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 bmr27943_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.90 _LACS_plot.Line_1_terminator_val_y_1 -3.80 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 0.74 _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 7.34 _LACS_plot.Y_axis_chem_shift_offset 0.02 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 155 SER 3.30 6.25 0 124 THR -8.90 -2.35 0 10 LEU -3.58 -1.22 1 11 ALA -8.03 -3.37 1 12 LYS 2.79 2.11 1 14 ALA -1.34 -0.20 1 15 GLU 0.43 0.31 1 16 GLU 5.70 3.01 1 17 MET 5.10 5.81 1 18 GLU 1.11 -0.06 1 19 THR 5.28 4.10 1 20 VAL 5.80 4.99 1 21 ILE 6.78 5.92 1 23 VAL 4.75 2.49 1 24 ASP 7.27 5.78 1 25 VAL 4.54 5.82 1 26 MET 6.45 5.12 1 27 ARG 4.47 3.57 1 28 ARG -2.86 -0.80 1 29 ALA 0.64 0.20 1 31 ILE 0.62 -0.66 1 32 LYS -1.83 -1.34 1 33 VAL -0.52 0.05 1 34 THR 2.39 0.04 1 35 VAL -6.78 -3.61 1 36 ALA 2.74 3.55 1 38 LEU -1.07 -1.02 1 39 ALA -0.51 -0.44 1 41 LYS 3.28 1.41 1 42 ASP -1.56 -0.06 1 44 VAL 1.04 0.42 1 45 GLN 4.37 3.89 1 47 SER 2.70 -0.48 1 48 ARG 5.13 2.52 1 49 ASP 4.28 2.14 1 50 VAL -0.93 -0.79 1 51 VAL -5.46 -2.38 1 52 ILE 1.02 2.75 1 55 ASP -6.18 -1.89 1 56 ALA -1.81 -1.20 1 57 SER 4.04 3.17 1 58 LEU 3.59 3.07 1 59 GLU 3.53 2.58 1 60 ASP 2.32 2.05 1 61 ALA 4.23 3.28 1 62 LYS 1.93 1.49 1 63 LYS -1.55 -1.53 1 64 GLU -1.58 0.04 1 67 TYR 1.37 3.07 1 68 ASP -4.05 -2.93 1 69 VAL -2.45 -1.04 1 70 VAL -2.20 -1.30 1 71 VAL -1.45 -2.48 1 72 LEU 3.42 2.09 1 77 LEU 3.85 2.82 1 79 ALA 4.99 3.67 1 80 GLN 4.08 3.35 1 81 ASN 2.61 3.23 1 82 LEU 4.85 4.25 1 83 SER -1.06 -0.30 1 84 GLU -0.61 -1.17 1 85 SER 3.04 2.05 1 86 ALA 2.70 2.08 1 87 ALA 5.91 4.16 1 88 VAL 6.44 4.73 1 89 LYS 2.89 2.82 1 90 GLU 3.35 2.89 1 91 ILE 2.97 2.68 1 92 LEU 3.65 2.34 1 93 LYS 3.27 2.83 1 94 GLU 4.30 2.70 1 95 GLN 2.56 2.91 1 96 GLU 3.34 3.20 1 97 ASN 0.17 -0.35 1 98 ARG 5.99 1.16 1 99 LYS -0.10 0.90 1 101 LEU -1.60 0.59 1 102 ILE -7.69 -3.84 1 103 ALA -5.95 -1.99 1 104 ALA -5.87 -3.68 1 105 ILE 0.06 -0.13 1 107 ALA 4.99 3.72 1 110 THR 2.89 1.72 1 111 ALA 6.11 2.69 1 112 LEU 4.11 3.10 1 113 LEU 2.86 2.34 1 114 ALA -2.19 -0.05 1 115 HIS 3.60 -0.15 1 116 GLU -2.20 -3.95 1 117 ILE 3.20 -1.00 1 119 PHE 0.81 1.44 1 121 SER -0.80 -0.75 1 122 LYS -7.79 -4.07 1 123 VAL -3.11 -1.63 1 125 THR 3.65 5.83 1 126 HIS 3.35 2.02 1 128 LEU -1.53 -1.31 1 129 ALA 4.48 4.28 1 130 LYS 4.82 3.27 1 131 ASP 3.42 2.79 1 132 LYS -0.35 0.82 1 133 MET 0.24 -2.01 1 134 MET 2.90 2.42 1 135 ASN 2.36 1.20 1 138 HIS -6.45 -1.59 1 139 TYR -0.59 0.12 1 140 THR 0.86 1.95 1 141 TYR -5.10 -3.56 1 