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 bmr27002_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.64 _LACS_plot.Line_1_terminator_val_y_1 -3.15 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 0.91 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.46 _LACS_plot.Line_2_terminator_val_x_2 6.01 _LACS_plot.Line_2_terminator_val_y_2 4.69 _LACS_plot.Y_axis_chem_shift_offset -0.07 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 52 ILE 3.23 -1.55 0 10 ALA 0.15 0.27 1 11 GLU 0.19 0.37 1 12 ASP 0.21 0.17 1 14 ARG 1.26 0.72 1 16 ASP -0.74 -0.87 1 17 ILE 0.76 0.40 1 19 ARG 0.19 0.66 1 20 THR 0.26 0.29 1 21 ASN -0.37 0.63 1 22 LEU -3.46 -1.45 1 23 ILE -4.31 -2.17 1 24 VAL -3.69 -3.06 1 25 ASN -5.49 -1.62 1 26 TYR 3.69 -0.67 1 27 LEU -0.14 -0.55 1 29 GLN 3.96 3.25 1 30 ASN 0.65 -0.72 1 31 MET 0.26 1.20 1 32 THR -3.19 -1.39 1 33 GLN 4.36 4.57 1 34 ASP 3.88 3.20 1 35 GLU 2.03 2.44 1 36 LEU 4.22 3.42 1 37 ARG 5.73 4.61 1 38 SER 4.77 3.80 1 39 LEU 4.10 2.98 1 40 PHE 5.92 4.11 1 41 SER 3.59 2.61 1 42 SER 3.41 2.47 1 43 ILE 0.29 -0.82 1 45 GLU 1.49 1.40 1 46 VAL -0.97 -0.02 1 47 GLU 2.23 2.15 1 48 SER -1.78 -0.60 1 49 ALA -3.24 -1.55 1 50 LYS -4.81 -1.75 1 51 LEU -3.69 -1.24 1 53 ARG -4.87 -2.08 1 54 ASP -1.65 0.16 1 55 LYS 2.03 1.94 1 56 VAL 2.71 2.30 1 57 ALA -0.91 -0.08 1 59 HIS -1.83 -0.13 1 60 SER -0.27 0.16 1 61 LEU 0.61 -0.41 1 63 TYR -4.78 -2.93 1 65 PHE -4.76 -1.64 1 66 VAL -3.60 -0.87 1 67 ASN -3.27 -1.83 1 68 TYR 0.98 2.70 1 69 VAL 5.33 4.22 1 70 THR -3.92 -2.15 1 71 ALA 3.21 2.17 1 72 LYS 4.01 2.58 1 73 ASP 4.33 2.71 1 74 ALA 4.05 2.91 1 75 GLU 2.91 2.76 1 76 ARG 4.32 3.29 1 77 ALA 3.62 3.54 1 78 ILE 5.94 5.24 1 79 ASN 3.00 2.79 1 80 THR 2.51 3.15 1 81 LEU 0.08 0.07 1 82 ASN 3.08 3.42 1 84 LEU 0.16 0.89 1 85 ARG -0.01 -1.05 1 86 LEU -3.83 -1.54 1 87 GLN 4.91 2.01 1 88 SER 1.79 1.26 1 89 LYS -3.15 -1.97 1 90 THR -0.24 -0.55 1 91 ILE 0.57 0.75 1 92 LYS -5.76 -2.17 1 93 VAL -2.65 -0.88 1 94 SER -3.75 -1.76 1 95 TYR 3.21 2.99 1 96 ALA 0.03 0.25 1 97 ARG -0.34 -0.34 1 99 SER 0.55 0.47 1 100 SER 0.52 0.35 1 101 GLU -0.31 0.11 1 102 VAL 1.17 0.58 1 103 ILE 0.79 0.07 1 104 LYS -0.14 -0.28 1 105 ASP -0.24 0.40 1 106 ALA -1.37 -1.64 1 107 ASN -2.02 -0.20 1 108 LEU -4.71 -1.53 1 109 TYR -3.52 -1.29 1 110 ILE -4.43 -2.51 1 111 SER -4.32 -1.71 1 113 LEU 1.81 