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 bmr5752_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.94 _LACS_plot.Line_1_terminator_val_y_1 -5.82 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -2.37 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -4.38 _LACS_plot.Line_2_terminator_val_x_2 9.28 _LACS_plot.Line_2_terminator_val_y_2 3.90 _LACS_plot.Y_axis_chem_shift_offset 3.02 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 163 ILE 5.05 -2.48 0 130 ILE 6.59 -1.36 0 50 TYR -6.45 -4.28 0 112 MET -6.94 -4.28 0 10 VAL -1.48 -4.08 1 11 VAL 0.48 -3.85 1 12 VAL 0.13 -3.58 1 14 ASP -1.67 -2.77 1 15 GLU -4.77 -6.66 1 16 SER 0.42 -2.25 1 17 ASN 2.44 -0.83 1 18 SER 3.89 -1.75 1 19 ILE 1.82 -2.87 1 20 TYR -3.43 -2.56 1 22 TRP 1.81 -1.23 1 23 ASP 3.65 -0.08 1 24 ALA 3.10 -0.67 1 25 VAL 6.64 0.85 1 26 LYS 7.40 1.96 1 27 ASN 3.94 -0.30 1 28 PHE 4.82 0.44 1 29 LEU 3.72 0.00 1 30 GLU 3.90 0.35 1 31 LYS 3.67 -1.00 1 32 PHE 2.96 -1.14 1 33 VAL 6.06 0.89 1 34 GLN 4.35 0.05 1 36 LEU -2.76 -4.47 1 37 ASP -0.26 -4.34 1 38 ILE -2.45 -6.10 1 41 THR 0.08 -3.87 1 42 LYS -0.48 -3.70 1 43 THR 3.02 -1.07 1 44 GLN -6.06 -4.33 1 45 VAL -4.08 -5.09 1 47 LEU -3.27 -4.01 1 48 ILE -4.70 -5.16 1 49 GLN -5.32 -5.53 1 51 ALA 4.99 0.46 1 52 ASN 6.26 0.78 1 53 ASN -3.09 -3.24 1 55 ARG -2.83 -4.75 1 56 VAL 2.37 -1.48 1 57 VAL 4.25 0.05 1 58 PHE -1.44 -3.67 1 59 ASN -3.71 -3.93 1 60 LEU 3.36 -0.01 1 61 ASN -1.40 -4.94 1 62 THR 6.51 2.83 1 63 TYR -1.56 -4.10 1 64 LYS 0.22 -2.10 1 65 THR -6.08 -6.01 1 66 LYS 4.33 0.35 1 67 GLU 6.22 1.56 1 68 GLU 1.20 -1.10 1 69 MET 2.73 0.20 1 70 ILE 5.16 0.47 1 71 VAL 6.38 1.35 1 72 ALA 2.98 0.11 1 73 THR 6.30 1.86 1 74 SER 2.61 -0.26 1 75 GLN -1.04 -3.74 1 76 THR 0.38 -2.46 1 77 SER -3.02 -3.74 1 78 GLN -0.60 -5.38 1 79 TYR 1.74 -2.19 1 82 ASP -0.52 -2.80 1 83 LEU -2.97 -4.61 1 84 THR -0.65 -4.53 1 85 ASN 1.84 -3.85 1 86 THR 3.38 0.33 1 87 PHE 9.29 4.28 1 89 ALA 4.20 0.08 1 90 ILE 5.32 1.67 1 91 GLN 3.09 -0.10 1 92 TYR 3.74 0.99 1 93 ALA 2.89 -0.81 1 94 ARG 5.99 1.09 1 95 LYS 3.72 0.43 1 96 TYR -0.44 -1.66 1 97 ALA 1.66 -0.65 1 98 TYR 0.02 -4.25 1 99 SER -1.50 -3.06 1 100 ALA 4.71 0.04 1 101 ALA 3.65 -0.54 1 102 SER -0.06 -2.59 1 105 ARG -1.13 -4.23 1 106 ARG 3.56 -0.02 1 107 SER 0.94 -2.21 1 108 ALA -1.76 -3.59 1 109 THR 2.08 -0.97 1 110 LYS 0.07 -2.32 1 111 VAL -4.66 -5.04 1 113 VAL -2.11 -4.16 1 114 VAL -1.25 -3.78 1 115 VAL -2.00 -4.39 1 116 THR 0.00 -3.95 1 117 ASP -6.09 -5.94 1 119 GLU 0.14 -2.72 1 120 SER 0.14 -1.56 1 121 HIS 2.59 1.39 1 122 ASP -0.14 -4.77 1 124 SER 3.76 -0.57 1 125 MET 0.36 -2.03 1 126 LEU 5.53 2.09 1 127 LYS 5.27 0.74 1 128 ALA 3.51 -0.54 1 129 VAL 4.98 1.06 1 131 ASP 5.28 0.85 1 132 GLN 4.89 0.66 1 134 ASN 4.46 -0.61 1 135 HIS 5.43 1.74 1 136 ASP 0.38 -2.73 1 137 ASN 3.44 -1.70 1 138 ILE -0.40 -2.94 1 139 LEU -0.24 -3.33 1 140 ARG -0.97 -4.27 1 141 PHE -2.91 -3.90 1 143 ILE -0.64 -4.01 1 144 ALA -2.67 -5.47 1 145 VAL 0.65 -3.89 1 146 LEU 3.13 -2.60 1 148 TYR 5.10 1.59 1 149 LEU 6.20 1.03 1 150 ASN 3.91 -0.26 1 151 ARG 4.12 1.16 1 152 ASN -0.65 -2.25 1 153 ALA 3.80 -2.26 1 154 LEU -2.97 -4.75 1 155 ASP 0.27 -1.59 1 156 THR -0.33 -2.69 1 157 LYS 5.83 1.43 1 158 ASN 4.84 -0.30 1 159 LEU 5.12 0.23 1 160 ILE 6.08 1.53 1 161 LYS 4.40 0.70 1 162 GLU 2.88 0.71 1 164 LYS 5.72 1.88 1 165 ALA 2.29 -1.34 1 166 ILE 1.65 -0.96 1 167 ALA 0.03 -2.98 1 168 SER 3.84 0.20 1 169 ILE -1.49 -4.21 1 171 THR 4.94 1.75 1 172 GLU 4.50 -0.09 1 173 ARG 0.98 -2.05 1 174 TYR -0.02 -1.52 1 175 PHE -4.07 -4.71 1 176 PHE -4.30 -4.87 1 177 ASN -4.07 -4.42 1 178 VAL -3.67 -5.65 1 179 SER 3.72 0.64 1 180 ASP -2.81 -3.84 1 181 GLU 6.60 2.36 1 182 ALA 4.04 -0.42 1 183 ALA 1.06 -2.22 1 184 LEU 4.50 0.02 1 185 LEU 5.08 0.95 1 186 GLU 2.21 -1.48 1 187 LYS 0.03 -4.85 1 188 ALA 3.67 0.73 1 190 THR 4.52 0.64 1 191 LEU 4.41 0.42 1 193 GLU 3.46 -0.16 1 194 GLN 3.19 -0.42 1 195 ILE 5.34 0.65 1 196 PHE 2.68 -0.73 1 197 SER 0.02 -2.51 1 198 ILE 2.92 -0.73 1 199 GLU -0.78 -3.15 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5752_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.94 _LACS_plot.Line_1_terminator_val_y_1 1.12 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -4.37 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -2.38 _LACS_plot.Line_2_terminator_val_x_2 9.28 _LACS_plot.Line_2_terminator_val_y_2 -5.38 _LACS_plot.Y_axis_chem_shift_offset 3.02 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 163 ILE 5.05 -7.53 0 130 ILE 6.59 -7.95 0 50 TYR -6.45 2.17 0 112 MET -6.94 2.66 0 10 VAL -1.48 -2.60 1 11 VAL 0.48 -4.33 1 12 VAL 0.13 -3.71 1 14 ASP -1.67 -1.10 1 15 GLU -4.77 -1.89 1 16 SER 0.42 -2.67 1 17 ASN 2.44 -3.27 1 18 SER 3.89 -5.64 1 19 ILE 1.82 -4.69 1 20 TYR -3.43 0.87 1 22 TRP 1.81 -3.04 1 23 ASP 3.65 -3.73 1 24 ALA 