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 bmr25043_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.34 _LACS_plot.Line_1_terminator_val_y_1 -6.07 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.83 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -3.94 _LACS_plot.Line_2_terminator_val_x_2 8.50 _LACS_plot.Line_2_terminator_val_y_2 3.83 _LACS_plot.Y_axis_chem_shift_offset 2.56 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 37 LYS -8.24 -3.46 0 10 LEU -5.64 -5.24 1 12 VAL -4.29 -5.89 1 13 TYR -5.10 -4.64 1 15 LEU -1.65 -4.24 1 16 ASP 0.17 -1.35 1 17 GLN 2.42 -0.31 1 18 SER 1.59 -0.99 1 19 LYS -2.66 -2.38 1 20 MET -1.42 -4.62 1 21 ASN -1.58 -4.58 1 23 ASP 5.17 1.86 1 25 VAL 6.63 2.59 1 26 PHE 6.38 2.73 1 28 VAL 1.72 -0.51 1 29 PHE 6.17 2.66 1 31 LEU 2.12 -1.40 1 32 TYR 0.43 -1.12 1 34 ASN 1.73 -2.24 1 36 GLU -0.37 -2.93 1 38 VAL -4.01 -3.51 1 39 LYS -5.82 -3.18 1 40 PHE 1.59 -0.90 1 41 MET -1.50 -3.14 1 42 LYS 2.61 0.26 1 43 SER 0.31 -1.66 1 44 LYS -2.22 -4.37 1 47 ALA -7.50 -5.75 1 48 ALA -3.82 -4.81 1 49 MET -4.42 -4.00 1 50 VAL -3.05 -4.27 1 52 MET -3.03 -5.48 1 53 ALA 1.35 -0.07 1 54 ASP -3.21 -4.16 1 56 TYR 5.33 0.69 1 57 ALA 1.75 -0.33 1 59 ASP 3.93 0.85 1 60 ARG 2.87 1.92 1 61 ALA 3.78 0.09 1 62 ILE 5.60 2.56 1 63 THR 5.27 2.02 1 64 HIS 3.31 1.32 1 65 LEU -0.97 -2.68 1 66 ASN 2.54 0.24 1 67 ASN 4.42 -0.55 1 68 ASN -1.84 -2.14 1 69 PHE -1.94 -2.55 1 70 MET -2.65 -1.59 1 71 PHE 4.63 -1.31 1 73 GLN -4.58 -4.16 1 74 LYS 0.39 -2.67 1 75 MET -2.47 -2.95 1 76 ASN -5.31 -3.62 1 77 VAL -3.66 -4.52 1 79 VAL 2.30 -0.92 1 80 SER -2.77 -4.54 1 81 LYS 1.19 -1.91 1 82 GLN -0.23 -4.10 1 84 ALA -3.80 -3.82 1 85 ILE 0.79 -2.35 1 86 MET -0.86 -3.75 1 89 GLN -0.02 -2.58 1 90 SER -2.02 -2.89 1 91 TYR -3.38 -4.55 1 93 LEU 0.39 -3.60 1 94 GLU 3.90 0.66 1 95 ASP -0.04 -3.68 1 99 SER 4.25 0.04 1 100 TYR -6.40 -4.69 1 101 LYS -3.06 -1.86 1 102 ASP -2.70 -4.45 1 103 PHE -1.08 -1.97 1 104 SER 5.11 1.79 1 105 GLU -0.92 -4.13 1 106 SER 5.81 -1.55 1 108 ASN 0.05 -2.88 1 109 ASN 1.78 -1.00 1 111 PHE -0.22 -4.93 1 112 SER 4.42 1.04 1 113 THR -1.98 -4.55 1 115 GLU 4.32 0.51 1 116 GLN 3.26 0.02 1 117 ALA 2.42 -0.45 1 118 ALA 1.68 -1.50 1 119 LYS 1.16 -2.05 1 120 ASN -0.55 -1.56 1 122 ILE 0.93 -4.21 1 126 