1.20 1 115 ARG 3.76 1.85 1 116 THR 0.31 -0.60 1 117 MET 1.01 1.82 1 118 THR -3.75 -1.63 1 119 GLN 6.02 4.54 1 120 LYS 3.81 2.62 1 121 ASP 3.58 3.30 1 123 GLU 5.39 4.05 1 124 ASP 4.25 3.29 1 125 MET 3.11 3.48 1 126 PHE 2.42 3.01 1 127 SER 4.21 3.39 1 128 ARG 3.21 1.20 1 129 PHE 1.86 1.29 1 131 ARG 0.20 0.28 1 132 ILE 1.14 0.46 1 133 ILE 1.25 -0.07 1 134 ASN -3.05 0.21 1 135 SER -3.70 -0.74 1 136 ARG -3.01 -0.02 1 137 VAL -1.48 -0.68 1 138 LEU 1.05 0.24 1 139 VAL -4.27 -2.34 1 140 ASP -1.55 -0.39 1 141 GLN 3.57 2.57 1 142 THR 4.28 3.23 1 143 THR -1.00 0.13 1 145 LEU -1.82 -1.27 1 146 SER -0.64 -0.24 1 147 ARG -0.06 0.07 1 149 VAL -5.94 -3.49 1 150 ALA -7.64 -2.83 1 151 PHE -4.60 -2.01 1 152 ILE -4.86 -1.34 1 153 ARG -3.38 -1.35 1 154 PHE -1.34 0.88 1 155 ASP 0.27 2.60 1 156 LYS -5.14 -2.25 1 157 ARG 5.35 3.97 1 158 SER 5.20 3.06 1 159 GLU 2.56 1.70 1 160 ALA 2.77 2.03 1 161 GLU 3.67 3.11 1 162 GLU 3.40 2.43 1 163 ALA 2.57 1.99 1 164 ILE 5.29 4.98 1 165 THR 5.58 4.43 1 166 SER 2.92 3.29 1 167 PHE -2.52 -0.51 1 168 ASN 3.98 3.91 1 170 HIS -1.00 0.92 1 171 LYS 1.02 -1.04 1 175 SER -2.31 -1.28 1 176 SER -0.08 0.22 1 177 GLU -2.89 -1.10 1 179 ILE -1.04 -0.52 1 180 ALA -3.94 -2.09 1 181 VAL -2.96 -1.06 1 182 LYS -5.11 -2.16 1 183 PHE 3.83 3.04 1 184 ALA -0.45 0.07 1 185 ALA -0.77 -0.50 1 186 ASN -0.16 -0.16 1 188 ASN 0.61 0.28 1 189 GLN -2.50 0.85 1 190 ASN 0.56 0.29 1 191 LYS 3.68 -0.08 1 192 ASN 0.45 0.25 1 193 VAL 0.70 0.34 1 194 ALA 0.07 0.05 1 195 LEU 0.08 -0.02 1 196 LEU 3.12 -0.21 1 197 SER -1.60 -2.03 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27002_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.64 _LACS_plot.Line_1_terminator_val_y_1 4.49 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -1.08 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.54 _LACS_plot.Line_2_terminator_val_x_2 6.01 _LACS_plot.Line_2_terminator_val_y_2 -1.32 _LACS_plot.Y_axis_chem_shift_offset -0.07 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 52 ILE 3.23 -4.78 0 10 ALA 0.15 0.12 1 11 GLU 0.19 0.18 1 12 ASP 0.21 -0.04 1 14 ARG 1.26 -0.54 1 16 ASP -0.74 -0.13 1 17 ILE 0.76 -0.36 1 19 ARG 0.19 0.47 1 20 THR 0.26 0.03 1 21 ASN -0.37 1.00 1 22 LEU -3.46 2.01 1 23 ILE -4.31 2.14 1 24 VAL -3.69 0.63 1 25 ASN -5.49 3.87 1 26 TYR 3.69 -4.36 1 27 LEU -0.14 -0.41 1 29 GLN 