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 bmr27920_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.46 _LACS_plot.Line_1_terminator_val_y_1 -4.07 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 0.46 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.86 _LACS_plot.Line_2_terminator_val_x_2 8.50 _LACS_plot.Line_2_terminator_val_y_2 5.54 _LACS_plot.Y_axis_chem_shift_offset 0.47 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 20 HIS 4.83 6.67 0 12 VAL 1.69 1.98 1 13 ILE 2.69 2.41 1 14 THR -0.09 -2.61 1 15 ASP -2.22 -0.44 1 16 THR 0.21 -0.93 1 17 ALA 4.61 3.74 1 18 GLU 3.31 1.82 1 19 TYR 4.55 2.97 1 21 PHE 4.68 2.53 1 22 ARG 4.33 3.28 1 23 ALA 4.08 2.80 1 24 TRP 1.61 1.84 1 25 LYS 5.00 3.39 1 26 ALA 3.57 1.66 1 27 LEU 2.73 1.93 1 28 ALA 4.34 2.54 1 29 GLU 3.77 2.15 1 30 GLU 3.43 2.29 1 31 ILE 1.76 -0.09 1 33 ILE 0.22 -0.23 1 34 ASN -1.08 -0.54 1 36 VAL 4.36 0.19 1 37 ASP -3.34 -2.55 1 38 ARG 5.65 3.18 1 39 GLN 4.90 2.74 1 40 PHE 4.14 3.41 1 41 ASN 2.63 2.96 1 42 GLU 3.35 2.06 1 43 GLN 2.50 0.64 1 47 VAL 0.21 -0.89 1 53 LEU 5.01 1.97 1 54 GLN 3.89 2.49 1 55 LYS 4.69 2.96 1 56 ILE 5.52 3.74 1 57 LEU 6.11 2.68 1 58 ASP 3.85 2.25 1 59 LEU 3.65 2.18 1 60 ALA -3.00 -2.15 1 61 ASP 2.52 0.82 1 62 LYS -1.06 -0.83 1 63 LYS -0.92 -1.74 1 64 VAL -5.46 -3.93 1 65 SER -2.26 -1.22 1 66 ALA 4.50 2.59 1 67 GLU 4.40 2.79 1 68 GLU 2.56 2.07 1 69 PHE 5.08 4.33 1 70 LYS 4.46 3.06 1 71 GLU 3.64 2.05 1 72 LEU 3.20 2.38 1 73 ALA 5.49 2.60 1 74 LYS 4.90 2.98 1 75 ARG 4.77 2.83 1 76 LYS 8.50 4.15 1 77 ASN 4.45 3.37 1 78 ASP 4.62 2.80 1 79 ASN 3.59 1.91 1 80 TYR 5.07 4.11 1 81 VAL 5.90 3.61 1 82 LYS 4.33 2.42 1 83 MET 4.04 2.75 1 84 ILE 5.40 2.32 1 85 GLN 4.03 2.02 1 86 ASP 0.31 0.03 1 87 VAL 4.27 1.45 1 88 SER -1.40 0.84 1 90 ALA 2.41 0.83 1 91 ASP 1.28 1.17 1 92 VAL 3.27 1.43 1 93 TYR 2.15 -1.39 1 96 ILE 5.01 0.04 1 97 LEU 5.22 3.16 1 98 GLN 3.77 1.92 1 99 LEU 5.30 2.77 1 100 LEU 5.64 2.83 1 101 LYS 4.91 3.81 1 102 ASP 4.47 2.90 1 103 LEU 5.66 3.19 1 104 ARG 5.56 3.14 1 105 SER 4.33 2.89 1 106 ASN 0.02 0.55 1 107 LYS 6.48 0.71 1 108 ILE 0.77 -1.09 1 109 LYS -0.75 -1.31 1 110 ILE -1.53 -0.12 1 111 ALA -7.46 -3.40 1 112 LEU -0.78 -1.06 1 113 ALA -3.02 -3.08 1 114 SER -3.43 -2.69 1 115 ALA 0.02 -0.93 1 116 SER -0.40 -0.67 1 118 ASN 0.16 -0.08 1 121 PHE 3.57 2.70 1 122 LEU 4.44 2.57 1 123 LEU 5.25 3.04 1 124 GLU 4.08 2.11 1 125 ARG 3.50 0.74 1 126 MET 0.98 0.59 1 127 ASN 2.78 0.47 1 128 