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 bmr27947_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.71 _LACS_plot.Line_1_terminator_val_y_1 -3.77 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 0.78 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.48 _LACS_plot.Line_2_terminator_val_x_2 9.59 _LACS_plot.Line_2_terminator_val_y_2 7.35 _LACS_plot.Y_axis_chem_shift_offset 0.01 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 155 SER 3.27 6.38 0 124 THR -8.71 -2.40 0 10 LEU -3.59 -1.22 1 11 ALA -8.10 -3.40 1 12 LYS 2.73 2.06 1 14 ALA -1.48 -0.25 1 15 GLU 0.43 0.31 1 16 GLU 5.49 2.69 1 17 MET 5.05 5.98 1 18 GLU 1.59 -0.23 1 19 THR 5.05 3.87 1 20 VAL 5.76 5.09 1 21 ILE 6.77 5.85 1 23 VAL 4.67 2.49 1 24 ASP 7.31 5.82 1 25 VAL 4.55 5.80 1 26 MET 6.37 5.06 1 27 ARG 4.50 3.60 1 28 ARG -2.78 -0.80 1 29 ALA 0.58 0.16 1 31 ILE 0.65 -0.60 1 32 LYS -1.87 -1.38 1 33 VAL -0.55 0.05 1 34 THR 2.35 0.00 1 35 VAL -6.81 -3.61 1 36 ALA 2.70 3.54 1 38 LEU -1.06 -1.03 1 39 ALA -0.51 -0.46 1 41 LYS 3.29 1.42 1 42 ASP -1.57 -0.07 1 44 VAL 1.04 0.42 1 45 GLN 4.44 3.96 1 47 SER 2.64 -0.51 1 48 ARG 5.08 2.47 1 49 ASP 4.21 2.10 1 50 VAL -0.91 -0.77 1 51 VAL -5.43 -2.38 1 52 ILE 0.94 2.70 1 55 ASP -6.19 -1.90 1 56 ALA -1.83 -1.20 1 57 SER 4.03 3.16 1 58 LEU 3.59 3.07 1 59 GLU 3.54 2.59 1 60 ASP 2.29 2.02 1 61 ALA 4.23 3.28 1 62 LYS 1.88 1.47 1 63 LYS -1.56 -1.54 1 64 GLU -1.67 0.03 1 67 TYR 1.33 3.05 1 68 ASP -4.04 -2.95 1 69 VAL -2.41 -1.05 1 70 VAL -2.20 -1.30 1 71 VAL -1.46 -2.49 1 72 LEU 3.70 2.23 1 77 LEU 3.64 2.91 1 79 ALA 4.98 3.66 1 80 GLN 4.03 3.35 1 81 ASN 2.71 3.25 1 82 LEU 4.82 4.25 1 83 SER -1.05 -0.30 1 84 GLU -0.63 -1.21 1 85 SER 3.03 2.05 1 86 ALA 2.66 2.08 1 87 ALA 5.97 4.18 1 88 VAL 6.51 4.73 1 89 LYS 2.85 2.81 1 90 GLU 3.31 2.89 1 91 ILE 3.02 2.68 1 92 LEU 3.64 2.35 1 93 LYS 3.30 2.85 1 94 GLU 4.29 2.69 1 95 GLN 2.56 2.90 1 96 GLU 3.33 3.20 1 97 ASN 0.16 -0.35 1 98 ARG 5.99 1.16 1 99 LYS -0.13 0.90 1 101 LEU -1.63 0.56 1 102 ILE -7.72 -3.84 1 103 ALA -5.97 -1.98 1 104 ALA -5.73 -3.62 1 105 ILE 0.23 -0.30 1 107 ALA 4.84 3.59 1 110 THR 2.91 1.72 1 111 ALA 6.17 2.68 1 112 LEU 4.09 3.14 1 113 LEU 2.82 2.31 1 114 ALA -2.21 -0.09 1 115 HIS 3.58 -0.14 1 116 GLU -2.27 -3.93 1 117 ILE 3.20 -0.97 1 119 PHE 0.81 1.44 1 121 SER -0.80 -0.74 1 122 LYS -7.74 -4.03 1 123 VAL -3.26 -1.68 1 125 THR 3.77 5.95 1 126 HIS 3.42 2.09 1 128 LEU -1.56 -1.38 1 129 ALA 4.46 4.30 1 130 LYS 4.84 3.27 1 131 ASP 3.40 2.72 1 132 LYS -0.45 0.73 1 133 MET 0.18 -2.03 1 134 MET 2.73 2.41 1 135 ASN 2.28 1.15 1 138 HIS -6.42 -1.57 1 139 TYR -0.60 0.11 1 140 THR 0.91 1.96 