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 bmr6418_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.39 _LACS_plot.Line_1_terminator_val_y_1 -3.12 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.93 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.64 _LACS_plot.Line_2_terminator_val_x_2 9.59 _LACS_plot.Line_2_terminator_val_y_2 6.74 _LACS_plot.Y_axis_chem_shift_offset -0.39 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 185 LEU 9.60 2.47 0 88 TRP -0.66 5.44 0 10 ASP -0.31 -0.47 1 11 ASN -0.93 -0.39 1 13 ARG 3.49 2.82 1 14 TRP 6.62 5.55 1 15 ILE 3.73 3.68 1 17 ARG 4.71 4.18 1 18 HIS 3.46 5.20 1 19 LYS 4.46 3.08 1 20 HIS 3.97 5.27 1 21 MET 5.29 0.20 1 22 PHE 4.26 4.88 1 23 ASN 4.04 2.93 1 24 PHE 2.38 1.03 1 25 LEU 1.05 0.63 1 26 ASP -0.46 -2.47 1 27 VAL 4.33 2.82 1 28 ASN 1.36 -1.57 1 29 HIS 3.37 0.79 1 30 ASN -1.90 -1.87 1 32 LYS -7.35 -2.00 1 33 ILE -5.35 -0.99 1 34 SER -8.39 -2.86 1 35 LEU 3.17 2.53 1 36 ASP 3.46 2.34 1 37 GLU 2.14 1.84 1 38 MET -0.39 1.99 1 39 VAL 5.22 4.16 1 40 TYR 4.54 3.79 1 41 LYS 3.53 3.27 1 42 ALA 2.61 3.63 1 43 SER 4.63 3.75 1 44 ASP 2.64 3.24 1 45 ILE 4.04 4.56 1 46 VAL 4.93 3.20 1 47 ILE 5.00 4.19 1 48 ASN 0.04 2.14 1 49 ASN -2.13 1.58 1 50 LEU -0.81 -0.55 1 52 ALA -0.93 0.02 1 53 THR 2.23 0.65 1 55 GLU 4.67 3.76 1 56 GLN 2.51 2.64 1 57 ALA 3.86 2.91 1 58 LYS 3.97 3.01 1 59 ARG 4.09 3.37 1 60 HIS 6.63 6.52 1 61 LYS 5.91 4.48 1 62 ASP 4.32 2.92 1 63 ALA 3.08 2.01 1 64 VAL 6.02 4.61 1 65 GLU 1.63 2.75 1 66 ALA 2.30 2.20 1 67 PHE 5.08 4.81 1 68 PHE 6.50 4.75 1 71 ALA 0.59 -2.12 1 73 MET 1.58 1.96 1 74 LYS -5.81 -0.88 1 75 TYR 3.09 2.04 1 77 VAL -2.84 -1.11 1 78 GLU -1.42 -0.76 1 79 THR 1.59 2.47 1 80 ASP -3.03 -2.42 1 81 TRP 7.83 5.21 1 83 ALA 1.98 1.96 1 84 TYR 2.95 3.94 1 85 ILE 0.03 -1.47 1 86 GLU 3.36 2.60 1 89 LYS 4.11 3.23 1 90 LYS 3.57 2.09 1 91 LEU 4.30 2.93 1 92 ALA 3.04 2.77 1 93 THR 6.59 5.73 1 94 ASP 4.14 3.30 1 95 GLU -0.68 2.17 1 96 LEU 4.20 2.65 1 97 GLU 3.55 2.85 1 98 LYS 4.96 4.42 1 99 TYR 3.46 3.57 1 100 ALA 2.80 2.13 1 101 LYS -0.21 -0.47 1 102 ASN 3.00 1.25 1 103 GLU -2.13 -0.94 1 105 THR -2.05 -1.21 1 106 LEU 3.78 2.95 1 107 ILE 1.44 0.67 1 108 ARG 4.74 2.84 1 109 ILE 5.32 4.17 1 110 TRP 1.45 1.03 1 112 ASP 4.05 3.91 1 113 ALA 2.60 2.36 1 114 LEU 2.16 2.09 1 115 PHE 6.73 3.93 1 116 ASP 2.53 3.74 1 117 ILE 1.73 2.63 1 118 VAL 1.00 1.59 1 119 ASP -1.05 -1.40 1 120 