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 bmr26551_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -9.24 _LACS_plot.Line_1_terminator_val_y_1 -3.21 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.43 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.21 _LACS_plot.Line_2_terminator_val_x_2 6.11 _LACS_plot.Line_2_terminator_val_y_2 3.97 _LACS_plot.Y_axis_chem_shift_offset 0.07 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 68 MET -9.24 -1.47 0 87 HIS 5.29 6.64 0 10 ASP 1.55 1.64 1 11 TYR -4.78 -1.85 1 15 HIS 2.37 -0.09 1 16 HIS 4.50 3.16 1 17 PHE -0.41 0.16 1 18 GLU -5.07 -0.74 1 19 VAL -2.75 -2.03 1 20 THR -4.26 -2.23 1 21 PHE -3.06 -1.37 1 22 GLN 0.31 0.13 1 23 GLN 1.00 0.79 1 26 THR 0.96 -0.53 1 27 ALA 0.15 -0.12 1 29 SER -0.01 -0.70 1 30 ALA 0.87 0.51 1 31 THR 2.12 1.58 1 32 TRP -3.15 -1.91 1 33 THR 1.72 0.11 1 34 TYR -4.58 -1.76 1 35 SER -4.63 -3.02 1 37 LEU 2.07 2.36 1 38 LEU -1.25 -1.20 1 39 LYS 4.63 0.89 1 40 LYS -6.91 -1.61 1 41 LEU -3.79 -1.22 1 42 TYR -4.38 -2.82 1 44 GLN 0.41 -0.58 1 45 ILE 2.38 0.83 1 46 ALA 3.14 2.34 1 47 LYS -2.25 -1.84 1 48 THR 4.51 3.87 1 51 ILE -0.39 0.03 1 52 GLN -0.75 -1.59 1 53 ILE -3.36 -2.47 1 54 LYS -5.05 -1.18 1 55 VAL -5.42 -3.10 1 56 SER 1.74 1.56 1 57 THR -2.08 -1.64 1 63 THR 3.14 2.06 1 64 ALA -5.65 -1.38 1 65 ILE -2.53 -1.97 1 66 ARG -3.84 -1.90 1 67 ALA -3.26 -1.77 1 70 VAL -5.26 -1.80 1 71 TYR 5.39 3.76 1 72 LYS -0.30 2.18 1 73 LYS 2.47 0.69 1 74 ALA 3.81 2.88 1 75 GLU 4.10 2.00 1 76 HIS -4.80 -0.12 1 77 VAL 4.94 3.92 1 78 THR 3.60 2.04 1 79 ASP 0.34 0.16 1 80 VAL 2.59 1.70 1 81 VAL 4.06 1.45 1 82 LYS -2.95 -0.83 1 83 ARG -0.89 0.62 1 86 ASN 4.21 3.45 1 88 GLU 3.57 3.33 1 89 LEU 0.36 -0.22 1 91 ARG 2.13 1.95 1 92 ASP 3.46 1.88 1 93 PHE 3.21 1.42 1 94 ASN -0.87 -0.28 1 95 GLU 0.67 0.45 1 97 GLN -0.42 -1.14 1 98 SER 1.06 1.07 1 99 ALA 0.45 0.04 1 101 ALA 3.14 2.24 1 102 SER 0.91 0.83 1 103 HIS 1.17 3.41 1 104 LEU 3.14 2.97 1 105 ILE 0.53 0.19 1 106 ARG -6.02 -2.38 1 107 VAL -1.31 -1.23 1 108 GLU -2.87 -2.02 1 110 ASN -0.88 -0.37 1 111 ASN 2.63 1.22 1 112 LEU 0.93 -0.57 1 113 SER 0.33 0.59 1 114 GLN -3.34 -1.34 1 115 TYR 2.09 1.26 1 116 VAL -0.68 0.14 1 117 ASP -2.21 -1.61 1 