1 141 TYR -5.07 -3.55 1 142 SER -0.90 -1.39 1 143 GLU 0.72 0.40 1 144 ASN 4.69 4.88 1 145 ARG -2.67 -0.57 1 146 VAL -6.09 -2.92 1 147 GLU -2.45 -0.42 1 148 LYS -2.99 -1.31 1 149 ASP 0.99 -0.34 1 151 LEU -0.04 -1.78 1 152 ILE -4.91 -0.97 1 153 LEU -6.40 -3.01 1 154 THR -3.86 -2.14 1 156 ARG 0.86 -0.30 1 160 THR 4.23 6.23 1 161 SER 6.94 5.99 1 162 PHE 3.48 3.55 1 163 GLU 1.69 2.20 1 164 PHE 2.33 2.70 1 165 ALA 4.30 2.69 1 166 LEU 3.10 2.44 1 167 ALA 5.92 4.98 1 168 ILE 6.80 5.20 1 169 VAL 3.15 2.68 1 170 GLU 3.37 2.14 1 171 ALA 1.68 1.97 1 172 LEU -2.50 -0.01 1 173 ASN 3.80 3.76 1 175 LYS 4.94 3.46 1 176 GLU 5.45 3.90 1 177 VAL 4.89 3.55 1 178 ALA 3.83 2.77 1 179 ALA 3.76 2.89 1 180 GLN 3.53 2.28 1 181 VAL 2.74 3.08 1 182 LYS 9.59 6.95 1 183 ALA 2.22 1.29 1 185 LEU 5.14 1.10 1 186 VAL -0.91 -0.40 1 187 LEU 0.84 1.13 1 188 LYS 1.37 1.65 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27947_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.71 _LACS_plot.Line_1_terminator_val_y_1 4.94 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -1.21 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.52 _LACS_plot.Line_2_terminator_val_x_2 9.59 _LACS_plot.Line_2_terminator_val_y_2 -2.24 _LACS_plot.Y_axis_chem_shift_offset 0.01 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 155 SER 3.27 3.11 0 124 THR -8.71 6.31 0 10 LEU -3.59 2.37 1 11 ALA -8.10 4.70 1 12 LYS 2.73 -0.67 1 14 ALA -1.48 1.23 1 15 GLU 0.43 -0.12 1 16 GLU 5.49 -2.80 1 17 MET 5.05 0.93 1 18 GLU 1.59 -1.82 1 19 THR 5.05 -1.18 1 20 VAL 5.76 -0.67 1 21 ILE 6.77 -0.92 1 23 VAL 4.67 -2.18 1 24 ASP 7.31 -1.49 1 25 VAL 4.55 1.25 1 26 MET 6.37 -1.31 1 27 ARG 4.50 -0.90 1 28 ARG -2.78 1.98 1 29 ALA 0.58 -0.42 1 31 ILE 0.65 -1.25 1 32 LYS -1.87 0.49 1 33 VAL -0.55 0.60 1 34 THR 2.35 -2.35 1 35 VAL -6.81 3.20 1 36 ALA 2.70 0.84 1 38 LEU -1.06 0.03 1 39 ALA -0.51 0.05 1 41 LYS 3.29 -1.87 1 42 ASP -1.57 1.50 1 44 VAL 1.04 -0.62 1 45 GLN 4.44 -0.48 1 47 SER 2.64 -3.15 1 48 ARG 5.08 -2.61 1 49 ASP 4.21 -2.11 1 50 VAL -0.91 0.14 1 51 VAL -5.43 3.05 1 52 ILE 0.94 1.76 1 55 ASP -6.19 4.29 1 56 ALA -1.83 0.63 1 57 SER 4.03 -0.87 1 58 LEU 3.59 -0.52 1 59 GLU 3.54 -0.95 1 60 ASP 2.29 -0.27 1 61 ALA 4.23 -0.95 1 62 LYS 1.88 -0.41 1 63 LYS -1.56 0.02 1 64 GLU -1.67 1.70 1 67 TYR 1.33 1.72 1 68 ASP -4.04 1.09 1 69 VAL -2.41 1.36 1 70 VAL -2.20 0.90 1 71 VAL -1.46 -1.03 1 72 LEU 3.70 -1.47 1 77 LEU 3.64 -0.73 1 79 ALA 4.98 -1.32 1 80 GLN 4.03 -0.68 1 81 ASN 2.71 0.54 1 82 LEU 4.82 -0.57 1 83 SER -1.05 0.75 1 84 GLU -0.63 -0.58 1 85 SER 3.03 -0.98 1 86 ALA 2.66 -0.58 1 87 ALA 5.97 -1.79 1 88 VAL 6.51 -1.78 1 