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 bmr7231_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.51 _LACS_plot.Line_1_terminator_val_y_1 -3.51 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.17 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.37 _LACS_plot.Line_2_terminator_val_x_2 9.16 _LACS_plot.Line_2_terminator_val_y_2 6.95 _LACS_plot.Y_axis_chem_shift_offset -0.20 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 124 ILE -0.12 -3.54 0 10 SER -0.14 0.07 1 11 LEU 0.51 0.58 1 12 PHE 0.07 -0.24 1 14 SER -0.15 0.08 1 15 VAL -2.85 -1.09 1 16 GLU -6.54 -2.74 1 17 THR 2.01 1.40 1 20 TRP -4.52 -2.46 1 21 GLN -4.54 -1.89 1 22 VAL 3.19 1.52 1 23 LEU 0.32 0.80 1 24 SER -0.48 0.39 1 25 THR -4.23 -1.83 1 28 LYS -2.37 0.03 1 29 GLU 3.83 1.78 1 30 ASP 1.51 0.82 1 31 VAL -0.11 -0.04 1 32 SER -3.20 -1.27 1 33 TYR -6.03 -1.81 1 34 GLU -6.30 -2.01 1 35 GLU -4.22 -2.38 1 36 ARG -6.62 -2.36 1 37 ALA -0.77 -1.39 1 39 GLU 0.85 1.96 1 42 LYS -1.52 -0.15 1 43 PHE -5.70 -1.30 1 44 ALA -3.34 -2.15 1 45 THR -6.42 -4.29 1 46 VAL -5.14 -0.78 1 47 GLU -4.10 -1.49 1 48 VAL -3.18 -0.62 1 49 THR -2.12 -0.73 1 50 ASP 4.04 2.54 1 51 LYS -3.30 -0.61 1 53 VAL 6.08 5.69 1 54 ASP 4.68 4.57 1 55 GLU 1.27 1.82 1 56 ALA 2.67 2.75 1 57 LEU 3.32 3.19 1 58 ARG 3.26 2.71 1 59 GLU 0.41 1.00 1 60 ALA 0.81 2.62 1 61 MET 9.16 4.81 1 63 LYS 4.00 3.50 1 64 ILE 3.80 0.73 1 65 MET 4.21 1.66 1 66 LYS 4.66 3.45 1 67 TYR 4.48 3.40 1 68 VAL 3.29 1.61 1 71 THR 3.13 -0.57 1 72 ASN -4.07 -0.91 1 73 ASP 3.45 2.82 1 74 LYS -2.49 -1.66 1 76 VAL -4.17 -2.21 1 78 MET -3.53 0.07 1 80 MET -4.04 -1.56 1 81 THR 0.09 -0.18 1 84 VAL 1.22 0.99 1 85 SER -8.51 -2.09 1 86 PHE -2.75 -2.00 1 87 ALA -3.43 -1.15 1 88 VAL -4.23 -3.03 1 89 PHE -2.18 -0.35 1 91 ASN -2.34 -0.59 1 92 GLU 3.88 3.29 1 93 ASP 0.21 -0.75 1 95 SER -0.16 0.37 1 96 LEU -0.43 -0.62 1 97 GLN -0.52 0.60 1 98 LYS 3.06 -0.58 1 99 LYS -2.01 0.44 1 100 LEU -4.30 0.24 1 101 LYS -3.33 0.05 1 102 VAL 0.91 1.63 1 103 TRP -0.52 0.32 1 104 PHE -3.85 -2.40 1 105 ARG 3.52 0.78 1 106 ILE 1.51 -0.32 1 108 ASN 4.72 4.23 1 109 GLN 3.54 2.57 1 110 PHE -1.61 0.13 1 111 GLN 4.64 3.89 1 113 SER -0.83 -1.31 1 116 ALA -0.46 -0.20 1 118 SER 1.74 1.11 1 119 ASP -2.04 -1.24 1 120 GLU 2.37 1.70 1 121 SER 1.92 1.97 1 122 VAL 0.28 -1.12 1 123 LYS -4.01 -2.67 1 125 GLU -6.47 -1.38 1 126 GLU -4.16 -1.68 1 127 ARG -4.10 -0.10 1 128 GLU -1.13 -0.47 1 130 ILE -5.08 -1.38 1 131 THR -0.11 -0.81 1 132 VAL -8.36 -5.31 1 133 TYR -2.64 -1.16 1 134 SER -3.64 -2.19 1 135 THR -1.99 -0.56 1 136 GLN -5.83 -1.44 1 137 