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 bmr5566_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.91 _LACS_plot.Line_1_terminator_val_y_1 -2.99 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 0.64 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.60 _LACS_plot.Line_2_terminator_val_x_2 7.59 _LACS_plot.Line_2_terminator_val_y_2 5.45 _LACS_plot.Y_axis_chem_shift_offset 0.11 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 145 HIS 1.90 4.60 0 115 LEU 0.89 -2.59 0 11 ARG 0.11 -0.23 1 12 THR 0.03 -0.19 1 13 ARG 0.10 -0.28 1 14 VAL 0.01 -0.02 1 15 GLU -0.11 0.28 1 18 GLN -0.12 0.06 1 19 LEU 0.47 0.36 1 22 GLU 0.02 -0.14 1 23 GLU 1.04 0.76 1 24 TRP 1.04 0.55 1 25 THR 0.81 0.39 1 30 PHE -5.17 -3.00 1 31 VAL -2.32 -2.88 1 36 ARG 0.89 -0.27 1 38 TRP -2.96 -2.04 1 39 LEU 0.95 1.31 1 40 HIS -3.34 -0.37 1 42 ASN 4.34 3.02 1 43 ASP 3.72 2.32 1 44 LYS 2.55 2.32 1 45 VAL 4.66 3.62 1 46 MET -0.14 1.24 1 50 VAL -2.23 -1.32 1 51 SER -3.32 -1.30 1 52 TYR -6.14 -1.18 1 53 LEU 0.72 -0.34 1 54 VAL -5.53 -3.44 1 55 ARG -3.22 -0.54 1 56 TYR -0.46 0.22 1 57 MET 0.02 -2.37 1 60 VAL -4.59 -2.03 1 61 GLU -0.96 0.84 1 62 VAL -1.36 -0.62 1 63 LEU 1.83 1.31 1 64 GLN -5.12 -2.12 1 67 ARG 3.62 1.98 1 68 ALA -0.93 -1.04 1 69 LEU -2.66 -2.20 1 70 ASP -0.86 -1.32 1 71 PHE 5.24 4.64 1 72 ASN 4.09 2.92 1 73 THR 7.59 4.96 1 74 ARG 6.37 4.20 1 75 THR 5.70 4.44 1 76 GLN 4.76 3.53 1 77 VAL 6.26 4.56 1 78 THR 5.77 3.98 1 79 ARG 4.80 3.18 1 80 GLU 3.10 1.79 1 81 ALA 3.92 3.20 1 82 ILE 4.90 4.72 1 83 SER 4.54 3.59 1 84 LEU 3.07 3.19 1 85 VAL 5.60 3.45 1 87 GLU 1.00 0.55 1 88 ALA -1.67 0.30 1 89 VAL -0.32 0.30 1 92 ALA 0.37 0.44 1 93 LYS 2.55 1.38 1 95 ALA 0.06 0.38 1 96 THR 0.24 0.02 1 97 ARG 0.62 0.04 1 98 ARG 0.41 -0.41 1 99 ARG -0.36 -0.63 1 100 LYS -0.98 -1.68 1 103 SER 0.12 0.02 1 104 ARG -1.56 0.43 1 106 LEU 0.78 -0.28 1 107 SER 2.48 1.67 1 108 SER 1.35 0.68 1 109 ILE 1.01 1.67 1 110 LEU -1.89 -1.53 1 112 ARG -0.00 -0.13 1 113 SER -2.03 -1.19 1 114 ASN -0.49 -0.63 1 116 LYS -1.78 -2.40 1 117 PHE 5.98 4.87 1 118 ALA 0.32 1.37 1 120 MET -1.14 1.22 1 122 ILE -7.01 -2.11 1 123 THR 0.94 0.25 1 124 LEU -4.02 -2.22 1 125 THR 0.75 0.25 1 126 VAL -0.95 -0.62 1 127 SER -6.50 -2.13 1 128 THR 3.31 2.14 1 129 SER 2.14 2.11 1 130 SER -2.14 -0.67 1 131 LEU 0.48 -0.58 1 132 ASN -4.08 -0.22 1 133 LEU -1.36 -1.52 1 134 MET -5.42 -1.92 1 135 ALA -0.40 0.61 1 136 ALA 2.50 