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 bmr18228_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.87 _LACS_plot.Line_1_terminator_val_y_1 -3.28 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 1.01 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.58 _LACS_plot.Line_2_terminator_val_x_2 9.02 _LACS_plot.Line_2_terminator_val_y_2 6.98 _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 106 HIS -4.54 0.56 0 112 ASN 3.91 6.43 0 120 MET 5.28 0.16 0 10 ARG -0.05 0.30 1 11 SER 0.08 0.03 1 13 ALA 0.09 0.08 1 14 TRP -3.22 -2.56 1 15 ALA 0.09 0.33 1 16 GLN -2.86 -1.13 1 17 ALA 2.32 1.57 1 18 VAL -0.77 1.05 1 19 ASP -2.86 -0.73 1 21 SER 5.50 3.96 1 22 ILE -0.23 -0.83 1 23 ASN 0.44 0.23 1 24 LEU -1.36 -0.29 1 25 TYR -6.32 -1.47 1 26 ARG -1.78 0.43 1 27 MET 1.44 2.02 1 28 SER 0.32 -0.10 1 30 THR -1.05 -2.02 1 31 LEU -1.79 0.46 1 32 TYR -5.21 -1.60 1 33 ARG -6.87 -4.04 1 34 SER -2.56 1.48 1 35 ALA -2.40 -1.41 1 36 LEU -1.29 -1.15 1 38 ASN -4.27 -2.25 1 39 ALA 3.56 2.81 1 40 GLN 3.96 2.34 1 41 SER 2.02 0.73 1 42 VAL 7.41 6.26 1 43 ALA 4.43 3.06 1 44 LEU 4.79 3.31 1 45 LEU 5.53 3.31 1 46 GLN 4.21 3.33 1 47 ARG 5.17 3.78 1 48 LEU 0.44 -0.29 1 49 GLN 4.20 0.35 1 50 VAL 3.31 2.16 1 51 LYS -1.15 -0.27 1 52 THR -1.67 -0.04 1 53 VAL -2.51 -1.68 1 54 VAL -2.51 -2.30 1 55 SER -3.06 -2.99 1 57 ILE -3.45 -1.20 1 58 LYS 2.07 1.71 1 59 ASP 2.03 0.61 1 60 ASP -1.32 -0.75 1 61 ASP 4.27 2.23 1 62 ARG 5.17 2.54 1 63 ALA 3.06 2.56 1 64 TRP -1.73 -1.69 1 65 LEU -0.05 1.20 1 67 GLN 0.36 -1.26 1 68 ALA 1.83 1.46 1 70 VAL -4.74 -2.42 1 71 ARG -0.30 -0.07 1 72 VAL -1.27 -0.69 1 73 VAL -1.77 -0.69 1 74 SER -0.95 -1.25 1 75 LEU -1.85 -1.01 1 77 THR -0.68 -1.28 1 78 HIS -1.19 1.43 1 79 ALA 0.33 0.45 1 80 ASP 2.03 0.86 1 81 ARG -2.28 -1.56 1 82 VAL 1.71 0.80 1 83 ASP -4.92 -2.61 1 84 ASP 4.01 3.34 1 85 ALA 3.31 2.44 1 86 GLU 2.69 2.80 1 87 VAL 6.91 5.76 1 88 LEU 3.92 3.44 1 89 SER 4.01 3.21 1 90 VAL 6.92 5.27 1 91 LEU 4.91 3.68 1 92 ARG 5.66 4.27 1 93 GLN 4.46 3.83 1 94 LEU 3.67 3.19 1 95 GLN 3.59 3.83 1 96 ALA 3.31 2.44 1 97 ALA 9.02 8.02 1 98 GLU 1.58 3.30 1 99 ARG 3.67 2.41 1 100 GLU -1.03 -0.30 1 103 