3.10 -3.77 1 25 VAL 6.64 -5.79 1 26 LYS 7.40 -5.44 1 27 ASN 3.94 -4.24 1 28 PHE 4.82 -4.38 1 29 LEU 3.72 -3.72 1 30 GLU 3.90 -3.55 1 31 LYS 3.67 -4.67 1 32 PHE 2.96 -4.10 1 33 VAL 6.06 -5.17 1 34 GLN 4.35 -4.30 1 36 LEU -2.76 -1.71 1 37 ASP -0.26 -4.08 1 38 ILE -2.45 -3.65 1 41 THR 0.08 -3.95 1 42 LYS -0.48 -3.22 1 43 THR 3.02 -4.09 1 44 GLN -6.06 1.73 1 45 VAL -4.08 -1.01 1 47 LEU -3.27 -0.74 1 48 ILE -4.70 -0.46 1 49 GLN -5.32 -0.21 1 51 ALA 4.99 -4.53 1 52 ASN 6.26 -5.48 1 53 ASN -3.09 -0.15 1 55 ARG -2.83 -1.92 1 56 VAL 2.37 -3.85 1 57 VAL 4.25 -4.20 1 58 PHE -1.44 -2.23 1 59 ASN -3.71 -0.22 1 60 LEU 3.36 -3.37 1 61 ASN -1.40 -3.54 1 62 THR 6.51 -3.68 1 63 TYR -1.56 -2.54 1 64 LYS 0.22 -2.32 1 65 THR -6.08 0.07 1 66 LYS 4.33 -3.98 1 67 GLU 6.22 -4.66 1 68 GLU 1.20 -2.30 1 69 MET 2.73 -2.53 1 70 ILE 5.16 -4.69 1 71 VAL 6.38 -5.03 1 72 ALA 2.98 -2.87 1 73 THR 6.30 -4.44 1 74 SER 2.61 -2.87 1 75 GLN -1.04 -2.70 1 76 THR 0.38 -2.84 1 77 SER -3.02 -0.72 1 78 GLN -0.60 -4.78 1 79 TYR 1.74 -3.93 1 82 ASP -0.52 -2.28 1 83 LEU -2.97 -1.64 1 84 THR -0.65 -3.88 1 85 ASN 1.84 -5.69 1 86 THR 3.38 -3.05 1 87 PHE 9.29 -5.01 1 89 ALA 4.20 -4.12 1 90 ILE 5.32 -3.65 1 91 GLN 3.09 -3.19 1 92 TYR 3.74 -2.75 1 93 ALA 2.89 -3.70 1 94 ARG 5.99 -4.90 1 95 LYS 3.72 -3.29 1 96 TYR -0.44 -1.22 1 97 ALA 1.66 -2.31 1 98 TYR 0.02 -4.27 1 99 SER -1.50 -1.56 1 100 ALA 4.71 -4.67 1 101 ALA 3.65 -4.19 1 102 SER -0.06 -2.53 1 105 ARG -1.13 -3.10 1 106 ARG 3.56 -3.58 1 107 SER 0.94 -3.15 1 108 ALA -1.76 -1.83 1 109 THR 2.08 -3.05 1 110 LYS 0.07 -2.39 1 111 VAL -4.66 -0.38 1 113 VAL -2.11 -2.05 1 114 VAL -1.25 -2.53 1 115 VAL -2.00 -2.39 1 116 THR 0.00 -3.95 1 117 ASP -6.09 0.15 1 119 GLU 0.14 -2.86 1 120 SER 0.14 -1.70 1 121 HIS 2.59 -1.20 1 122 ASP -0.14 -4.63 1 124 SER 3.76 -4.33 1 125 MET 0.36 -2.39 1 126 LEU 5.53 -3.44 1 127 LYS 5.27 -4.53 1 128 ALA 3.51 -4.05 1 129 VAL 4.98 -3.92 1 131 ASP 5.28 -4.43 1 132 GLN 4.89 -4.23 1 134 ASN 4.46 -5.07 1 135 HIS 5.43 -3.69 1 136 ASP 0.38 -3.11 1 137 ASN 3.44 -5.14 1 138 ILE -0.40 -2.54 1 139 LEU -0.24 -3.09 1 140 ARG -0.97 -3.30 1 141 PHE -2.91 -0.99 1 143 ILE -0.64 -3.37 1 144 ALA -2.67 -2.80 1 145 VAL 0.65 -4.54 1 146 LEU 3.13 -5.73 1 148 TYR 5.10 -3.51 1 149 LEU 6.20 -5.17 1 150 ASN 3.91 -4.17 1 151 ARG 4.12 -2.96 1 152 ASN -0.65 -1.60 1 153 ALA 3.80 -6.06 1 154 LEU -2.97 -1.78 1 155 ASP 0.27 -1.86 1 156 THR -0.33 -2.36 1 157 LYS 5.83 -4.40 1 158 ASN 4.84 -5.14 1 159 LEU 5.12 -4.89 1 160 ILE 6.08 -4.55 1 161 LYS 4.40 -3.70 1 162 GLU 2.88 -2.17 1 164 LYS 5.72 -3.84 1 165 ALA 2.29 -3.63 1 166 ILE 1.65 -2.61 1 167 ALA 0.03 -3.01 1 168 SER 3.84 -3.64 1 169 ILE -1.49 -2.72 1 171 THR 4.94 -3.19 1 172 GLU 4.50 -4.59 1 173 ARG 0.98 -3.03 1 174 TYR -0.02 -1.50 1 175 PHE -4.07 -0.64 1 176 PHE -4.30 -0.57 1 177 ASN -4.07 -0.35 1 178 VAL -3.67 -1.98 1 179 SER 3.72 -3.08 1 180 ASP -2.81 -1.03 1 181 GLU 6.60 -4.24 1 182 ALA 4.04 -4.46 1 183 ALA 1.06 -3.28 1 184 LEU 4.50 -4.48 1 185 LEU 5.08 -4.13 1 186 GLU 2.21 -3.69 1 187 LYS 0.03 -4.88 1 188 ALA 3.67 -2.94 1 190 THR 4.52 -3.88 1 191 LEU 4.41 -3.99 1 193 GLU 3.46 -3.62 1 194 GLN 3.19 -3.61 1 195 ILE 5.34 -4.69 1 196 PHE 2.68 -3.41 1 197 SER 0.02 -2.53 1 198 ILE 2.92 -3.65 1 199 GLU -0.78 -2.37 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5752_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.94 _LACS_plot.Line_1_terminator_val_y_1 2.34 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.44 _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 9.28 _LACS_plot.Line_2_terminator_val_y_2 -4.24 _LACS_plot.Y_axis_chem_shift_offset 0.56 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 112 MET -6.94 -0.82 0 87 PHE 9.29 0.20 0 10 VAL -1.48 1.42 1 11 VAL 0.48 -0.11 1 12 VAL 0.13 1.87 1 14 ASP -1.67 2.84 1 15 GLU -4.77 1.18 1 16 SER 0.42 1.12 1 17 ASN 2.44 1.26 1 18 SER 3.89 2.04 1 19 ILE 1.82 1.21 1 20 TYR -3.43 0.24 1 22 TRP 1.81 -2.12 1 23 ASP 3.65 -2.87 1 24 ALA 3.10 -3.46 1 25 VAL 6.64 -6.07 1 26 LYS 7.40 -3.29 1 27 ASN 3.94 -2.69 1 28 PHE 4.82 -2.41 1 29 LEU 3.72 -1.16 1 30 GLU 3.90 -3.43 1 31 LYS 3.67 -2.85 1 32 PHE 2.96 -3.28 1 33 VAL 6.06 -1.93 1 34 GLN 4.35 -2.59 1 36 LEU -2.76 0.00 1 37 ASP -0.26 -0.66 1 38 ILE -2.45 0.26 1 41 THR 0.08 2.17 1 42 LYS -0.48 1.56 1 43 THR 3.02 -0.27 1 44 GLN -6.06 2.57 1 45 VAL -4.08 0.69 1 47 LEU -3.27 2.85 1 48 ILE -4.70 1.61 1 49 GLN -5.32 -0.27 1 50 TYR -6.45 0.46 1 51 ALA 4.99 1.10 1 52 ASN 6.26 -0.71 1 53 ASN -3.09 2.55 1 55 ARG -2.83 -0.29 1 56 VAL 2.37 1.50 1 57 VAL 4.25 -1.80 1 58 PHE -1.44 -2.13 1 59 ASN -3.71 2.27 1 60 LEU 3.36 -2.60 1 61 ASN -1.40 -0.59 1 62 THR 6.51 -0.40 1 63 TYR -1.56 1.11 1 64 LYS 0.22 -0.59 1 65 THR -6.08 0.50 1 66 LYS 4.33 0.32 1 67 GLU 6.22 -2.81 1 68 GLU 1.20 -4.96 1 69 MET 2.73 -3.49 1 70 ILE 5.16 -3.23 1 71 VAL 