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 bmr4388_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.35 _LACS_plot.Line_1_terminator_val_y_1 -2.76 _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 -1.73 _LACS_plot.Line_2_terminator_val_x_2 7.79 _LACS_plot.Line_2_terminator_val_y_2 5.55 _LACS_plot.Y_axis_chem_shift_offset 0.25 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 158 THR -4.33 1.21 0 10 THR 6.71 4.84 1 11 LEU 3.60 2.34 1 12 GLU 3.84 3.07 1 13 TRP 1.85 2.14 1 14 PHE 3.14 2.40 1 15 LEU 4.76 2.68 1 16 SER 3.48 2.48 1 17 HIS -0.02 1.85 1 19 HIS -2.08 -0.47 1 20 ILE 0.98 -0.97 1 21 HIS -4.90 -1.05 1 22 LYS -0.79 -0.85 1 23 TYR -2.79 -0.60 1 25 SER 2.51 1.87 1 26 LYS 6.41 2.94 1 27 SER 0.20 1.01 1 28 THR 2.88 1.77 1 29 LEU 2.20 2.59 1 30 ILE -4.57 -0.89 1 31 HIS -1.99 -0.64 1 32 GLN 3.51 1.14 1 34 GLU -1.73 -1.13 1 35 LYS 1.70 0.58 1 36 ALA -0.06 -0.03 1 37 GLU 0.37 -0.28 1 38 THR -0.39 -0.29 1 39 LEU -3.95 -0.56 1 43 VAL 3.04 2.21 1 44 LYS -3.90 -0.09 1 46 SER -4.04 -1.47 1 47 VAL -5.16 -3.55 1 48 ALA -5.19 -2.36 1 49 VAL 0.54 -0.68 1 50 LEU -4.52 -2.16 1 51 ILE -3.85 -1.54 1 52 LYS -3.63 -1.59 1 53 ASP -2.41 -2.01 1 54 GLU 3.27 2.09 1 55 GLU -0.86 -0.98 1 57 LYS 0.70 -0.57 1 58 GLU -1.69 -0.65 1 59 MET -2.95 -1.02 1 60 ILE 1.42 -0.05 1 61 LEU 0.57 0.78 1 62 SER -2.74 -0.98 1 63 TYR -2.66 -1.01 1 64 LEU -3.03 -1.63 1 65 ASN -6.07 -1.26 1 66 GLN 2.43 1.05 1 68 ASP -1.61 -0.42 1 69 PHE -2.25 -0.87 1 70 ILE -2.41 -0.50 1 72 GLU 3.66 2.72 1 73 LEU 5.76 3.04 1 75 LEU 1.94 0.72 1 76 PHE -0.20 0.21 1 77 GLU -2.13 -1.57 1 78 GLU 0.32 0.34 1 80 GLN -0.13 -0.12 1 81 GLU -2.49 -1.45 1 82 ARG 0.18 -1.05 1 83 SER 0.35 0.85 1 84 ALA -3.89 -1.21 1 85 TRP -2.07 -0.52 1 86 VAL -1.92 -1.20 1 87 ARG -6.16 -2.43 1 88 ALA 1.36 0.93 1 89 LYS 1.35 1.01 1 90 THR -4.99 -2.61 1 91 ALA 2.93 1.24 1 93 GLU -3.10 -1.11 1 94 VAL -4.62 -1.96 1 95 ALA -4.18 -2.14 1 96 GLU -5.34 -2.13 1 97 ILE -3.22 -1.76 1 98 SER -0.68 -0.44 1 99 TYR 2.70 0.17 1 100 LYS 4.35 3.58 1 101 LYS 3.50 1.94 1 102 PHE 5.23 4.98 1 103 ARG 4.96 3.69 1 104 GLN 4.03 2.54 1 105 LEU 4.93 2.58 1 106 ILE 4.42 3.24 1 107 GLN 2.63 1.25 1 108 VAL 2.30 1.57 1 109 ASN -0.89 -1.17 1 111 ASP 3.34 2.97 1 112 ILE 0.73 -0.24 1 113 LEU -1.00 1.18 1 114 MET 5.25 2.84 1 115 ARG 4.01 2.09 1 116 LEU 3.97 