SER -4.65 -5.38 1 127 ASN 6.76 1.86 1 128 VAL -1.89 -3.76 1 129 LEU -4.07 -5.34 1 130 HIS -3.46 -4.29 1 131 PHE -8.34 -6.99 1 132 PHE -1.50 -4.95 1 133 ASN 0.76 -1.01 1 134 ALA -2.13 -4.39 1 137 GLU 2.37 -2.85 1 138 VAL -0.37 -3.36 1 139 THR -6.11 -5.48 1 140 GLU 4.49 0.63 1 141 GLU 4.27 0.44 1 142 ASN 3.77 0.89 1 143 PHE 5.97 2.01 1 144 PHE 4.27 -2.16 1 145 GLU 3.34 0.21 1 146 ILE 4.66 1.27 1 148 ASP 4.34 0.02 1 149 GLU 3.03 0.20 1 150 LEU -1.27 -2.60 1 152 VAL -3.71 -6.19 1 153 LYS 0.80 -1.89 1 156 THR 2.44 -1.15 1 157 SER -1.87 -2.97 1 158 VAL -3.36 -3.81 1 159 LYS -4.42 -4.53 1 160 VAL 0.11 -2.83 1 161 PHE -0.88 -6.02 1 162 SER 0.22 -2.38 1 164 LYS 0.81 -2.33 1 165 SER -0.75 -3.32 1 166 GLU -0.15 -2.33 1 167 ARG -0.59 -2.17 1 168 SER -1.15 -3.67 1 169 SER -3.49 -3.38 1 170 SER -4.63 -4.47 1 174 GLU -5.69 -4.46 1 175 TRP -3.29 -0.91 1 176 ASP 1.84 -0.52 1 177 SER -5.35 -5.04 1 179 SER 5.27 1.11 1 180 ASP 3.00 0.07 1 181 ALA 2.25 -0.55 1 182 LEU 3.54 0.56 1 183 GLU 2.90 -0.40 1 184 THR 8.51 2.97 1 185 LEU 4.41 1.17 1 187 PHE 0.53 -0.36 1 188 LEU -1.61 -2.23 1 189 ASN 2.54 -2.35 1 190 HIS 8.25 1.61 1 191 TYR 0.88 -0.58 1 192 GLN 0.04 -3.93 1 193 MET -1.99 -2.33 1 194 LYS 1.28 -1.64 1 195 ASN -3.95 -5.04 1 197 ASN -1.67 -3.08 1 200 TYR -1.27 -3.89 1 202 TYR -0.30 -2.42 1 203 THR 1.40 -2.36 1 204 LEU 0.30 -1.51 1 205 LYS -2.86 -4.53 1 206 LEU -8.02 -5.80 1 208 PHE 1.91 -0.10 1 209 SER -2.83 -4.61 1 210 THR 0.87 -2.36 1 211 ALA -0.33 -2.61 1 212 GLN 0.61 -1.69 1 214 ALA -0.72 -3.49 1 215 SER 0.19 -1.43 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25043_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.34 _LACS_plot.Line_1_terminator_val_y_1 2.27 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -3.83 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.94 _LACS_plot.Line_2_terminator_val_x_2 8.50 _LACS_plot.Line_2_terminator_val_y_2 -4.67 _LACS_plot.Y_axis_chem_shift_offset 2.56 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 37 LYS -8.24 4.78 0 10 LEU -5.64 0.40 1 12 VAL -4.29 -1.60 1 13 TYR -5.10 0.46 1 15 LEU -1.65 -2.59 1 16 ASP 0.17 -1.52 1 17 GLN 2.42 -2.73 1 18 SER 1.59 -2.58 1 19 LYS -2.66 0.28 1 20 MET -1.42 -3.20 1 21 ASN -1.58 -3.00 1 23 ASP 5.17 -3.31 1 25 VAL 6.63 -4.04 1 26 