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 bmr17507_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.62 _LACS_plot.Line_1_terminator_val_y_1 -4.08 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 0.40 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -2.02 _LACS_plot.Line_2_terminator_val_x_2 9.44 _LACS_plot.Line_2_terminator_val_y_2 6.74 _LACS_plot.Y_axis_chem_shift_offset 0.46 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 169 VAL -6.25 2.60 0 170 GLU -7.73 1.97 0 10 LEU -2.87 -1.44 1 11 ALA -7.51 -3.49 1 12 LYS 3.44 1.94 1 14 ALA -1.01 -0.47 1 15 GLU 0.38 0.04 1 17 MET 5.47 5.51 1 18 GLU 1.36 -0.48 1 19 THR 5.28 3.88 1 20 VAL 6.06 4.55 1 21 ILE 7.12 5.70 1 23 VAL 5.15 2.48 1 24 ASP 7.77 5.62 1 25 VAL 5.01 5.45 1 26 MET 6.73 4.84 1 27 ARG 4.97 3.30 1 28 ARG -2.37 -0.92 1 29 ALA 0.99 -0.14 1 31 ILE 1.19 -0.82 1 32 LYS -1.42 -1.63 1 33 VAL -0.32 -0.04 1 34 THR 2.61 -0.36 1 35 VAL -6.35 -3.83 1 36 ALA 3.28 3.22 1 38 LEU -0.62 -1.13 1 39 ALA 0.09 -0.54 1 41 LYS 3.34 1.25 1 42 ASP -1.12 -0.31 1 44 VAL 2.13 0.62 1 45 GLN 4.14 3.44 1 47 SER 3.45 -0.61 1 48 ARG 5.33 2.38 1 49 ASP 4.78 1.99 1 50 VAL -0.54 -1.05 1 51 VAL -5.89 -3.51 1 52 ILE 1.22 2.57 1 55 ASP -5.69 -1.98 1 56 ALA -1.79 -1.32 1 57 SER 4.59 2.91 1 58 LEU 3.86 2.69 1 59 GLU 3.95 2.55 1 60 ASP 2.64 1.85 1 61 ALA 4.74 3.06 1 62 LYS 2.51 1.28 1 63 LYS -1.13 -1.80 1 64 GLU -1.09 0.04 1 67 TYR 2.17 3.53 1 68 ASP -3.62 -3.02 1 69 VAL -1.89 -1.36 1 70 VAL -1.80 -1.48 1 71 VAL -1.32 -2.57 1 72 LEU 4.15 1.87 1 77 LEU 4.14 2.60 1 79 ALA 5.58 3.57 1 80 GLN 4.32 3.13 1 81 ASN 3.10 2.99 1 82 LEU 4.63 3.96 1 83 SER -0.80 -0.71 1 84 GLU -0.48 -1.33 1 85 SER 3.31 1.83 1 86 ALA 3.32 1.86 1 87 ALA 6.21 3.80 1 88 VAL 6.94 4.42 1 89 LYS 3.27 2.57 1 90 GLU 3.60 2.67 1 91 ILE 3.65 2.46 1 92 LEU 3.82 1.83 1 93 LYS 3.78 2.66 1 94 GLU 4.63 2.40 1 95 GLN 3.07 2.80 1 96 GLU 3.45 2.98 1 97 ASN 0.72 -0.49 1 98 ARG 6.41 0.94 1 99 LYS 0.63 0.68 1 101 LEU -1.08 0.44 1 102 ILE -7.32 -4.06 1 103 ALA -5.42 -2.05 1 104 ALA -5.37 -3.93 1 105 ILE 0.40 -0.35 1 107 ALA 5.11 3.55 1 110 THR 3.27 1.60 1 111 ALA 6.51 2.29 1 112 LEU 4.84 2.88 1 113 LEU 3.07 2.03 1 114 ALA -1.89 -0.31 1 115 HIS 3.77 -0.52 1 116 GLU -1.71 -4.19 1 117 ILE 3.59 -1.19 1 119 PHE 0.82 1.31 1 121 SER -0.09 -0.84 1 122 LYS -7.39 -4.29 1 123 VAL -2.77 -1.59 1 124 THR -8.62 -2.43 1 125 THR 3.77 5.73 1 126 HIS 3.83 1.68 1 128 LEU -1.37 -1.53 1 129 ALA 5.13 4.12 1 130 LYS 5.09 3.05 1 131 ASP 3.95 2.60 1 132 LYS 1.08 0.72 1 133 MET 0.68 -2.23 1 134 MET 3.02 2.32 1 135 ASN 2.66 0.78 1 138 HIS -6.19 -1.75 1 139 TYR -0.51 -0.02 1 140 THR 1.18 1.74 1 141 TYR -5.15 -3.73 1 142 SER -0.69 -1.92 1 143 GLU 0.92 0.24 1 144 ASN 4.96 4.47 1 145 ARG -2.14 -0.75 1 146 VAL -5.57 -3.18 1 147 GLU -1.76 -0.49 1 148 LYS -2.68 -1.34 1 149 ASP 1.63 -0.61 1 151 LEU 0.53 -2.00 1 152 ILE -4.19 -1.09 1 153 LEU -6.34 -3.22 1 154 THR -4.06 -2.34 1 155 SER 3.99 5.98 1 156 ARG 1.58 -0.07 1 160 THR 7.21 5.66 1 162 PHE 4.30 3.45 1 163 GLU 1.80 1.84 1 164 PHE 2.58 2.36 1 165 ALA 4.78 2.41 1 166 LEU 3.43 2.13 1 167 ALA 6.22 4.65 1 168 ILE 7.16 4.75 1 171 ALA 2.60 1.87 1 172 LEU -2.13 -0.02 1 173 ASN 4.24 3.42 1 175 LYS 5.29 3.07 1 176 GLU 5.71 3.48 1 177 VAL 5.07 3.22 1 178 ALA 4.18 2.60 1 179 ALA 4.17 2.54 1 180 GLN 3.90 2.03 1 181 VAL 3.54 2.97 1 182 LYS 9.44 6.58 1 183 ALA 2.59 0.99 1 185 LEU 5.29 0.94 1 186 VAL -0.19 -0.68 1 187 LEU 0.86 0.29 1 188 LYS 0.02 0.08 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17507_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.62 _LACS_plot.Line_1_terminator_val_y_1 4.54 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -1.59 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.02 _LACS_plot.Line_2_terminator_val_x_2 9.44 _LACS_plot.Line_2_terminator_val_y_2 -2.70 _LACS_plot.Y_axis_chem_shift_offset 0.46 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 169 VAL -6.25 8.85 0 170 GLU -7.73 9.70 0 10 LEU -2.87 1.43 1 11 ALA -7.51 4.02 1 12 LYS 3.44 -1.50 1 14 ALA -1.01 0.54 1 15 GLU 0.38 -0.34 1 17 MET 5.47 0.04 1 18 GLU 1.36 -1.84 1 19 THR 5.28 -1.40 1 20 VAL 6.06 -1.51 1 21 ILE 7.12 -1.42 1 23 VAL 5.15 -2.67 1 24 ASP 7.77 -2.15 1 25 VAL 5.01 0.44 1 26 MET 6.73 -1.89 1 27 ARG 4.97 -1.67 1 28 ARG -2.37 1.45 1 29 ALA 0.99 -1.13 1 31 ILE 1.19 -2.01 1 32 LYS -1.42 -0.21 1 33 VAL -0.32 0.28 1 34 THR 2.61 -2.97 1 35 VAL -6.35 2.52 1 36 ALA 3.28 -0.06 1 38 LEU -0.62 -0.51 1 39 ALA 0.09 -0.63 1 41 LYS 3.34 -2.09 1 42 ASP -1.12 0.81 1 44 VAL 2.13 -1.51 1 45 GLN 4.14 -0.70 1 47 SER 3.45 -4.06 1 48 ARG 5.33 -2.95 1 49 ASP 4.78 -2.79 1 50 VAL -0.54 -0.51 1 51 VAL -5.89 2.38 1 52 ILE 1.22 1.35 1 55 ASP -5.69 3.71 1 56 ALA -1.79 0.47 1 57 SER 4.59 -1.68 1 58 LEU 3.86 -1.17 1 59 GLU 3.95 -1.40 1 60 ASP 2.64 -0.79 1 61 ALA 4.74 -1.68 1 62 LYS 2.51 -1.23 1 63 LYS -1.13 -0.67 1 64 GLU -1.09 1.13 1 67 TYR 2.17 1.36 1 68 ASP -3.62 0.60 1 69 VAL -1.89 0.53 1 70 VAL -1.80 0.32 1 71 VAL -1.32 -1.25 1 72 LEU 4.15 -2.28 1 77 LEU 4.14 -1.54 1 79 ALA 5.58 -2.01 1 80 GLN 4.32 -1.19 1 81 ASN 3.10 -0.11 1 82 LEU 4.63 -0.67 1 83 SER -0.80 0.09 1 84 GLU -0.48 -0.85 1 85 SER 3.31 -1.48 1 86 ALA 3.32 -1.46 1 87 ALA 6.21 -2.41 1 88 VAL 6.94 -2.52 