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 bmr26763_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -9.07 _LACS_plot.Line_1_terminator_val_y_1 -3.78 _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 -1.43 _LACS_plot.Line_2_terminator_val_x_2 9.84 _LACS_plot.Line_2_terminator_val_y_2 6.32 _LACS_plot.Y_axis_chem_shift_offset 0.09 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 73 THR 9.84 2.92 0 10 THR 7.14 4.81 1 11 ALA 3.55 3.58 1 12 GLN 3.70 2.81 1 13 GLU 3.96 2.53 1 14 VAL 5.67 3.78 1 15 LEU 4.38 2.82 1 17 TYR 3.61 -0.71 1 18 ASN 1.57 2.92 1 19 ARG -0.08 -0.01 1 20 ASP 0.50 -0.73 1 21 THR 1.08 -0.21 1 22 SER -1.96 -0.41 1 24 TRP -1.59 -0.85 1 25 LYS -2.51 -1.76 1 26 VAL 3.88 2.56 1 27 VAL -1.04 -0.56 1 28 LYS -3.04 0.45 1 29 THR -1.96 -1.43 1 30 SER -2.02 -1.03 1 31 LYS 4.93 0.88 1 33 ILE -0.80 -1.06 1 34 THR -1.30 -0.15 1 35 VAL -1.22 -0.60 1 36 SER -3.26 -1.06 1 37 SER -5.74 -1.13 1 38 LYS -3.14 -0.86 1 39 ALA 1.59 0.38 1 40 SER 0.00 -0.56 1 41 ARG 1.31 -0.09 1 42 LYS -0.56 -0.88 1 43 PHE -2.48 -2.96 1 44 HIS 2.78 -0.85 1 46 ASN -2.27 -0.19 1 47 LEU -2.59 -1.55 1 48 TYR -3.65 -0.63 1 49 ARG -4.86 -2.60 1 50 VAL -4.03 -2.67 1 51 GLU -7.15 -2.57 1 53 ILE -2.00 -2.00 1 54 ILE -0.65 0.42 1 56 GLU -6.69 -2.47 1 57 SER 1.18 0.81 1 59 ALA 3.74 3.45 1 60 LYS 3.76 2.88 1 61 LEU 3.55 2.71 1 62 SER 3.92 3.50 1 63 ASP 3.27 3.78 1 64 PHE 2.90 2.96 1 65 LEU 2.30 0.91 1 66 TYR -1.40 0.71 1 67 GLN 1.26 0.33 1 68 THR 4.84 1.03 1 70 ASP -0.93 -0.67 1 71 ARG 2.57 1.82 1 72 ILE 2.09 1.74 1 74 TRP -4.16 -2.76 1 75 ASP 5.35 2.42 1 76 LYS 0.86 -0.77 1 77 SER 1.89 -0.34 1 78 LEU -2.65 -1.58 1 79 GLN 1.34 1.47 1 80 VAL -1.82 0.06 1 81 TYR 0.67 0.38 1 82 ASN -4.71 -2.08 1 83 MET -0.70 0.89 1 84 VAL -4.93 -1.82 1 85 HIS -1.63 2.25 1 86 ARG 2.31 -0.02 1 87 ILE 1.49 0.60 1 88 ASP 0.06 -0.68 1 89 SER 3.83 3.28 1 90 ASP -1.68 0.58 1 91 THR 0.59 -0.16 1 92 PHE -3.42 -1.48 1 93 ILE -0.06 -2.26 1 95 HIS -5.58 -0.60 1 96 THR 2.51 -0.75 1 97 ILE -2.09 -0.78 1 98 THR -0.15 0.39 1 99 GLN 0.72 -0.28 1 100 SER -0.12 -0.25 1 101 PHE -2.58 -1.63 1 102 ALA 1.67 0.36 1 103 VAL 1.65 -0.82 1 105 SER 2.33 1.42 1 106 ILE 0.14 -0.13 1 107 SER 2.56 1.52 1 109 ARG -4.95 -3.63 1 110 ASP -5.16 -1.04 1 111 PHE -4.39 -1.11 1 112 ILE -1.98 -3.66 1 113 ASP -5.10 -2.09 1 114 LEU -2.72 -0.97 1 115 VAL -3.12 -3.50 1 116 TYR -9.07 -4.29 1 117 ILE -5.69 -3.65 