LEU -3.31 -1.40 1 129 THR 6.42 5.25 1 131 TYR 1.62 1.65 1 132 PHE 1.02 0.59 1 133 ASP 1.01 2.32 1 134 ALA -4.49 -0.68 1 135 ILE -1.50 -0.66 1 136 ALA 0.42 -0.32 1 137 ASP -1.16 -1.03 1 139 ALA 1.48 0.49 1 140 GLU 0.83 0.16 1 141 VAL 1.31 -0.08 1 142 ALA 1.07 0.10 1 143 ALA 0.75 -0.19 1 144 SER 0.62 -0.07 1 145 LYS 0.93 -0.13 1 146 ALA -0.73 -0.98 1 147 ALA 2.79 2.19 1 149 ASP 3.88 2.48 1 150 ILE 3.47 1.63 1 151 PHE 6.79 5.03 1 152 ILE 5.88 4.51 1 153 ALA 3.69 1.86 1 154 ALA 3.19 2.30 1 155 ALA 5.09 1.85 1 156 HIS 3.19 3.21 1 157 ALA 3.29 1.69 1 158 VAL -0.25 -2.71 1 160 VAL -4.27 -3.28 1 161 ALA -0.07 -0.96 1 163 SER 3.44 1.51 1 164 GLU -0.44 -1.06 1 165 SER -2.31 -0.71 1 166 ILE -4.17 -2.26 1 168 LEU -0.13 -1.61 1 171 SER -5.31 -2.12 1 172 GLN 6.13 4.06 1 173 ALA 3.75 1.83 1 175 ILE 5.51 1.59 1 176 GLN 4.51 2.17 1 177 ALA 3.84 2.27 1 178 ILE 6.31 3.85 1 179 LYS 4.94 3.38 1 180 ASP 3.98 2.46 1 181 SER 1.56 2.25 1 183 ALA -2.30 -1.77 1 184 LEU -3.03 -1.47 1 186 ILE 1.02 0.38 1 188 VAL -4.15 -5.05 1 190 ARG -1.04 -1.41 1 192 GLU 4.96 2.62 1 193 ASP -0.07 0.67 1 194 LEU 0.29 0.74 1 196 ASP -0.54 -0.36 1 197 ASP 0.99 -0.52 1 198 ILE -4.32 -2.97 1 199 VAL 4.23 1.54 1 200 ILE -5.26 -2.93 1 201 VAL -2.56 -3.50 1 203 ASP -1.61 -1.14 1 204 THR 4.39 3.50 1 205 SER 4.69 2.95 1 206 HIS 0.56 1.77 1 207 TYR -0.08 -3.55 1 208 THR -5.21 -3.86 1 209 LEU 5.73 3.18 1 210 GLU 4.38 2.90 1 211 PHE 3.40 3.22 1 212 LEU 6.33 3.84 1 213 LYS 5.45 4.34 1 214 GLU 3.94 2.55 1 215 VAL 5.75 3.53 1 216 TRP 3.66 3.10 1 217 LEU 3.41 1.96 1 218 GLN 2.93 1.44 1 219 LYS 1.11 -0.79 1 220 GLN 1.12 -0.57 1 221 LYS 1.87 1.07 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27920_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.46 _LACS_plot.Line_1_terminator_val_y_1 3.39 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -1.53 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.14 _LACS_plot.Line_2_terminator_val_x_2 8.50 _LACS_plot.Line_2_terminator_val_y_2 -2.96 _LACS_plot.Y_axis_chem_shift_offset 0.47 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 20 HIS 4.83 1.84 0 12 VAL 1.69 0.29 1 13 ILE 2.69 -0.28 1 14 THR -0.09 -2.52 1 15 ASP -2.22 1.78 1 16 THR 0.21 -1.14 1 17 ALA 4.61 -0.87 1 18 GLU 3.31 -1.49 1 19 TYR 4.55 -1.58 1 21 PHE 4.68 -2.15 1 22 ARG 4.33 -1.05 1 23 ALA 4.08 -1.28 1 24 TRP 1.61 0.23 1 25 LYS 5.00 -1.61 1 26 ALA 3.57 -1.91 1 27 LEU 2.73 -0.80 1 28 ALA 4.34 -1.80 1 29 GLU 3.77 -1.62 1 