PHE -2.34 -1.50 1 140 TYR 1.29 -0.11 1 141 ALA -0.51 -0.09 1 142 LYS -4.39 -2.03 1 143 GLU 5.44 5.51 1 144 ALA 3.01 2.77 1 145 ASP 1.98 2.95 1 146 TYR 5.67 4.78 1 147 VAL 4.41 4.06 1 148 ALA 3.88 2.94 1 149 HIS 6.30 5.31 1 150 ALA 5.74 3.74 1 151 THR 6.24 5.04 1 152 GLN 3.85 3.28 1 153 LEU 4.21 2.91 1 154 ARG 5.92 5.21 1 155 THR 5.74 4.75 1 156 THR 6.34 5.27 1 157 LEU 0.67 -0.08 1 158 GLU 2.46 1.99 1 160 THR 0.39 0.37 1 162 ALA -0.63 1.06 1 163 THR -3.05 -1.87 1 164 TYR -5.31 -2.60 1 165 GLN 0.58 0.80 1 167 ASP 0.89 0.20 1 168 VAL -3.80 -2.32 1 169 TYR -1.33 -1.09 1 170 TYR -5.27 -2.09 1 172 ALA -4.82 -2.05 1 174 TYR 0.58 1.94 1 175 ASP -3.24 0.96 1 178 MET 2.56 0.21 1 179 LYS -2.37 -0.39 1 181 TYR -4.19 -2.39 1 185 ASN -6.29 -2.59 1 186 GLU -7.75 -2.30 1 187 VAL -3.27 -0.50 1 188 TRP -7.55 -5.07 1 189 LEU -1.93 -1.55 1 190 VAL 0.90 0.90 1 191 LYS 0.68 1.76 1 192 ALA -1.27 0.65 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr7231_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.51 _LACS_plot.Line_1_terminator_val_y_1 5.00 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.83 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.63 _LACS_plot.Line_2_terminator_val_x_2 9.16 _LACS_plot.Line_2_terminator_val_y_2 -2.21 _LACS_plot.Y_axis_chem_shift_offset -0.20 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 124 ILE -0.12 -3.42 0 10 SER -0.14 0.21 1 11 LEU 0.51 0.07 1 12 PHE 0.07 -0.31 1 14 SER -0.15 0.23 1 15 VAL -2.85 1.76 1 16 GLU -6.54 3.80 1 17 THR 2.01 -0.61 1 20 TRP -4.52 2.06 1 21 GLN -4.54 2.65 1 22 VAL 3.19 -1.67 1 23 LEU 0.32 0.48 1 24 SER -0.48 0.87 1 25 THR -4.23 2.40 1 28 LYS -2.37 2.40 1 29 GLU 3.83 -2.05 1 30 ASP 1.51 -0.69 1 31 VAL -0.11 0.07 1 32 SER -3.20 1.93 1 33 TYR -6.03 4.22 1 34 GLU -6.30 4.29 1 35 GLU -4.22 1.84 1 36 ARG -6.62 4.26 1 37 ALA -0.77 -0.62 1 39 GLU 0.85 1.11 1 42 LYS -1.52 1.37 1 43 PHE -5.70 4.40 1 44 ALA -3.34 1.19 1 45 THR -6.42 2.13 1 46 VAL -5.14 4.36 1 47 GLU -4.10 2.61 1 48 VAL -3.18 2.56 1 49 THR -2.12 1.39 1 50 ASP 4.04 -1.50 1 51 LYS -3.30 2.69 1 53 VAL 6.08 -0.39 1 54 ASP 4.68 -0.11 1 55 GLU 1.27 0.55 1 56 ALA 2.67 0.08 1 57 LEU 3.32 -0.13 1 58 ARG 3.26 -0.55 1 59 GLU 0.41 0.59 1 60 ALA 0.81 1.81 1 61 MET 9.16 -4.35 1 63 LYS 4.00 -0.50 1 64 ILE 3.80 -3.07 1 65 MET 4.21 -2.55 1 66 LYS 4.66 -1.21 1 67 TYR 4.48 -1.08 1 68 VAL 3.29 -1.68 1 71 THR 3.13 -3.70 1 72 ASN -4.07 3.16 1 73 ASP 3.45 -0.63 1 74 LYS -2.49 0.83 1 76 VAL -4.17 1.96 1 78 MET -3.53 3.60 1 80 MET -4.04 2.48 1 81 THR 0.09 -0.27 1 84 VAL 1.22 -0.23 1 85 SER -8.51 6.42 1 86 PHE -2.75 0.75 1 87 ALA -3.43 2.28 1 88 VAL -4.23 1.20 1 89 PHE -2.18 1.83 1 91 ASN -2.34 1.75 1 92 GLU 3.88 -0.59 1 93 ASP 0.21 -0.96 1 95 SER -0.16 0.53 1 96 LEU -0.43 -0.19 1 97 GLN -0.52 1.12 1 98 LYS 3.06 -3.64 1 99 LYS -2.01 2.45 1 100 LEU -4.30 4.54 1 101 LYS -3.33 3.38 1 102 VAL 0.91 0.72 1 103 TRP -0.52 0.84 1 104 PHE -3.85 1.45 1 105 ARG 3.52 -2.74 1 106 ILE 1.51 -1.83 1 108 ASN 4.72 -0.49 1 109 GLN 3.54 -0.97 1 110 PHE -1.61 1.74 1 111 GLN 4.64 -0.75 1 113 SER -0.83 -0.48 1 116 ALA -0.46 0.26 1 118 SER 1.74 -0.63 1 119 ASP -2.04 0.80 1 120 GLU 2.37 -0.67 1 121 SER 1.92 0.05 1 122 VAL 0.28 -1.40 1 123 LYS -4.01 1.34 1 125 GLU -6.47 5.09 1 126 GLU -4.16 2.48 1 127 ARG -4.10 4.00 1 128 GLU -1.13 0.66 1 130 ILE -5.08 3.70 1 131 THR -0.11 -0.70 1 132 VAL -8.36 3.05 1 133 TYR -2.64 1.48 1 134 SER -3.64 1.45 1 135 THR -1.99 1.43 1 136 GLN -5.83 4.39 1 137 PHE -2.34 0.84 1 140 TYR 1.29 -1.40 1 141 ALA -0.51 0.42 1 142 LYS -4.39 2.36 1 143 GLU 5.44 0.07 1 144 ALA 3.01 -0.24 1 145 ASP 1.98 0.97 1 146 TYR 5.67 -0.89 1 147 VAL 4.41 -0.35 1 148 ALA 3.88 -0.94 1 149 HIS 6.30 -0.99 1 150 ALA 5.74 -2.00 1 151 THR 6.24 -1.20 1 152 GLN 3.85 -0.57 1 153 LEU 4.21 -1.30 1 154 ARG 5.92 -0.71 1 155 THR 5.74 -0.99 1 156 THR 6.34 -1.07 1 157 LEU 0.67 -0.75 1 158 GLU 2.46 -0.47 1 160 THR 0.39 -0.02 1 162 ALA -0.63 1.69 1 163 THR -3.05 1.18 1 164 TYR -5.31 2.71 1 165 GLN 0.58 0.22 1 167 ASP 0.89 -0.69 1 168 VAL -3.80 1.48 1 169 TYR -1.33 0.24 1 170 TYR -5.27 3.18 1 172 ALA -4.82 2.77 1 174 TYR 0.58 1.36 1 175 ASP -3.24 4.20 1 178 MET 2.56 -2.35 1 179 LYS -2.37 1.98 1 181 TYR -4.19 1.80 1 185 ASN -6.29 3.70 1 186 GLU -7.75 5.45 1 187 VAL -3.27 2.77 1 188 TRP -7.55 2.48 1 189 LEU -1.93 0.38 1 190 VAL 0.90 0.00 1 191 LYS 0.68 1.08 1 192 ALA -1.27 1.92 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr7231_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -8.51 _LACS_plot.Line_1_terminator_val_y_1 1.14 _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 0.35 _LACS_plot.Line_2_terminator_val_x_2 9.16 _LACS_plot.Line_2_terminator_val_y_2 -0.87 _LACS_plot.Y_axis_chem_shift_offset -0.13 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 124 ILE -0.12 1.21 0 134 SER -3.64 1.65 0 61 MET 9.16 -0.16 0 10 SER -0.14 0.03 1 11 LEU 0.51 -0.05 1 12 PHE 0.07 -0.01 1 14 SER -0.15 0.09 1 15 VAL -2.85 0.75 1 17 THR 2.01 0.43 1 20 TRP -4.52 0.72 1 21 GLN -4.54 0.54 1 22 VAL 3.19 0.04 1 23 LEU 0.32 -0.02 1 24 SER -0.48 0.18 1 25 THR -4.23 0.45 1 28 LYS -2.37 0.19 1 29 GLU 3.83 -0.49 1 30 ASP 1.51 -0.03 1 31 VAL -0.11 0.26 1 32 SER -3.20 