1.95 1 137 ASP 1.49 0.54 1 139 LYS 2.50 1.10 1 140 GLN -2.31 -0.94 1 141 ILE 0.77 -0.22 1 142 ILE 2.17 0.95 1 143 ALA -2.54 -0.33 1 144 ASN -1.87 -0.13 1 148 GLN 3.62 2.12 1 149 SER -1.07 0.01 1 150 ILE 0.72 -0.50 1 154 SER -3.29 -1.27 1 157 ASP 2.55 0.64 1 159 ASP 1.29 0.79 1 160 THR -0.71 -2.10 1 161 ALA 3.54 3.23 1 164 VAL -3.89 -1.56 1 165 ALA -7.91 -3.15 1 166 TYR -4.14 -1.83 1 167 VAL -0.40 -1.10 1 168 ALA -7.24 -2.68 1 170 ASP -2.74 -0.85 1 172 VAL 1.77 1.74 1 176 ALA -4.80 -1.51 1 179 ILE -1.54 -1.35 1 180 LEU -3.56 -2.69 1 181 GLU -4.73 -1.55 1 184 GLU 2.61 1.62 1 186 LEU -0.93 0.60 1 187 ALA 4.49 3.67 1 188 GLN 4.60 3.10 1 189 ASP 5.56 2.29 1 190 VAL 7.35 5.20 1 197 ALA 3.65 2.58 1 199 GLU 3.19 2.87 1 201 ARG 2.97 0.01 1 202 PHE -2.18 0.03 1 203 LYS 2.12 0.96 1 204 GLN 0.53 0.71 1 205 TYR 0.43 0.15 1 206 LEU 0.33 0.09 1 207 ARG 0.71 0.96 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5566_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.91 _LACS_plot.Line_1_terminator_val_y_1 4.92 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -1.35 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.40 _LACS_plot.Line_2_terminator_val_x_2 7.59 _LACS_plot.Line_2_terminator_val_y_2 -2.14 _LACS_plot.Y_axis_chem_shift_offset 0.11 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 145 HIS 1.90 2.70 0 115 LEU 0.89 -3.48 0 11 ARG 0.11 -0.34 1 12 THR 0.03 -0.22 1 13 ARG 0.10 -0.38 1 14 VAL 0.01 -0.03 1 15 GLU -0.11 0.39 1 18 GLN -0.12 0.18 1 19 LEU 0.47 -0.11 1 22 GLU 0.02 -0.16 1 23 GLU 1.04 -0.28 1 24 TRP 1.04 -0.49 1 25 THR 0.81 -0.42 1 30 PHE -5.17 2.17 1 31 VAL -2.32 -0.56 1 36 ARG 0.89 -1.16 1 38 TRP -2.96 0.92 1 39 LEU 0.95 0.36 1 40 HIS -3.34 2.97 1 42 ASN 4.34 -1.32 1 43 ASP 3.72 -1.40 1 44 LYS 2.55 -0.23 1 45 VAL 4.66 -1.04 1 46 MET -0.14 1.38 1 50 VAL -2.23 0.91 1 51 SER -3.32 2.02 1 52 TYR -6.14 4.96 1 53 LEU 0.72 -1.06 1 54 VAL -5.53 2.09 1 55 ARG -3.22 2.68 1 56 TYR -0.46 0.68 1 57 MET 0.02 -2.39 1 60 VAL -4.59 2.56 1 61 GLU -0.96 1.80 1 62 VAL -1.36 0.74 1 63 LEU 1.83 -0.52 1 64 GLN -5.12 3.00 1 67 ARG 3.62 -1.64 1 68 ALA -0.93 -0.11 1 69 LEU -2.66 0.46 1 70 ASP -0.86 -0.46 1 71 PHE 5.24 -0.60 1 72 ASN 4.09 -1.17 1 73 THR 7.59 -2.63 1 74 ARG 6.37 -2.17 1 75 THR 5.70 -1.26 1 76 GLN 4.76 -1.23 1 77 VAL 6.26 -1.70 1 78 THR 5.77 -1.79 1 79 ARG 4.80 -1.62 1 80 GLU 3.10 -1.31 1 81 ALA 3.92 -0.72 1 82 ILE 4.90 -0.18 1 83 SER 4.54 -0.95 