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 bmr30322_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.08 _LACS_plot.Line_1_terminator_val_y_1 -2.90 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.39 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.70 _LACS_plot.Line_2_terminator_val_x_2 8.78 _LACS_plot.Line_2_terminator_val_y_2 6.06 _LACS_plot.Y_axis_chem_shift_offset 0.26 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 78 ARG -8.08 -1.13 0 36 HIS 8.78 2.85 0 65 ALA -7.43 -0.56 0 10 SER -7.91 -3.71 1 11 ILE 0.56 1.58 1 12 ASN 3.33 1.19 1 13 ASN 1.85 1.29 1 14 ALA -1.09 1.01 1 16 LEU -4.75 -1.49 1 18 SER -2.61 -0.74 1 19 VAL 1.96 1.65 1 21 PHE -6.64 -0.97 1 22 SER 2.31 2.20 1 23 VAL -6.69 -2.44 1 24 THR -4.93 -2.31 1 25 ARG -0.76 -1.05 1 27 ALA 0.39 0.24 1 28 THR 1.96 1.98 1 29 LYS -1.71 0.31 1 31 PHE -3.37 -0.67 1 32 VAL -3.36 -1.96 1 33 THR -2.87 -1.37 1 34 ALA 0.32 -0.42 1 39 THR -3.90 -2.94 1 40 VAL 6.27 4.31 1 41 ASN 4.25 2.84 1 42 ALA 0.58 0.69 1 43 THR 2.37 2.58 1 44 ALA -4.26 -2.52 1 45 ARG -4.99 -1.38 1 46 ILE -1.70 0.54 1 49 ALA -4.00 -2.28 1 50 VAL 3.78 2.65 1 51 VAL -1.67 -1.93 1 53 THR -6.11 -3.06 1 54 PHE 1.28 2.33 1 55 ALA 0.46 0.20 1 56 ALA -4.78 -0.78 1 57 ARG -3.36 -1.20 1 58 VAL -1.57 1.01 1 59 PHE -0.33 1.78 1 62 ASN -4.23 -0.70 1 63 ASP 1.76 0.23 1 64 ARG -7.11 -1.92 1 66 TRP -3.32 -1.40 1 67 VAL -2.00 -2.25 1 68 SER -1.89 -2.13 1 69 LEU -3.72 -2.16 1 70 THR -0.68 -0.55 1 71 SER 3.40 2.76 1 72 ALA 0.05 0.09 1 73 GLN 1.15 -1.00 1 74 THR 0.10 0.04 1 75 LEU 0.12 -0.30 1 76 LEU -3.66 -2.19 1 79 VAL -3.39 -0.73 1 80 ALA 2.01 1.59 1 81 ASN -0.15 -2.04 1 83 SER 0.92 0.41 1 84 SER -3.29 -3.20 1 85 PHE -3.48 -1.70 1 86 VAL -3.09 -1.04 1 87 THR 2.91 2.19 1 88 VAL 2.26 1.02 1 89 ARG -1.54 -0.42 1 91 SER -1.21 -1.82 1 92 THR 4.42 3.07 1 93 GLU 1.05 1.09 1 94 ALA -1.34 -1.51 1 95 ALA -2.82 -1.26 1 96 VAL 5.63 3.74 1 98 ALA -2.10 -0.45 1 99 ALA -0.64 -0.58 1 100 VAL -3.78 -1.18 1 102 ARG -0.93 -2.89 1 103 SER -5.51 -2.53 1 105 ARG 3.70 0.69 1 106 THR 3.54 2.73 1 107 THR -0.96 -0.39 1 109 TYR -3.10 -1.20 1 110 GLN -4.90 -2.58 1 113 THR -4.18 -1.23 1 114 ILE 2.01 0.92 1 115 THR 0.07 0.19 1 116 ALA -2.22 0.49 1 117 LYS -4.76 -1.18 1 118 ASN 2.33 0.74 1 119 VAL 0.34 0.50 1 120 THR -0.55 -0.61 1 121 ALA -3.56 -2.93 1 122 ASN 1.21 -1.04 1 123 TYR -0.21 -2.71 1 124 ALA 4.32 2.95 1 125 GLU 2.45 1.74 1 127 ALA 0.05 -0.29 1 128 VAL -1.46 -0.44 1 129 ARG -2.71 -1.17 1 131 LEU 0.03 0.13 1 132 THR 1.21 -0.21 1 133 GLN -6.54 -1.61 1 135 ASN -0.94 -1.70 1 136 ALA -0.64 -0.71 1 138 MET 