0.79 1 33 TYR -6.03 1.45 1 34 GLU -6.30 0.48 1 35 GLU -4.22 0.87 1 36 ARG -6.62 0.79 1 37 ALA -0.77 0.53 1 39 GLU 0.85 -0.05 1 42 LYS -1.52 0.76 1 43 PHE -5.70 0.54 1 44 ALA -3.34 1.23 1 45 THR -6.42 0.97 1 46 VAL -5.14 0.29 1 47 GLU -4.10 0.84 1 48 VAL -3.18 0.35 1 49 THR -2.12 0.46 1 50 ASP 4.04 -0.24 1 51 LYS -3.30 0.30 1 53 VAL 6.08 -0.61 1 54 ASP 4.68 -0.17 1 55 GLU 1.27 -0.26 1 56 ALA 2.67 -0.49 1 57 LEU 3.32 -0.68 1 58 ARG 3.26 -0.29 1 59 GLU 0.41 -0.09 1 60 ALA 0.81 -0.30 1 63 LYS 4.00 -0.29 1 64 ILE 3.80 -0.51 1 65 MET 4.21 -0.30 1 66 LYS 4.66 -0.28 1 67 TYR 4.48 -0.09 1 68 VAL 3.29 -0.41 1 71 THR 3.13 0.14 1 72 ASN -4.07 0.46 1 73 ASP 3.45 -0.37 1 74 LYS -2.49 0.23 1 76 VAL -4.17 0.24 1 78 MET -3.53 -0.16 1 80 MET -4.04 0.55 1 81 THR 0.09 0.69 1 84 VAL 1.22 0.58 1 85 SER -8.51 1.40 1 86 PHE -2.75 1.16 1 87 ALA -3.43 -0.04 1 88 VAL -4.23 0.34 1 89 PHE -2.18 0.17 1 91 ASN -2.34 0.28 1 92 GLU 3.88 -0.27 1 93 ASP 0.21 -0.10 1 95 SER -0.16 -0.14 1 96 LEU -0.43 0.40 1 97 GLN -0.52 -0.04 1 98 LYS 3.06 0.09 1 99 LYS -2.01 0.46 1 100 LEU -4.30 1.01 1 101 LYS -3.33 1.19 1 102 VAL 0.91 0.26 1 103 TRP -0.52 -0.04 1 104 PHE -3.85 0.83 1 106 ILE 1.51 -0.63 1 108 ASN 4.72 -0.45 1 109 GLN 3.54 -0.46 1 110 PHE -1.61 -0.01 1 111 GLN 4.64 -1.06 1 113 SER -0.83 -0.12 1 116 ALA -0.46 0.06 1 118 SER 1.74 0.04 1 119 ASP -2.04 -0.03 1 120 GLU 2.37 -0.21 1 121 SER 1.92 -0.15 1 122 VAL 0.28 0.39 1 123 LYS -4.01 0.24 1 125 GLU -6.47 0.59 1 126 GLU -4.16 1.19 1 127 ARG -4.10 0.31 1 128 GLU -1.13 0.25 1 130 ILE -5.08 0.53 1 131 THR -0.11 1.16 1 132 VAL -8.36 1.19 1 133 TYR -2.64 0.42 1 135 THR -1.99 0.79 1 136 GLN -5.83 1.61 1 137 PHE -2.34 0.41 1 140 TYR 1.29 0.01 1 141 ALA -0.51 0.17 1 142 LYS -4.39 0.65 1 143 GLU 5.44 -0.22 1 144 ALA 3.01 -0.17 1 145 ASP 1.98 -0.07 1 146 TYR 5.67 -0.18 1 147 VAL 4.41 -0.23 1 148 ALA 3.88 -0.21 1 149 HIS 6.30 -0.64 1 150 ALA 5.74 -0.53 1 151 THR 6.24 -0.61 1 152 GLN 3.85 -0.29 1 153 LEU 4.21 -0.37 1 154 ARG 5.92 -0.97 1 155 THR 5.74 -0.41 1 156 THR 6.34 -0.48 1 157 LEU 0.67 -0.38 1 158 GLU 2.46 -0.21 1 160 THR 0.39 0.43 1 162 ALA -0.63 -0.11 1 163 THR -3.05 0.01 1 164 TYR -5.31 1.20 1 165 GLN 0.58 0.07 1 167 ASP 0.89 0.04 1 168 VAL -3.80 0.59 1 169 TYR -1.33 -0.03 1 170 TYR -5.27 1.05 1 172 ALA -4.82 0.86 1 174 TYR 0.58 0.00 1 175 ASP -3.24 0.45 1 178 MET 2.56 0.05 1 179 LYS -2.37 0.06 1 181 TYR -4.19 0.41 1 185 ASN -6.29 0.76 1 186 GLU -7.75 1.60 1 187 VAL -3.27 0.70 1 188 TRP -7.55 1.12 1 189 LEU -1.93 0.72 1 190 VAL 0.90 0.00 1 191 LYS 0.68 0.27 1 192 ALA -1.27 -0.06 1 stop_ save_