1 84 LEU 3.07 0.12 1 85 VAL 5.60 -2.15 1 87 GLU 1.00 -0.45 1 88 ALA -1.67 1.97 1 89 VAL -0.32 0.62 1 92 ALA 0.37 0.07 1 93 LYS 2.55 -1.17 1 95 ALA 0.06 0.32 1 96 THR 0.24 -0.22 1 97 ARG 0.62 -0.58 1 98 ARG 0.41 -0.82 1 99 ARG -0.36 -0.27 1 100 LYS -0.98 -0.70 1 103 SER 0.12 -0.10 1 104 ARG -1.56 1.99 1 106 LEU 0.78 -1.06 1 107 SER 2.48 -0.81 1 108 SER 1.35 -0.67 1 109 ILE 1.01 0.66 1 110 LEU -1.89 0.36 1 112 ARG -0.00 -0.13 1 113 SER -2.03 0.84 1 114 ASN -0.49 -0.14 1 116 LYS -1.78 -0.62 1 117 PHE 5.98 -1.11 1 118 ALA 0.32 1.05 1 120 MET -1.14 2.36 1 122 ILE -7.01 4.90 1 123 THR 0.94 -0.69 1 124 LEU -4.02 1.80 1 125 THR 0.75 -0.50 1 126 VAL -0.95 0.33 1 127 SER -6.50 4.37 1 128 THR 3.31 -1.17 1 129 SER 2.14 -0.03 1 130 SER -2.14 1.47 1 131 LEU 0.48 -1.06 1 132 ASN -4.08 3.86 1 133 LEU -1.36 -0.16 1 134 MET -5.42 3.50 1 135 ALA -0.40 1.01 1 136 ALA 2.50 -0.55 1 137 ASP 1.49 -0.95 1 139 LYS 2.50 -1.40 1 140 GLN -2.31 1.37 1 141 ILE 0.77 -0.99 1 142 ILE 2.17 -1.22 1 143 ALA -2.54 2.21 1 144 ASN -1.87 1.74 1 148 GLN 3.62 -1.50 1 149 SER -1.07 1.08 1 150 ILE 0.72 -1.22 1 154 SER -3.29 2.02 1 157 ASP 2.55 -1.91 1 159 ASP 1.29 -0.50 1 160 THR -0.71 -1.39 1 161 ALA 3.54 -0.31 1 164 VAL -3.89 2.33 1 165 ALA -7.91 4.76 1 166 TYR -4.14 2.31 1 167 VAL -0.40 -0.70 1 168 ALA -7.24 4.56 1 170 ASP -2.74 1.89 1 172 VAL 1.77 -0.03 1 176 ALA -4.80 3.29 1 179 ILE -1.54 0.19 1 180 LEU -3.56 0.87 1 181 GLU -4.73 3.18 1 184 GLU 2.61 -0.99 1 186 LEU -0.93 1.53 1 187 ALA 4.49 -0.82 1 188 GLN 4.60 -1.50 1 189 ASP 5.56 -3.27 1 190 VAL 7.35 -2.15 1 197 ALA 3.65 -1.07 1 199 GLU 3.19 -0.32 1 201 ARG 2.97 -2.96 1 202 PHE -2.18 2.21 1 203 LYS 2.12 -1.16 1 204 GLN 0.53 0.18 1 205 TYR 0.43 -0.28 1 206 LEU 0.33 -0.24 1 207 ARG 0.71 0.25 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5566_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.91 _LACS_plot.Line_1_terminator_val_y_1 0.93 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -0.17 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.25 _LACS_plot.Line_2_terminator_val_x_2 7.59 _LACS_plot.Line_2_terminator_val_y_2 -0.76 _LACS_plot.Y_axis_chem_shift_offset -0.05 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 165 ALA -7.91 1.61 0 51 SER -3.32 1.48 0 12 THR 0.03 0.07 1 13 ARG 0.10 0.05 1 14 VAL 0.01 0.01 1 15 GLU -0.11 -0.06 1 18 GLN -0.12 0.02 1 19 LEU 0.47 0.06 1 22 GLU 0.02 -0.06 1 23 GLU 1.04 -0.16 1 24 