3.10 1 118 ALA 3.56 2.41 1 119 GLN 5.27 3.05 1 120 MET 3.77 4.60 1 121 ALA 3.21 2.36 1 122 ARG 4.50 3.05 1 123 ARG 3.49 2.62 1 124 LEU 2.04 1.56 1 125 GLN 3.50 2.44 1 126 VAL 2.97 1.78 1 127 THR 2.10 1.74 1 128 SER 1.39 1.36 1 129 GLU 0.66 0.18 1 130 LYS 0.06 -0.45 1 131 VAL 0.69 0.08 1 133 ASN -1.22 -1.19 1 134 LEU 4.90 3.50 1 135 ALA 3.88 2.36 1 136 PHE 1.37 3.01 1 137 LEU 1.91 0.10 1 138 ASP 3.02 2.64 1 139 VAL 6.84 4.82 1 140 THR 4.51 3.54 1 142 ARG 7.80 5.46 1 143 ILE 4.24 3.69 1 144 ALA 3.73 3.29 1 145 GLN 6.89 5.37 1 146 THR 4.91 3.13 1 147 LEU 3.64 2.69 1 148 LEU 3.43 2.83 1 149 ASN 3.79 2.73 1 150 LEU 2.95 1.29 1 151 ALA -0.49 -0.84 1 152 LYS 1.28 0.43 1 153 GLN 0.42 -0.74 1 155 ASP 0.06 0.29 1 156 ALA -3.70 -1.39 1 157 MET 2.57 2.12 1 159 HIS -1.47 -0.19 1 161 ASP -3.39 -2.85 1 163 MET -4.02 -1.62 1 164 GLN -4.31 -2.13 1 165 ILE -0.71 -1.25 1 166 LYS -1.54 -1.33 1 167 ILE -4.10 -1.88 1 168 THR 5.09 3.77 1 169 ARG 4.50 2.95 1 170 GLN 2.77 2.56 1 171 GLU 6.52 4.78 1 172 ILE 3.62 2.41 1 174 GLN 3.93 3.79 1 175 ILE 0.77 -0.08 1 176 VAL -2.41 -0.90 1 179 SER 6.55 4.60 1 183 VAL 4.28 3.45 1 185 ARG 5.70 4.09 1 186 ILE 5.65 3.13 1 187 LEU 4.45 2.66 1 188 LYS 4.39 3.78 1 189 MET 4.14 2.58 1 190 LEU 2.46 2.24 1 191 GLU 4.18 2.89 1 192 ASP 0.36 -0.28 1 193 GLN 2.91 1.32 1 194 ASN -0.37 0.71 1 195 LEU -7.35 -3.43 1 196 ILE -1.90 -0.66 1 197 SER -2.52 -1.31 1 198 ALA -1.11 -0.24 1 199 HIS 0.67 0.09 1 201 LYS -2.94 -1.35 1 202 THR -3.32 -1.02 1 203 ILE -0.15 -1.22 1 204 VAL 0.10 -1.12 1 205 VAL 0.55 -1.13 1 206 TYR -0.53 -0.43 1 208 THR 0.84 1.26 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr4388_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.35 _LACS_plot.Line_1_terminator_val_y_1 4.59 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.59 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.27 _LACS_plot.Line_2_terminator_val_x_2 7.79 _LACS_plot.Line_2_terminator_val_y_2 -2.24 _LACS_plot.Y_axis_chem_shift_offset 0.25 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 158 THR -4.33 5.54 0 10 THR 6.71 -1.87 1 11 LEU 3.60 -1.26 1 12 GLU 3.84 -0.77 1 13 TRP 1.85 0.29 1 14 PHE 3.14 -0.74 1 15 LEU 4.76 -2.08 1 16 SER 3.48 -1.00 1 17 HIS -0.02 1.87 1 19 HIS -2.08 1.61 1 20 ILE 0.98 -1.95 1 21 HIS -4.90 3.85 1 22 LYS -0.79 -0.06 1 23 TYR -2.79 