1 89 LYS 3.27 -0.70 1 90 GLU 3.60 -0.93 1 91 ILE 3.65 -1.19 1 92 LEU 3.82 -1.99 1 93 LYS 3.78 -1.12 1 94 GLU 4.63 -2.23 1 95 GLN 3.07 -0.27 1 96 GLU 3.45 -0.47 1 97 ASN 0.72 -1.21 1 98 ARG 6.41 -5.47 1 99 LYS 0.63 0.05 1 101 LEU -1.08 1.52 1 102 ILE -7.32 3.26 1 103 ALA -5.42 3.37 1 104 ALA -5.37 1.44 1 105 ILE 0.40 -0.75 1 107 ALA 5.11 -1.56 1 110 THR 3.27 -1.67 1 111 ALA 6.51 -4.22 1 112 LEU 4.84 -1.96 1 113 LEU 3.07 -1.04 1 114 ALA -1.89 1.58 1 115 HIS 3.77 -4.29 1 116 GLU -1.71 -2.48 1 117 ILE 3.59 -4.78 1 119 PHE 0.82 0.49 1 121 SER -0.09 -0.75 1 122 LYS -7.39 3.10 1 123 VAL -2.77 1.18 1 124 THR -8.62 6.19 1 125 THR 3.77 1.96 1 126 HIS 3.83 -2.15 1 128 LEU -1.37 -0.16 1 129 ALA 5.13 -1.01 1 130 LYS 5.09 -2.04 1 131 ASP 3.95 -1.35 1 132 LYS 1.08 -0.36 1 133 MET 0.68 -2.91 1 134 MET 3.02 -0.70 1 135 ASN 2.66 -1.88 1 138 HIS -6.19 4.44 1 139 TYR -0.51 0.49 1 140 THR 1.18 0.56 1 141 TYR -5.15 1.42 1 142 SER -0.69 -1.23 1 143 GLU 0.92 -0.68 1 144 ASN 4.96 -0.49 1 145 ARG -2.14 1.39 1 146 VAL -5.57 2.39 1 147 GLU -1.76 1.27 1 148 LYS -2.68 1.34 1 149 ASP 1.63 -2.24 1 151 LEU 0.53 -2.53 1 152 ILE -4.19 3.10 1 153 LEU -6.34 3.12 1 154 THR -4.06 1.72 1 155 SER 3.99 1.99 1 156 ARG 1.58 -1.65 1 160 THR 7.21 -1.55 1 162 PHE 4.30 -0.85 1 163 GLU 1.80 0.04 1 164 PHE 2.58 -0.22 1 165 ALA 4.78 -2.37 1 166 LEU 3.43 -1.30 1 167 ALA 6.22 -1.57 1 168 ILE 7.16 -2.41 1 171 ALA 2.60 -0.73 1 172 LEU -2.13 2.11 1 173 ASN 4.24 -0.82 1 175 LYS 5.29 -2.22 1 176 GLU 5.71 -2.23 1 177 VAL 5.07 -1.85 1 178 ALA 4.18 -1.58 1 179 ALA 4.17 -1.63 1 180 GLN 3.90 -1.87 1 181 VAL 3.54 -0.57 1 182 LYS 9.44 -2.86 1 183 ALA 2.59 -1.60 1 185 LEU 5.29 -4.35 1 186 VAL -0.19 -0.49 1 187 LEU 0.86 -0.57 1 188 LYS 0.02 0.06 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17507_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -8.62 _LACS_plot.Line_1_terminator_val_y_1 -3.10 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 0.27 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.35 _LACS_plot.Line_2_terminator_val_x_2 9.44 _LACS_plot.Line_2_terminator_val_y_2 2.71 _LACS_plot.Y_axis_chem_shift_offset 0.50 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 26 MET 6.73 5.95 0 124 THR -8.62 -0.46 0 169 VAL -6.25 2.01 0 170 GLU -7.73 0.95 0 10 LEU -2.87 -4.43 1 11 ALA -7.51 -1.56 1 12 LYS 3.44 0.18 1 14 ALA -1.01 -1.29 1 15 GLU 0.38 2.50 1 17 MET 5.47 1.15 1 18 GLU 1.36 -2.41 1 19 THR 5.28 0.82 1 20 VAL 6.06 0.11 1 21 ILE 7.12 -0.55 1 23 VAL 5.15 0.05 1 24 ASP 7.77 0.83 1 25 VAL 5.01 2.02 1 27 ARG 4.97 1.35 1 28 ARG -2.37 -1.55 1 29 ALA 0.99 -0.67 1 31 ILE 