1.67 -0.79 1 140 ARG -2.12 -3.26 1 146 SER -0.91 -0.43 1 147 TRP 0.77 -0.35 1 148 ILE -6.65 -1.18 1 149 THR -2.33 -0.98 1 150 SER 4.38 3.11 1 151 ALA -0.10 -0.42 1 153 GLN 1.31 -2.25 1 154 ALA -1.39 0.89 1 155 GLN -2.37 -0.57 1 157 VAL -6.17 -3.76 1 159 SER 0.58 1.51 1 162 ASN 2.25 -0.34 1 163 VAL 2.12 1.44 1 164 GLN -2.35 -2.21 1 165 SER 4.68 3.45 1 166 ASN 1.62 -0.37 1 168 ASN -4.18 -0.20 1 169 ASN 0.58 -1.29 1 172 ILE -0.16 -1.19 1 174 ALA 4.63 3.74 1 175 SER 3.49 2.07 1 176 GLN -1.83 -0.92 1 177 ARG 0.10 1.80 1 178 SER -0.90 -1.23 1 179 SER -1.50 -1.42 1 180 LEU -3.09 -1.16 1 181 PHE -5.51 -3.18 1 182 GLU -4.48 -2.26 1 183 ARG 2.08 2.03 1 184 LEU 0.21 1.78 1 185 GLN 4.58 4.79 1 187 ILE 6.12 3.07 1 188 LEU 3.43 2.59 1 189 SER 6.00 3.54 1 190 GLN -1.32 -1.81 1 191 TYR -5.20 -2.50 1 193 LEU -2.07 -1.78 1 194 SER -1.41 0.11 1 195 LEU 3.11 1.32 1 196 VAL -3.97 -1.93 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr30322_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.08 _LACS_plot.Line_1_terminator_val_y_1 5.18 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.61 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.30 _LACS_plot.Line_2_terminator_val_x_2 8.78 _LACS_plot.Line_2_terminator_val_y_2 -2.72 _LACS_plot.Y_axis_chem_shift_offset 0.26 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 78 ARG -8.08 6.95 0 36 HIS 8.78 -5.93 0 65 ALA -7.43 6.87 0 10 SER -7.91 4.20 1 11 ILE 0.56 1.02 1 12 ASN 3.33 -2.14 1 13 ASN 1.85 -0.56 1 14 ALA -1.09 2.10 1 16 LEU -4.75 3.26 1 18 SER -2.61 1.87 1 19 VAL 1.96 -0.31 1 21 PHE -6.64 5.67 1 22 SER 2.31 -0.11 1 23 VAL -6.69 4.25 1 24 THR -4.93 2.62 1 25 ARG -0.76 -0.29 1 27 ALA 0.39 -0.15 1 28 THR 1.96 0.02 1 29 LYS -1.71 2.02 1 31 PHE -3.37 2.70 1 32 VAL -3.36 1.40 1 33 THR -2.87 1.50 1 34 ALA 0.32 -0.74 1 39 THR -3.90 0.96 1 40 VAL 6.27 -1.96 1 41 ASN 4.25 -1.41 1 42 ALA 0.58 0.11 1 43 THR 2.37 0.21 1 44 ALA -4.26 1.74 1 45 ARG -4.99 3.61 1 46 ILE -1.70 2.24 1 49 ALA -4.00 1.72 1 50 VAL 3.78 -1.13 1 51 VAL -1.67 -0.26 1 53 THR -6.11 3.05 1 54 PHE 1.28 1.05 1 55 ALA 0.46 -0.26 1 56 ALA -4.78 4.00 1 57 ARG -3.36 2.16 1 58 VAL -1.57 2.58 1 59 PHE -0.33 2.11 1 62 ASN -4.23 3.53 1 63 ASP 1.76 -1.53 1 64 ARG -7.11 5.19 1 66 TRP -3.32 1.92 1 67 VAL -2.00 -0.25 1 68 SER -1.89 -0.24 1 69 LEU -3.72 1.56 1 70 THR -0.68 0.13 1 71 SER 3.40 -0.64 1 72 ALA 0.05 0.04 1 73 GLN 1.15 -2.15 1 74 THR 0.10 -0.06 1 75 LEU 0.12 -0.42 1 76 LEU -3.66 1.47 1 79 VAL -3.39 2.66 1 80 ALA 2.01 -0.42 1 81 ASN -0.15 -1.89 1 83 SER 0.92 -0.51 1 84 SER -3.29 0.09 1 85 PHE -3.48 1.78 1 86 