118 ASP -0.93 0.45 1 120 VAL 3.94 3.09 1 121 THR -0.68 0.47 1 123 ARG 2.67 1.66 1 124 GLN -2.26 -1.82 1 125 SER -2.52 -0.06 1 126 VAL -4.27 -3.84 1 127 VAL -3.65 -1.80 1 128 VAL -3.26 -2.18 1 130 TYR 2.83 2.09 1 131 GLU -4.16 -2.03 1 134 GLN 0.94 0.18 1 135 VAL 4.06 2.37 1 137 THR -2.70 -1.19 1 138 GLU -0.83 0.25 1 139 PHE -4.54 -1.67 1 140 THR 1.14 1.56 1 141 THR 0.95 0.88 1 142 ILE -1.44 -0.01 1 143 LEU -1.09 -2.23 1 144 TYR -3.10 -0.58 1 145 ASN -6.97 -1.47 1 146 PHE -5.76 -0.36 1 147 MET 4.03 -0.27 1 149 ASN -0.13 1.00 1 151 SER 0.15 -0.06 1 153 VAL 4.27 2.47 1 156 MET 2.39 3.95 1 157 ASN 3.63 1.71 1 158 ARG 5.77 2.07 1 159 ARG -0.26 0.66 1 161 ILE -5.63 -1.73 1 162 LEU -4.51 -2.20 1 163 ILE 1.62 -0.78 1 164 ILE 0.25 -0.54 1 165 ILE -1.94 -2.73 1 166 THR -3.74 -3.40 1 167 LEU -1.64 -2.27 1 168 GLU -6.39 -2.04 1 169 MET -1.32 0.23 1 170 ARG 4.36 3.15 1 171 ASP 0.61 -0.61 1 173 GLN 2.46 2.09 1 174 VAL 3.45 2.68 1 175 LEU -3.22 -0.46 1 177 ARG -3.01 0.58 1 178 ARG -6.29 -2.38 1 179 SER -4.72 -1.17 1 180 PHE -1.95 -1.82 1 181 GLU 0.02 -0.18 1 183 ARG -1.97 -0.42 1 184 ILE 0.23 -1.23 1 186 ALA 2.21 2.36 1 190 ARG 4.07 2.97 1 191 ASP 5.20 3.38 1 192 ARG 6.12 3.37 1 193 LYS 4.55 3.18 1 194 ALA 4.04 2.62 1 195 ASP 4.49 2.92 1 196 GLU 5.44 4.02 1 197 ASP 5.03 3.13 1 198 HIS 3.66 3.57 1 199 TYR 3.52 3.27 1 200 ARG 3.41 2.63 1 201 GLU 1.81 1.49 1 202 ALA 1.86 1.09 1 203 GLU 0.12 0.08 1 204 ASN 0.93 0.15 1 205 LEU 0.13 -0.03 1 206 TYR 0.73 0.85 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26551_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -9.24 _LACS_plot.Line_1_terminator_val_y_1 6.03 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.57 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.79 _LACS_plot.Line_2_terminator_val_x_2 6.11 _LACS_plot.Line_2_terminator_val_y_2 -2.14 _LACS_plot.Y_axis_chem_shift_offset 0.07 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 68 MET -9.24 7.77 0 87 HIS 5.29 1.35 0 10 ASP 1.55 0.09 1 11 TYR -4.78 2.93 1 15 HIS 2.37 -2.46 1 16 HIS 4.50 -1.34 1 17 PHE -0.41 0.57 1 18 GLU -5.07 4.33 1 19 VAL -2.75 0.72 1 20 THR -4.26 2.03 1 21 PHE -3.06 1.69 1 22 GLN 0.31 -0.18 1 23 GLN 1.00 -0.21 1 26 THR 0.96 -1.49 