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 bmr6620_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.40 _LACS_plot.Line_1_terminator_val_y_1 -3.21 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 1.41 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.90 _LACS_plot.Line_2_terminator_val_x_2 8.86 _LACS_plot.Line_2_terminator_val_y_2 6.71 _LACS_plot.Y_axis_chem_shift_offset -0.52 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 127 ILE -0.30 -3.38 0 23 TRP -4.28 -2.04 1 24 GLN -4.62 -1.54 1 25 VAL 2.95 1.60 1 26 LEU 0.16 0.85 1 27 SER -0.37 0.66 1 28 THR -4.29 -1.81 1 31 LYS -1.95 0.23 1 32 GLU -3.64 0.15 1 33 ASP 1.31 1.20 1 34 VAL -0.17 0.38 1 35 SER -2.89 -0.81 1 36 TYR -5.76 -1.47 1 37 GLU -6.23 -1.87 1 38 GLU -4.05 -1.14 1 39 ARG -6.28 -2.16 1 40 ALA -0.65 -1.25 1 42 GLU 0.38 1.99 1 45 LYS -1.44 0.21 1 46 PHE -5.80 -1.27 1 47 ALA -3.32 -1.91 1 48 THR -6.56 -4.08 1 49 VAL -5.44 -0.81 1 50 GLU -3.86 -1.06 1 51 VAL -3.37 -0.53 1 52 THR -2.03 -0.52 1 53 ASP 4.23 2.88 1 54 LYS -3.48 -0.36 1 56 VAL 5.96 5.87 1 57 ASP 4.70 4.82 1 58 GLU 1.40 1.89 1 59 ALA 2.52 2.96 1 60 LEU 3.35 3.39 1 61 ARG 3.33 2.87 1 62 GLU 0.42 1.10 1 63 ALA 0.98 3.11 1 64 MET 8.86 5.07 1 66 LYS 4.10 3.76 1 67 ILE 3.71 0.83 1 68 MET 2.50 2.08 1 69 LYS 4.47 3.53 1 70 TYR 4.66 3.70 1 71 VAL 3.38 1.99 1 74 THR 3.14 -0.20 1 75 ASN -3.99 -0.55 1 76 ASP 3.59 3.20 1 77 LYS -2.39 -1.39 1 79 VAL -3.97 -1.89 1 81 MET -3.23 0.24 1 83 MET -2.84 -1.24 1 84 THR 1.65 1.58 1 87 VAL 1.44 1.35 1 88 SER -8.40 -1.87 1 89 PHE -2.89 -1.82 1 90 ALA -3.31 -0.93 1 91 VAL -4.43 -2.90 1 92 PHE -2.26 -0.14 1 96 ASP 0.17 -0.36 1 98 SER -0.58 0.35 1 99 LEU 1.58 1.19 1 100 GLN -1.63 0.40 1 101 LYS 0.21 -1.72 1 102 LYS -2.03 0.38 1 103 LEU -4.25 0.40 1 104 LYS -3.49 0.07 1 105 VAL 0.78 1.65 1 106 TRP -0.89 0.26 1 107 PHE -3.98 -2.36 1 108 ARG 3.05 0.75 1 109 ILE -0.62 -2.41 1 111 ASN 0.91 2.68 1 112 GLN 3.93 3.53 1 113 PHE -0.97 0.47 1 114 GLN 8.32 5.46 1 119 ALA -0.34 0.10 1 121 SER 1.77 1.48 1 122 ASP -1.86 -0.75 1 123 GLU 2.40 2.09 1 124 SER 1.60 2.11 1 125 VAL -0.00 -1.06 1 126 LYS -3.95 -2.36 1 128 GLU -6.41 -1.14 1 129 GLU -4.38 -1.47 1 130 ARG -3.19 0.01 1 131 GLU -1.21 -0.50 1 133 ILE -4.97 -1.11 1 134 THR 0.01 -0.52 1 135 VAL -7.94 -4.80 1 136 TYR -3.02 -1.28 1 137 SER -3.88 -1.87 1 138 THR -2.03 -0.20 1 139 