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 bmr16613_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.89 _LACS_plot.Line_1_terminator_val_y_1 -3.23 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.84 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.45 _LACS_plot.Line_2_terminator_val_x_2 7.19 _LACS_plot.Line_2_terminator_val_y_2 5.73 _LACS_plot.Y_axis_chem_shift_offset -0.10 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 22 ARG 6.17 0.48 0 10 ASN -0.95 -1.37 1 11 LEU 4.27 3.70 1 12 ARG 5.82 4.31 1 13 GLU 2.67 2.45 1 14 MET 3.60 5.47 1 15 LEU 3.59 3.01 1 16 ALA 3.69 2.57 1 17 HIS 4.38 4.74 1 18 ALA 4.02 3.57 1 19 GLU 3.18 3.40 1 20 GLU 1.78 2.34 1 21 THR -0.73 0.64 1 23 LYS -2.84 0.47 1 24 LEU -1.84 -0.62 1 25 MET -3.87 -0.98 1 27 ILE -6.56 -3.40 1 29 MET 0.03 1.79 1 30 ASP -0.53 0.51 1 31 VAL 2.69 -0.06 1 32 ARG 5.14 4.09 1 33 ALA 3.43 2.95 1 34 ILE 3.56 3.36 1 35 MET 4.03 0.99 1 36 ALA 3.76 2.64 1 37 THR 6.68 5.18 1 38 ILE 5.38 5.13 1 39 GLN 3.26 3.37 1 40 ARG 2.14 2.17 1 41 LYS 1.57 2.03 1 42 TYR 0.50 -2.00 1 43 LYS 2.99 2.34 1 45 ILE 1.15 1.05 1 46 LYS -0.77 -1.82 1 47 ILE 2.70 0.82 1 48 GLN -4.41 -2.31 1 49 GLU 0.33 1.64 1 51 ILE 0.92 0.47 1 52 VAL -2.72 0.60 1 53 ASP -1.64 -1.74 1 54 TYR 0.14 0.33 1 56 VAL -3.90 -1.47 1 57 ARG 0.84 -0.66 1 58 PHE -2.86 -0.01 1 59 PHE -2.64 -1.04 1 60 PHE 0.21 0.27 1 61 TYR -6.03 -3.04 1 62 THR -3.52 -1.47 1 63 SER 2.02 1.42 1 64 LYS 0.28 0.08 1 65 GLU -2.00 -0.48 1 67 VAL 6.35 4.77 1 68 ALA 3.35 2.74 1 69 SER 3.36 2.08 1 70 ILE 4.61 4.60 1 71 ILE 6.05 4.28 1 72 THR 6.98 5.93 1 73 LYS 4.32 4.02 1 74 LEU 3.47 2.48 1 75 ASN 3.33 1.93 1 76 SER 3.84 2.99 1 77 LEU 2.65 2.41 1 78 ASN 1.65 0.81 1 79 GLU -1.41 0.39 1 81 LEU -7.29 -1.38 1 82 VAL -3.89 -2.30 1 83 THR -3.79 -1.85 1 84 MET 3.08 2.55 1 86 ILE 5.35 2.71 1 88 TYR 0.23 0.33 1 89 VAL 4.79 3.29 1 90 THR 0.05 0.67 1 91 HIS -2.60 -3.42 1 93 PHE -0.61 -1.44 1 94 ASN 3.71 3.72 1 95 LEU 4.43 3.15 1 96 GLU 2.36 1.96 1 97 GLU 2.64 2.56 1 98 ALA 3.28 2.90 1 99 ALA 5.13 3.95 1 100 ARG 3.00 0.83 1 102 MET 3.15 3.00 1 103 ARG 0.74 1.00 1 104 SER 0.17 0.21 1 105 LEU -1.16 -0.63 1 106 LYS 0.36 -0.20 1 107 ALA -4.60 -1.14 1 109 ALA -0.53 -0.17 1 110 VAL -2.20 -1.88 1 111 VAL -5.31 -4.11 1 112 SER -2.50 -2.44 1 113 VAL 3.66 3.62 1 114 SER -1.41 -0.34 1 115 SER 2.79 2.08 1 117 ASP 1.32 