2.19 1 25 SER 2.51 -0.64 1 26 LYS 6.41 -3.47 1 27 SER 0.20 0.81 1 28 THR 2.88 -1.11 1 29 LEU 2.20 0.39 1 30 ILE -4.57 3.68 1 31 HIS -1.99 1.35 1 32 GLN 3.51 -2.37 1 34 GLU -1.73 0.60 1 35 LYS 1.70 -1.12 1 36 ALA -0.06 0.03 1 37 GLU 0.37 -0.65 1 38 THR -0.39 0.10 1 39 LEU -3.95 3.39 1 43 VAL 3.04 -0.83 1 44 LYS -3.90 3.81 1 46 SER -4.04 2.57 1 47 VAL -5.16 1.61 1 48 ALA -5.19 2.83 1 49 VAL 0.54 -1.22 1 50 LEU -4.52 2.36 1 51 ILE -3.85 2.31 1 52 LYS -3.63 2.04 1 53 ASP -2.41 0.40 1 54 GLU 3.27 -1.18 1 55 GLU -0.86 -0.12 1 57 LYS 0.70 -1.27 1 58 GLU -1.69 1.04 1 59 MET -2.95 1.93 1 60 ILE 1.42 -1.47 1 61 LEU 0.57 0.21 1 62 SER -2.74 1.76 1 63 TYR -2.66 1.65 1 64 LEU -3.03 1.40 1 65 ASN -6.07 4.81 1 66 GLN 2.43 -1.38 1 68 ASP -1.61 1.19 1 69 PHE -2.25 1.38 1 70 ILE -2.41 1.91 1 72 GLU 3.66 -0.94 1 73 LEU 5.76 -2.72 1 75 LEU 1.94 -1.22 1 76 PHE -0.20 0.41 1 77 GLU -2.13 0.56 1 78 GLU 0.32 0.02 1 80 GLN -0.13 0.01 1 81 GLU -2.49 1.04 1 82 ARG 0.18 -1.23 1 83 SER 0.35 0.50 1 84 ALA -3.89 2.68 1 85 TRP -2.07 1.55 1 86 VAL -1.92 0.72 1 87 ARG -6.16 3.73 1 88 ALA 1.36 -0.43 1 89 LYS 1.35 -0.34 1 90 THR -4.99 2.38 1 91 ALA 2.93 -1.69 1 93 GLU -3.10 1.99 1 94 VAL -4.62 2.66 1 95 ALA -4.18 2.04 1 96 GLU -5.34 3.21 1 97 ILE -3.22 1.46 1 98 SER -0.68 0.24 1 99 TYR 2.70 -2.53 1 100 LYS 4.35 -0.77 1 101 LYS 3.50 -1.56 1 102 PHE 5.23 -0.25 1 103 ARG 4.96 -1.27 1 104 GLN 4.03 -1.49 1 105 LEU 4.93 -2.35 1 106 ILE 4.42 -1.18 1 107 GLN 2.63 -1.38 1 108 VAL 2.30 -0.73 1 109 ASN -0.89 -0.28 1 111 ASP 3.34 -0.37 1 112 ILE 0.73 -0.97 1 113 LEU -1.00 2.18 1 114 MET 5.25 -2.41 1 115 ARG 4.01 -1.92 1 116 LEU 3.97 -0.87 1 118 ALA 3.56 -1.15 1 119 GLN 5.27 -2.22 1 120 MET 3.77 0.83 1 121 ALA 3.21 -0.85 1 122 ARG 4.50 -1.45 1 123 ARG 3.49 -0.87 1 124 LEU 2.04 -0.48 1 125 GLN 3.50 -1.06 1 126 VAL 2.97 -1.19 1 127 THR 2.10 -0.36 1 128 SER 1.39 -0.03 1 129 GLU 0.66 -0.48 1 130 LYS 0.06 -0.51 1 131 VAL 0.69 -0.61 1 133 ASN -1.22 0.03 1 134 LEU 4.90 -1.40 1 135 ALA 3.88 -1.52 1 136 PHE 1.37 1.64 1 137 LEU 1.91 -1.81 1 138 ASP 3.02 -0.38 1 139 VAL 6.84 -2.02 1 140 THR 4.51 -0.97 1 142 ARG 7.80 -2.34 1 143 ILE 4.24 -0.55 1 144 ALA 3.73 -0.44 1 145 GLN 6.89 -1.52 1 146 THR 4.91 -1.78 1 147 LEU 3.64 -0.95 1 148 LEU 3.43 -0.60 1 149 ASN 3.79 -1.06 1 150 LEU 2.95 -1.66 1 151 ALA -0.49 -0.35 1 152 LYS 