LYS 3.78 1.91 1 121 ASP 0.92 -1.32 1 122 GLN 4.30 1.63 1 123 ASN -1.13 -1.49 1 125 ALA -4.57 -1.03 1 126 ILE -3.89 -1.71 1 127 THR -3.78 -1.84 1 128 LEU 4.96 2.99 1 129 ASP 4.27 3.49 1 130 GLU 3.42 2.65 1 131 TRP -0.96 1.31 1 132 LYS 3.40 3.24 1 133 ALA 3.84 2.55 1 134 TYR 5.36 4.49 1 135 THR 5.49 4.11 1 136 LYS 3.47 2.42 1 137 ALA 2.93 2.13 1 138 ALA 0.24 0.44 1 140 ILE -0.23 1.81 1 141 ILE -1.84 0.36 1 142 GLN -0.34 0.78 1 143 SER -1.63 -1.33 1 144 SER 4.14 4.47 1 145 GLU 4.39 3.11 1 146 ASP 3.79 3.95 1 148 GLU 3.88 2.52 1 149 GLU 3.81 2.56 1 150 THR 4.72 4.46 1 151 PHE 5.02 3.76 1 152 ARG 3.30 3.22 1 156 ILE -1.84 -2.45 1 157 ASP -1.01 -0.12 1 158 GLU 3.66 2.73 1 159 SER 0.45 0.53 1 161 GLN -3.23 -0.96 1 162 LEU -3.87 -1.46 1 163 ASP -3.73 -1.54 1 164 VAL 3.77 2.43 1 165 ASP 4.04 3.94 1 166 GLU 2.85 1.69 1 167 MET 2.42 2.18 1 168 THR -0.57 -1.93 1 169 ARG 6.97 4.71 1 170 GLN 4.25 1.76 1 171 HIS 2.37 2.94 1 172 LEU 4.41 3.82 1 174 PHE -0.35 3.08 1 175 TRP -2.75 -0.57 1 176 TYR -0.60 -0.33 1 177 THR -0.68 0.42 1 178 MET 6.40 2.66 1 181 ALA 1.57 1.35 1 183 GLU 0.65 0.96 1 184 LYS 4.87 1.31 1 186 TYR -1.79 -1.04 1 189 ALA 0.24 2.13 1 190 VAL -7.55 -4.48 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6418_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.39 _LACS_plot.Line_1_terminator_val_y_1 5.27 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.07 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 1.36 _LACS_plot.Line_2_terminator_val_x_2 9.59 _LACS_plot.Line_2_terminator_val_y_2 -2.85 _LACS_plot.Y_axis_chem_shift_offset -0.39 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 185 LEU 9.60 -7.13 0 88 TRP -0.66 6.10 0 10 ASP -0.31 -0.16 1 11 ASN -0.93 0.54 1 13 ARG 3.49 -0.67 1 14 TRP 6.62 -1.07 1 15 ILE 3.73 -0.05 1 17 ARG 4.71 -0.53 1 18 HIS 3.46 1.74 1 19 LYS 4.46 -1.38 1 20 HIS 3.97 1.30 1 21 MET 5.29 -5.09 1 22 PHE 4.26 0.62 1 23 ASN 4.04 -1.11 1 24 PHE 2.38 -1.35 1 25 LEU 1.05 -0.42 1 26 ASP -0.46 -2.01 1 27 VAL 4.33 -1.51 1 28 ASN 1.36 -2.93 1 29 HIS 3.37 -2.58 1 30 ASN -1.90 0.03 1 32 LYS -7.35 5.35 1 33 ILE -5.35 4.36 1 34 SER -8.39 5.53 1 35 LEU 3.17 -0.64 1 36 ASP 3.46 -1.12 1 37 GLU 2.14 -0.30 1 38 MET -0.39 2.38 1 39 VAL 5.22 -1.06 1 40 TYR 4.54 -0.75 1 41 LYS 3.53 -0.26 1 42 ALA 2.61 1.02 1 43 SER 4.63 -0.88 1 44 ASP 2.64 0.60 1 45 ILE 4.04 0.52 1 46 VAL 4.93 -1.73 1 47 ILE 5.00 -0.81 1 48 ASN 0.04 2.10 1 