PHE 6.38 -3.65 1 28 VAL 1.72 -2.23 1 29 PHE 6.17 -3.51 1 31 LEU 2.12 -3.52 1 32 TYR 0.43 -1.55 1 34 ASN 1.73 -3.97 1 36 GLU -0.37 -2.56 1 38 VAL -4.01 0.50 1 39 LYS -5.82 2.64 1 40 PHE 1.59 -2.49 1 41 MET -1.50 -1.64 1 42 LYS 2.61 -2.35 1 43 SER 0.31 -1.97 1 44 LYS -2.22 -2.15 1 47 ALA -7.50 1.75 1 48 ALA -3.82 -0.99 1 49 MET -4.42 0.42 1 50 VAL -3.05 -1.22 1 52 MET -3.03 -2.45 1 53 ALA 1.35 -1.42 1 54 ASP -3.21 -0.95 1 56 TYR 5.33 -4.64 1 57 ALA 1.75 -2.08 1 59 ASP 3.93 -3.08 1 60 ARG 2.87 -0.95 1 61 ALA 3.78 -3.69 1 62 ILE 5.60 -3.04 1 63 THR 5.27 -3.25 1 64 HIS 3.31 -1.99 1 65 LEU -0.97 -1.71 1 66 ASN 2.54 -2.30 1 67 ASN 4.42 -4.97 1 68 ASN -1.84 -0.30 1 69 PHE -1.94 -0.61 1 70 MET -2.65 1.06 1 71 PHE 4.63 -5.94 1 73 GLN -4.58 0.42 1 74 LYS 0.39 -3.06 1 75 MET -2.47 -0.48 1 76 ASN -5.31 1.69 1 77 VAL -3.66 -0.86 1 79 VAL 2.30 -3.22 1 80 SER -2.77 -1.77 1 81 LYS 1.19 -3.10 1 82 GLN -0.23 -3.87 1 84 ALA -3.80 -0.02 1 85 ILE 0.79 -3.14 1 86 MET -0.86 -2.89 1 89 GLN -0.02 -2.56 1 90 SER -2.02 -0.87 1 91 TYR -3.38 -1.17 1 93 LEU 0.39 -3.99 1 94 GLU 3.90 -3.24 1 95 ASP -0.04 -3.64 1 99 SER 4.25 -4.21 1 100 TYR -6.40 1.71 1 101 LYS -3.06 1.20 1 102 ASP -2.70 -1.75 1 103 PHE -1.08 -0.89 1 104 SER 5.11 -3.32 1 105 GLU -0.92 -3.21 1 106 SER 5.81 -7.36 1 108 ASN 0.05 -2.93 1 109 ASN 1.78 -2.78 1 111 PHE -0.22 -4.71 1 112 SER 4.42 -3.38 1 113 THR -1.98 -2.57 1 115 GLU 4.32 -3.81 1 116 GLN 3.26 -3.24 1 117 ALA 2.42 -2.87 1 118 ALA 1.68 -3.18 1 119 LYS 1.16 -3.21 1 120 ASN -0.55 -1.01 1 122 ILE 0.93 -5.14 1 126 SER -4.65 -0.73 1 127 ASN 6.76 -4.90 1 128 VAL -1.89 -1.87 1 129 LEU -4.07 -1.27 1 130 HIS -3.46 -0.83 1 131 PHE -8.34 1.35 1 132 PHE -1.50 -3.45 1 133 ASN 0.76 -1.77 1 134 ALA -2.13 -2.26 1 137 GLU 2.37 -5.22 1 138 VAL -0.37 -2.99 1 139 THR -6.11 0.63 1 140 GLU 4.49 -3.86 1 141 GLU 4.27 -3.83 1 142 ASN 3.77 -2.88 1 143 PHE 5.97 -3.96 1 144 PHE 4.27 -6.43 1 145 GLU 3.34 -3.13 1 146 ILE 4.66 -3.39 1 148 ASP 4.34 -4.32 1 149 GLU 3.03 -2.83 1 150 LEU -1.27 -1.33 1 152 VAL -3.71 -2.48 1 153 LYS 0.80 -2.69 1 156 THR 2.44 -3.59 1 157 SER -1.87 -1.10 1 158 VAL -3.36 -0.45 1 159 LYS -4.42 -0.11 1 160 VAL 0.11 -2.94 1 161 PHE -0.88 -5.14 1 162 SER 0.22 -2.60 1 164 LYS 0.81 -3.14 1 165 SER -0.75 -2.57 1 166 GLU -0.15 -2.18 