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 bmr17842_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.28 _LACS_plot.Line_1_terminator_val_y_1 -3.20 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.45 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.38 _LACS_plot.Line_2_terminator_val_x_2 5.04 _LACS_plot.Line_2_terminator_val_y_2 2.64 _LACS_plot.Y_axis_chem_shift_offset 0.25 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 50 GLU 5.05 3.84 0 11 GLU -4.32 -2.86 1 12 THR 0.50 0.07 1 13 SER -1.82 -1.37 1 14 ASN -2.09 -1.21 1 15 ASN -0.01 -0.32 1 21 SER 0.34 -0.15 1 22 LEU 0.24 0.17 1 23 ASN 0.53 -0.11 1 24 ARG 0.90 0.37 1 25 ASN 0.57 -0.04 1 26 LEU 0.44 0.23 1 27 ASN 0.34 -0.14 1 28 SER -0.30 -0.42 1 30 ASN 0.57 -0.05 1 31 LEU 0.12 0.01 1 32 ASP 0.47 0.13 1 33 LYS 0.03 -0.33 1 34 VAL 0.30 -0.01 1 35 ILE -0.30 -0.61 1 36 ASP -1.14 -0.48 1 37 ASN 0.30 0.06 1 38 THR 0.60 0.42 1 40 THR -2.18 -0.48 1 41 TRP -4.69 -2.38 1 43 ILE -5.82 -2.49 1 44 ARG -6.16 -3.11 1 45 ALA -4.56 -1.88 1 47 GLN -4.84 -1.33 1 48 GLN -2.46 -1.11 1 49 PHE -3.06 -2.69 1 51 GLN 0.92 0.14 1 53 ARG -2.62 -1.77 1 54 TYR -5.34 -2.60 1 55 TYR -0.80 -2.01 1 56 ALA -5.03 -3.35 1 57 THR -2.22 -0.34 1 58 TYR -4.74 -2.22 1 59 GLU -7.52 -3.68 1 61 ILE -2.09 -0.12 1 62 SER -1.51 -1.00 1 63 ASP -2.29 -0.91 1 64 THR 0.75 -0.19 1 65 SER 1.72 1.43 1 68 ASN -0.41 -0.37 1 73 GLN -7.10 -2.16 1 74 ASN -4.00 -2.83 1 75 LEU -3.41 -1.18 1 76 LEU -4.89 -2.17 1 78 SER -2.83 -1.03 1 79 TYR -5.43 -1.66 1 80 ASP -6.23 -1.54 1 81 ALA -5.17 -2.76 1 82 PHE -7.56 -5.04 1 83 LEU -4.90 -1.23 1 85 ILE -2.87 -1.83 1 87 ASP -0.70 -0.67 1 88 ASN 1.54 0.82 1 89 ASN 2.53 1.29 1 90 THR 1.46 0.37 1 91 LYS -3.19 -1.79 1 92 LEU -2.48 -1.27 1 93 PHE -7.05 -2.56 1 96 ALA -7.43 -3.10 1 97 THR -3.32 -0.07 1 98 LEU -6.47 -1.63 1 100 LEU -6.28 -2.03 1 101 VAL -5.04 -2.53 1 102 LYS -4.40 -1.77 1 103 LEU -4.21 -1.61 1 104 GLU -5.12 -1.97 1 105 GLN -1.87 -1.02 1 106 ASP -0.44 -0.09 1 108 LYS 1.18 0.04 1 110 PHE -0.08 -0.37 1 111 LYS 0.09 -0.27 1 112 ARG 0.10 -0.12 1 113 ASP -0.16 0.02 1 114 SER -1.27 -0.76 1 115 ASP -1.53 -0.24 1 116 VAL -2.03 -1.42 1 118 TYR -4.22 -1.93 1 119 ALA -6.93 -2.84 1 120 ALA -5.52 -2.16 1 122 LEU -7.85 -1.87 1 123 GLN -0.44 -1.70 1 124 ALA -4.61 -1.70 1 126 ILE -5.87 -2.51 1 127 LEU -5.97 -1.57 1 128 GLN -4.06 -2.51 1 129 GLU 1.72 -0.42 1 130 LEU -1.38 0.07 1 131 SER -3.45 -2.31 1 132 LYS 4.39 2.30 1 133 ASN -1.45 0.48 1 134 ALA -4.37 -1.34 1 135 SER -4.59 -2.14 1 136 ILE -6.58 -2.68 1 137 GLU -8.28 -3.06 1 140 TYR -7.06 -2.72 1 141 ARG -4.53 -2.19 1 142 TYR -4.31 -1.47 1 143 LEU -5.73 -2.21 1 144 ARG -2.40 -1.92 1 145 THR -3.22 -2.68 1 146 ASN -0.78 -1.22 1 147 ALA 0.15 -0.32 1 148 SER -1.91 -1.02 1 149 THR 0.08 -0.61 1 150 GLU -0.63 -0.60 1 151 MET -0.50 -0.15 1 152 THR -2.00 -2.43 1 157 ASN 0.06 -0.31 1 158 LYS 0.97 0.27 1 159 LEU -0.23 0.06 1 161 SER -0.39 -0.33 1 162 LEU -1.37 -0.72 1 163 ASP -0.90 -0.80 1 167 SER -3.03 -1.54 1 168 SER -3.67 -1.73 1 169 GLN -4.64 -1.66 1 170 PHE -3.45 -1.50 1 171 TYR -5.49 -1.85 1 172 LEU -6.50 -2.36 1 174 ALA -4.73 -2.19 1 175 ASN -4.56 -1.50 1 176 TYR -5.06 -1.46 1 177 LYS -2.81 -1.96 1 178 PHE -0.68 -1.22 1 179 LEU -0.70 -0.52 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17842_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.28 _LACS_plot.Line_1_terminator_val_y_1 5.08 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.55 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.62 _LACS_plot.Line_2_terminator_val_x_2 5.04 _LACS_plot.Line_2_terminator_val_y_2 -2.40 _LACS_plot.Y_axis_chem_shift_offset 0.25 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 50 GLU 5.05 -1.21 0 11 GLU -4.32 1.46 1 12 THR 0.50 -0.43 1 13 SER -1.82 0.45 1 14 ASN -2.09 0.88 1 15 ASN -0.01 -0.31 1 21 SER 0.34 -0.49 1 22 LEU 0.24 -0.07 1 23 ASN 0.53 -0.64 1 24 ARG 0.90 -0.53 1 25 ASN 0.57 -0.61 1 26 LEU 0.44 -0.21 1 27 ASN 0.34 -0.48 1 28 SER -0.30 -0.12 1 30 ASN 0.57 -0.62 1 31 LEU 0.12 -0.11 1 32 ASP 0.47 -0.34 1 33 LYS 0.03 -0.36 1 34 VAL 0.30 -0.31 1 35 ILE -0.30 -0.31 1 36 ASP -1.14 0.66 1 37 ASN 0.30 -0.24 1 38 THR 0.60 -0.18 1 40 THR -2.18 1.70 1 41 TRP -4.69 2.31 1 43 ILE -5.82 3.33 1 44 ARG -6.16 3.05 1 45 ALA -4.56 2.68 1 47 GLN -4.84 3.51 1 48 GLN -2.46 1.35 1 49 PHE -3.06 0.37 1 51 GLN 0.92 -0.78 1 53 ARG -2.62 0.85 1 54 TYR -5.34 2.74 1 55 TYR -0.80 -1.21 1 56 ALA -5.03 1.68 1 57 THR -2.22 1.88 1 58 TYR -4.74 2.52 1 59 GLU -7.52 3.84 1 61 ILE -2.09 1.97 1 62 SER -1.51 0.51 1 63 ASP -2.29 1.38 1 64 THR 0.75 -0.94 1 65 SER 1.72 -0.29 1 68 ASN -0.41 0.04 1 73 GLN -7.10 4.94 1 74 ASN -4.00 1.17 1 75 LEU -3.41 2.23 1 76 LEU -4.89 2.72 1 78 SER -2.83 1.80 1 79 TYR -5.43 3.77 1 80 ASP -6.23 4.69 1 81 ALA -5.17 2.41 1 82 PHE -7.56 2.52 1 83 LEU -4.90 3.67 1 85 ILE -2.87 1.04 1 87 ASP -0.70 0.03 1 88 ASN 1.54 -0.72 1 89 ASN 2.53 -1.24 1 90 THR 1.46 -1.09 1 91 LYS -3.19 1.40 1 92 LEU -2.48 1.21 1 93 PHE -7.05 4.49 1 96 ALA -7.43 4.33 1 97 THR -3.32 3.25 1 98 LEU -6.47 4.84 1 100 LEU -6.28 4.25 1 101 VAL -5.04 2.51 1 102 LYS -4.40 2.63 1 103 LEU -4.21 2.60 1 104 GLU -5.12 3.15 1 105 GLN -1.87 0.85 1 106 ASP -0.44 0.35 1 108 LYS 1.18 -1.14 1 110 PHE -0.08 -0.29 1 111 LYS 0.09 -0.36 1 112 ARG 0.10 -0.22 1 113 ASP -0.16 0.18 1 114 SER -1.27 0.51 1 115 ASP -1.53 1.29 1 116 VAL -2.03 0.61 1 118 TYR -4.22 2.29 1 119 ALA -6.93 4.09 1 120 ALA -5.52 3.36 1 122 LEU -7.85 5.98 1 123 GLN -0.44 -1.26 1 124 ALA -4.61 2.91 1 126 ILE -5.87 3.36 1 127 LEU -5.97 4.40 1 128 GLN -4.06 1.55 1 129 GLU 1.72 -2.14 1 130 LEU -1.38 1.45 1 131 SER -3.45 1.14 1 132 LYS 4.39 -2.09 1 133 ASN -1.45 1.93 1 134 ALA -4.37 3.03 1 135 SER -4.59 2.45 1 136 ILE -6.58 3.90 1 137 GLU -8.28 5.22 1 140 TYR -7.06 4.34 1 141 ARG -4.53 2.34 1 142 TYR -4.31 2.84 1 143 LEU -5.73 3.52 1 144 ARG -2.40 0.48 1 145 THR -3.22 0.54 1 146 ASN -0.78 -0.44 1 147 ALA 0.15 -0.47 1 148 SER -1.91 0.89 1 149 THR 0.08 -0.69 1 150 GLU -0.63 0.03 1 151 MET -0.50 0.35 1 152 THR -2.00 -0.43 1 157 ASN 0.06 -0.37 1 158 LYS 0.97 -0.70 1 159 LEU -0.23 0.29 1 161 SER -0.39 0.06 1 162 LEU -1.37 0.65 1 163 ASP -0.90 0.10 1 167 SER -3.03 1.49 1 168 SER -3.67 1.94 1 169 GLN -4.64 2.98 1 170 PHE -3.45 1.95 1 171 TYR -5.49 3.64 1 172 LEU -6.50 4.14 1 174 ALA -4.73 2.54 1 175 ASN -4.56 3.06 1 176 TYR -5.06 3.60 1 177 LYS -2.81 0.85 1 178 PHE -0.68 -0.54 1 179 LEU -0.70 0.18 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17842_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -8.28 _LACS_plot.Line_1_terminator_val_y_1 -2.98 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.02 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.18 _LACS_plot.Line_2_terminator_val_x_2 5.04 _LACS_plot.Line_2_terminator_val_y_2 1.07 _LACS_plot.Y_axis_chem_shift_offset 0.55 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 82 PHE -7.56 0.50 0 11 GLU -4.32 -0.79 1 12 THR 0.50 -0.47 1 13 SER -1.82 -1.02 1 14 ASN -2.09 -0.53 1 15 ASN -0.01 0.69 1 21 SER 0.34 -0.04 1 22 LEU 0.24 -0.63 1 23 ASN 0.53 -0.08 1 24 ARG 0.90 -0.45 1 25 ASN 0.57 -0.08 1 26 LEU 0.44 -0.70 1 27 ASN 0.34 -0.45 1 28 SER -0.30 -0.32 1 30 ASN 0.57 -0.13 1 31 LEU 0.12 -0.80 1 32 ASP 0.47 -0.44 1 33 LYS 0.03 -0.69 1 