VAL -3.09 2.05 1 87 THR 2.91 -0.72 1 88 VAL 2.26 -1.24 1 89 ARG -1.54 1.12 1 91 SER -1.21 -0.61 1 92 THR 4.42 -1.35 1 93 GLU 1.05 0.04 1 94 ALA -1.34 -0.17 1 95 ALA -2.82 1.56 1 96 VAL 5.63 -1.89 1 98 ALA -2.10 1.65 1 99 ALA -0.64 0.06 1 100 VAL -3.78 2.60 1 102 ARG -0.93 -1.96 1 103 SER -5.51 2.98 1 105 ARG 3.70 -3.01 1 106 THR 3.54 -0.81 1 107 THR -0.96 0.57 1 109 TYR -3.10 1.90 1 110 GLN -4.90 2.32 1 113 THR -4.18 2.95 1 114 ILE 2.01 -1.09 1 115 THR 0.07 0.12 1 116 ALA -2.22 2.71 1 117 LYS -4.76 3.58 1 118 ASN 2.33 -1.59 1 119 VAL 0.34 0.16 1 120 THR -0.55 -0.06 1 121 ALA -3.56 0.63 1 122 ASN 1.21 -2.25 1 123 TYR -0.21 -2.50 1 124 ALA 4.32 -1.37 1 125 GLU 2.45 -0.71 1 127 ALA 0.05 -0.34 1 128 VAL -1.46 1.02 1 129 ARG -2.71 1.54 1 131 LEU 0.03 0.10 1 132 THR 1.21 -1.42 1 133 GLN -6.54 4.93 1 135 ASN -0.94 -0.76 1 136 ALA -0.64 -0.07 1 138 MET 1.67 -2.46 1 140 ARG -2.12 -1.14 1 146 SER -0.91 0.48 1 147 TRP 0.77 -1.12 1 148 ILE -6.65 5.47 1 149 THR -2.33 1.35 1 150 SER 4.38 -1.27 1 151 ALA -0.10 -0.32 1 153 GLN 1.31 -3.56 1 154 ALA -1.39 2.28 1 155 GLN -2.37 1.80 1 157 VAL -6.17 2.41 1 159 SER 0.58 0.93 1 162 ASN 2.25 -2.59 1 163 VAL 2.12 -0.68 1 164 GLN -2.35 0.14 1 165 SER 4.68 -1.23 1 166 ASN 1.62 -1.99 1 168 ASN -4.18 3.98 1 169 ASN 0.58 -1.87 1 172 ILE -0.16 -1.03 1 174 ALA 4.63 -0.89 1 175 SER 3.49 -1.42 1 176 GLN -1.83 0.91 1 177 ARG 0.10 1.70 1 178 SER -0.90 -0.33 1 179 SER -1.50 0.08 1 180 LEU -3.09 1.93 1 181 PHE -5.51 2.33 1 182 GLU -4.48 2.22 1 183 ARG 2.08 -0.05 1 184 LEU 0.21 1.57 1 185 GLN 4.58 0.21 1 187 ILE 6.12 -3.05 1 188 LEU 3.43 -0.84 1 189 SER 6.00 -2.46 1 190 GLN -1.32 -0.49 1 191 TYR -5.20 2.70 1 193 LEU -2.07 0.29 1 194 SER -1.41 1.52 1 195 LEU 3.11 -1.79 1 196 VAL -3.97 2.04 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr30322_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -8.08 _LACS_plot.Line_1_terminator_val_y_1 0.98 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.18 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.26 _LACS_plot.Line_2_terminator_val_x_2 8.78 _LACS_plot.Line_2_terminator_val_y_2 -0.96 _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 67 VAL -2.00 -0.88 0 36 HIS 8.78 -1.19 0 63 ASP 1.76 1.04 0 10 SER -7.91 1.12 1 11 ILE 0.56 0.62 1 12 ASN 3.33 -0.20 1 13 ASN 1.85 -0.57 1 14 ALA -1.09 0.26 1 16 LEU -4.75 0.70 1 18 SER -2.61 1.21 1 19 VAL 1.96 -1.25 1 21 PHE -6.64 0.58 1 22 SER 2.31 0.24 1 23 VAL -6.69 1.11 1 24 THR -4.93 0.53 1 25 ARG -0.76 -0.05 1 27 ALA 0.39 -0.08 1 28 THR 1.96 -0.23 1 29 LYS -1.71 -0.01 1 31 PHE -3.37 1.15 1 32 VAL -3.36 1.05 1 33 THR -2.87 0.76 1 34 ALA 0.32 0.21 1 39 THR -3.90 -0.31 1 40 VAL 6.27 -1.08 1 41 ASN 4.25 -0.56 1 42 ALA 0.58 0.07 1 43 THR 2.37 -0.02 1 44 ALA -4.26 1.56 1 45 ARG -4.99 1.11 1 46 ILE -1.70 0.22 1 49 ALA -4.00 0.36 1 50 VAL 3.78 -0.28 1 51 VAL -1.67 0.66 1 53 THR -6.11 1.00 1 54 PHE 1.28 -1.01 1 55 ALA 0.46 -0.42 1 56 ALA -4.78 -0.03 1 57 ARG -3.36 1.07 1 58 VAL -1.57 0.16 1 59 PHE -0.33 0.50 1 62 ASN -4.23 0.87 1 64 ARG -7.11 1.14 1 65 ALA -7.43 0.66 1 66 TRP -3.32 0.40 1 68 SER -1.89 -0.02 1 69 LEU -3.72 0.96 1 70 THR -0.68 0.15 1 71 SER 3.40 -0.40 1 72 ALA 0.05 -0.12 1 73 GLN 1.15 -0.10 1 74 THR 0.10 -0.01 1 75 LEU 0.12 -0.02 1 76 LEU -3.66 0.28 1 78 ARG -8.08 1.24 1 79 VAL -3.39 -0.08 1 80 ALA 2.01 -0.40 1 81 ASN -0.15 -0.50 1 83 SER 0.92 -0.09 1 84 SER -3.29 0.01 1 85 PHE -3.48 0.53 1 86 VAL -3.09 0.13 1 87 THR 2.91 0.28 1 88 VAL 2.26 -0.27 1 89 ARG -1.54 0.34 1 91 SER -1.21 0.48 1 92 THR 4.42 -0.46 1 93 GLU 1.05 -0.07 1 94 ALA -1.34 0.04 1 95 ALA -2.82 -0.18 1 96 VAL 5.63 -0.87 1 98 ALA -2.10 0.00 1 99 ALA -0.64 0.54 1 100 VAL -3.78 0.27 1 102 ARG -0.93 0.67 1 103 SER -5.51 0.62 1 105 ARG 3.70 -0.05 1 106 THR 3.54 -0.03 1 107 THR -0.96 0.00 1 109 TYR -3.10 0.98 1 110 GLN -4.90 0.15 1 113 THR -4.18 1.01 1 114 ILE 2.01 0.19 1 115 THR 0.07 0.12 1 116 ALA -2.22 0.04 1 117 LYS -4.76 0.23 1 118 ASN 2.33 -1.07 1 119 VAL 0.34 -0.37 1 120 THR -0.55 0.48 1 121 ALA -3.56 -0.36 1 122 ASN 1.21 -0.14 1 123 TYR -0.21 0.20 1 124 ALA 4.32 -0.36 1 125 GLU 2.45 -0.37 1 127 ALA 0.05 0.36 1 128 VAL -1.46 -0.21 1 129 ARG -2.71 0.23 1 131 LEU 0.03 0.00 1 132 THR 1.21 -0.12 1 133 GLN -6.54 0.40 1 135 ASN -0.94 0.09 1 136 ALA -0.64 -0.27 1 138 MET 1.67 0.08 1 140 ARG -2.12 1.13 1 146 SER -0.91 -0.64 1 147 TRP 0.77 0.60 1 148 ILE -6.65 0.91 1 149 THR -2.33 0.43 1 150 SER 4.38 -0.42 1 151 ALA -0.10 0.10 1 153 GLN 1.31 0.00 1 154 ALA -1.39 -0.30 1 155 GLN -2.37 -0.02 1 157 VAL -6.17 1.36 1 159 SER 0.58 0.76 1 162 ASN 2.25 0.13 1 163 VAL 2.12 -0.75 1 164 GLN -2.35 0.17 1 165 SER 4.68 -0.37 1 166 ASN 1.62 -0.28 1 168 ASN -4.18 0.74 1 169 ASN 0.58 0.50 1 172 ILE -0.16 0.28 1 174 ALA 4.63 -0.70 1 175 SER 3.49 -0.34 1 176 GLN -1.83 0.05 1 177 ARG 0.10 -0.15 1 178 SER -0.90 -0.26 1 179 SER -1.50 0.48 1 180 LEU -3.09 0.89 1 181 PHE -5.51 0.46 1 182 GLU -4.48 0.67 1 183 ARG 2.08 0.04 1 184 LEU 0.21 -0.21 1 185 GLN 4.58 -0.86 1 187 ILE 6.12 -0.65 1 188 LEU 3.43 -0.39 1 189 SER 6.00 -0.68 1 190 GLN -1.32 0.21 1 191 TYR -5.20 0.11 1 193 LEU -2.07 0.12 1 194 SER -1.41 -0.30 1 195 LEU 3.11 -0.18 1 196 VAL -3.97 0.46 1 stop_ save_