49 ASN -2.13 3.71 1 50 LEU -0.81 0.26 1 52 ALA -0.93 0.95 1 53 THR 2.23 -1.58 1 55 GLU 4.67 -0.91 1 56 GLN 2.51 0.13 1 57 ALA 3.86 -0.95 1 58 LYS 3.97 -0.96 1 59 ARG 4.09 -0.72 1 60 HIS 6.63 -0.11 1 61 LYS 5.91 -1.43 1 62 ASP 4.32 -1.40 1 63 ALA 3.08 -1.07 1 64 VAL 6.02 -1.41 1 65 GLU 1.63 1.12 1 66 ALA 2.30 -0.10 1 67 PHE 5.08 -0.27 1 68 PHE 6.50 -1.75 1 71 ALA 0.59 -2.71 1 73 MET 1.58 0.38 1 74 LYS -5.81 4.93 1 75 TYR 3.09 -1.05 1 77 VAL -2.84 1.73 1 78 GLU -1.42 0.66 1 79 THR 1.59 0.88 1 80 ASP -3.03 0.61 1 81 TRP 7.83 -2.62 1 83 ALA 1.98 -0.02 1 84 TYR 2.95 0.99 1 85 ILE 0.03 -1.50 1 86 GLU 3.36 -0.76 1 89 LYS 4.11 -0.88 1 90 LYS 3.57 -1.48 1 91 LEU 4.30 -1.37 1 92 ALA 3.04 -0.27 1 93 THR 6.59 -0.86 1 94 ASP 4.14 -0.84 1 95 GLU -0.68 2.85 1 96 LEU 4.20 -1.55 1 97 GLU 3.55 -0.70 1 98 LYS 4.96 -0.54 1 99 TYR 3.46 0.11 1 100 ALA 2.80 -0.67 1 101 LYS -0.21 -0.26 1 102 ASN 3.00 -1.75 1 103 GLU -2.13 1.19 1 105 THR -2.05 0.84 1 106 LEU 3.78 -0.83 1 107 ILE 1.44 -0.77 1 108 ARG 4.74 -1.90 1 109 ILE 5.32 -1.15 1 110 TRP 1.45 -0.42 1 112 ASP 4.05 -0.14 1 113 ALA 2.60 -0.24 1 114 LEU 2.16 -0.07 1 115 PHE 6.73 -2.80 1 116 ASP 2.53 1.21 1 117 ILE 1.73 0.90 1 118 VAL 1.00 0.59 1 119 ASP -1.05 -0.35 1 120 LYS 3.78 -1.87 1 121 ASP 0.92 -2.24 1 122 GLN 4.30 -2.67 1 123 ASN -1.13 -0.36 1 125 ALA -4.57 3.54 1 126 ILE -3.89 2.18 1 127 THR -3.78 1.94 1 128 LEU 4.96 -1.97 1 129 ASP 4.27 -0.78 1 130 GLU 3.42 -0.77 1 131 TRP -0.96 2.27 1 132 LYS 3.40 -0.16 1 133 ALA 3.84 -1.29 1 134 TYR 5.36 -0.87 1 135 THR 5.49 -1.38 1 136 LYS 3.47 -1.05 1 137 ALA 2.93 -0.80 1 138 ALA 0.24 0.20 1 140 ILE -0.23 2.04 1 141 ILE -1.84 2.20 1 142 GLN -0.34 1.12 1 143 SER -1.63 0.30 1 144 SER 4.14 0.33 1 145 GLU 4.39 -1.28 1 146 ASP 3.79 0.16 1 148 GLU 3.88 -1.36 1 149 GLU 3.81 -1.25 1 150 THR 4.72 -0.26 1 151 PHE 5.02 -1.26 1 152 ARG 3.30 -0.08 1 156 ILE -1.84 -0.61 1 157 ASP -1.01 0.89 1 158 GLU 3.66 -0.93 1 159 SER 0.45 0.08 1 161 GLN -3.23 2.27 1 162 LEU -3.87 2.41 1 163 ASP -3.73 2.19 1 164 VAL 3.77 -1.34 1 165 ASP 4.04 -0.10 1 166 GLU 2.85 -1.16 1 167 MET 2.42 -0.24 1 168 THR -0.57 -1.36 1 169 ARG 6.97 -2.26 1 170 GLN 4.25 -2.49 1 171 HIS 2.37 0.57 1 172 LEU 4.41 -0.59 1 174 PHE -0.35 3.43 1 175 TRP -2.75 2.18 1 176 TYR -0.60 0.27 1 177 THR -0.68 1.10 1 178 MET 6.40 -3.74 1 181 ALA 1.57 -0.22 1 183 GLU 0.65 0.31 1 184 LYS 4.87 -3.56 1 186 TYR -1.79 0.75 1 189 ALA 0.24 1.89 1 