89 LYS 2.85 -0.04 1 90 GLU 3.31 -0.42 1 91 ILE 3.02 -0.34 1 92 LEU 3.64 -1.29 1 93 LYS 3.30 -0.45 1 94 GLU 4.29 -1.60 1 95 GLN 2.56 0.34 1 96 GLU 3.33 -0.13 1 97 ASN 0.16 -0.51 1 98 ARG 5.99 -4.83 1 99 LYS -0.13 1.03 1 101 LEU -1.63 2.19 1 102 ILE -7.72 3.88 1 103 ALA -5.97 3.99 1 104 ALA -5.73 2.11 1 105 ILE 0.23 -0.53 1 107 ALA 4.84 -1.25 1 110 THR 2.91 -1.19 1 111 ALA 6.17 -3.49 1 112 LEU 4.09 -0.95 1 113 LEU 2.82 -0.51 1 114 ALA -2.21 2.12 1 115 HIS 3.58 -3.72 1 116 GLU -2.27 -1.66 1 117 ILE 3.20 -4.17 1 119 PHE 0.81 0.63 1 121 SER -0.80 0.06 1 122 LYS -7.74 3.71 1 123 VAL -3.26 1.58 1 125 THR 3.77 2.18 1 126 HIS 3.42 -1.33 1 128 LEU -1.56 0.18 1 129 ALA 4.46 -0.16 1 130 LYS 4.84 -1.57 1 131 ASP 3.40 -0.68 1 132 LYS -0.45 1.18 1 133 MET 0.18 -2.21 1 134 MET 2.73 -0.32 1 135 ASN 2.28 -1.13 1 138 HIS -6.42 4.85 1 139 TYR -0.60 0.71 1 140 THR 0.91 1.05 1 141 TYR -5.07 1.52 1 142 SER -0.90 -0.49 1 143 GLU 0.72 -0.32 1 144 ASN 4.69 0.19 1 145 ARG -2.67 2.10 1 146 VAL -6.09 3.17 1 147 GLU -2.45 2.03 1 148 LYS -2.99 1.68 1 149 ASP 0.99 -1.33 1 151 LEU -0.04 -1.74 1 152 ILE -4.91 3.94 1 153 LEU -6.40 3.39 1 154 THR -3.86 1.72 1 156 ARG 0.86 -1.16 1 160 THR 4.23 2.00 1 161 SER 6.94 -0.95 1 162 PHE 3.48 0.07 1 163 GLU 1.69 0.51 1 164 PHE 2.33 0.37 1 165 ALA 4.30 -1.61 1 166 LEU 3.10 -0.66 1 167 ALA 5.92 -0.94 1 168 ILE 6.80 -1.60 1 169 VAL 3.15 -0.47 1 170 GLU 3.37 -1.23 1 171 ALA 1.68 0.29 1 172 LEU -2.50 2.49 1 173 ASN 3.80 -0.04 1 175 LYS 4.94 -1.48 1 176 GLU 5.45 -1.55 1 177 VAL 4.89 -1.34 1 178 ALA 3.83 -1.06 1 179 ALA 3.76 -0.87 1 180 GLN 3.53 -1.25 1 181 VAL 2.74 0.34 1 182 LYS 9.59 -2.64 1 183 ALA 2.22 -0.93 1 185 LEU 5.14 -4.04 1 186 VAL -0.91 0.51 1 187 LEU 0.84 0.29 1 188 LYS 1.37 0.28 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27947_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -8.71 _LACS_plot.Line_1_terminator_val_y_1 -3.17 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 0.41 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.11 _LACS_plot.Line_2_terminator_val_x_2 9.59 _LACS_plot.Line_2_terminator_val_y_2 2.99 _LACS_plot.Y_axis_chem_shift_offset 0.33 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 124 THR -8.71 0.08 0 10 LEU -3.59 -4.44 1 11 ALA -8.10 -2.89 1 12 LYS 2.73 0.28 1 14 ALA -1.48 -1.12 1 15 GLU 0.43 2.72 1 16 GLU 5.49 4.30 1 17 MET 5.05 1.38 1 18 GLU 1.59 -3.10 1 19 THR 5.05 0.60 1 20 VAL 5.76 0.04 1 21 ILE 6.77 -0.59 1 23 VAL 4.67 0.00 1 24 ASP 7.31 0.76 1 25 VAL 4.55 2.10 1 26 MET 6.37 5.85 1 27 ARG 4.50 1.36 1 28 ARG -2.78 -1.47 1 29 ALA 0.58 -0.64 1 31 ILE 0.65 -0.88 1 32 LYS -1.87 -0.74 1 33 VAL -0.55 -1.94 1 34 THR 2.35 -1.93 1 35 VAL -6.81 -1.33 1 36 ALA 2.70 -0.41 1 38 LEU -1.06 -1.22 1 39 ALA -0.51 -1.55 1 41 LYS 3.29 -2.08 1 42 ASP -1.57 -2.37 1 44 VAL 1.04 -0.22 1 45 GLN 4.44 0.21 1 47 SER 2.64 -2.11 1 48 ARG 5.08 -0.04 1 49 ASP 4.21 -2.01 1 50 VAL -0.91 -0.92 1 51 VAL -5.43 -0.26 1 52 ILE 0.94 -0.02 1 55 ASP -6.19 -1.28 1 56 ALA -1.83 0.21 1 57 SER 4.03 -0.36 1 58 LEU 3.59 1.55 1 59 GLU 3.54 2.95 1 60 ASP 2.29 4.53 1 61 ALA 4.23 1.05 1 62 LYS 1.88 0.35 1 63 LYS -1.56 -0.85 1 64 GLU -1.67 -0.47 1 67 TYR 1.33 -0.61 1 68 ASP -4.04 -4.92 1 69 VAL -2.41 -2.75 1 70 VAL -2.20 -2.06 1 71 VAL -1.46 -1.70 1 72 LEU 3.70 0.96 1 77 LEU 3.64 2.40 1 79 ALA 4.98 2.11 1 80 GLN 4.03 4.11 1 81 ASN 2.71 2.39 1 82 LEU 4.82 -1.79 1 83 SER -1.05 -0.13 1 84 GLU -0.63 0.96 1 85 SER 3.03 1.72 1 86 ALA 2.66 2.56 1 87 ALA 5.97 0.27 1 88 VAL 6.51 0.65 1 89 LYS 2.85 2.95 1 90 GLU 3.31 2.16 1 91 ILE 3.02 0.83 1 92 LEU 3.64 3.07 1 93 LYS 3.30 2.06 1 94 GLU 4.29 2.29 1 95 GLN 2.56 3.93 1 96 GLU 3.33 1.69 1 97 ASN 0.16 -0.97 1 98 ARG 5.99 -0.79 1 99 LYS -0.13 -0.03 1 101 LEU -1.63 -3.95 1 102 ILE -7.72 -1.87 1 103 ALA -5.97 -3.71 1 104 ALA -5.73 -2.21 1 105 ILE 0.23 1.02 1 107 ALA 4.84 2.20 1 110 THR 2.91 0.99 1 111 ALA 6.17 0.51 1 112 LEU 4.09 2.60 1 113 LEU 2.82 0.78 1 114 ALA -2.21 -0.98 1 115 HIS 3.58 -1.55 1 116 GLU -2.27 1.18 1 117 ILE 3.20 1.97 1 119 PHE 0.81 -2.26 1 121 SER -0.80 -0.44 1 122 LYS -7.74 -3.96 1 123 VAL -3.26 -2.12 1 125 THR 3.77 5.62 1 126 HIS 3.42 0.26 1 128 LEU -1.56 -2.26 1 129 ALA 4.46 0.25 1 130 LYS 4.84 2.81 1 131 ASP 3.40 1.69 1 132 LYS -0.45 -0.20 1 133 MET 0.18 1.96 1 134 MET 2.73 1.91 1 135 ASN 2.28 -2.42 1 138 HIS -6.42 -1.25 1 139 TYR -0.60 -2.08 1 140 THR 0.91 -0.99 1 141 TYR -5.07 -2.00 1 142 SER -0.90 -1.04 1 143 GLU 0.72 -1.18 1 144 ASN 4.69 1.53 1 145 ARG -2.67 -3.61 1 146 VAL -6.09 -3.69 1 147 GLU -2.45 -2.38 1 148 LYS -2.99 0.09 1 149 ASP 0.99 -3.05 1 151 LEU -0.04 -1.74 1 152 ILE -4.91 -1.34 1 153 LEU -6.40 -0.43 1 154 THR -3.86 1.39 1 155 SER 3.27 -0.64 1 156 ARG 0.86 1.49 1 160 THR 4.23 1.71 1 161 SER 6.94 1.73 1 162 PHE 3.48 2.61 1 163 GLU 1.69 -0.88 1 164 PHE 2.33 1.35 1 165 ALA 4.30 1.00 1 166 LEU 3.10 3.12 1 167 ALA 5.92 0.67 1 168 ILE 6.80 1.29 1 169 VAL 3.15 2.06 1 170 GLU 3.37 1.04 1 171 ALA 1.68 -0.12 1 172 LEU -2.50 1.06 1 173 ASN 3.80 2.09 1 175 LYS 4.94 2.84 1 176 GLU 5.45 1.73 1 177 VAL 4.89 0.60 1 178 ALA 3.83 3.13 1 179 ALA 3.76 3.24 1 180 GLN 3.53 0.89 1 181 VAL 2.74 2.88 1 182 LYS 9.59 1.47 1 183 ALA 2.22 -0.97 1 185 LEU 5.14 -0.19 1 186 VAL -0.91 -0.49 1 187 LEU 0.84 -1.19 1 188 LYS 1.37 -0.28 1 stop_ save_