1.28 -0.85 1 153 GLN 0.42 -1.16 1 155 ASP 0.06 0.23 1 156 ALA -3.70 2.31 1 157 MET 2.57 -0.45 1 159 HIS -1.47 1.28 1 161 ASP -3.39 0.54 1 163 MET -4.02 2.40 1 164 GLN -4.31 2.18 1 165 ILE -0.71 -0.54 1 166 LYS -1.54 0.21 1 167 ILE -4.10 2.22 1 168 THR 5.09 -1.32 1 169 ARG 4.50 -1.55 1 170 GLN 2.77 -0.21 1 171 GLU 6.52 -1.74 1 172 ILE 3.62 -1.21 1 174 GLN 3.93 -0.14 1 175 ILE 0.77 -0.85 1 176 VAL -2.41 1.51 1 179 SER 6.55 -1.95 1 183 VAL 4.28 -0.83 1 185 ARG 5.70 -1.61 1 186 ILE 5.65 -2.52 1 187 LEU 4.45 -1.79 1 188 LYS 4.39 -0.61 1 189 MET 4.14 -1.56 1 190 LEU 2.46 -0.22 1 191 GLU 4.18 -1.29 1 192 ASP 0.36 -0.64 1 193 GLN 2.91 -1.59 1 194 ASN -0.37 1.08 1 195 LEU -7.35 3.92 1 196 ILE -1.90 1.24 1 197 SER -2.52 1.21 1 198 ALA -1.11 0.87 1 199 HIS 0.67 -0.58 1 201 LYS -2.94 1.59 1 202 THR -3.32 2.30 1 203 ILE -0.15 -1.07 1 204 VAL 0.10 -1.22 1 205 VAL 0.55 -1.68 1 206 TYR -0.53 0.10 1 208 THR 0.84 0.42 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr4388_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.35 _LACS_plot.Line_1_terminator_val_y_1 -2.86 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.76 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.82 _LACS_plot.Line_2_terminator_val_x_2 7.79 _LACS_plot.Line_2_terminator_val_y_2 2.86 _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 61 LEU 0.57 -4.91 0 10 THR 6.71 1.56 1 11 LEU 3.60 1.04 1 12 GLU 3.84 2.84 1 13 TRP 1.85 3.17 1 14 PHE 3.14 1.75 1 15 LEU 4.76 2.22 1 16 SER 3.48 -0.01 1 17 HIS -0.02 0.28 1 19 HIS -2.08 0.64 1 20 ILE 0.98 -1.10 1 21 HIS -4.90 -0.87 1 22 LYS -0.79 -0.92 1 25 SER 2.51 0.15 1 26 LYS 6.41 -0.82 1 27 SER 0.20 -0.79 1 28 THR 2.88 -1.09 1 29 LEU 2.20 -1.60 1 30 ILE -4.57 -2.05 1 31 HIS -1.99 -0.75 1 32 GLN 3.51 0.40 1 34 GLU -1.73 -0.60 1 35 LYS 1.70 0.05 1 37 GLU 0.37 -0.56 1 38 THR -0.39 0.98 1 43 VAL 3.04 0.54 1 44 LYS -3.90 -1.93 1 46 SER -4.04 -0.49 1 47 VAL -5.16 -3.40 1 48 ALA -5.19 -2.91 1 49 VAL 0.54 -0.62 1 50 LEU -4.52 -4.04 1 51 ILE -3.85 -1.66 1 52 LYS -3.63 0.11 1 53 ASP -2.41 1.92 1 54 GLU 3.27 1.07 1 55 GLU -0.86 0.11 1 57 LYS 0.70 -0.13 1 58 GLU -1.69 -0.30 1 59 MET -2.95 -2.19 1 60 ILE 1.42 -0.33 1 62 SER -2.74 -3.11 1 63 TYR -2.66 -0.37 1 64 LEU -3.03 -2.18 1 65 ASN -6.07 -1.85 1 66 GLN 2.43 0.15 1 68 ASP -1.61 3.70 1 69 PHE -2.25 0.00 1 70 