0.81 1 118 ALA 5.87 4.78 1 119 VAL 5.12 3.84 1 120 THR 4.96 3.88 1 121 THR 4.13 4.74 1 122 TYR 3.83 2.27 1 123 ASN 0.73 -0.21 1 125 TYR 1.75 1.95 1 126 LEU 0.66 0.61 1 127 THR 0.74 0.73 1 128 SER 0.14 0.17 1 129 SER 0.09 0.19 1 130 SER -0.81 -0.03 1 131 LYS -2.86 -0.81 1 132 THR 4.89 3.72 1 133 SER 7.20 5.94 1 134 GLU 2.76 2.90 1 135 GLU 3.21 4.58 1 136 HIS 3.94 4.18 1 137 PHE 5.49 4.38 1 138 VAL 3.17 3.19 1 139 GLU 5.46 4.71 1 140 THR 5.71 4.52 1 141 VAL 3.93 2.59 1 142 SER 1.81 1.77 1 143 LEU 0.74 1.54 1 144 ALA -1.98 -0.66 1 146 SER -1.16 1.10 1 147 TYR 5.57 2.23 1 148 ARG 2.00 0.13 1 149 ASP -1.68 -0.83 1 150 TRP -1.20 -0.11 1 151 SER -0.53 -0.29 1 152 TYR -0.32 -1.74 1 153 SER 0.36 0.25 1 155 GLN 1.79 1.62 1 156 ARG -4.97 -1.49 1 157 THR 2.91 2.23 1 158 GLU -0.10 -0.37 1 159 LEU 2.37 0.27 1 161 VAL -0.20 0.46 1 162 GLU -1.94 -1.27 1 163 PHE -8.89 -3.04 1 164 LEU -4.82 -1.22 1 165 LYS 1.14 0.87 1 166 ARG -0.03 -0.38 1 168 ASP -2.82 -1.41 1 169 LYS -3.93 -0.41 1 170 ILE -2.41 -1.36 1 171 VAL -3.29 -0.15 1 172 TYR -5.80 -1.20 1 173 HIS -0.79 -0.19 1 174 THR 0.88 1.42 1 175 LEU -3.20 -1.71 1 176 GLU -0.34 -0.11 1 177 SER 2.41 1.45 1 179 VAL -6.90 -2.91 1 180 GLU -3.74 -1.73 1 181 PHE -6.16 -0.67 1 182 HIS -4.08 -0.46 1 183 LEU 3.06 1.50 1 184 ASP -4.14 -1.92 1 186 GLU 1.05 0.27 1 187 VAL -5.20 -1.66 1 188 LEU -2.27 -1.25 1 189 SER 4.03 3.27 1 190 LEU 3.79 3.30 1 191 ASP 3.27 2.57 1 192 LYS 4.70 3.21 1 193 LEU 5.80 4.76 1 194 LYS 3.99 3.13 1 195 SER 2.01 1.85 1 196 LEU 0.52 0.34 1 197 LEU 1.72 2.78 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr16613_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.89 _LACS_plot.Line_1_terminator_val_y_1 5.66 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.16 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.55 _LACS_plot.Line_2_terminator_val_x_2 7.19 _LACS_plot.Line_2_terminator_val_y_2 -1.46 _LACS_plot.Y_axis_chem_shift_offset -0.10 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 22 ARG 6.17 -5.69 0 10 ASN -0.95 -0.42 1 11 LEU 4.27 -0.57 1 12 ARG 5.82 -1.51 1 13 GLU 2.67 -0.22 1 14 MET 3.60 1.87 1 15 LEU 3.59 -0.58 1 16 ALA 3.69 -1.12 1 17 HIS 4.38 0.36 1 18 ALA 4.02 -0.45 1 19 GLU 3.18 0.22 1 20 GLU 1.78 0.56 1 21 THR -0.73 1.37 1 23 LYS -2.84 3.31 1 24 LEU -1.84 1.22 1 25 MET -3.87 2.89 1 27 ILE -6.56 3.16 1 29 MET 0.03 