GLN -5.71 -1.21 1 140 PHE -2.37 -1.40 1 143 TYR 1.22 0.15 1 144 ALA -0.83 -0.09 1 145 LYS -3.97 -1.71 1 146 GLU 5.33 5.50 1 147 ALA 3.48 3.37 1 148 ASP 1.68 2.95 1 149 TYR 5.09 4.64 1 150 VAL 4.40 4.26 1 151 ALA 4.21 3.28 1 152 HIS 5.49 6.39 1 153 ALA 5.43 3.93 1 154 THR 5.87 5.27 1 155 GLN 4.24 3.08 1 156 LEU 4.45 3.27 1 160 LEU 0.89 0.36 1 163 THR 0.10 0.51 1 165 ALA -0.71 1.02 1 166 THR -3.09 -1.71 1 167 TYR -5.59 -2.51 1 168 GLN 0.17 0.57 1 170 ASP 0.40 0.16 1 171 VAL -3.79 -2.25 1 172 TYR -1.10 -0.80 1 173 TYR -5.19 -1.80 1 175 ALA -4.93 -1.90 1 177 TYR 0.32 2.09 1 178 ASP -3.21 1.32 1 184 TYR -3.99 -2.12 1 187 ARG -3.46 0.19 1 188 ASN -6.11 -2.17 1 189 GLU -8.30 -2.22 1 190 VAL -3.26 -0.27 1 191 TRP -7.83 -4.95 1 192 LEU -2.02 -1.26 1 193 VAL 0.87 0.90 1 194 LYS 0.56 1.74 1 195 ALA -1.52 0.64 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6620_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.40 _LACS_plot.Line_1_terminator_val_y_1 5.19 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -0.58 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 1.10 _LACS_plot.Line_2_terminator_val_x_2 8.86 _LACS_plot.Line_2_terminator_val_y_2 -2.15 _LACS_plot.Y_axis_chem_shift_offset -0.52 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 127 ILE -0.30 -3.08 0 23 TRP -4.28 2.24 1 24 GLN -4.62 3.08 1 25 VAL 2.95 -1.35 1 26 LEU 0.16 0.69 1 27 SER -0.37 1.03 1 28 THR -4.29 2.48 1 31 LYS -1.95 2.18 1 32 GLU -3.64 3.79 1 33 ASP 1.31 -0.11 1 34 VAL -0.17 0.55 1 35 SER -2.89 2.08 1 36 TYR -5.76 4.29 1 37 GLU -6.23 4.36 1 38 GLU -4.05 2.91 1 39 ARG -6.28 4.12 1 40 ALA -0.65 -0.60 1 42 GLU 0.38 1.61 1 45 LYS -1.44 1.65 1 46 PHE -5.80 4.53 1 47 ALA -3.32 1.41 1 48 THR -6.56 2.48 1 49 VAL -5.44 4.63 1 50 GLU -3.86 2.80 1 51 VAL -3.37 2.84 1 52 THR -2.03 1.51 1 53 ASP 4.23 -1.35 1 54 LYS -3.48 3.12 1 56 VAL 5.96 -0.09 1 57 ASP 4.70 0.12 1 58 GLU 1.40 0.49 1 59 ALA 2.52 0.44 1 60 LEU 3.35 0.04 1 61 ARG 3.33 -0.46 1 62 GLU 0.42 0.68 1 63 ALA 0.98 2.13 1 64 MET 8.86 -3.79 1 66 LYS 4.10 -0.34 1 67 ILE 3.71 -2.88 1 68 MET 2.50 -0.42 1 69 LYS 4.47 -0.94 1 70 TYR 4.66 -0.96 1 71 VAL 3.38 -1.39 1 74 THR 3.14 -3.34 1 75 ASN -3.99 3.44 1 76 ASP 3.59 -0.39 1 77 LYS -2.39 1.00 1 79 VAL -3.97 2.08 1 81 MET -3.23 3.47 1 83 MET -2.84 1.60 1 84 THR 1.65 -0.07 1 87 VAL 1.44 -0.09 1 88 SER -8.40 6.53 1 89 