1.19 -0.90 1 32 LYS -1.42 -0.80 1 33 VAL -0.32 -2.03 1 34 THR 2.61 -2.02 1 35 VAL -6.35 -1.43 1 36 ALA 3.28 -0.40 1 38 LEU -0.62 -1.29 1 39 ALA 0.09 -1.52 1 41 LYS 3.34 -2.30 1 42 ASP -1.12 -2.44 1 44 VAL 2.13 -0.27 1 45 GLN 4.14 0.15 1 47 SER 3.45 -2.22 1 48 ARG 5.33 -0.01 1 49 ASP 4.78 -2.12 1 50 VAL -0.54 -1.00 1 51 VAL -5.89 -0.28 1 52 ILE 1.22 -0.11 1 55 ASP -5.69 -1.38 1 56 ALA -1.79 0.08 1 57 SER 4.59 -0.40 1 58 LEU 3.86 1.51 1 59 GLU 3.95 2.91 1 60 ASP 2.64 4.58 1 61 ALA 4.74 1.10 1 62 LYS 2.51 0.34 1 63 LYS -1.13 -0.84 1 64 GLU -1.09 -0.66 1 67 TYR 2.17 -0.72 1 68 ASP -3.62 -4.94 1 69 VAL -1.89 -2.89 1 70 VAL -1.80 -2.16 1 71 VAL -1.32 -1.92 1 72 LEU 4.15 0.85 1 77 LEU 4.14 2.50 1 79 ALA 5.58 2.04 1 80 GLN 4.32 4.18 1 81 ASN 3.10 2.48 1 82 LEU 4.63 -1.84 1 83 SER -0.80 -0.17 1 84 GLU -0.48 0.84 1 85 SER 3.31 1.71 1 86 ALA 3.32 2.60 1 87 ALA 6.21 0.20 1 88 VAL 6.94 0.61 1 89 LYS 3.27 2.90 1 90 GLU 3.60 2.22 1 91 ILE 3.65 0.70 1 92 LEU 3.82 3.05 1 93 LYS 3.78 2.07 1 94 GLU 4.63 2.17 1 95 GLN 3.07 3.97 1 96 GLU 3.45 1.55 1 97 ASN 0.72 -1.01 1 98 ARG 6.41 -0.88 1 99 LYS 0.63 -0.25 1 101 LEU -1.08 -4.06 1 102 ILE -7.32 -2.16 1 103 ALA -5.42 -4.28 1 104 ALA -5.37 -2.96 1 105 ILE 0.40 1.40 1 107 ALA 5.11 2.33 1 110 THR 3.27 1.04 1 111 ALA 6.51 0.57 1 112 LEU 4.84 2.73 1 113 LEU 3.07 0.65 1 114 ALA -1.89 -1.05 1 115 HIS 3.77 -1.52 1 116 GLU -1.71 1.02 1 117 ILE 3.59 1.99 1 119 PHE 0.82 -2.34 1 121 SER -0.09 -0.58 1 122 LYS -7.39 -4.08 1 123 VAL -2.77 -2.36 1 125 THR 3.77 5.40 1 126 HIS 3.83 0.36 1 128 LEU -1.37 -2.34 1 129 ALA 5.13 0.16 1 130 LYS 5.09 2.82 1 131 ASP 3.95 1.69 1 132 LYS 1.08 -0.17 1 133 MET 0.68 1.92 1 134 MET 3.02 1.93 1 135 ASN 2.66 -2.77 1 138 HIS -6.19 -1.32 1 139 TYR -0.51 -2.15 1 140 THR 1.18 -1.00 1 141 TYR -5.15 -2.09 1 142 SER -0.69 -0.96 1 143 GLU 0.92 -1.26 1 144 ASN 4.96 1.43 1 145 ARG -2.14 -3.56 1 146 VAL -5.57 -3.77 1 147 GLU -1.76 -2.36 1 148 LYS -2.68 -0.03 1 149 ASP 1.63 -3.19 1 151 LEU 0.53 -1.88 1 152 ILE -4.19 -1.62 1 153 LEU -6.34 -0.47 1 154 THR -4.06 0.97 1 155 SER 3.99 -1.33 1 156 ARG 1.58 1.40 1 160 THR 7.21 1.71 1 162 PHE 4.30 2.75 1 163 GLU 1.80 -0.78 1 164 PHE 2.58 1.34 1 165 ALA 4.78 0.94 1 166 LEU 3.43 3.12 1 167 ALA 6.22 0.72 1 168 ILE 7.16 1.28 1 171 ALA 2.60 -0.20 1 172 LEU -2.13 0.97 1 173 ASN 4.24 2.03 1 175 LYS 5.29 2.76 1 176 GLU 5.71 1.71 1 177 VAL 5.07 0.48 1 178 ALA 4.18 3.08 1 179 ALA 4.17 3.20 1 180 GLN 3.90 0.89 1 181 VAL 3.54 2.67 1 182 LYS 9.44 1.25 1 183 ALA 2.59 -1.16 1 185 LEU 5.29 -0.59 1 186 VAL -0.19 -0.57 1 187 LEU 0.86 -0.77 1 188 LYS 0.02 -0.50 1 stop_ save_