3.96 -0.71 1 30 ASN 0.65 -1.37 1 31 MET 0.26 0.94 1 32 THR -3.19 1.80 1 33 GLN 4.36 0.21 1 34 ASP 3.88 -0.68 1 35 GLU 2.03 0.41 1 36 LEU 4.22 -0.80 1 37 ARG 5.73 -1.12 1 38 SER 4.77 -0.97 1 39 LEU 4.10 -1.12 1 40 PHE 5.92 -1.81 1 41 SER 3.59 -0.98 1 42 SER 3.41 -0.94 1 43 ILE 0.29 -1.11 1 45 GLU 1.49 -0.09 1 46 VAL -0.97 0.95 1 47 GLU 2.23 -0.08 1 48 SER -1.78 1.18 1 49 ALA -3.24 1.69 1 50 LYS -4.81 3.06 1 51 LEU -3.69 2.45 1 53 ARG -4.87 2.79 1 54 ASP -1.65 1.81 1 55 LYS 2.03 -0.09 1 56 VAL 2.71 -0.41 1 57 ALA -0.91 0.83 1 59 HIS -1.83 1.70 1 60 SER -0.27 0.43 1 61 LEU 0.61 -1.02 1 63 TYR -4.78 1.85 1 65 PHE -4.76 3.12 1 66 VAL -3.60 2.73 1 67 ASN -3.27 1.44 1 68 TYR 0.98 1.72 1 69 VAL 5.33 -1.11 1 70 THR -3.92 1.77 1 71 ALA 3.21 -1.04 1 72 LYS 4.01 -1.43 1 73 ASP 4.33 -1.62 1 74 ALA 4.05 -1.14 1 75 GLU 2.91 -0.15 1 76 ARG 4.32 -1.03 1 77 ALA 3.62 -0.08 1 78 ILE 5.94 -0.70 1 79 ASN 3.00 -0.21 1 80 THR 2.51 0.64 1 81 LEU 0.08 -0.01 1 82 ASN 3.08 0.34 1 84 LEU 0.16 0.73 1 85 ARG -0.01 -1.04 1 86 LEU -3.83 2.29 1 87 GLN 4.91 -2.90 1 88 SER 1.79 -0.53 1 89 LYS -3.15 1.18 1 90 THR -0.24 -0.31 1 91 ILE 0.57 0.18 1 92 LYS -5.76 3.59 1 93 VAL -2.65 1.77 1 94 SER -3.75 1.99 1 95 TYR 3.21 -0.22 1 96 ALA 0.03 0.22 1 97 ARG -0.34 0.00 1 99 SER 0.55 -0.08 1 100 SER 0.52 -0.17 1 101 GLU -0.31 0.42 1 102 VAL 1.17 -0.59 1 103 ILE 0.79 -0.72 1 104 LYS -0.14 -0.14 1 105 ASP -0.24 0.64 1 106 ALA -1.37 -0.27 1 107 ASN -2.02 1.82 1 108 LEU -4.71 3.18 1 109 TYR -3.52 2.23 1 110 ILE -4.43 1.92 1 111 SER -4.32 2.61 1 113 LEU 1.81 -0.61 1 115 ARG 3.76 -1.91 1 116 THR 0.31 -0.91 1 117 MET 1.01 0.81 1 118 THR -3.75 2.12 1 119 GLN 6.02 -1.48 1 120 LYS 3.81 -1.19 1 121 ASP 3.58 -0.28 1 123 GLU 5.39 -1.34 1 124 ASP 4.25 -0.96 1 125 MET 3.11 0.37 1 126 PHE 2.42 0.59 1 127 SER 4.21 -0.82 1 128 ARG 3.21 -2.01 1 129 PHE 1.86 -0.57 1 131 ARG 0.20 0.08 1 132 ILE 1.14 -0.68 1 133 ILE 1.25 -1.32 1 134 ASN -3.05 3.26 1 135 SER -3.70 2.96 1 136 ARG -3.01 2.99 1 137 VAL -1.48 0.80 1 138 LEU 1.05 -0.81 1 139 VAL -4.27 1.93 1 140 ASP -1.55 1.16 1 141 GLN 3.57 -1.00 1 142 THR 4.28 -1.05 1 143 THR -1.00 1.13 1 145 LEU -1.82 0.55 1 146 SER -0.64 0.40 1 147 ARG -0.06 0.13 1 149 VAL -5.94 2.45 1 150 ALA -7.64 4.81 1 151 PHE -4.60 2.59 1 152 ILE -4.86 3.52 1 153 ARG -3.38 2.03 1 154 PHE -1.34 2.22 1 155 ASP 0.27 2.33 