142 SER -0.87 -1.37 1 143 GLU 0.69 0.38 1 144 ASN 4.79 4.93 1 145 ARG -2.63 -0.53 1 146 VAL -6.07 -2.85 1 147 GLU -2.46 -0.41 1 148 LYS -3.00 -1.29 1 149 ASP 0.99 -0.36 1 151 LEU -0.04 -1.78 1 152 ILE -4.87 -0.96 1 153 LEU -6.42 -3.00 1 154 THR -3.88 -2.09 1 156 ARG 1.11 -0.25 1 160 THR 4.27 6.13 1 161 SER 6.76 5.85 1 162 PHE 3.55 3.53 1 163 GLU 1.57 2.12 1 164 PHE 2.26 2.68 1 165 ALA 4.21 2.68 1 166 LEU 3.09 2.45 1 167 ALA 5.82 5.00 1 168 ILE 6.79 5.20 1 169 VAL 3.21 2.71 1 170 GLU 3.44 2.16 1 171 ALA 1.67 1.94 1 172 LEU -2.46 0.02 1 173 ASN 3.79 3.76 1 175 LYS 4.95 3.45 1 176 GLU 5.44 3.87 1 177 VAL 4.83 3.53 1 178 ALA 3.85 2.77 1 179 ALA 3.81 2.89 1 180 GLN 3.59 2.29 1 181 VAL 2.70 3.05 1 182 LYS 9.59 6.95 1 183 ALA 2.21 1.26 1 185 LEU 5.14 1.16 1 186 VAL -0.89 -0.46 1 187 LEU 0.81 1.10 1 188 LYS 1.40 1.68 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27943_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.90 _LACS_plot.Line_1_terminator_val_y_1 5.10 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -1.25 _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 -2.25 _LACS_plot.Y_axis_chem_shift_offset 0.02 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 155 SER 3.30 2.95 0 124 THR -8.90 6.55 0 10 LEU -3.58 2.36 1 11 ALA -8.03 4.66 1 12 LYS 2.79 -0.68 1 14 ALA -1.34 1.14 1 15 GLU 0.43 -0.12 1 16 GLU 5.70 -2.69 1 17 MET 5.10 0.71 1 18 GLU 1.11 -1.17 1 19 THR 5.28 -1.18 1 20 VAL 5.80 -0.81 1 21 ILE 6.78 -0.86 1 23 VAL 4.75 -2.26 1 24 ASP 7.27 -1.49 1 25 VAL 4.54 1.28 1 26 MET 6.45 -1.33 1 27 ARG 4.47 -0.90 1 28 ARG -2.86 2.06 1 29 ALA 0.64 -0.44 1 31 ILE 0.62 -1.28 1 32 LYS -1.83 0.49 1 33 VAL -0.52 0.57 1 34 THR 2.39 -2.35 1 35 VAL -6.78 3.17 1 36 ALA 2.74 0.81 1 38 LEU -1.07 0.05 1 39 ALA -0.51 0.07 1 41 LYS 3.28 -1.87 1 42 ASP -1.56 1.50 1 44 VAL 1.04 -0.62 1 45 GLN 4.37 -0.48 1 47 SER 2.70 -3.18 1 48 ARG 5.13 -2.61 1 49 ASP 4.28 -2.14 1 50 VAL -0.93 0.14 1 51 VAL -5.46 3.08 1 52 ILE 1.02 1.73 1 55 ASP -6.18 4.29 1 56 ALA -1.81 0.61 1 57 SER 4.04 -0.87 1 58 LEU 3.59 -0.52 1 59 GLU 3.53 -0.95 1 60 ASP 2.32 -0.27 1 61 ALA 4.23 -0.95 1 62 LYS 1.93 -0.44 1 63 LYS -1.55 0.02 1 64 GLU -1.58 1.62 1 67 TYR 1.37 1.70 1 68 ASP -4.05 1.12 1 69 VAL -2.45 1.41 1 70 VAL -2.20 0.90 1 71 VAL -1.45 -1.03 1 72 LEU 3.42 -1.33 1 77 LEU 3.85 -1.03 1 79 ALA 4.99 -1.32 1 80 GLN 4.08 -0.73 1 81 ASN 2.61 0.62 1 82 LEU 4.85 -0.60 1 83 SER -1.06 0.76 1 84 GLU -0.61 -0.56 1 85 SER 3.04 -0.99 1 86 ALA 2.70 -0.62 1 87 ALA 5.91 -1.75 1 88 VAL 6.44 -1.71 1 89 LYS 2.89 -0.07 1 90 GLU 3.35 -0.46 1 91 ILE 2.97 -0.29 1 92 LEU 3.65 -1.31 1 93 LYS 3.27 -0.44 1 94 GLU 4.30 -1.60 1 95 GLN 2.56 0.35 1 96 GLU 3.34 -0.14 1 97 ASN 0.17 -0.52 1 98 ARG 5.99 -4.83 1 99 LYS -0.10 1.00 1 101 LEU -1.60 2.19 1 102 ILE -7.69 3.85 1 103 ALA -5.95 3.96 1 104 ALA -5.87 2.19 1 105 ILE 0.06 -0.19 1 107 ALA 4.99 -1.27 1 110 THR 2.89 -1.17 1 111 ALA 6.11 -3.42 1 112 LEU 4.11 -1.01 1 113 LEU 2.86 -0.52 1 114 ALA -2.19 2.14 1 115 HIS 3.60 -3.75 1 116 GLU -2.20 -1.75 1 117 ILE 3.20 -4.20 1 119 PHE 0.81 0.63 1 121 SER -0.80 0.05 1 122 LYS -7.79 3.72 1 123 VAL -3.11 1.48 1 125 THR 3.65 2.18 1 126 HIS 3.35 -1.33 1 128 LEU -1.53 0.22 1 129 ALA 4.48 -0.20 1 130 LYS 4.82 -1.55 1 131 ASP 3.42 -0.63 1 132 LYS -0.35 1.17 1 133 MET 0.24 -2.25 1 134 MET 2.90 -0.48 1 135 ASN 2.36 -1.16 1 138 HIS -6.45 4.86 1 139 TYR -0.59 0.71 1 140 THR 0.86 1.09 1 141 TYR -5.10 1.54 1 142 SER -0.87 -0.50 1 143 GLU 0.69 -0.31 1 144 ASN 4.79 0.14 1 145 ARG -2.63 2.10 1 146 VAL -6.07 3.22 1 147 GLU -2.46 2.05 1 148 LYS -3.00 1.71 1 149 ASP 0.99 -1.35 1 151 LEU -0.04 -1.74 1 152 ILE -4.87 3.91 1 153 LEU -6.42 3.42 1 154 THR -3.88 1.79 1 156 ARG 1.11 -1.36 1 160 THR 4.27 1.86 1 161 SER 6.76 -0.91 1 162 PHE 3.55 -0.02 1 163 GLU 1.57 0.55 1 164 PHE 2.26 0.42 1 165 ALA 4.21 -1.53 1 166 LEU 3.09 -0.64 1 167 ALA 5.82 -0.82 1 168 ILE 6.79 -1.59 1 169 VAL 3.21 -0.50 1 170 GLU 3.44 -1.28 1 171 ALA 1.67 0.27 1 172 LEU -2.46 2.48 1 173 ASN 3.79 -0.03 1 175 LYS 4.95 -1.50 1 176 GLU 5.44 -1.57 1 177 VAL 4.83 -1.30 1 178 ALA 3.85 -1.08 1 179 ALA 3.81 -0.92 1 180 GLN 3.59 -1.30 1 181 VAL 2.70 0.35 1 182 LYS 9.59 -2.64 1 183 ALA 2.21 -0.95 1 185 LEU 5.14 -3.98 1 186 VAL -0.89 0.43 1 187 LEU 0.81 0.29 1 188 LYS 1.40 0.28 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27943_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -8.90 _LACS_plot.Line_1_terminator_val_y_1 -3.33 _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 -1.16 _LACS_plot.Line_2_terminator_val_x_2 9.59 _LACS_plot.Line_2_terminator_val_y_2 3.09 _LACS_plot.Y_axis_chem_shift_offset 0.35 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 125 THR 3.65 5.62 0 124 THR -8.90 -0.36 0 10 LEU -3.58 -4.31 1 11 ALA -8.03 -2.85 1 12 LYS 2.79 0.23 1 14 ALA -1.34 -1.17 1 15 GLU 0.43 2.72 1 16 GLU 5.70 3.90 1 17 MET 5.10 1.22 1 18 GLU 1.11 -2.41 1 19 THR 5.28 0.89 1 20 VAL 5.80 0.14 1 21 ILE 6.78 -0.58 1 23 VAL 4.75 0.07 1 24 ASP 7.27 0.87 1 25 VAL 4.54 2.12 1 26 MET 6.45 5.90 1 27 ARG 4.47 1.37 1 28 ARG -2.86 -1.46 1 29 ALA 0.64 -0.63 1 31 ILE 0.62 -0.86 1 32 LYS -1.83 -0.70 1 33 VAL -0.52 -1.97 1 34 THR 2.39 -1.93 