1 27 ALA 0.15 -0.27 1 29 SER -0.01 -0.69 1 30 ALA 0.87 -0.36 1 31 THR 2.12 -0.54 1 32 TRP -3.15 1.24 1 33 THR 1.72 -1.61 1 34 TYR -4.58 2.82 1 35 SER -4.63 1.61 1 37 LEU 2.07 0.29 1 38 LEU -1.25 0.05 1 39 LYS 4.63 -3.74 1 40 LYS -6.91 5.30 1 41 LEU -3.79 2.57 1 42 TYR -4.38 1.56 1 44 GLN 0.41 -0.99 1 45 ILE 2.38 -1.55 1 46 ALA 3.14 -0.80 1 47 LYS -2.25 0.41 1 48 THR 4.51 -0.64 1 51 ILE -0.39 0.42 1 52 GLN -0.75 -0.84 1 53 ILE -3.36 0.89 1 54 LYS -5.05 3.87 1 55 VAL -5.42 2.32 1 56 SER 1.74 -0.18 1 57 THR -2.08 0.44 1 63 THR 3.14 -1.08 1 64 ALA -5.65 4.27 1 65 ILE -2.53 0.56 1 66 ARG -3.84 1.94 1 67 ALA -3.26 1.49 1 70 VAL -5.26 3.46 1 71 TYR 5.39 -1.63 1 72 LYS -0.30 2.48 1 73 LYS 2.47 -1.78 1 74 ALA 3.81 -0.93 1 75 GLU 4.10 -2.10 1 76 HIS -4.80 4.68 1 77 VAL 4.94 -1.02 1 78 THR 3.60 -1.56 1 79 ASP 0.34 -0.18 1 80 VAL 2.59 -0.89 1 81 VAL 4.06 -2.61 1 82 LYS -2.95 2.12 1 83 ARG -0.89 1.51 1 86 ASN 4.21 -0.76 1 88 GLU 3.57 -0.24 1 89 LEU 0.36 -0.58 1 91 ARG 2.13 -0.18 1 92 ASP 3.46 -1.58 1 93 PHE 3.21 -1.79 1 94 ASN -0.87 0.59 1 95 GLU 0.67 -0.22 1 97 GLN -0.42 -0.72 1 98 SER 1.06 0.01 1 99 ALA 0.45 -0.41 1 101 ALA 3.14 -0.90 1 102 SER 0.91 -0.08 1 103 HIS 1.17 2.24 1 104 LEU 3.14 -0.17 1 105 ILE 0.53 -0.34 1 106 ARG -6.02 3.64 1 107 VAL -1.31 0.08 1 108 GLU -2.87 0.85 1 110 ASN -0.88 0.51 1 111 ASN 2.63 -1.41 1 112 LEU 0.93 -1.50 1 113 SER 0.33 0.26 1 114 GLN -3.34 2.00 1 115 TYR 2.09 -0.83 1 116 VAL -0.68 0.82 1 117 ASP -2.21 0.60 1 118 ASP -0.93 1.38 1 120 VAL 3.94 -0.85 1 121 THR -0.68 1.15 1 123 ARG 2.67 -1.01 1 124 GLN -2.26 0.44 1 125 SER -2.52 2.46 1 126 VAL -4.27 0.43 1 127 VAL -3.65 1.85 1 128 VAL -3.26 1.08 1 130 TYR 2.83 -0.74 1 131 GLU -4.16 2.13 1 134 GLN 0.94 -0.76 1 135 VAL 4.06 -1.69 1 137 THR -2.70 1.51 1 138 GLU -0.83 1.08 1 139 PHE -4.54 2.87 1 140 THR 1.14 0.42 1 141 THR 0.95 -0.07 1 142 ILE -1.44 1.43 1 143 LEU -1.09 -1.14 1 144 TYR -3.10 2.52 1 145 ASN -6.97 5.50 1 146 PHE -5.76 5.40 1 147 MET 4.03 -4.30 1 149 ASN -0.13 1.13 1 151 SER 0.15 -0.21 1 153 VAL 4.27 -1.80 1 156 MET 2.39 1.56 1 157 ASN 3.63 -1.92 1 158 ARG 5.77 -3.70 1 159 ARG -0.26 0.92 1 161 ILE -5.63 3.90 1 162 LEU -4.51 2.31 1 163 ILE 1.62 -2.40 1 164 ILE 0.25 -0.79 