6.38 -3.95 1 72 ALA 2.98 -5.85 1 73 THR 6.30 1.19 1 74 SER 2.61 0.72 1 75 GLN -1.04 0.05 1 76 THR 0.38 0.03 1 77 SER -3.02 2.40 1 78 GLN -0.60 4.38 1 79 TYR 1.74 -0.46 1 82 ASP -0.52 1.45 1 83 LEU -2.97 -2.60 1 84 THR -0.65 1.92 1 85 ASN 1.84 0.45 1 86 THR 3.38 0.15 1 89 ALA 4.20 -3.87 1 90 ILE 5.32 -3.62 1 91 GLN 3.09 -2.50 1 92 TYR 3.74 -1.87 1 93 ALA 2.89 -4.05 1 94 ARG 5.99 -4.32 1 95 LYS 3.72 -4.44 1 96 TYR -0.44 -2.51 1 97 ALA 1.66 -5.19 1 98 TYR 0.02 -1.03 1 99 SER -1.50 0.54 1 100 ALA 4.71 -2.18 1 101 ALA 3.65 -1.89 1 102 SER -0.06 -2.68 1 105 ARG -1.13 0.23 1 106 ARG 3.56 -2.38 1 107 SER 0.94 -1.04 1 108 ALA -1.76 -0.40 1 109 THR 2.08 -1.71 1 110 LYS 0.07 1.43 1 111 VAL -4.66 0.07 1 113 VAL -2.11 0.62 1 114 VAL -1.25 1.41 1 115 VAL -2.00 1.06 1 116 THR 0.00 2.19 1 117 ASP -6.09 3.82 1 119 GLU 0.14 4.17 1 120 SER 0.14 -0.77 1 121 HIS 2.59 -0.32 1 122 ASP -0.14 -0.79 1 124 SER 3.76 0.21 1 125 MET 0.36 -1.16 1 126 LEU 5.53 -0.56 1 127 LYS 5.27 -2.58 1 128 ALA 3.51 -5.07 1 129 VAL 4.98 -6.28 1 130 ILE 6.59 -4.27 1 131 ASP 5.28 -3.39 1 132 GLN 4.89 -4.86 1 134 ASN 4.46 -0.69 1 135 HIS 5.43 -2.67 1 136 ASP 0.38 -1.38 1 137 ASN 3.44 1.40 1 138 ILE -0.40 1.17 1 139 LEU -0.24 -2.81 1 140 ARG -0.97 -1.23 1 141 PHE -2.91 0.10 1 143 ILE -0.64 4.30 1 144 ALA -2.67 -0.33 1 145 VAL 0.65 0.02 1 146 LEU 3.13 -2.64 1 148 TYR 5.10 1.34 1 149 LEU 6.20 -5.50 1 150 ASN 3.91 -3.45 1 151 ARG 4.12 -5.51 1 152 ASN -0.65 -1.68 1 153 ALA 3.80 1.45 1 154 LEU -2.97 -2.34 1 155 ASP 0.27 -1.87 1 156 THR -0.33 -1.84 1 157 LYS 5.83 -0.83 1 158 ASN 4.84 -3.24 1 159 LEU 5.12 -4.87 1 160 ILE 6.08 -2.62 1 161 LYS 4.40 -2.31 1 162 GLU 2.88 -4.28 1 163 ILE 5.05 -2.32 1 164 LYS 5.72 -5.07 1 165 ALA 2.29 -4.25 1 166 ILE 1.65 -4.97 1 167 ALA 0.03 -1.76 1 168 SER 3.84 -1.17 1 169 ILE -1.49 -0.10 1 171 THR 4.94 -0.60 1 172 GLU 4.50 -0.91 1 173 ARG 0.98 -2.58 1 174 TYR -0.02 -0.33 1 175 PHE -4.07 1.58 1 176 PHE -4.30 1.61 1 177 ASN -4.07 3.93 1 178 VAL -3.67 0.86 1 179 SER 3.72 0.81 1 180 ASP -2.81 1.74 1 181 GLU 6.60 0.64 1 182 ALA 4.04 -5.23 1 183 ALA 1.06 -6.02 1 184 LEU 4.50 -5.32 1 185 LEU 5.08 -4.77 1 186 GLU 2.21 -4.43 1 187 LYS 0.03 -3.38 1 188 ALA 3.67 -3.48 1 190 THR 4.52 0.08 1 191 LEU 4.41 -2.60 1 193 GLU 3.46 -0.73 1 194 GLN 3.19 -4.71 1 195 ILE 5.34 -4.37 1 196 PHE 2.68 -1.44 1 197 SER 0.02 -0.26 1 198 ILE 2.92 0.22 1 199 GLU -0.78 -1.43 1 stop_ save_