30 GLU 3.43 -1.14 1 31 ILE 1.76 -1.85 1 33 ILE 0.22 -0.45 1 34 ASN -1.08 0.54 1 36 VAL 4.36 -4.17 1 37 ASP -3.34 0.79 1 38 ARG 5.65 -2.47 1 39 GLN 4.90 -2.16 1 40 PHE 4.14 -0.73 1 41 ASN 2.63 0.33 1 42 GLU 3.35 -1.29 1 43 GLN 2.50 -1.86 1 47 VAL 0.21 -1.10 1 53 LEU 5.01 -3.04 1 54 GLN 3.89 -1.40 1 55 LYS 4.69 -1.73 1 56 ILE 5.52 -1.78 1 57 LEU 6.11 -3.43 1 58 ASP 3.85 -1.60 1 59 LEU 3.65 -1.47 1 60 ALA -3.00 0.85 1 61 ASP 2.52 -1.70 1 62 LYS -1.06 0.23 1 63 LYS -0.92 -0.82 1 64 VAL -5.46 1.53 1 65 SER -2.26 1.04 1 66 ALA 4.50 -1.91 1 67 GLU 4.40 -1.61 1 68 GLU 2.56 -0.49 1 69 PHE 5.08 -0.75 1 70 LYS 4.46 -1.40 1 71 GLU 3.64 -1.59 1 72 LEU 3.20 -0.82 1 73 ALA 5.49 -2.89 1 74 LYS 4.90 -1.92 1 75 ARG 4.77 -1.94 1 76 LYS 8.50 -4.35 1 77 ASN 4.45 -1.08 1 78 ASP 4.62 -1.82 1 79 ASN 3.59 -1.68 1 80 TYR 5.07 -0.96 1 81 VAL 5.90 -2.29 1 82 LYS 4.33 -1.91 1 83 MET 4.04 -1.29 1 84 ILE 5.40 -3.08 1 85 GLN 4.03 -2.01 1 86 ASP 0.31 -0.28 1 87 VAL 4.27 -2.82 1 88 SER -1.40 2.24 1 90 ALA 2.41 -1.58 1 91 ASP 1.28 -0.11 1 92 VAL 3.27 -1.84 1 93 TYR 2.15 -3.54 1 96 ILE 5.01 -4.97 1 97 LEU 5.22 -2.06 1 98 GLN 3.77 -1.85 1 99 LEU 5.30 -2.53 1 100 LEU 5.64 -2.81 1 101 LYS 4.91 -1.10 1 102 ASP 4.47 -1.57 1 103 LEU 5.66 -2.47 1 104 ARG 5.56 -2.42 1 105 SER 4.33 -1.44 1 106 ASN 0.02 0.53 1 107 LYS 6.48 -5.77 1 108 ILE 0.77 -1.86 1 109 LYS -0.75 -0.56 1 110 ILE -1.53 1.41 1 111 ALA -7.46 4.06 1 112 LEU -0.78 -0.28 1 113 ALA -3.02 -0.06 1 114 SER -3.43 0.74 1 115 ALA 0.02 -0.95 1 116 SER -0.40 -0.27 1 118 ASN 0.16 -0.24 1 121 PHE 3.57 -0.87 1 122 LEU 4.44 -1.87 1 123 LEU 5.25 -2.21 1 124 GLU 4.08 -1.97 1 125 ARG 3.50 -2.76 1 126 MET 0.98 -0.39 1 127 ASN 2.78 -2.31 1 128 LEU -3.31 1.91 1 129 THR 6.42 -1.17 1 131 TYR 1.62 0.03 1 132 PHE 1.02 -0.43 1 133 ASP 1.01 1.31 1 134 ALA -4.49 3.81 1 135 ILE -1.50 0.84 1 136 ALA 0.42 -0.74 1 137 ASP -1.16 0.13 1 139 ALA 1.48 -0.99 1 140 GLU 0.83 -0.67 1 141 VAL 1.31 -1.39 1 142 ALA 1.07 -0.97 1 143 ALA 0.75 -0.94 1 144 SER 0.62 -0.69 1 145 LYS 0.93 -1.06 1 146 ALA -0.73 -0.25 1 147 ALA 2.79 -0.60 1 149 ASP 3.88 -1.40 1 150 ILE 3.47 -1.84 1 151 PHE 6.79 -1.76 1 152 ILE 5.88 -1.37 1 153 ALA 3.69 -1.83 1 154 ALA 3.19 -0.89 1 155 ALA 5.09 -3.24 1 156 HIS 3.19 0.02 1 157 ALA 3.29 -1.60 1 158 VAL -0.25 -2.46 1 160 VAL -4.27 0.99 1 161 ALA -0.07 -0.89 1 163 SER 3.44 -1.93 1 164 GLU -0.44 -0.62 1 165 SER -2.31 1.60 1 166 ILE -4.17 1.91 1 168 LEU -0.13 -1.48 1 171 SER -5.31 3.19 1 