1 35 VAL -6.78 -1.32 1 36 ALA 2.74 -0.39 1 38 LEU -1.07 -1.21 1 39 ALA -0.51 -1.54 1 41 LYS 3.28 -2.08 1 42 ASP -1.56 -2.39 1 44 VAL 1.04 -0.23 1 45 GLN 4.37 0.28 1 47 SER 2.70 -2.11 1 48 ARG 5.13 0.04 1 49 ASP 4.28 -1.99 1 50 VAL -0.93 -0.91 1 51 VAL -5.46 -0.20 1 52 ILE 1.02 -0.02 1 55 ASP -6.18 -1.27 1 56 ALA -1.81 0.21 1 57 SER 4.04 -0.37 1 58 LEU 3.59 1.54 1 59 GLU 3.53 2.95 1 60 ASP 2.32 4.54 1 61 ALA 4.23 1.06 1 62 LYS 1.93 0.35 1 63 LYS -1.55 -0.84 1 64 GLU -1.58 -0.44 1 67 TYR 1.37 -0.61 1 68 ASP -4.05 -4.90 1 69 VAL -2.45 -2.82 1 70 VAL -2.20 -2.05 1 71 VAL -1.45 -1.70 1 72 LEU 3.42 0.96 1 77 LEU 3.85 2.56 1 79 ALA 4.99 2.10 1 80 GLN 4.08 4.19 1 81 ASN 2.61 2.47 1 82 LEU 4.85 -1.80 1 83 SER -1.06 -0.08 1 84 GLU -0.61 0.98 1 85 SER 3.04 1.73 1 86 ALA 2.70 2.57 1 87 ALA 5.91 0.26 1 88 VAL 6.44 0.67 1 89 LYS 2.89 2.94 1 90 GLU 3.35 2.16 1 91 ILE 2.97 0.84 1 92 LEU 3.65 3.09 1 93 LYS 3.27 2.08 1 94 GLU 4.30 2.28 1 95 GLN 2.56 3.97 1 96 GLU 3.34 1.68 1 97 ASN 0.17 -0.97 1 98 ARG 5.99 -0.80 1 99 LYS -0.10 -0.07 1 101 LEU -1.60 -3.99 1 102 ILE -7.69 -2.08 1 103 ALA -5.95 -4.19 1 104 ALA -5.87 -2.96 1 105 ILE 0.06 1.39 1 107 ALA 4.99 2.32 1 110 THR 2.89 1.07 1 111 ALA 6.11 0.60 1 112 LEU 4.11 2.69 1 113 LEU 2.86 0.76 1 114 ALA -2.19 -0.97 1 115 HIS 3.60 -1.51 1 116 GLU -2.20 1.15 1 117 ILE 3.20 2.00 1 119 PHE 0.81 -2.27 1 121 SER -0.80 -0.48 1 122 LYS -7.79 -4.04 1 123 VAL -3.11 -2.29 1 126 HIS 3.35 0.39 1 128 LEU -1.53 -2.21 1 129 ALA 4.48 0.25 1 130 LYS 4.82 2.82 1 131 ASP 3.42 1.71 1 132 LYS -0.35 -0.12 1 133 MET 0.24 1.99 1 134 MET 2.90 1.88 1 135 ASN 2.36 -2.40 1 138 HIS -6.45 -1.20 1 139 TYR -0.59 -2.11 1 140 THR 0.86 -0.95 1 141 TYR -5.10 -2.03 1 142 SER -0.87 -0.95 1 143 GLU 0.69 -1.16 1 144 ASN 4.79 1.47 1 145 ARG -2.63 -3.58 1 146 VAL -6.07 -3.73 1 147 GLU -2.46 -2.33 1 148 LYS -3.00 0.07 1 149 ASP 0.99 -3.07 1 151 LEU -0.04 -1.76 1 152 ILE -4.87 -1.45 1 153 LEU -6.42 -0.41 1 154 THR -3.88 1.07 1 155 SER 3.30 -1.34 1 156 ARG 1.11 1.53 1 160 THR 4.27 1.76 1 161 SER 6.76 1.74 1 162 PHE 3.55 2.66 1 163 GLU 1.57 -0.76 1 164 PHE 2.26 1.39 1 165 ALA 4.21 1.02 1 166 LEU 3.09 3.12 1 167 ALA 5.82 0.73 1 168 ILE 6.79 1.33 1 169 VAL 3.21 2.05 1 170 GLU 3.44 1.06 1 171 ALA 1.67 -0.12 1 172 LEU -2.46 1.05 1 173 ASN 3.79 2.07 1 175 LYS 4.95 2.84 1 176 GLU 5.44 1.71 1 177 VAL 4.83 0.58 1 178 ALA 3.85 3.11 1 179 ALA 3.81 3.23 1 180 GLN 3.59 0.85 1 181 VAL 2.70 2.86 1 182 LYS 9.59 1.47 1 183 ALA 2.21 -1.06 1 185 LEU 5.14 -0.13 1 186 VAL -0.89 -0.38 1 187 LEU 0.81 -1.17 1 188 LYS 1.40 -0.28 1 stop_ save_