1.76 1 30 ASP -0.53 1.04 1 31 VAL 2.69 -2.75 1 32 ARG 5.14 -1.05 1 33 ALA 3.43 -0.48 1 34 ILE 3.56 -0.20 1 35 MET 4.03 -3.04 1 36 ALA 3.76 -1.12 1 37 THR 6.68 -1.50 1 38 ILE 5.38 -0.25 1 39 GLN 3.26 0.11 1 40 ARG 2.14 0.03 1 41 LYS 1.57 0.46 1 42 TYR 0.50 -2.50 1 43 LYS 2.99 -0.65 1 45 ILE 1.15 -0.10 1 46 LYS -0.77 -1.05 1 47 ILE 2.70 -1.88 1 48 GLN -4.41 2.10 1 49 GLU 0.33 1.31 1 51 ILE 0.92 -0.45 1 52 VAL -2.72 3.32 1 53 ASP -1.64 -0.10 1 54 TYR 0.14 0.19 1 56 VAL -3.90 2.43 1 57 ARG 0.84 -1.50 1 58 PHE -2.86 2.85 1 59 PHE -2.64 1.60 1 60 PHE 0.21 0.06 1 61 TYR -6.03 2.99 1 62 THR -3.52 2.05 1 63 SER 2.02 -0.60 1 64 LYS 0.28 -0.20 1 65 GLU -2.00 1.52 1 67 VAL 6.35 -1.58 1 68 ALA 3.35 -0.61 1 69 SER 3.36 -1.28 1 70 ILE 4.61 -0.01 1 71 ILE 6.05 -1.77 1 72 THR 6.98 -1.05 1 73 LYS 4.32 -0.30 1 74 LEU 3.47 -0.99 1 75 ASN 3.33 -1.40 1 76 SER 3.84 -0.85 1 77 LEU 2.65 -0.24 1 78 ASN 1.65 -0.84 1 79 GLU -1.41 1.80 1 81 LEU -7.29 5.91 1 82 VAL -3.89 1.59 1 83 THR -3.79 1.94 1 84 MET 3.08 -0.53 1 86 ILE 5.35 -2.64 1 88 TYR 0.23 0.10 1 89 VAL 4.79 -1.50 1 90 THR 0.05 0.62 1 91 HIS -2.60 -0.82 1 93 PHE -0.61 -0.83 1 94 ASN 3.71 0.01 1 95 LEU 4.43 -1.28 1 96 GLU 2.36 -0.40 1 97 GLU 2.64 -0.08 1 98 ALA 3.28 -0.38 1 99 ALA 5.13 -1.18 1 100 ARG 3.00 -2.17 1 102 MET 3.15 -0.15 1 103 ARG 0.74 0.26 1 104 SER 0.17 0.04 1 105 LEU -1.16 0.53 1 106 LYS 0.36 -0.56 1 107 ALA -4.60 3.46 1 109 ALA -0.53 0.36 1 110 VAL -2.20 0.32 1 111 VAL -5.31 1.20 1 112 SER -2.50 0.06 1 113 VAL 3.66 -0.04 1 114 SER -1.41 1.07 1 115 SER 2.79 -0.71 1 117 ASP 1.32 -0.51 1 118 ALA 5.87 -1.09 1 119 VAL 5.12 -1.28 1 120 THR 4.96 -1.08 1 121 THR 4.13 0.61 1 122 TYR 3.83 -1.56 1 123 ASN 0.73 -0.94 1 125 TYR 1.75 0.20 1 126 LEU 0.66 -0.05 1 127 THR 0.74 -0.01 1 128 SER 0.14 0.03 1 129 SER 0.09 0.10 1 130 SER -0.81 0.78 1 131 LYS -2.86 2.05 1 132 THR 4.89 -1.17 1 133 SER 7.20 -1.26 1 134 GLU 2.76 0.14 1 135 GLU 3.21 1.37 1 136 HIS 3.94 0.24 1 137 PHE 5.49 -1.11 1 138 VAL 3.17 0.02 1 139 GLU 5.46 -0.75 1 140 THR 5.71 -1.19 1 141 VAL 3.93 -1.34 1 142 SER 1.81 -0.04 1 143 LEU 0.74 0.80 1 144 ALA -1.98 1.32 1 146 SER -1.16 2.26 1 147 TYR 5.57 -3.34 1 148 ARG 2.00 -1.87 1 149 ASP -1.68 0.85 1 150 TRP -1.20 1.09 1 151 SER -0.53 0.24 1 152 TYR -0.32 -1.42 1 153 SER 0.36 -0.11 1 155 GLN 1.79 -0.17 1 156 ARG -4.97 3.48 1 157 THR 2.91 -0.68 1 158 GLU -0.10 -0.27 1 159 LEU 2.37 -2.10 1 161 VAL -0.20 0.66 1 162 GLU -1.94 0.67 1 163 PHE -8.89 5.85 1 164 LEU -4.82 3.60 1 165 LYS 1.14 -0.27 1 166 ARG -0.03 -0.35 1 168 ASP -2.82 1.41 1 169 LYS -3.93 3.52 1 170 ILE -2.41 1.05 1 171 VAL -3.29 3.14 1 172 TYR -5.80 4.60 1 173 HIS -0.79 0.60 1 174 THR 0.88 0.54 1 175 LEU -3.20 1.49 1 176 GLU -0.34 0.23 1 177 SER 2.41 -0.96 1 179 VAL -6.90 3.99 1 180 GLU -3.74 2.01 1 181 PHE -6.16 5.49 1 182 HIS -4.08 3.62 1 183 LEU 3.06 -1.56 1 184 ASP -4.14 2.22 1 186 GLU 1.05 -0.78 1 187 VAL -5.20 3.54 1 188 LEU -2.27 1.02 1 189 SER 4.03 -0.76 1 190 LEU 3.79 -0.49 1 191 ASP 3.27 -0.70 1 192 LYS 4.70 -1.49 1 193 LEU 5.80 -1.04 1 194 LYS 3.99 -0.86 1 195 SER 2.01 -0.16 1 196 LEU 0.52 -0.18 1 197 LEU 1.72 1.06 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr16613_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -8.89 _LACS_plot.Line_1_terminator_val_y_1 1.03 _LACS_plot.Line_1_terminator_val_x_2 2.00 _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 0.21 _LACS_plot.Line_2_terminator_val_x_2 7.19 _LACS_plot.Line_2_terminator_val_y_2 -0.86 _LACS_plot.Y_axis_chem_shift_offset 0.03 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 141 VAL 3.93 -2.21 0 10 ASN -0.95 -0.12 1 11 LEU 4.27 -0.24 1 12 ARG 5.82 -0.49 1 13 GLU 2.67 -0.62 1 14 MET 3.60 -0.53 1 15 LEU 3.59 -0.36 1 16 ALA 3.69 -0.29 1 17 HIS 4.38 -0.54 1 18 ALA 4.02 -0.65 1 19 GLU 3.18 -0.64 1 20 GLU 1.78 -0.36 1 21 THR -0.73 -0.23 1 22 ARG 6.17 -0.40 1 23 LYS -2.84 -0.14 1 24 LEU -1.84 0.15 1 25 MET -3.87 0.99 1 27 ILE -6.56 0.13 1 29 MET 0.03 0.18 1 30 ASP -0.53 -0.06 1 31 VAL 2.69 -0.05 1 32 ARG 5.14 -0.54 1 33 ALA 3.43 -0.22 1 34 ILE 3.56 -0.41 1 35 MET 4.03 -0.23 1 36 ALA 3.76 -0.25 1 37 THR 6.68 -0.48 1 38 ILE 5.38 -0.46 1 39 GLN 3.26 -0.52 1 40 ARG 2.14 -0.23 1 41 LYS 1.57 -0.38 1 42 TYR 0.50 0.25 1 43 LYS 2.99 -0.23 1 45 ILE 1.15 -1.63 1 46 LYS -0.77 0.00 1 47 ILE 2.70 -0.99 1 48 GLN -4.41 -0.12 1 49 GLU 0.33 -0.61 1 51 ILE 0.92 0.75 1 52 VAL -2.72 -0.03 1 53 ASP -1.64 0.33 1 54 TYR 0.14 -0.13 1 56 VAL -3.90 -0.70 1 57 ARG 0.84 -0.03 1 58 PHE -2.86 -0.04 1 59 PHE -2.64 0.10 1 60 PHE 0.21 0.95 1 61 TYR -6.03 0.77 1 62 THR -3.52 0.33 1 63 SER 2.02 -0.94 1 64 LYS 0.28 -0.23 1 65 GLU -2.00 -0.02 1 67 VAL 6.35 -0.97 1 68 ALA 3.35 -0.35 1 69 SER 3.36 -0.26 1 70 ILE 4.61 -0.79 1 71 ILE 6.05 -0.91 1 72 THR 6.98 -0.49 1 73 LYS 4.32 -0.37 1 74 LEU 3.47 -0.65 1 75 ASN 3.33 -0.25 1 76 SER 3.84 -0.32 1 77 LEU 2.65 -0.35 1 78 ASN 1.65 -0.61 1 79 GLU -1.41 -0.11 1 81 LEU -7.29 1.44 1 82 VAL -3.89 1.00 1 83 THR -3.79 0.77 1 84 MET 3.08 0.59 1 86 ILE 5.35 -0.74 1 88 TYR 0.23 -0.13 1 89 VAL 4.79 -0.53 1 90 THR 0.05 -0.01 1 91 HIS -2.60 0.63 1 93 PHE -0.61 0.23 1 94 ASN 3.71 -0.50 1 95 LEU 4.43 -1.48 1 96 GLU 2.36 -0.84 1 97 GLU 2.64 -0.10 1 98 ALA 3.28 -0.48 1 99 ALA 5.13 -0.69 1 100 ARG 3.00 -0.31 1 102 MET 3.15 -0.31 1 103 ARG 0.74 -0.18 1 104 SER 0.17 0.07 1 105 LEU -1.16 -0.08 1 106 LYS 0.36 -0.19 1 107 ALA -4.60 0.78 1 109 ALA -0.53 0.06 1 110 VAL -2.20 0.62 1 111 VAL -5.31 0.47 1 112 SER -2.50 0.42 1 113 VAL 3.66 -0.52 1 114 SER -1.41 0.19 1 115 SER 2.79 -0.27 1 117 ASP 1.32 -0.08 1 118 ALA 5.87 -0.88 1 119 VAL 5.12 -0.49 1 120 THR 4.96 -0.86 1 121 THR 4.13 -0.77 1 122 TYR 3.83 -0.44 1 123 ASN 0.73 0.05 1 125 TYR 1.75 -0.53 1 126 LEU 0.66 -0.14 1 127 THR 0.74 -0.11 1 128 SER 0.14 -0.03 1 129 SER 0.09 -0.09 1 130 SER -0.81 0.11 1 131 LYS -2.86 0.09 1 132 THR 4.89 -0.26 1 133 SER 7.20 -0.40 1 134 GLU 2.76 -0.71 1 135 GLU 3.21 -0.45 1 136 HIS 3.94 -0.34 1 137 PHE 5.49 -0.68 1 138 VAL 3.17 -0.58 1 139 GLU 5.46 -0.63 1 140 THR 5.71 -0.68 1 142 SER 1.81 -0.30 1 143 LEU 0.74 -0.13 1 144 ALA -1.98 0.21 1 146 SER -1.16 -0.22 1 147 TYR 5.57 -0.82 1 148 ARG 2.00 -0.06 1 149 ASP -1.68 -0.20 1 150 TRP -1.20 0.06 1 151 SER -0.53 0.45 1 152 TYR -0.32 0.13 1 153 SER 0.36 -0.24 1 155 GLN 1.79 -0.03 1 156 ARG -4.97 0.59 1 157 THR 2.91 -0.26 1 158 GLU -0.10 -0.23 1 159 LEU 2.37 -0.01 1 161 VAL -0.20 -0.93 1 162 GLU -1.94 0.43 1 163 PHE -8.89 0.76 1 164 LEU -4.82 1.07 1 165 LYS 1.14 -0.40 1 166 ARG -0.03 -0.06 1 168 ASP -2.82 0.44 1 169 LYS -3.93 0.55 1 170 ILE -2.41 0.52 1 171 VAL -3.29 0.85 1 172 TYR -5.80 1.32 1 173 HIS -0.79 0.12 1 174 THR 0.88 -0.13 1 175 LEU -3.20 0.02 1 176 GLU -0.34 -0.41 1 177 SER 2.41 -0.64 1 179 VAL -6.90 0.00 1 180 GLU -3.74 1.12 1 181 PHE -6.16 1.00 1 182 HIS -4.08 0.68 1 183 LEU 3.06 -0.23 1 184 ASP -4.14 0.18 1 186 GLU 1.05 0.39 1 187 VAL -5.20 0.44 1 188 LEU -2.27 0.02 1 189 SER 4.03 -0.57 1 190 LEU 3.79 -0.55 1 191 ASP 3.27 -0.34 1 192 LYS 4.70 -0.63 1 193 LEU 5.80 -0.95 1 194 LYS 3.99 -0.28 1 195 SER 2.01 -0.13 1 196 LEU 0.52 -0.23 1 197 LEU 1.72 -0.34 1 stop_ save_