172 GLN 6.13 -2.07 1 173 ALA 3.75 -1.92 1 175 ILE 5.51 -3.92 1 176 GLN 4.51 -2.34 1 177 ALA 3.84 -1.57 1 178 ILE 6.31 -2.46 1 179 LYS 4.94 -1.56 1 180 ASP 3.98 -1.52 1 181 SER 1.56 0.69 1 183 ALA -2.30 0.53 1 184 LEU -3.03 1.56 1 186 ILE 1.02 -0.64 1 188 VAL -4.15 -0.90 1 190 ARG -1.04 -0.37 1 192 GLU 4.96 -2.34 1 193 ASP -0.07 0.74 1 194 LEU 0.29 0.45 1 196 ASP -0.54 0.18 1 197 ASP 0.99 -1.51 1 198 ILE -4.32 1.35 1 199 VAL 4.23 -2.69 1 200 ILE -5.26 2.33 1 201 VAL -2.56 -0.94 1 203 ASP -1.61 0.47 1 204 THR 4.39 -0.89 1 205 SER 4.69 -1.74 1 206 HIS 0.56 1.21 1 207 TYR -0.08 -3.47 1 208 THR -5.21 1.35 1 209 LEU 5.73 -2.55 1 210 GLU 4.38 -1.48 1 211 PHE 3.40 -0.18 1 212 LEU 6.33 -2.49 1 213 LYS 5.45 -1.11 1 214 GLU 3.94 -1.39 1 215 VAL 5.75 -2.22 1 216 TRP 3.66 -0.56 1 217 LEU 3.41 -1.45 1 218 GLN 2.93 -1.49 1 219 LYS 1.11 -1.90 1 220 GLN 1.12 -1.69 1 221 LYS 1.87 -0.80 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27920_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.46 _LACS_plot.Line_1_terminator_val_y_1 -2.63 _LACS_plot.Line_1_terminator_val_x_2 1.99 _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 -0.68 _LACS_plot.Line_2_terminator_val_x_2 8.50 _LACS_plot.Line_2_terminator_val_y_2 3.05 _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 107 LYS 6.48 -1.52 0 156 HIS 3.19 5.63 0 113 ALA -3.02 -4.84 0 111 ALA -7.46 -1.62 0 12 VAL 1.69 -3.58 1 13 ILE 2.69 -1.02 1 14 THR -0.09 -2.74 1 15 ASP -2.22 0.21 1 16 THR 0.21 1.45 1 17 ALA 4.61 3.23 1 18 GLU 3.31 1.61 1 19 TYR 4.55 2.81 1 20 HIS 4.83 3.24 1 21 PHE 4.68 1.17 1 22 ARG 4.33 3.25 1 23 ALA 4.08 1.98 1 24 TRP 1.61 2.54 1 25 LYS 5.00 1.59 1 26 ALA 3.57 2.90 1 27 LEU 2.73 0.50 1 28 ALA 4.34 1.96 1 29 GLU 3.77 3.68 1 30 GLU 3.43 2.21 1 31 ILE 1.76 -0.46 1 33 ILE 0.22 -1.41 1 34 ASN -1.08 -0.06 1 36 VAL 4.36 -2.17 1 37 ASP -3.34 0.13 1 38 ARG 5.65 2.27 1 39 GLN 4.90 2.73 1 40 PHE 4.14 1.77 1 41 ASN 2.63 2.28 1 42 GLU 3.35 2.48 1 43 GLN 2.50 0.39 1 47 VAL 0.21 0.14 1 53 LEU 5.01 0.65 1 54 GLN 3.89 1.20 1 55 LYS 4.69 2.96 1 56 ILE 5.52 1.00 1 57 LEU 6.11 3.21 1 58 ASP 3.85 3.20 1 59 LEU 3.65 0.72 1 60 ALA -3.00 -1.81 1 61 ASP 2.52 -1.58 1 62 LYS -1.06 -1.12 1 63 LYS -0.92 -0.27 1 64 VAL -5.46 -0.49 1 65 SER -2.26 0.05 1 66 ALA 4.50 3.29 1 67 GLU 4.40 2.90 1 68 GLU 2.56 2.15 1 69 PHE 5.08 1.04 1 70 LYS 4.46 3.34 1 71 GLU 3.64 2.58 1 72 LEU 3.20 0.68 1 73 ALA 5.49 2.49 1 74 LYS 4.90 2.04 1 75 ARG 4.77 2.86 1 76 LYS 8.50 