GLU 1.25 -1.64 1 50 ASN -4.38 -1.01 1 51 VAL -1.19 -1.49 1 52 THR -2.10 -1.09 1 53 HIS -0.11 1.55 1 54 GLU 3.48 2.31 1 55 PHE -1.90 -1.52 1 56 ASN -1.89 1.12 1 57 LEU 2.30 -1.57 1 58 ASN -1.92 1.84 1 59 LYS 3.19 -0.21 1 60 TYR -3.06 0.62 1 61 SER -1.48 -2.60 1 62 SER -4.46 -0.17 1 63 THR 6.23 0.90 1 64 GLU 4.51 2.27 1 65 GLU 1.45 2.65 1 66 VAL 5.42 0.39 1 67 LEU 4.50 2.52 1 68 VAL 4.96 1.91 1 69 ALA 1.65 3.88 1 70 ALA 4.26 0.45 1 71 LYS 2.62 1.03 1 72 LYS -0.46 0.24 1 73 ILE 3.20 0.52 1 74 VAL -2.52 -2.66 1 75 GLN 1.45 1.12 1 76 ARG 3.32 1.79 1 82 MET 1.80 -1.52 1 83 THR 5.01 1.17 1 84 ALA 6.54 1.61 1 85 LEU 3.90 3.69 1 87 ILE 5.09 1.36 1 88 ASP 1.59 2.63 1 89 THR 7.20 2.19 1 90 ALA 3.84 0.49 1 91 ARG 5.64 1.02 1 92 LYS 1.43 0.46 1 93 GLU -2.09 1.04 1 94 ALA 2.64 0.55 1 95 PHE 2.61 -0.46 1 96 THR -5.01 1.79 1 98 ALA 3.25 1.45 1 99 ARG 1.98 -2.30 1 101 ALA 1.59 0.24 1 102 ARG -2.31 0.30 1 103 ARG 2.61 1.91 1 105 VAL 0.04 -0.47 1 106 LYS 1.36 -2.52 1 107 LYS -2.77 -0.35 1 108 VAL -5.33 -2.44 1 109 MET -8.04 -1.22 1 110 VAL -2.39 -2.19 1 111 ILE -2.45 -2.41 1 112 VAL -1.91 -2.16 1 113 THR -1.37 -3.13 1 114 ASP -5.86 0.83 1 116 GLU -1.87 0.04 1 117 SER -0.61 2.63 1 118 HIS 1.29 1.82 1 119 ASP -0.32 -0.17 1 120 ASN 3.86 1.91 1 121 HIS 2.94 2.40 1 122 ARG -0.74 0.27 1 123 LEU 3.83 -0.53 1 124 LYS 5.81 2.73 1 125 LYS 2.99 0.77 1 126 VAL 5.09 3.44 1 127 ILE 6.21 1.46 1 128 GLN 4.58 2.35 1 129 ASP 5.25 3.23 1 131 GLU 3.32 -1.27 1 132 ASP 3.63 1.43 1 133 GLU -0.34 -1.77 1 134 ASN 3.22 -0.55 1 135 ILE 0.14 -1.20 1 136 GLN 0.22 -0.89 1 137 ARG -1.28 -0.63 1 138 PHE -3.40 -0.27 1 139 SER -5.94 -2.94 1 140 ILE -3.32 -2.44 1 142 ILE -0.70 0.72 1 143 LEU 3.65 -0.93 1 145 SER 5.37 4.63 1 146 TYR 5.99 2.73 1 147 ASN 4.62 5.46 1 148 ARG 4.12 2.01 1 150 ASN 2.72 -0.94 1 151 LEU -2.54 -0.04 1 152 SER 1.21 3.56 1 153 THR 0.05 0.51 1 154 GLU 5.22 2.00 1 155 LYS 4.54 2.57 1 156 PHE 1.19 0.21 1 157 VAL 7.22 1.04 1 158 GLU 3.57 2.56 1 159 GLU 3.16 2.98 1 160 ILE 6.29 4.13 1 161 LYS 5.65 1.82 1 162 SER 3.71 0.35 1 163 ILE 0.93 -1.02 1 164 ALA -0.20 0.70 1 169 GLU 3.72 0.89 1 170 LYS -0.72 -0.38 1 171 HIS 0.55 -1.55 1 172 PHE -4.09 -1.71 1 173 PHE -4.68 -3.99 1 174 ASN -3.05 -0.68 1 175 VAL -3.49 -0.45 1 176 SER 4.31 -1.24 1 177 ASP -3.52 -2.02 1 178 GLU 6.53 2.16 1 179 LEU 4.13 0.55 1 180 ALA -0.80 1.97 1 181 LEU 5.09 0.08 1 182 VAL 3.56 1.48 1 183 THR 2.43 2.15 1 184 ILE 0.47 -0.23 1 185 VAL 6.75 0.84 1 186 LYS 5.20 1.86 1 187 THR 4.95 1.41 1 188 LEU 5.01 0.75 1 190 GLU 0.99 1.09 1 191 ARG -0.68 -0.85 1 192 ILE 4.06 3.70 1 stop_ save_