1 165 ILE -1.94 -0.79 1 166 THR -3.74 0.34 1 167 LEU -1.64 -0.63 1 168 GLU -6.39 4.35 1 169 MET -1.32 1.55 1 170 ARG 4.36 -1.21 1 171 ASP 0.61 -1.22 1 173 GLN 2.46 -0.37 1 174 VAL 3.45 -0.77 1 175 LEU -3.22 2.76 1 177 ARG -3.01 3.59 1 178 ARG -6.29 3.91 1 179 SER -4.72 3.55 1 180 PHE -1.95 0.13 1 181 GLU 0.02 -0.20 1 183 ARG -1.97 1.55 1 184 ILE 0.23 -1.46 1 186 ALA 2.21 0.15 1 190 ARG 4.07 -1.10 1 191 ASP 5.20 -1.82 1 192 ARG 6.12 -2.75 1 193 LYS 4.55 -1.37 1 194 ALA 4.04 -1.42 1 195 ASP 4.49 -1.57 1 196 GLU 5.44 -1.42 1 197 ASP 5.03 -1.90 1 198 HIS 3.66 -0.09 1 199 TYR 3.52 -0.25 1 200 ARG 3.41 -0.78 1 201 GLU 1.81 -0.32 1 202 ALA 1.86 -0.77 1 203 GLU 0.12 -0.04 1 204 ASN 0.93 -0.78 1 205 LEU 0.13 -0.16 1 206 TYR 0.73 0.12 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26551_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -9.24 _LACS_plot.Line_1_terminator_val_y_1 -3.23 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.05 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.22 _LACS_plot.Line_2_terminator_val_x_2 6.11 _LACS_plot.Line_2_terminator_val_y_2 1.14 _LACS_plot.Y_axis_chem_shift_offset 0.63 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 76 HIS -4.80 2.96 0 146 PHE -5.76 2.80 0 10 ASP 1.55 0.59 1 11 TYR -4.78 -2.80 1 15 HIS 2.37 -0.12 1 16 HIS 4.50 -1.81 1 17 PHE -0.41 -0.47 1 18 GLU -5.07 -3.34 1 19 VAL -2.75 -1.53 1 20 THR -4.26 -5.05 1 21 PHE -3.06 0.77 1 22 GLN 0.31 -0.94 1 23 GLN 1.00 -0.50 1 26 THR 0.96 -0.91 1 27 ALA 0.15 0.46 1 29 SER -0.01 -0.51 1 30 ALA 0.87 0.58 1 31 THR 2.12 -1.68 1 32 TRP -3.15 -2.51 1 33 THR 1.72 -5.02 1 34 TYR -4.58 -2.83 1 37 LEU 2.07 -0.38 1 38 LEU -1.25 -1.67 1 39 LYS 4.63 -2.12 1 40 LYS -6.91 -4.78 1 41 LEU -3.79 -4.91 1 42 TYR -4.38 -0.11 1 44 GLN 0.41 0.60 1 45 ILE 2.38 -2.15 1 46 ALA 3.14 -2.12 1 47 LYS -2.25 0.36 1 48 THR 4.51 -1.11 1 51 ILE -0.39 -2.62 1 52 GLN -0.75 -1.34 1 53 ILE -3.36 -1.69 1 54 LYS -5.05 -2.85 1 55 VAL -5.42 0.36 1 56 SER 1.74 2.02 1 57 THR -2.08 -1.68 1 63 THR 3.14 -1.22 1 64 ALA -5.65 -3.14 1 65 ILE -2.53 -0.66 1 66 ARG -3.84 -2.92 1 67 ALA -3.26 -2.71 1 68 MET -9.24 -2.56 1 70 VAL -5.26 -1.84 1 71 TYR 5.39 -0.83 1 72 LYS -0.30 0.42 1 73 LYS 2.47 1.18 1 