VAL -5.24 -2.42 1 104 LEU -5.75 -2.02 1 105 MET -4.89 -2.57 1 111 ASN 1.42 3.20 1 113 ARG 0.20 2.04 1 114 THR 8.12 6.16 1 116 LEU 4.05 3.81 1 117 PHE 6.58 4.56 1 118 ALA 3.07 3.06 1 119 ALA 3.43 2.56 1 121 TYR 5.33 4.48 1 122 ARG 2.06 0.92 1 123 ILE -0.22 2.15 1 124 VAL 4.44 3.53 1 125 VAL 4.93 2.29 1 126 GLN -2.49 -0.76 1 128 TRP 0.38 -0.08 1 129 ASP -2.18 -0.62 1 130 LYS 4.31 4.20 1 131 GLN 5.70 3.58 1 132 ALA 2.69 2.31 1 133 ALA 1.82 2.44 1 134 LEU 3.30 2.94 1 135 GLU 3.81 3.42 1 136 GLU 3.56 2.31 1 137 MET 1.81 4.38 1 138 GLN 0.98 1.22 1 139 ARG -1.29 -1.06 1 142 PHE 0.26 -0.28 1 144 ASP -0.45 0.61 1 145 GLU 2.94 2.80 1 146 ASP 0.17 0.74 1 149 ARG 4.67 3.78 1 150 ASP 3.77 3.10 1 151 ALA 2.82 2.44 1 152 SER 5.50 3.71 1 153 ALA 3.68 2.81 1 154 TYR 5.08 3.86 1 155 VAL 5.92 4.52 1 156 ARG 5.04 4.27 1 158 ALA 1.33 0.58 1 159 ASP 0.29 -1.87 1 160 VAL 5.42 4.27 1 161 ASP 3.64 2.72 1 163 LEU 2.43 3.19 1 164 ARG 4.17 4.40 1 165 LEU 3.80 2.94 1 166 ALA 2.57 2.07 1 167 MET 2.18 0.90 1 168 ALA 2.19 1.32 1 169 ASN 0.06 0.35 1 171 GLU -0.34 -0.11 1 175 SER 0.54 -0.01 1 176 ARG 1.20 0.43 1 177 PHE 0.13 -0.28 1 178 ALA -0.28 -0.04 1 181 HIS 0.04 1.55 1 182 VAL 1.71 1.05 1 183 ARG 1.32 0.55 1 184 GLU 0.96 0.82 1 185 TRP 0.87 0.41 1 186 MET 1.31 0.53 1 187 ALA 0.83 0.58 1 188 GLN 0.36 0.23 1 189 ALA 0.46 0.45 1 190 LEU 0.08 -0.16 1 191 ASP -0.33 -0.38 1 192 ARG -0.61 -0.55 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18228_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.87 _LACS_plot.Line_1_terminator_val_y_1 3.59 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -0.98 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.42 _LACS_plot.Line_2_terminator_val_x_2 9.02 _LACS_plot.Line_2_terminator_val_y_2 -2.04 _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 106 HIS -4.54 5.10 0 112 ASN 3.91 2.52 0 120 MET 5.28 -5.12 0 10 ARG -0.05 0.35 1 11 SER 0.08 -0.05 1 13 ALA 0.09 -0.01 1 14 TRP -3.22 0.66 1 15 ALA 0.09 0.24 1 16 GLN -2.86 1.73 1 17 ALA 2.32 -0.75 1 18 VAL -0.77 1.82 1 19 ASP -2.86 2.13 1 21 SER 5.50 -1.54 1 22 ILE -0.23 -0.60 1 23 ASN 0.44 -0.21 1 24 LEU -1.36 1.07 1 25 TYR -6.32 