1 167 ARG -0.59 -1.58 1 168 SER -1.15 -2.52 1 169 SER -3.49 0.11 1 170 SER -4.63 0.16 1 174 GLU -5.69 1.23 1 175 TRP -3.29 2.38 1 176 ASP 1.84 -2.36 1 177 SER -5.35 0.31 1 179 SER 5.27 -4.16 1 180 ASP 3.00 -2.93 1 181 ALA 2.25 -2.80 1 182 LEU 3.54 -2.98 1 183 GLU 2.90 -3.30 1 184 THR 8.51 -5.54 1 185 LEU 4.41 -3.24 1 187 PHE 0.53 -0.89 1 188 LEU -1.61 -0.62 1 189 ASN 2.54 -4.89 1 190 HIS 8.25 -6.64 1 191 TYR 0.88 -1.46 1 192 GLN 0.04 -3.97 1 193 MET -1.99 -0.34 1 194 LYS 1.28 -2.92 1 195 ASN -3.95 -1.09 1 197 ASN -1.67 -1.41 1 200 TYR -1.27 -2.62 1 202 TYR -0.30 -2.12 1 203 THR 1.40 -3.76 1 204 LEU 0.30 -1.81 1 205 LYS -2.86 -1.67 1 206 LEU -8.02 2.22 1 208 PHE 1.91 -2.01 1 209 SER -2.83 -1.78 1 210 THR 0.87 -3.23 1 211 ALA -0.33 -2.28 1 212 GLN 0.61 -2.30 1 214 ALA -0.72 -2.77 1 215 SER 0.19 -1.62 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25043_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -8.34 _LACS_plot.Line_1_terminator_val_y_1 1.03 _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 0.24 _LACS_plot.Line_2_terminator_val_x_2 8.50 _LACS_plot.Line_2_terminator_val_y_2 -0.83 _LACS_plot.Y_axis_chem_shift_offset -0.04 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 181 ALA 2.25 -1.44 0 10 LEU -5.64 0.62 1 12 VAL -4.29 0.89 1 13 TYR -5.10 0.49 1 15 LEU -1.65 0.11 1 16 ASP 0.17 -0.20 1 17 GLN 2.42 -0.14 1 18 SER 1.59 0.01 1 19 LYS -2.66 0.06 1 20 MET -1.42 0.43 1 21 ASN -1.58 -0.63 1 23 ASP 5.17 -0.04 1 25 VAL 6.63 -0.38 1 26 PHE 6.38 -1.10 1 28 VAL 1.72 -0.09 1 29 PHE 6.17 -0.63 1 31 LEU 2.12 -0.28 1 32 TYR 0.43 -0.11 1 34 ASN 1.73 0.00 1 36 GLU -0.37 0.17 1 37 LYS -8.24 1.13 1 38 VAL -4.01 0.53 1 39 LYS -5.82 1.24 1 40 PHE 1.59 -0.03 1 41 MET -1.50 0.43 1 42 LYS 2.61 -0.65 1 43 SER 0.31 -0.27 1 44 LYS -2.22 0.25 1 47 ALA -7.50 1.53 1 48 ALA -3.82 0.24 1 49 MET -4.42 0.56 1 50 VAL -3.05 0.34 1 52 MET -3.03 0.92 1 53 ALA 1.35 -0.23 1 54 ASP -3.21 0.00 1 56 TYR 5.33 -0.05 1 57 ALA 1.75 -0.21 1 59 ASP 3.93 -0.28 1 60 ARG 2.87 -0.10 1 61 ALA 3.78 -1.07 1 62 ILE 5.60 -0.83 1 63 THR 5.27 -0.63 1 64 HIS 3.31 -0.12 1 65 LEU -0.97 0.06 1 66 ASN 2.54 -0.36 1 67 ASN 4.42 -0.53 1 68 ASN -1.84 0.16 1 69 PHE -1.94 0.49 1 70 MET -2.65 -0.16 1 71 PHE 4.63 -0.31 1 73 GLN -4.58 0.48 1 74 LYS 0.39 -0.74 1 75 MET -2.47 0.70 1 76 ASN -5.31 0.96 1 77 VAL -3.66 1.14 1 79 VAL 2.30 -0.22 1 80 SER -2.77 0.61 1 81 LYS 1.19 -0.05 1 82 GLN -0.23 -0.13 1 84 ALA -3.80 -0.34 1 85 ILE 0.79 0.36 1 86 MET -0.86 0.27 1 89 GLN -0.02 0.09 1 90 SER -2.02 0.13 1 91 TYR -3.38 0.50 1 93 LEU 0.39 0.05 1 94 GLU 3.90 -0.30 1 95 ASP -0.04 -0.09 1 99 SER 4.25 -0.74 1 100 TYR -6.40 1.18 1 101 LYS -3.06 -0.47 1 102 ASP -2.70 0.19 1 103 PHE -1.08 -0.16 1 104 SER 5.11 -0.31 1 105 GLU -0.92 0.26 1 106 SER 5.81 -0.41 1 108 ASN 0.05 0.14 1 109 ASN 1.78 0.57 1 111 PHE -0.22 -0.04 1 112 SER 4.42 -0.17 1 113 THR -1.98 0.34 1 115 GLU 4.32 -0.33 1 116 GLN 3.26 -0.37 1 117 ALA 2.42 -0.76 1 118 ALA 1.68 -0.16 1 119 LYS 1.16 -0.42 1 120 ASN -0.55 -0.21 1 122 ILE 0.93 -0.35 1 126 SER -4.65 0.34 1 127 ASN 6.76 -0.48 1 128 VAL -1.89 1.17 1 129 LEU -4.07 1.10 1 130 HIS -3.46 0.83 1 131 PHE -8.34 1.42 1 132 PHE -1.50 0.26 1 133 ASN 0.76 -0.53 1 134 ALA -2.13 -0.07 1 137 GLU 2.37 -0.25 1 138 VAL -0.37 -0.07 1 139 THR -6.11 0.38 1 140 GLU 4.49 -0.65 1 141 GLU 4.27 -0.60 1 142 ASN 3.77 -0.30 1 143 PHE 5.97 -0.55 1 144 PHE 4.27 -0.20 1 145 GLU 3.34 -0.21 1 146 ILE 4.66 -0.36 1 148 ASP 4.34 -0.24 1 149 GLU 3.03 -0.21 1 150 LEU -1.27 0.07 1 152 VAL -3.71 0.39 1 153 LYS 0.80 -0.23 1 156 THR 2.44 -0.39 1 157 SER -1.87 0.19 1 158 VAL -3.36 0.39 1 159 LYS -4.42 0.41 1 160 VAL 0.11 0.17 1 161 PHE -0.88 0.45 1 162 SER 0.22 0.20 1 164 LYS 0.81 0.14 1 165 SER -0.75 0.20 1 166 GLU -0.15 0.16 1 167 ARG -0.59 0.32 1 168 SER -1.15 0.28 1 169 SER -3.49 0.62 1 170 SER -4.63 -0.02 1 174 GLU -5.69 1.00 1 175 TRP -3.29 0.24 1 176 ASP 1.84 0.12 1 177 SER -5.35 0.57 1 179 SER 5.27 -0.17 1 180 ASP 3.00 -0.55 1 182 LEU 3.54 -0.23 1 183 GLU 2.90 -0.92 1 184 THR 8.51 -0.68 1 185 LEU 4.41 -0.78 1 187 PHE 0.53 -0.05 1 188 LEU -1.61 -0.01 1 189 ASN 2.54 -0.72 1 190 HIS 8.25 -0.41 1 191 TYR 0.88 -0.48 1 192 GLN 0.04 0.34 1 193 MET -1.99 0.08 1 194 LYS 1.28 -0.38 1 195 ASN -3.95 0.02 1 197 ASN -1.67 0.25 1 200 TYR -1.27 0.33 1 202 TYR -0.30 0.06 1 203 THR 1.40 -0.12 1 204 LEU 0.30 -0.44 1 205 LYS -2.86 0.07 1 206 LEU -8.02 1.36 1 208 PHE 1.91 0.45 1 209 SER -2.83 1.10 1 210 THR 0.87 0.10 1 211 ALA -0.33 -0.02 1 212 GLN 0.61 -0.17 1 214 ALA -0.72 0.13 1 215 SER 0.19 -0.21 1 stop_ save_