34 VAL 0.30 -0.61 1 35 ILE -0.30 -1.13 1 36 ASP -1.14 -1.29 1 37 ASN 0.30 -0.38 1 38 THR 0.60 0.53 1 40 THR -2.18 -1.79 1 41 TRP -4.69 -1.47 1 43 ILE -5.82 -3.33 1 44 ARG -6.16 -1.36 1 45 ALA -4.56 -2.11 1 47 GLN -4.84 -2.33 1 48 GLN -2.46 -2.71 1 49 PHE -3.06 0.12 1 50 GLU 5.05 1.85 1 51 GLN 0.92 0.03 1 53 ARG -2.62 -3.90 1 54 TYR -5.34 -0.44 1 55 TYR -0.80 -2.47 1 56 ALA -5.03 -2.06 1 57 THR -2.22 -1.24 1 58 TYR -4.74 -1.95 1 59 GLU -7.52 -2.61 1 61 ILE -2.09 -1.50 1 62 SER -1.51 -1.57 1 63 ASP -2.29 0.27 1 64 THR 0.75 1.27 1 68 ASN -0.41 -0.96 1 73 GLN -7.10 -2.72 1 74 ASN -4.00 -1.47 1 75 LEU -3.41 -3.33 1 76 LEU -4.89 -2.41 1 78 SER -2.83 -3.32 1 79 TYR -5.43 -2.14 1 80 ASP -6.23 -2.69 1 81 ALA -5.17 -0.71 1 83 LEU -4.90 -2.10 1 85 ILE -2.87 -0.65 1 87 ASP -0.70 -0.46 1 88 ASN 1.54 -0.10 1 89 ASN 2.53 -1.29 1 90 THR 1.46 -0.94 1 91 LYS -3.19 -0.79 1 92 LEU -2.48 -1.34 1 93 PHE -7.05 -2.65 1 96 ALA -7.43 -0.87 1 97 THR -3.32 -2.21 1 98 LEU -6.47 -1.85 1 100 LEU -6.28 -2.72 1 101 VAL -5.04 -2.29 1 102 LYS -4.40 -1.89 1 103 LEU -4.21 -2.26 1 104 GLU -5.12 -1.88 1 105 GLN -1.87 -1.00 1 106 ASP -0.44 0.05 1 108 LYS 1.18 0.39 1 110 PHE -0.08 -0.61 1 111 LYS 0.09 -0.70 1 112 ARG 0.10 -0.54 1 113 ASP -0.16 -0.42 1 114 SER -1.27 -1.03 1 115 ASP -1.53 -1.20 1 116 VAL -2.03 -0.95 1 118 TYR -4.22 -0.88 1 119 ALA -6.93 -2.58 1 120 ALA -5.52 -1.92 1 122 LEU -7.85 -2.92 1 123 GLN -0.44 -2.10 1 124 ALA -4.61 -2.84 1 126 ILE -5.87 -4.05 1 127 LEU -5.97 -3.99 1 128 GLN -4.06 -0.91 1 129 GLU 1.72 0.05 1 130 LEU -1.38 -1.56 1 131 SER -3.45 -0.51 1 132 LYS 4.39 -0.25 1 133 ASN -1.45 -1.30 1 134 ALA -4.37 -1.55 1 135 SER -4.59 -2.09 1 136 ILE -6.58 -3.26 1 137 GLU -8.28 -2.81 1 140 TYR -7.06 -2.26 1 141 ARG -4.53 -2.77 1 142 TYR -4.31 -2.43 1 143 LEU -5.73 -2.23 1 144 ARG -2.40 -0.85 1 145 THR -3.22 -1.99 1 146 ASN -0.78 0.14 1 147 ALA 0.15 -1.42 1 148 SER -1.91 -0.48 1 149 THR 0.08 -0.84 1 150 GLU -0.63 -0.48 1 151 MET -0.50 -0.49 1 152 THR -2.00 -1.79 1 157 ASN 0.06 -0.17 1 158 LYS 0.97 -0.24 1 159 LEU -0.23 -0.19 1 161 SER -0.39 -0.88 1 162 LEU -1.37 -1.99 1 163 ASP -0.90 -1.18 1 167 SER -3.03 -1.28 1 168 SER -3.67 -2.10 1 169 GLN -4.64 -1.30 1 170 PHE -3.45 -1.17 1 171 TYR -5.49 -4.17 1 172 LEU -6.50 -1.25 1 174 ALA -4.73 -3.25 1 175 ASN -4.56 -1.83 1 176 TYR -5.06 -1.98 1 177 LYS -2.81 -2.26 1 178 PHE -0.68 -0.64 1 179 LEU -0.70 -0.44 1 stop_ save_