ILE -2.41 0.00 1 72 GLU 3.66 0.13 1 73 LEU 5.76 2.09 1 75 LEU 1.94 -1.06 1 76 PHE -0.20 -0.79 1 77 GLU -2.13 -2.16 1 78 GLU 0.32 1.36 1 80 GLN -0.13 -0.35 1 81 GLU -2.49 0.62 1 82 ARG 0.18 1.99 1 83 SER 0.35 -1.30 1 84 ALA -3.89 -1.83 1 85 TRP -2.07 -0.39 1 86 VAL -1.92 -1.25 1 87 ARG -6.16 -1.60 1 88 ALA 1.36 0.04 1 89 LYS 1.35 0.16 1 90 THR -4.99 -0.92 1 91 ALA 2.93 2.30 1 93 GLU -3.10 -1.26 1 94 VAL -4.62 -2.87 1 95 ALA -4.18 -1.91 1 96 GLU -5.34 -1.61 1 97 ILE -3.22 -4.20 1 98 SER -0.68 1.19 1 99 TYR 2.70 2.64 1 100 LYS 4.35 2.32 1 101 LYS 3.50 2.71 1 102 PHE 5.23 1.11 1 103 ARG 4.96 2.40 1 104 GLN 4.03 3.08 1 105 LEU 4.93 1.96 1 106 ILE 4.42 -1.20 1 107 GLN 2.63 1.66 1 108 VAL 2.30 0.31 1 111 ASP 3.34 2.95 1 112 ILE 0.73 -0.12 1 113 LEU -1.00 1.47 1 114 MET 5.25 1.93 1 115 ARG 4.01 2.74 1 116 LEU 3.97 1.19 1 118 ALA 3.56 2.15 1 119 GLN 5.27 2.86 1 120 MET 3.77 1.10 1 121 ALA 3.21 1.87 1 122 ARG 4.50 2.79 1 123 ARG 3.49 2.99 1 124 LEU 2.04 1.32 1 125 GLN 3.50 1.84 1 126 VAL 2.97 0.39 1 127 THR 2.10 1.00 1 128 SER 1.39 0.20 1 129 GLU 0.66 -0.40 1 130 LYS 0.06 -0.57 1 131 VAL 0.69 -0.72 1 133 ASN -1.22 -0.01 1 134 LEU 4.90 0.97 1 135 ALA 3.88 2.31 1 136 PHE 1.37 0.02 1 138 ASP 3.02 1.11 1 139 VAL 6.84 1.27 1 140 THR 4.51 1.36 1 142 ARG 7.80 1.00 1 143 ILE 4.24 0.68 1 144 ALA 3.73 2.25 1 145 GLN 6.89 5.26 1 146 THR 4.91 0.65 1 147 LEU 3.64 1.96 1 148 LEU 3.43 3.19 1 149 ASN 3.79 0.79 1 150 LEU 2.95 -1.58 1 151 ALA -0.49 0.61 1 152 LYS 0.42 0.44 1 155 ASP 0.06 -0.86 1 156 ALA -3.70 -0.16 1 157 MET 2.57 -1.53 1 158 THR -1.47 0.77 1 161 ASP -3.39 -1.73 1 163 MET -4.02 -1.36 1 164 GLN -4.31 -2.05 1 165 ILE -0.71 -1.88 1 166 LYS -1.54 -4.38 1 167 ILE -4.10 1.54 1 168 THR 5.09 2.46 1 169 ARG 4.50 2.42 1 170 GLN 2.77 2.99 1 171 GLU 6.52 1.30 1 172 ILE 3.62 4.13 1 174 GLN 3.93 2.12 1 175 ILE 0.77 0.02 1 176 VAL 6.55 1.80 1 183 VAL 4.28 2.99 1 185 ARG 5.70 1.60 1 186 ILE 5.65 1.93 1 187 LEU 4.45 1.45 1 188 LYS 4.39 2.40 1 189 MET 4.14 1.80 1 190 LEU 2.46 4.74 1 191 GLU 4.18 1.82 1 192 ASP 0.36 -1.03 1 193 GLN 2.91 -0.91 1 194 ASN -0.37 0.25 1 195 LEU -7.35 -1.81 1 196 ILE -1.90 -1.15 1 197 SER -2.52 -2.00 1 198 ALA 0.67 -1.51 1 201 LYS -2.94 -0.89 1 202 THR -3.32 -1.69 1 203 ILE -0.15 -1.22 1 204 VAL 0.10 0.28 1 205 VAL 0.55 2.06 1 206 TYR -0.53 -1.53 1 stop_ save_