1 156 LYS -5.14 2.89 1 157 ARG 5.35 -1.38 1 158 SER 5.20 -2.14 1 159 GLU 2.56 -0.86 1 160 ALA 2.77 -0.74 1 161 GLU 3.67 -0.56 1 162 GLU 3.40 -0.97 1 163 ALA 2.57 -0.58 1 164 ILE 5.29 -0.31 1 165 THR 5.58 -1.15 1 166 SER 2.92 0.37 1 167 PHE -2.52 2.01 1 168 ASN 3.98 -0.07 1 170 HIS -1.00 1.92 1 171 LYS 1.02 -2.06 1 175 SER -2.31 1.03 1 176 SER -0.08 0.30 1 177 GLU -2.89 1.79 1 179 ILE -1.04 0.52 1 180 ALA -3.94 1.85 1 181 VAL -2.96 1.90 1 182 LYS -5.11 2.95 1 183 PHE 3.83 -0.79 1 184 ALA -0.45 0.52 1 185 ALA -0.77 0.27 1 186 ASN -0.16 0.00 1 188 ASN 0.61 -0.33 1 189 GLN -2.50 3.35 1 190 ASN 0.56 -0.27 1 191 LYS 3.68 -3.76 1 192 ASN 0.45 -0.20 1 193 VAL 0.70 -0.36 1 194 ALA 0.07 -0.02 1 195 LEU 0.08 -0.10 1 196 LEU 3.12 -3.33 1 197 SER -1.60 -0.43 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27002_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.64 _LACS_plot.Line_1_terminator_val_y_1 -2.72 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 0.51 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.80 _LACS_plot.Line_2_terminator_val_x_2 6.01 _LACS_plot.Line_2_terminator_val_y_2 1.81 _LACS_plot.Y_axis_chem_shift_offset 0.15 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 52 ILE 3.23 -2.03 0 40 PHE 5.92 4.13 0 150 ALA -7.64 -3.88 0 26 TYR 3.69 -1.91 0 156 LYS -5.14 0.68 0 10 ALA 0.15 0.11 1 11 GLU 0.19 -0.15 1 12 ASP 0.21 0.14 1 14 ARG 1.26 0.61 1 16 ASP -0.74 0.18 1 17 ILE 0.76 0.34 1 19 ARG 0.19 -0.71 1 20 THR 0.26 -0.55 1 21 ASN -0.37 -0.16 1 22 LEU -3.46 -1.25 1 23 ILE -4.31 -3.08 1 24 VAL -3.69 -2.42 1 25 ASN -5.49 -1.79 1 27 LEU -0.14 0.34 1 29 GLN 3.96 -0.46 1 30 ASN 0.65 0.34 1 31 MET 0.26 0.27 1 32 THR -3.19 0.73 1 33 GLN 4.36 1.31 1 34 ASP 3.88 -0.98 1 35 GLU 2.03 2.93 1 36 LEU 4.22 0.09 1 37 ARG 5.73 2.96 1 38 SER 4.77 2.41 1 39 LEU 4.10 1.57 1 41 SER 3.59 -0.13 1 42 SER 3.41 0.37 1 43 ILE 0.29 -0.81 1 45 GLU 1.49 0.07 1 46 VAL -0.97 -0.62 1 47 GLU 2.23 -0.26 1 48 SER -1.78 -2.88 1 49 ALA -3.24 -2.90 1 50 LYS -4.81 -2.69 1 51 LEU -3.69 -3.76 1 53 ARG -4.87 -0.45 1 54 ASP -1.65 0.97 1 55 LYS 2.03 0.16 1 56 VAL 2.71 0.59 1 57 ALA -0.91 1.18 1 59 HIS -1.83 0.83 1 60 SER -0.27 1.75 1 61 LEU 0.61 0.79 1 63 TYR -4.78 -3.58 1 65 PHE -4.76 -0.06 1 66 VAL -3.60 -3.81 1 67 ASN -3.27 0.69 1 68 TYR 0.98 -1.28 1 69 VAL 5.33 0.66 1 70 THR -3.92 0.02 1 