4.85 1 26 ARG -1.78 2.21 1 27 MET 1.44 0.58 1 28 SER 0.32 -0.42 1 30 THR -1.05 -0.97 1 31 LEU -1.79 2.25 1 32 TYR -5.21 3.61 1 33 ARG -6.87 2.83 1 34 SER -2.56 4.04 1 35 ALA -2.40 0.99 1 36 LEU -1.29 0.14 1 38 ASN -4.27 2.02 1 39 ALA 3.56 -0.75 1 40 GLN 3.96 -1.62 1 41 SER 2.02 -1.29 1 42 VAL 7.41 -1.15 1 43 ALA 4.43 -1.37 1 44 LEU 4.79 -1.48 1 45 LEU 5.53 -2.22 1 46 GLN 4.21 -0.88 1 47 ARG 5.17 -1.39 1 48 LEU 0.44 -0.73 1 49 GLN 4.20 -3.85 1 50 VAL 3.31 -1.15 1 51 LYS -1.15 0.88 1 52 THR -1.67 1.63 1 53 VAL -2.51 0.83 1 54 VAL -2.51 0.21 1 55 SER -3.06 0.07 1 57 ILE -3.45 2.25 1 58 LYS 2.07 -0.36 1 59 ASP 2.03 -1.42 1 60 ASP -1.32 0.57 1 61 ASP 4.27 -2.04 1 62 ARG 5.17 -2.63 1 63 ALA 3.06 -0.50 1 64 TRP -1.73 0.04 1 65 LEU -0.05 1.25 1 67 GLN 0.36 -1.62 1 68 ALA 1.83 -0.37 1 70 VAL -4.74 2.32 1 71 ARG -0.30 0.23 1 72 VAL -1.27 0.58 1 73 VAL -1.77 1.08 1 74 SER -0.95 -0.30 1 75 LEU -1.85 0.84 1 77 THR -0.68 -0.60 1 78 HIS -1.19 2.62 1 79 ALA 0.33 0.12 1 80 ASP 2.03 -1.17 1 81 ARG -2.28 0.72 1 82 VAL 1.71 -0.91 1 83 ASP -4.92 2.31 1 84 ASP 4.01 -0.67 1 85 ALA 3.31 -0.87 1 86 GLU 2.69 0.11 1 87 VAL 6.91 -1.15 1 88 LEU 3.92 -0.48 1 89 SER 4.01 -0.80 1 90 VAL 6.92 -1.65 1 91 LEU 4.91 -1.23 1 92 ARG 5.66 -1.39 1 93 GLN 4.46 -0.63 1 94 LEU 3.67 -0.48 1 95 GLN 3.59 0.24 1 96 ALA 3.31 -0.87 1 97 ALA 9.02 -1.00 1 98 GLU 1.58 1.72 1 99 ARG 3.67 -1.26 1 100 GLU -1.03 0.73 1 103 VAL -5.24 2.82 1 104 LEU -5.75 3.73 1 105 MET -4.89 2.32 1 111 ASN 1.42 1.78 1 113 ARG 0.20 1.84 1 114 THR 8.12 -1.96 1 116 LEU 4.05 -0.24 1 117 PHE 6.58 -2.02 1 118 ALA 3.07 -0.01 1 119 ALA 3.43 -0.87 1 121 TYR 5.33 -0.85 1 122 ARG 2.06 -1.14 1 123 ILE -0.22 2.37 1 124 VAL 4.44 -0.91 1 125 VAL 4.93 -2.64 1 126 GLN -2.49 1.73 1 128 TRP 0.38 -0.46 1 129 ASP -2.18 1.56 1 130 LYS 4.31 -0.11 1 131 GLN 5.70 -2.12 1 132 ALA 2.69 -0.38 1 133 ALA 1.82 0.62 1 134 LEU 3.30 -0.36 1 135 GLU 3.81 -0.39 1 136 GLU 3.56 -1.25 1 137 MET 1.81 2.57 1 138 GLN 0.98 0.24 1 139 ARG -1.29 0.23 1 142 PHE 0.26 -0.54 1 144 ASP -0.45 1.06 1 145 GLU 2.94 -0.14 1 146 ASP 0.17 0.57 1 149 ARG 4.67 -0.89 1 150 ASP 3.77 -0.67 1 151 ALA 2.82 -0.38 1 152 SER 5.50 -1.79 1 153 ALA 3.68 -0.87 1 154 TYR 5.08 -1.22 1 155 VAL 5.92 -1.40 1 156 ARG 5.04 -0.77 1 158 ALA 1.33 -0.75 1 159 ASP 0.29 -2.16 1 160 VAL 5.42 -1.15 1 161 ASP 3.64 -0.92 1 163 LEU 2.43 0.76 1 164 ARG 4.17 0.23 1 165 LEU 3.80 -0.86 1 166 ALA 2.57 -0.50 1 167 MET 2.18 -1.28 1 168 ALA 2.19 -0.87 1 169 ASN 0.06 0.29 1 171 GLU -0.34 0.23 1 175 SER 0.54 -0.55 1 176 ARG 1.20 -0.77 1 177 PHE 0.13 -0.41 1 178 ALA -0.28 0.24 1 181 HIS 0.04 1.51 1 182 VAL 1.71 -0.66 1 183 ARG 1.32 -0.77 1 184 GLU 0.96 -0.14 1 185 TRP 0.87 -0.46 1 186 MET 1.31 -0.78 1 187 ALA 0.83 -0.25 1 188 GLN 0.36 -0.13 1 189 ALA 0.46 -0.01 1 190 LEU 0.08 -0.24 1 191 ASP -0.33 -0.05 1 192 ARG -0.61 0.06 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18228_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.87 _LACS_plot.Line_1_terminator_val_y_1 0.62 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -0.26 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.12 _LACS_plot.Line_2_terminator_val_x_2 9.02 _LACS_plot.Line_2_terminator_val_y_2 -0.94 _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 136 GLU 3.56 -2.65 0 10 ARG -0.05 -0.62 1 11 SER 0.08 -0.14 1 13 ALA 0.09 -0.12 1 14 TRP -3.22 0.49 1 15 ALA 0.09 0.32 1 16 GLN -2.86 0.36 1 17 ALA 2.32 -1.33 1 18 VAL -0.77 -0.02 1 19 ASP -2.86 0.04 1 21 SER 5.50 -0.58 1 22 ILE -0.23 0.27 1 23 ASN 0.44 -0.36 1 24 LEU -1.36 1.02 1 25 TYR -6.32 0.64 1 26 ARG -1.78 -0.23 1 27 MET 1.44 -0.19 1 28 SER 0.32 0.04 1 30 THR -1.05 0.09 1 31 LEU -1.79 0.96 1 32 TYR -5.21 0.58 1 33 ARG -6.87 1.72 1 34 SER -2.56 1.00 1 35 ALA -2.40 -0.35 1 36 LEU -1.29 -0.70 1 38 ASN -4.27 -0.53 1 39 ALA 3.56 0.21 1 40 GLN 3.96 -0.19 1 41 SER 2.02 -0.10 1 42 VAL 7.41 -0.84 1 43 ALA 4.43 -0.25 1 44 LEU 4.79 -0.37 1 45 LEU 5.53 -0.80 1 46 GLN 4.21 -0.31 1 47 ARG 5.17 -0.34 1 48 LEU 0.44 -0.29 1 49 GLN 4.20 -0.65 1 50 VAL 3.31 -0.79 1 51 LYS -1.15 0.22 1 52 THR -1.67 0.69 1 53 VAL -2.51 0.80 1 54 VAL -2.51 0.48 1 55 SER -3.06 0.03 1 57 ILE -3.45 0.71 1 58 LYS 2.07 -0.60 1 59 ASP 2.03 -0.54 1 60 ASP -1.32 -0.16 1 61 ASP 4.27 -0.15 1 62 ARG 5.17 -0.83 1 63 ALA 3.06 -0.35 1 64 TRP -1.73 0.11 1 65 LEU -0.05 -0.87 