2.24 1 77 ASN 4.45 1.38 1 78 ASP 4.62 3.13 1 79 ASN 3.59 1.53 1 80 TYR 5.07 -0.25 1 81 VAL 5.90 1.50 1 82 LYS 4.33 3.33 1 83 MET 4.04 3.08 1 84 ILE 5.40 -0.01 1 85 GLN 4.03 0.35 1 86 ASP 0.31 0.73 1 87 VAL 4.27 -2.46 1 88 SER -1.40 0.79 1 90 ALA 2.41 0.29 1 91 ASP 1.28 0.80 1 92 VAL 3.27 0.56 1 93 TYR 2.15 0.50 1 96 ILE 5.01 0.53 1 97 LEU 5.22 0.34 1 98 GLN 3.77 1.43 1 99 LEU 5.30 0.92 1 100 LEU 5.64 1.44 1 101 LYS 4.91 3.71 1 102 ASP 4.47 3.52 1 103 LEU 5.66 1.47 1 104 ARG 5.56 5.61 1 105 SER 4.33 0.56 1 106 ASN 0.02 -2.82 1 108 ILE 0.77 -0.64 1 109 LYS -0.75 -0.77 1 110 ILE -1.53 -0.57 1 112 LEU -0.78 -3.57 1 114 SER -3.43 -0.23 1 115 ALA 0.02 -0.84 1 118 ASN 0.16 -0.50 1 121 PHE 3.57 1.52 1 122 LEU 4.44 1.17 1 123 LEU 5.25 1.34 1 124 GLU 4.08 4.28 1 125 ARG 3.50 2.11 1 126 MET 0.98 -2.70 1 127 ASN 2.78 0.61 1 128 LEU -3.31 0.26 1 129 THR 6.42 1.60 1 131 TYR 1.62 -1.33 1 132 PHE 1.02 0.01 1 133 ASP 1.01 0.00 1 134 ALA -4.49 -2.40 1 135 ILE -1.50 -1.07 1 136 ALA 0.42 -1.55 1 137 ASP -1.16 0.50 1 139 ALA 1.48 1.09 1 140 GLU 0.83 0.81 1 141 VAL 1.31 0.09 1 142 ALA 1.07 -0.05 1 143 ALA 0.75 0.10 1 144 SER 0.62 0.15 1 145 LYS 0.93 -0.79 1 146 ALA -0.73 -0.89 1 147 ALA 2.79 0.65 1 149 ASP 3.88 2.03 1 150 ILE 3.47 0.26 1 151 PHE 6.79 1.93 1 152 ILE 5.88 1.42 1 153 ALA 3.69 3.17 1 154 ALA 3.19 -0.82 1 155 ALA 5.09 2.00 1 157 ALA 3.29 1.60 1 158 VAL -0.25 -0.77 1 160 VAL -4.27 -2.16 1 161 ALA -0.07 2.85 1 163 SER 3.44 1.37 1 164 GLU -0.44 -1.80 1 165 SER -2.31 -2.48 1 166 ILE -4.17 -1.05 1 168 LEU -0.13 -2.46 1 171 SER -5.31 -0.67 1 172 GLN 6.13 2.44 1 173 ALA 3.75 3.08 1 175 ILE 5.51 1.52 1 176 GLN 4.51 1.09 1 177 ALA 3.84 2.19 1 178 ILE 6.31 3.60 1 179 LYS 4.94 4.43 1 180 ASP 3.98 1.85 1 181 SER 1.56 -0.85 1 183 ALA -2.30 -2.86 1 184 LEU -3.03 0.05 1 186 ILE 1.02 2.09 1 188 VAL -4.15 -2.30 1 190 ARG -1.04 1.46 1 192 GLU 4.96 0.25 1 193 ASP -0.07 0.49 1 194 LEU 0.29 -1.39 1 196 ASP -0.54 0.61 1 197 ASP 0.99 -1.05 1 198 ILE -4.32 -1.05 1 199 VAL 4.23 -2.02 1 200 ILE -5.26 -0.29 1 201 VAL -2.56 -0.52 1 203 ASP -1.61 -0.52 1 204 THR 4.39 1.81 1 205 SER 4.69 1.00 1 206 HIS 0.56 2.64 1 207 TYR -0.08 -2.38 1 208 THR -5.21 -0.01 1 209 LEU 5.73 0.26 1 210 GLU 4.38 2.25 1 211 PHE 3.40 0.98 1 212 LEU 6.33 1.48 1 213 LYS 5.45 1.51 1 214 GLU 3.94 3.04 1 215 VAL 5.75 2.14 1 216 TRP 3.66 2.59 1 217 LEU 3.41 2.33 1 218 GLN 2.93 1.75 1 219 LYS 1.11 0.04 1 220 GLN 1.12 -0.92 1 221 LYS 1.87 4.93 1 stop_ save_