PHE -2.89 1.07 1 90 ALA -3.31 2.38 1 91 VAL -4.43 1.53 1 92 PHE -2.26 2.12 1 96 ASP 0.17 -0.53 1 98 SER -0.58 0.93 1 99 LEU 1.58 -0.39 1 100 GLN -1.63 2.03 1 101 LYS 0.21 -1.93 1 102 LYS -2.03 2.41 1 103 LEU -4.25 4.65 1 104 LYS -3.49 3.56 1 105 VAL 0.78 0.87 1 106 TRP -0.89 1.15 1 107 PHE -3.98 1.62 1 108 ARG 3.05 -2.30 1 109 ILE -0.62 -1.79 1 111 ASN 0.91 1.77 1 112 GLN 3.93 -0.40 1 113 PHE -0.97 1.44 1 114 GLN 8.32 -2.86 1 119 ALA -0.34 0.44 1 121 SER 1.77 -0.29 1 122 ASP -1.86 1.11 1 123 GLU 2.40 -0.31 1 124 SER 1.60 0.51 1 125 VAL -0.00 -1.06 1 126 LYS -3.95 1.59 1 128 GLU -6.41 5.27 1 129 GLU -4.38 2.91 1 130 ARG -3.19 3.20 1 131 GLU -1.21 0.71 1 133 ILE -4.97 3.86 1 134 THR 0.01 -0.53 1 135 VAL -7.94 3.14 1 136 TYR -3.02 1.74 1 137 SER -3.88 2.01 1 138 THR -2.03 1.83 1 139 GLN -5.71 4.50 1 140 PHE -2.37 0.97 1 143 TYR 1.22 -1.07 1 144 ALA -0.83 0.74 1 145 LYS -3.97 2.26 1 146 GLU 5.33 0.17 1 147 ALA 3.48 -0.11 1 148 ASP 1.68 1.27 1 149 TYR 5.09 -0.45 1 150 VAL 4.40 -0.14 1 151 ALA 4.21 -0.93 1 152 HIS 5.49 0.90 1 153 ALA 5.43 -1.50 1 154 THR 5.87 -0.60 1 155 GLN 4.24 -1.16 1 156 LEU 4.45 -1.18 1 160 LEU 0.89 -0.53 1 163 THR 0.10 0.41 1 165 ALA -0.71 1.73 1 166 THR -3.09 1.38 1 167 TYR -5.59 3.08 1 168 GLN 0.17 0.40 1 170 ASP 0.40 -0.24 1 171 VAL -3.79 1.54 1 172 TYR -1.10 0.30 1 173 TYR -5.19 3.39 1 175 ALA -4.93 3.03 1 177 TYR 0.32 1.77 1 178 ASP -3.21 4.53 1 184 TYR -3.99 1.87 1 187 ARG -3.46 3.65 1 188 ASN -6.11 3.94 1 189 GLU -8.30 6.08 1 190 VAL -3.26 2.99 1 191 TRP -7.83 2.88 1 192 LEU -2.02 0.76 1 193 VAL 0.87 0.03 1 194 LYS 0.56 1.18 1 195 ALA -1.52 2.16 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6620_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -8.40 _LACS_plot.Line_1_terminator_val_y_1 1.08 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -0.09 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.36 _LACS_plot.Line_2_terminator_val_x_2 8.86 _LACS_plot.Line_2_terminator_val_y_2 -0.83 _LACS_plot.Y_axis_chem_shift_offset -0.14 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 108 ARG 3.05 -1.45 0 23 TRP -4.28 0.71 1 24 GLN -4.62 0.50 1 25 VAL 2.95 0.03 1 26 LEU 0.16 -0.10 1 27 SER -0.37 0.17 1 28 THR -4.29 0.46 1 31 LYS -1.95 0.19 1 32 GLU -3.64 0.42 1 33 ASP 1.31 -0.03 1 34 VAL -0.17 0.24 1 35 SER -2.89 0.76 1 36 TYR -5.76 1.40 1 37 GLU -6.23 0.46 1 38 GLU -4.05 0.82 1 39 ARG -6.28 0.74 1 40 ALA -0.65 0.54 1 42 GLU 0.38 -0.05 1 45 LYS -1.44 0.74 1 46 PHE -5.80 0.53 1 47 ALA -3.32 1.19 1 48 THR -6.56 0.96 1 49 VAL -5.44 0.29 1 50 GLU -3.86 0.80 1 51 VAL -3.37 0.32 1 52 THR -2.03 0.44 1 53 ASP 4.23 -0.28 1 54 LYS -3.48 0.29 1 56 VAL 5.96 -0.63 1 57 ASP 4.70 -0.19 1 58 GLU 1.40 -0.31 1 59 ALA 2.52 -0.50 1 60 LEU 3.35 -0.69 1 61 ARG 3.33 -0.30 1 62 GLU 0.42 -0.09 1 63 ALA 0.98 -0.31 1 64 MET 8.86 -0.18 1 66 LYS 4.10 -0.31 1 67 ILE 3.71 -0.53 1 68 MET 2.50 -0.36 1 69 LYS 4.47 -0.30 1 70 TYR 4.66 -0.06 1 71 VAL 3.38 -0.47 1 74 THR 3.14 0.13 1 75 ASN -3.99 0.43 1 76 ASP 3.59 -0.38 1 77 LYS -2.39 0.22 1 79 VAL -3.97 0.23 1 81 MET -3.23 -0.24 1 83 MET -2.84 0.48 1 84 THR 1.65 0.42 1 87 VAL 1.44 0.53 1 88 SER -8.40 1.38 1 89 PHE -2.89 1.14 1 90 ALA -3.31 -0.03 1 91 VAL -4.43 0.33 1 92 PHE -2.26 0.16 1 96 ASP 0.17 -0.09 1 100 GLN -1.63 0.31 1 101 LYS 0.21 0.53 1 103 LEU -4.25 0.98 1 104 LYS -3.49 1.18 1 105 VAL 0.78 0.25 1 106 TRP -0.89 -0.09 1 107 PHE -3.98 0.80 1 109 ILE -0.62 -0.38 1 111 ASN 0.91 0.22 1 112 GLN 3.93 0.05 1 114 GLN 8.32 -0.99 1 119 ALA -0.34 0.05 1 121 SER 1.77 0.04 1 122 ASP -1.86 -0.04 1 123 GLU 2.40 -0.22 1 124 SER 1.60 -0.17 1 125 VAL -0.00 0.39 1 126 LYS -3.95 0.24 1 127 ILE -0.30 1.19 1 128 GLU -6.41 0.57 1 129 GLU -4.38 1.16 1 130 ARG -3.19 0.24 1 131 GLU -1.21 0.31 1 133 ILE -4.97 0.53 1 134 THR 0.01 1.12 1 135 VAL -7.94 1.17 1 136 TYR -3.02 0.47 1 137 SER -3.88 1.63 1 138 THR -2.03 0.75 1 139 GLN -5.71 1.57 1 140 PHE -2.37 0.36 1 143 TYR 1.22 -0.02 1 144 ALA -0.83 0.16 1 145 LYS -3.97 0.64 1 146 GLU 5.33 0.28 1 147 ALA 3.48 -0.24 1 148 ASP 1.68 -0.12 1 149 TYR 5.09 -0.20 1 150 VAL 4.40 -0.25 1 151 ALA 4.21 -0.26 1 152 HIS 5.49 -0.63 1 153 ALA 5.43 -0.55 1 154 THR 5.87 -0.64 1 155 GLN 4.24 -0.33 1 156 LEU 4.45 -0.37 1 160 LEU 0.89 -0.40 1 163 THR 0.10 0.41 1 165 ALA -0.71 -0.10 1 166 THR -3.09 0.01 1 167 TYR -5.59 1.18 1 168 GLN 0.17 0.02 1 170 ASP 0.40 0.04 1 171 VAL -3.79 0.56 1 172 TYR -1.10 -0.01 1 173 TYR -5.19 1.04 1 175 ALA -4.93 0.83 1 177 TYR 0.32 0.00 1 178 ASP -3.21 0.40 1 184 TYR -3.99 0.40 1 187 ARG -3.46 0.02 1 188 ASN -6.11 0.72 1 189 GLU -8.30 1.10 1 190 VAL -3.26 0.70 1 191 TRP -7.83 1.12 1 192 LEU -2.02 0.77 1 193 VAL 0.87 -0.01 1 194 LYS 0.56 0.26 1 195 ALA -1.52 -0.07 1 stop_ save_