TRP 1.04 -0.05 1 25 THR 0.81 -0.27 1 38 TRP -2.96 0.24 1 39 LEU 0.95 -0.24 1 40 HIS -3.34 0.09 1 42 ASN 4.34 -0.67 1 43 ASP 3.72 -0.44 1 44 LYS 2.55 -0.20 1 45 VAL 4.66 -0.71 1 46 MET -0.14 0.18 1 50 VAL -2.23 -0.15 1 52 TYR -6.14 0.17 1 53 LEU 0.72 0.96 1 54 VAL -5.53 0.83 1 55 ARG -3.22 0.86 1 56 TYR -0.46 0.25 1 57 MET 0.02 0.40 1 60 VAL -4.59 0.49 1 61 GLU -0.96 -0.16 1 62 VAL -1.36 0.50 1 63 LEU 1.83 -0.08 1 64 GLN -5.12 0.25 1 68 ALA -0.93 0.03 1 69 LEU -2.66 0.23 1 70 ASP -0.86 -0.07 1 72 ASN 4.09 -0.38 1 73 THR 7.59 -0.47 1 74 ARG 6.37 -0.85 1 75 THR 5.70 -0.48 1 76 GLN 4.76 -0.37 1 77 VAL 6.26 -0.62 1 78 THR 5.77 -0.42 1 79 ARG 4.80 -0.43 1 80 GLU 3.10 -0.27 1 81 ALA 3.92 -0.44 1 82 ILE 4.90 -0.85 1 83 SER 4.54 -0.55 1 84 LEU 3.07 -0.36 1 85 VAL 5.60 -0.17 1 87 GLU 1.00 -0.20 1 88 ALA -1.67 0.08 1 89 VAL -0.32 -0.09 1 92 ALA 0.37 0.01 1 93 LYS 2.55 -0.10 1 95 ALA 0.06 0.05 1 96 THR 0.24 -0.01 1 97 ARG 0.62 -0.04 1 98 ARG 0.41 -0.05 1 99 ARG -0.36 -0.03 1 100 LYS -0.98 0.27 1 106 LEU 0.78 -0.03 1 107 SER 2.48 -0.18 1 109 ILE 1.01 -0.14 1 110 LEU -1.89 0.64 1 112 ARG -0.00 -0.08 1 113 SER -2.03 0.61 1 114 ASN -0.49 0.21 1 115 LEU 0.89 0.26 1 116 LYS -1.78 -0.49 1 117 PHE 5.98 0.06 1 118 ALA 0.32 -0.34 1 120 MET -1.14 0.08 1 122 ILE -7.01 0.97 1 123 THR 0.94 0.63 1 124 LEU -4.02 0.98 1 125 THR 0.75 0.84 1 126 VAL -0.95 0.17 1 127 SER -6.50 0.87 1 128 THR 3.31 -0.49 1 129 SER 2.14 -0.04 1 130 SER -2.14 0.42 1 131 LEU 0.48 0.58 1 132 ASN -4.08 0.33 1 133 LEU -1.36 0.60 1 134 MET -5.42 0.44 1 135 ALA -0.40 0.09 1 136 ALA 2.50 -0.18 1 137 ASP 1.49 -0.13 1 139 LYS 2.50 -0.14 1 140 GLN -2.31 0.02 1 141 ILE 0.77 -0.04 1 142 ILE 2.17 -0.67 1 143 ALA -2.54 -0.28 1 144 ASN -1.87 0.25 1 148 GLN 3.62 -0.05 1 149 SER -1.07 0.23 1 150 ILE 0.72 0.91 1 154 SER -3.29 0.10 1 157 ASP 2.55 -0.22 1 159 ASP 1.29 0.08 1 160 THR -0.71 0.35 1 161 ALA 3.54 -0.42 1 164 VAL -3.89 0.46 1 166 TYR -4.14 0.87 1 167 VAL -0.40 0.94 1 168 ALA -7.24 1.17 1 170 ASP -2.74 0.51 1 172 VAL 1.77 -0.02 1 176 ALA -4.80 0.64 1 179 ILE -1.54 0.75 1 180 LEU -3.56 0.97 1 181 GLU -4.73 0.11 1 184 GLU 2.61 -0.45 1 186 LEU -0.93 0.13 1 187 ALA 4.49 -0.44 1 188 GLN 4.60 -0.34 1 189 ASP 5.56 -0.28 1 190 VAL 7.35 -0.99 1 197 ALA 3.65 -0.80 1 199 GLU 3.19 -0.24 1 202 PHE -2.18 0.90 1 203 LYS 2.12 -0.15 1 204 GLN 0.53 -0.14 1 205 TYR 0.43 0.06 1 206 LEU 0.33 0.00 1 207 ARG 0.71 -0.17 1 stop_ save_