1 119 ARG -0.63 -1.22 1 120 TYR -2.86 -0.63 1 121 GLU 0.77 0.66 1 123 ASN 3.33 1.63 1 124 MET -3.05 -1.25 1 125 ASN -4.67 -1.44 1 126 ILE -3.42 -0.71 1 127 ILE -1.39 -0.41 1 128 SER -4.71 -1.81 1 129 SER -3.98 -1.21 1 130 LYS -3.40 -0.48 1 131 SER 3.67 -0.39 1 132 VAL -2.54 -2.20 1 133 ASP -0.61 -0.09 1 134 PHE -4.61 -1.45 1 136 GLU 1.27 1.13 1 137 TYR -1.90 0.19 1 140 SER -4.43 -1.70 1 141 SER 2.07 1.20 1 142 ASN 1.87 1.66 1 143 TYR -5.99 -3.15 1 144 ILE 0.04 -0.71 1 145 ARG 1.41 0.52 1 147 TYR -2.48 0.76 1 148 ASN 0.79 -0.30 1 149 HIS 1.32 2.68 1 153 PHE -4.72 -2.05 1 154 VAL -1.47 -0.86 1 156 SER 0.01 0.21 1 158 MET 1.84 0.29 1 159 GLU 4.73 3.40 1 160 GLU 0.90 0.65 1 161 ASN -0.02 -0.25 1 163 ALA 0.44 -0.23 1 164 TYR -5.70 -4.77 1 165 SER -3.73 0.25 1 166 LYS -1.86 -0.90 1 167 LEU -3.42 -2.18 1 168 VAL -3.10 -2.16 1 169 MET -6.22 -2.99 1 170 PHE -5.99 -3.95 1 171 VAL -5.72 -2.85 1 172 GLN -0.98 -1.10 1 173 THR -0.45 1.13 1 174 GLU -2.43 -1.93 1 175 MET 0.97 0.65 1 176 ARG 4.70 0.97 1 179 LEU -0.85 -0.34 1 180 SER 0.84 0.50 1 183 ILE 3.35 2.40 1 184 ILE 4.07 2.87 1 185 GLU 2.70 2.52 1 186 LYS 2.78 1.61 1 187 THR 5.85 2.80 1 188 MET 4.77 2.69 1 190 SER 3.57 4.50 1 191 ASN 3.65 2.73 1 192 LEU 4.98 2.90 1 193 VAL 5.78 4.53 1 194 ASN 4.63 2.89 1 195 PHE 4.09 2.31 1 196 ILE 1.92 1.29 1 197 LEU 5.41 2.79 1 198 ASN 4.65 2.89 1 199 ALA 4.95 2.36 1 200 LYS 4.29 3.73 1 201 ASP 2.80 2.77 1 203 ILE 4.20 1.80 1 204 LYS 2.81 1.97 1 205 ALA 0.44 0.28 1 206 HIS 0.12 1.62 1 207 ARG -0.37 -0.27 1 208 THR 0.60 -0.04 1 210 SER 0.47 0.19 1 211 ARG 0.54 0.03 1 212 ARG 0.44 0.31 1 214 PHE 0.00 0.15 1 217 ASN -0.38 1.67 1 218 SER 0.50 0.22 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26763_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -9.07 _LACS_plot.Line_1_terminator_val_y_1 5.29 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.24 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.57 _LACS_plot.Line_2_terminator_val_x_2 9.84 _LACS_plot.Line_2_terminator_val_y_2 -3.52 _LACS_plot.Y_axis_chem_shift_offset 0.09 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 73 THR 9.84 -6.92 0 10 THR 7.14 -2.33 1 11 ALA 3.55 0.03 1 12 GLN 3.70 -0.89 1 13 GLU 3.96 -1.43 1 14 VAL 5.67 -1.89 1 15 LEU 4.38 -1.56 1 17 TYR 3.61 -4.32 1 18 ASN 1.57 1.35 1 19 ARG -0.08 0.07 1 20 ASP 0.50 -1.23 1 21 THR 1.08 -1.29 1 22 SER -1.96 1.55 1 24 TRP -1.59 