74 ALA 3.81 1.91 1 75 GLU 4.10 -0.22 1 77 VAL 4.94 0.66 1 78 THR 3.60 -0.35 1 79 ASP 0.34 -1.04 1 80 VAL 2.59 0.52 1 81 VAL 4.06 -1.81 1 82 LYS -2.95 -1.93 1 83 ARG -0.89 -0.52 1 86 ASN 4.21 3.14 1 87 HIS 5.29 3.66 1 88 GLU 3.57 -0.48 1 89 LEU 0.36 0.97 1 91 ARG 2.13 1.88 1 92 ASP 3.46 0.08 1 93 PHE 3.21 -1.08 1 94 ASN -0.87 0.34 1 95 GLU 0.67 0.46 1 97 GLN -0.42 -0.24 1 98 SER 1.06 -0.29 1 99 ALA 0.45 -1.23 1 101 ALA 3.14 -0.73 1 102 SER 0.91 0.09 1 103 HIS 1.17 2.62 1 104 LEU 3.14 -2.90 1 105 ILE 0.53 -0.89 1 106 ARG -6.02 -0.72 1 107 VAL -1.31 -0.81 1 108 GLU -2.87 -0.86 1 110 ASN -0.88 0.09 1 111 ASN 2.63 0.35 1 112 LEU 0.93 -0.98 1 113 SER 0.33 -0.98 1 114 GLN -3.34 -2.52 1 115 TYR 2.09 0.10 1 116 VAL -0.68 -2.28 1 117 ASP -2.21 -1.24 1 118 ASP -0.93 1.40 1 120 VAL 3.94 1.53 1 121 THR -0.68 1.72 1 123 ARG 2.67 -0.28 1 124 GLN -2.26 -0.86 1 125 SER -2.52 -0.83 1 126 VAL -4.27 -2.37 1 127 VAL -3.65 -1.04 1 128 VAL -3.26 -2.43 1 130 TYR 2.83 -2.22 1 131 GLU -4.16 -3.97 1 134 GLN 0.94 0.18 1 135 VAL 4.06 0.76 1 137 THR -2.70 -1.52 1 138 GLU -0.83 -1.31 1 139 PHE -4.54 -0.46 1 140 THR 1.14 -1.38 1 141 THR 0.95 -0.50 1 142 ILE -1.44 -3.76 1 143 LEU -1.09 -2.92 1 144 TYR -3.10 0.33 1 145 ASN -6.97 -3.21 1 147 MET 4.03 -1.24 1 149 ASN -0.13 1.82 1 151 SER 0.15 0.64 1 153 VAL 4.27 1.07 1 156 MET 2.39 2.54 1 157 ASN 3.63 -1.47 1 158 ARG 5.77 -0.42 1 161 ILE -5.63 -1.56 1 162 LEU -4.51 -2.90 1 163 ILE 1.62 -2.81 1 164 ILE 0.25 -0.27 1 165 ILE -1.94 0.04 1 166 THR -3.74 -2.82 1 167 LEU -1.64 -1.89 1 168 GLU -6.39 -0.38 1 169 MET -1.32 2.08 1 170 ARG 4.36 -0.08 1 171 ASP 0.61 0.72 1 173 GLN 2.46 0.13 1 174 VAL 3.45 -0.10 1 175 LEU -3.22 -1.50 1 177 ARG -3.01 -1.84 1 178 ARG -6.29 -2.57 1 179 SER -4.72 -1.47 1 180 PHE -1.95 -2.71 1 181 GLU 0.02 -1.67 1 183 ARG -1.97 -3.59 1 184 ILE 0.23 0.88 1 186 ALA 2.21 1.12 1 190 ARG 4.07 2.50 1 191 ASP 5.20 0.98 1 192 ARG 6.12 0.62 1 193 LYS 4.55 1.23 1 194 ALA 4.04 3.02 1 195 ASP 4.49 3.86 1 196 GLU 5.44 1.97 1 197 ASP 5.03 2.54 1 198 HIS 3.66 2.53 1 199 TYR 3.52 1.01 1 200 ARG 3.41 1.47 1 201 GLU 1.81 0.84 1 202 ALA 1.86 0.48 1 203 GLU 0.12 -0.53 1 204 ASN 0.93 -0.66 1 205 LEU 0.13 -1.84 1 206 TYR 0.73 4.45 1 stop_ save_