71 ALA 3.21 2.82 1 72 LYS 4.01 2.28 1 73 ASP 4.33 0.20 1 74 ALA 4.05 0.73 1 75 GLU 2.91 2.11 1 76 ARG 4.32 3.13 1 77 ALA 3.62 2.22 1 78 ILE 5.94 1.60 1 79 ASN 3.00 1.72 1 80 THR 2.51 0.40 1 81 LEU 0.08 -0.51 1 82 ASN 3.08 1.74 1 84 LEU 0.16 -2.09 1 85 ARG -0.01 -0.58 1 86 LEU -3.83 -2.39 1 87 GLN 4.91 -0.11 1 88 SER 1.79 -0.97 1 89 LYS -3.15 -1.04 1 90 THR -0.24 0.43 1 91 ILE 0.57 -0.87 1 92 LYS -5.76 -1.63 1 93 VAL -2.65 -2.50 1 94 SER -3.75 -1.61 1 95 TYR 3.21 1.19 1 96 ALA 0.03 -0.36 1 97 ARG -0.34 -0.53 1 99 SER 0.55 0.32 1 100 SER 0.52 -0.10 1 101 GLU -0.31 -0.18 1 102 VAL 1.17 -0.16 1 103 ILE 0.79 -0.32 1 104 LYS -0.14 -0.60 1 105 ASP -0.24 -1.05 1 106 ALA -1.37 -2.61 1 107 ASN -2.02 -0.28 1 108 LEU -4.71 -2.63 1 109 TYR -3.52 -2.34 1 110 ILE -4.43 -2.50 1 111 SER -4.32 -0.90 1 113 LEU 1.81 0.78 1 115 ARG 3.76 -1.03 1 116 THR 0.31 0.99 1 117 MET 1.01 0.60 1 118 THR -3.75 0.33 1 119 GLN 6.02 1.19 1 120 LYS 3.81 1.31 1 121 ASP 3.58 3.20 1 123 GLU 5.39 2.55 1 124 ASP 4.25 2.73 1 125 MET 3.11 0.86 1 126 PHE 2.42 1.11 1 127 SER 4.21 1.31 1 128 ARG 3.21 0.46 1 129 PHE 1.86 -1.21 1 131 ARG 0.20 -1.35 1 132 ILE 1.14 0.32 1 133 ILE 1.25 -0.08 1 134 ASN -3.05 -3.02 1 135 SER -3.70 -1.66 1 136 ARG -3.01 -1.97 1 137 VAL -1.48 -0.46 1 138 LEU 1.05 -1.80 1 139 VAL -4.27 -0.21 1 140 ASP -1.55 0.89 1 141 GLN 3.57 1.05 1 142 THR 4.28 1.45 1 143 THR -1.00 1.68 1 145 LEU -1.82 -0.60 1 146 SER -0.64 1.68 1 147 ARG -0.06 1.01 1 149 VAL -5.94 -2.36 1 151 PHE -4.60 0.31 1 152 ILE -4.86 -0.05 1 153 ARG -3.38 -0.45 1 154 PHE -1.34 -1.07 1 155 ASP 0.27 -0.11 1 157 ARG 5.35 1.43 1 158 SER 5.20 2.40 1 159 GLU 2.56 0.48 1 160 ALA 2.77 1.17 1 161 GLU 3.67 2.52 1 162 GLU 3.40 1.62 1 163 ALA 2.57 1.61 1 164 ILE 5.29 1.93 1 165 THR 5.58 2.21 1 166 SER 2.92 0.64 1 167 PHE -2.52 1.15 1 168 ASN 3.98 1.56 1 170 HIS -1.00 -0.38 1 171 LYS 1.02 -1.46 1 175 SER -2.31 -0.23 1 176 SER -0.08 -0.85 1 177 GLU -2.89 -0.66 1 179 ILE -1.04 -1.07 1 180 ALA -3.94 -1.65 1 181 VAL -2.96 -2.79 1 182 LYS -5.11 -1.61 1 183 PHE 3.83 1.20 1 184 ALA -0.45 -0.88 1 185 ALA -0.77 -0.88 1 186 ASN -0.16 0.64 1 188 ASN 0.61 -0.02 1 189 GLN -2.50 0.22 1 190 ASN 0.56 0.12 1 191 LYS 3.68 -1.01 1 192 ASN 0.45 0.07 1 193 VAL 0.70 -0.42 1 194 ALA 0.07 -0.22 1 195 LEU 0.08 -0.41 1 196 LEU 3.12 -0.61 1 197 SER -1.60 -1.99 1 stop_ save_