0.74 1 25 LYS -2.51 0.75 1 26 VAL 3.88 -1.32 1 27 VAL -1.04 0.48 1 28 LYS -3.04 3.49 1 29 THR -1.96 0.53 1 30 SER -2.02 0.99 1 31 LYS 4.93 -4.05 1 33 ILE -0.80 -0.26 1 34 THR -1.30 1.15 1 35 VAL -1.22 0.62 1 36 SER -3.26 2.20 1 37 SER -5.74 4.61 1 38 LYS -3.14 2.28 1 39 ALA 1.59 -1.21 1 40 SER 0.00 -0.56 1 41 ARG 1.31 -1.40 1 42 LYS -0.56 -0.32 1 43 PHE -2.48 -0.48 1 44 HIS 2.78 -3.63 1 46 ASN -2.27 2.08 1 47 LEU -2.59 1.04 1 48 TYR -3.65 3.02 1 49 ARG -4.86 2.26 1 50 VAL -4.03 1.36 1 51 GLU -7.15 4.58 1 53 ILE -2.00 0.00 1 54 ILE -0.65 1.07 1 56 GLU -6.69 4.22 1 57 SER 1.18 -0.37 1 59 ALA 3.74 -0.29 1 60 LYS 3.76 -0.88 1 61 LEU 3.55 -0.84 1 62 SER 3.92 -0.42 1 63 ASP 3.27 0.51 1 64 PHE 2.90 0.06 1 65 LEU 2.30 -1.39 1 66 TYR -1.40 2.11 1 67 GLN 1.26 -0.93 1 68 THR 4.84 -3.81 1 70 ASP -0.93 0.26 1 71 ARG 2.57 -0.75 1 72 ILE 2.09 -0.35 1 74 TRP -4.16 1.40 1 75 ASP 5.35 -2.93 1 76 LYS 0.86 -1.63 1 77 SER 1.89 -2.23 1 78 LEU -2.65 1.07 1 79 GLN 1.34 0.13 1 80 VAL -1.82 1.88 1 81 TYR 0.67 -0.29 1 82 ASN -4.71 2.63 1 83 MET -0.70 1.59 1 84 VAL -4.93 3.11 1 85 HIS -1.63 3.88 1 86 ARG 2.31 -2.33 1 87 ILE 1.49 -0.89 1 88 ASP 0.06 -0.74 1 89 SER 3.83 -0.55 1 90 ASP -1.68 2.26 1 91 THR 0.59 -0.75 1 92 PHE -3.42 1.94 1 93 ILE -0.06 -2.20 1 95 HIS -5.58 4.98 1 96 THR 2.51 -3.26 1 97 ILE -2.09 1.31 1 98 THR -0.15 0.54 1 99 GLN 0.72 -1.00 1 100 SER -0.12 -0.13 1 101 PHE -2.58 0.95 1 102 ALA 1.67 -1.31 1 103 VAL 1.65 -2.47 1 105 SER 2.33 -0.91 1 106 ILE 0.14 -0.27 1 107 SER 2.56 -1.04 1 109 ARG -4.95 1.32 1 110 ASP -5.16 4.12 1 111 PHE -4.39 3.28 1 112 ILE -1.98 -1.68 1 113 ASP -5.10 3.01 1 114 LEU -2.72 1.75 1 115 VAL -3.12 -0.38 1 116 TYR -9.07 4.78 1 117 ILE -5.69 2.04 1 119 ARG -0.63 -0.59 1 120 TYR -2.86 2.23 1 121 GLU 0.77 -0.11 1 123 ASN 3.33 -1.70 1 124 MET -3.05 1.80 1 125 ASN -4.67 3.23 1 126 ILE -3.42 2.71 1 127 ILE -1.39 0.98 1 128 SER -4.71 2.90 1 129 SER -3.98 2.77 1 130 LYS -3.40 2.92 1 131 SER 3.67 -4.06 1 132 VAL -2.54 0.34 1 133 ASP -0.61 0.52 1 134 PHE -4.61 3.16 1 136 GLU 1.27 -0.14 1 137 TYR -1.90 2.09 1 140 SER -4.43 2.73 1 141 SER 2.07 -0.87 1 142 ASN 1.87 -0.21 1 143 TYR -5.99 2.84 1 144 ILE 0.04 -0.75 1 145 ARG 1.41 -0.89 1 147 TYR -2.48 3.24 1 148 ASN 0.79 -1.09 1 149 HIS 1.32 1.36 1 153 PHE -4.72 2.67 1 154 VAL -1.47 0.61 1 156 SER 0.01 0.20 1 158 MET 1.84 -1.55 1 159 GLU 4.73 -1.33 1 160 GLU 0.90 -0.25 1 161 ASN -0.02 -0.23 1 163 ALA 0.44 -0.67 1 164 TYR -5.70 0.93 1 165 SER -3.73 3.98 1 166 LYS -1.86 0.96 1 167 LEU -3.42 1.24 1 168 VAL -3.10 0.94 1 169 MET -6.22 3.23 1 170 PHE -5.99 2.04 1 171 VAL -5.72 2.87 1 172 GLN -0.98 -0.12 1 173 THR -0.45 1.58 1 174 GLU -2.43 0.50 1 175 MET 0.97 -0.32 1 176 ARG 4.70 -3.73 1 179 LEU -0.85 0.51 1 180 SER 0.84 -0.34 1 183 ILE 3.35 -0.95 1 184 ILE 4.07 -1.20 1 185 GLU 2.70 -0.18 1 186 LYS 2.78 -1.17 1 187 THR 5.85 -3.05 1 188 MET 4.77 -2.08 1 190 SER 3.57 0.93 1 191 ASN 3.65 -0.92 1 192 LEU 4.98 -2.08 1 193 VAL 5.78 -1.25 1 194 ASN 4.63 -1.74 1 195 PHE 4.09 -1.78 1 196 ILE 1.92 -0.63 1 197 LEU 5.41 -2.62 1 198 ASN 4.65 -1.76 1 199 ALA 4.95 -2.59 1 200 LYS 4.29 -0.56 1 201 ASP 2.80 -0.03 1 203 ILE 4.20 -2.40 1 204 LYS 2.81 -0.84 1 205 ALA 0.44 -0.16 1 206 HIS 0.12 1.50 1 207 ARG -0.37 0.10 1 208 THR 0.60 -0.64 1 210 SER 0.47 -0.28 1 211 ARG 0.54 -0.51 1 212 ARG 0.44 -0.13 1 214 PHE 0.00 0.15 1 217 ASN -0.38 2.05 1 218 SER 0.50 -0.28 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26763_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -9.07 _LACS_plot.Line_1_terminator_val_y_1 -3.18 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.10 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.12 _LACS_plot.Line_2_terminator_val_x_2 9.84 _LACS_plot.Line_2_terminator_val_y_2 2.26 _LACS_plot.Y_axis_chem_shift_offset 0.52 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 92 PHE -3.42 -5.24 0 123 ASN 3.33 -3.54 0 73 THR 9.84 -0.02 0 10 THR 7.14 -0.22 1 11 ALA 3.55 1.98 1 12 GLN 3.70 2.69 1 13 GLU 3.96 1.48 1 14 VAL 5.67 0.85 1 15 LEU 4.38 1.48 1 17 TYR 3.61 2.90 1 18 ASN 1.57 0.71 1 19 ARG -0.08 -1.06 1 20 ASP 0.50 0.51 1 21 THR 1.08 0.37 1 22 SER -1.96 -0.64 1 24 TRP -1.59 -0.07 1 25 LYS -2.51 -0.50 1 26 VAL 3.88 0.20 1 27 VAL -1.04 -0.34 1 28 LYS -3.04 -3.38 1 29 THR -1.96 -0.70 1 30 SER -2.02 -1.04 1 33 ILE -0.80 -0.86 1 34 THR -1.30 -0.98 1 35 VAL -1.22 -1.39 1 36 SER -3.26 -1.96 1 37 SER -5.74 -1.39 1 38 LYS -3.14 -2.76 1 39 ALA 1.59 0.32 1 40 SER 0.00 1.16 1 41 ARG 1.31 0.51 1 42 LYS -0.56 -1.92 1 43 PHE -2.48 -3.54 1 44 HIS 2.78 -1.12 1 46 ASN -2.27 -2.30 1 47 LEU -2.59 -2.93 1 48 TYR -3.65 -1.58 1 49 ARG -4.86 -1.71 1 50 VAL -4.03 -2.78 1 51 GLU -7.15 -1.66 1 53 ILE -2.00 -0.22 1 56 GLU -6.69 -2.46 1 59 ALA 3.74 1.63 1 60 LYS 3.76 2.50 1 61 LEU 3.55 -0.25 1 62 SER 3.92 0.38 1 63 ASP 3.27 1.29 1 