1 67 GLN 0.36 -0.13 1 68 ALA 1.83 -0.76 1 70 VAL -4.74 -0.08 1 71 ARG -0.30 -0.11 1 72 VAL -1.27 0.36 1 73 VAL -1.77 -0.07 1 74 SER -0.95 0.23 1 75 LEU -1.85 0.02 1 77 THR -0.68 0.08 1 78 HIS -1.19 -0.12 1 79 ALA 0.33 -0.26 1 80 ASP 2.03 -0.33 1 81 ARG -2.28 0.09 1 82 VAL 1.71 -0.29 1 83 ASP -4.92 0.24 1 84 ASP 4.01 -0.33 1 85 ALA 3.31 -0.35 1 86 GLU 2.69 -0.35 1 87 VAL 6.91 -0.66 1 88 LEU 3.92 -0.44 1 89 SER 4.01 -0.34 1 90 VAL 6.92 -0.80 1 91 LEU 4.91 -0.37 1 92 ARG 5.66 -0.37 1 93 GLN 4.46 -0.35 1 94 LEU 3.67 -0.41 1 95 GLN 3.59 -0.04 1 96 ALA 3.31 -0.34 1 97 ALA 9.02 -0.17 1 98 GLU 1.58 0.27 1 99 ARG 3.67 -0.31 1 100 GLU -1.03 -0.10 1 103 VAL -5.24 0.67 1 104 LEU -5.75 0.77 1 105 MET -4.89 1.42 1 106 HIS -4.54 1.01 1 111 ASN 1.42 0.42 1 112 ASN 3.91 0.13 1 113 ARG 0.20 -0.52 1 114 THR 8.12 -0.75 1 116 LEU 4.05 -0.83 1 117 PHE 6.58 -0.81 1 118 ALA 3.07 -0.76 1 119 ALA 3.43 -0.25 1 120 MET 5.28 0.05 1 121 TYR 5.33 -0.90 1 122 ARG 2.06 -1.11 1 123 ILE -0.22 0.13 1 124 VAL 4.44 -0.68 1 125 VAL 4.93 -0.48 1 126 GLN -2.49 0.09 1 128 TRP 0.38 -0.17 1 129 ASP -2.18 -0.01 1 130 LYS 4.31 -0.64 1 131 GLN 5.70 -0.37 1 132 ALA 2.69 0.13 1 133 ALA 1.82 -0.36 1 134 LEU 3.30 -0.44 1 135 GLU 3.81 -0.39 1 137 MET 1.81 -0.63 1 138 GLN 0.98 -0.17 1 139 ARG -1.29 0.33 1 142 PHE 0.26 -0.18 1 144 ASP -0.45 -0.01 1 145 GLU 2.94 -0.45 1 146 ASP 0.17 -0.22 1 149 ARG 4.67 -0.42 1 150 ASP 3.77 -0.68 1 151 ALA 2.82 -0.47 1 152 SER 5.50 -0.65 1 153 ALA 3.68 -0.35 1 154 TYR 5.08 -0.70 1 155 VAL 5.92 -0.99 1 156 ARG 5.04 -0.64 1 158 ALA 1.33 -0.48 1 159 ASP 0.29 0.02 1 160 VAL 5.42 -0.78 1 161 ASP 3.64 -0.33 1 163 LEU 2.43 -0.33 1 164 ARG 4.17 -0.61 1 165 LEU 3.80 -0.32 1 166 ALA 2.57 -0.24 1 167 MET 2.18 -0.30 1 168 ALA 2.19 -0.17 1 169 ASN 0.06 -0.11 1 171 GLU -0.34 -0.14 1 175 SER 0.54 -0.19 1 176 ARG 1.20 -0.23 1 177 PHE 0.13 -0.10 1 178 ALA -0.28 0.38 1 181 HIS 0.04 -0.13 1 182 VAL 1.71 -0.26 1 183 ARG 1.32 -0.21 1 184 GLU 0.96 -0.27 1 185 TRP 0.87 -0.19 1 186 MET 1.31 -0.35 1 187 ALA 0.83 -0.25 1 188 GLN 0.36 -0.19 1 189 ALA 0.46 -0.13 1 190 LEU 0.08 -0.13 1 191 ASP -0.33 -0.16 1 192 ARG -0.61 -0.12 1 stop_ save_