64 PHE 2.90 0.87 1 65 LEU 2.30 -1.72 1 66 TYR -1.40 0.26 1 67 GLN 1.26 1.26 1 68 THR 4.84 3.06 1 70 ASP -0.93 0.61 1 71 ARG 2.57 0.05 1 72 ILE 2.09 0.10 1 74 TRP -4.16 -0.72 1 75 ASP 5.35 -0.89 1 76 LYS 0.86 -1.23 1 77 SER 1.89 -0.76 1 78 LEU -2.65 -1.87 1 79 GLN 1.34 -0.76 1 80 VAL -1.82 -3.23 1 81 TYR 0.67 -3.69 1 82 ASN -4.71 -1.37 1 83 MET -0.70 -1.06 1 84 VAL -4.93 -0.63 1 85 HIS -1.63 -1.67 1 86 ARG 2.31 -2.15 1 87 ILE 1.49 -0.80 1 89 SER 3.83 0.39 1 90 ASP -1.68 -1.70 1 91 THR 0.59 -0.29 1 93 ILE -0.06 -1.74 1 95 HIS -5.58 -0.87 1 96 THR 2.51 -0.13 1 97 ILE -2.09 0.74 1 98 THR -0.15 0.06 1 99 GLN 0.72 -0.10 1 100 SER -0.12 -1.38 1 101 PHE -2.58 -0.54 1 102 ALA 1.67 -0.17 1 103 VAL 1.65 0.19 1 105 SER 2.33 -0.44 1 106 ILE 0.14 -1.52 1 109 ARG -4.95 -0.43 1 110 ASP -5.16 -3.28 1 111 PHE -4.39 -0.70 1 112 ILE -1.98 -2.48 1 113 ASP -5.10 -2.63 1 114 LEU -2.72 -3.32 1 115 VAL -3.12 -2.62 1 116 TYR -9.07 -2.04 1 119 ARG -0.63 -0.43 1 120 TYR -2.86 -0.05 1 121 GLU 0.77 -0.02 1 124 MET -3.05 -2.45 1 125 ASN -4.67 -1.36 1 126 ILE -3.42 -0.66 1 127 ILE -1.39 -1.33 1 128 SER -4.71 -1.76 1 129 SER -3.98 -2.03 1 130 LYS -3.40 -1.95 1 131 SER 3.67 -2.15 1 132 VAL -2.54 -1.98 1 133 ASP -0.61 -1.19 1 136 GLU 1.27 -1.50 1 140 SER -4.43 -0.11 1 141 SER 2.07 0.50 1 142 ASN 1.87 -1.67 1 143 TYR -5.99 -0.96 1 144 ILE 0.04 -1.63 1 145 ARG 1.41 -0.13 1 147 TYR -2.48 -2.95 1 148 ASN 0.79 -1.39 1 153 PHE -4.72 -1.54 1 154 VAL -1.47 -0.57 1 158 MET 1.84 0.84 1 159 GLU 4.73 1.46 1 160 GLU 0.90 -0.23 1 163 ALA 0.44 -2.06 1 164 TYR -5.70 -0.54 1 165 SER -3.73 -0.63 1 166 LYS -1.86 -2.13 1 167 LEU -3.42 -3.60 1 168 VAL -3.10 -2.42 1 169 MET -6.22 -2.45 1 170 PHE -5.99 -0.25 1 171 VAL -5.72 -2.98 1 172 GLN -0.98 -2.30 1 173 THR -0.45 -2.71 1 174 GLU -2.43 -1.00 1 175 MET 0.97 0.45 1 176 ARG 4.70 -0.12 1 179 LEU -0.85 -1.12 1 183 ILE 3.35 2.74 1 184 ILE 4.07 1.31 1 185 GLU 2.70 1.50 1 186 LYS 2.78 -1.22 1 187 THR 5.85 -1.80 1 190 SER 3.57 1.46 1 191 ASN 3.65 3.02 1 192 LEU 4.98 0.58 1 193 VAL 5.78 1.28 1 194 ASN 4.63 1.64 1 195 PHE 4.09 1.04 1 196 ILE 1.92 1.76 1 197 LEU 5.41 2.19 1 198 ASN 4.65 2.73 1 199 ALA 4.95 0.22 1 200 LYS 4.29 1.63 1 201 ASP 2.80 2.71 1 203 ILE 4.20 0.02 1 204 LYS 2.81 0.72 1 205 ALA 0.44 -0.25 1 206 HIS 0.12 0.70 1 207 ARG -0.37 -0.56 1 210 SER 0.47 0.05 1 211 ARG 0.54 -0.23 1 212 ARG 0.44 0.26 1 217 ASN -0.38 0.99 1 stop_ save_