190 VAL -7.55 3.07 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6418_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -8.39 _LACS_plot.Line_1_terminator_val_y_1 -2.16 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.25 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.09 _LACS_plot.Line_2_terminator_val_x_2 9.59 _LACS_plot.Line_2_terminator_val_y_2 3.27 _LACS_plot.Y_axis_chem_shift_offset -0.62 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 185 LEU 9.60 -1.79 0 34 SER -8.39 1.94 0 10 ASP -0.31 0.01 1 11 ASN -0.93 2.10 1 13 ARG 3.49 2.80 1 14 TRP 6.62 1.04 1 15 ILE 3.73 2.34 1 17 ARG 4.71 1.01 1 18 HIS 3.46 3.61 1 19 LYS 4.46 1.73 1 20 HIS 3.97 4.99 1 21 MET 5.29 1.62 1 22 PHE 4.26 0.68 1 23 ASN 4.04 4.75 1 24 PHE 2.38 0.99 1 25 LEU 1.05 0.33 1 26 ASP -0.46 2.09 1 27 VAL 4.33 -0.15 1 28 ASN 1.36 -0.70 1 29 HIS 3.37 -0.15 1 30 ASN -1.90 0.97 1 32 LYS -7.35 -2.41 1 33 ILE -5.35 -2.52 1 35 LEU 3.17 -0.14 1 36 ASP 3.46 2.48 1 37 GLU 2.14 3.55 1 38 MET -0.39 2.33 1 39 VAL 5.22 2.26 1 40 TYR 4.54 2.05 1 41 LYS 3.53 1.38 1 42 ALA 2.61 0.90 1 43 SER 4.63 3.94 1 44 ASP 2.64 2.70 1 45 ILE 4.04 3.28 1 46 VAL 4.93 0.67 1 47 ILE 5.00 1.84 1 48 ASN 0.04 0.84 1 49 ASN -2.13 1.96 1 50 LEU -0.81 -0.37 1 52 ALA -0.93 0.27 1 53 THR 2.23 0.52 1 55 GLU 4.67 3.38 1 56 GLN 2.51 4.88 1 57 ALA 3.86 1.76 1 58 LYS 3.97 0.64 1 59 ARG 4.09 3.22 1 60 HIS 6.63 0.49 1 61 LYS 5.91 1.39 1 62 ASP 4.32 2.54 1 63 ALA 3.08 2.15 1 64 VAL 6.02 0.84 1 65 GLU 1.63 2.83 1 66 ALA 2.30 1.73 1 67 PHE 5.08 -0.96 1 68 PHE 6.50 4.30 1 71 ALA 0.59 -1.86 1 73 MET 1.58 -1.69 1 74 LYS -5.81 -0.67 1 75 TYR 3.09 2.55 1 77 VAL -2.84 -1.26 1 78 GLU -1.42 -1.43 1 79 THR 1.59 -1.02 1 80 ASP -3.03 -1.59 1 81 TRP 7.83 -1.48 1 83 ALA 1.98 2.92 1 84 TYR 2.95 1.19 1 85 ILE 0.03 0.63 1 86 GLU 3.36 3.67 1 88 TRP -0.66 2.36 1 89 LYS 4.11 2.38 1 90 LYS 3.57 0.74 1 91 LEU 4.30 -0.26 1 92 ALA 3.04 1.07 1 93 THR 6.59 1.76 1 94 ASP 4.14 3.24 1 95 GLU -0.68 2.37 1 96 LEU 4.20 2.76 1 97 GLU 3.55 2.45 1 98 LYS 4.96 2.46 1 99 TYR 3.46 4.29 1 100 ALA 2.80 0.98 1 101 LYS -0.21 -1.01 1 102 ASN 3.00 -0.95 1 103 GLU -2.13 -0.33 1 105 THR -2.05 0.74 1 106 LEU 3.78 1.78 1 107 ILE 1.44 3.30 1 108 ARG 4.74 -0.34 1 109 ILE 5.32 2.92 1 110 TRP 1.45 1.14 1 112 ASP 4.05 2.85 1 113 ALA 2.60 2.54 1 114 LEU 2.16 1.75 1 115 PHE 6.73 1.56 1 116 ASP 2.53 0.49 1 117 ILE 1.73 0.45 1 118 VAL 1.00 -0.96 1 119 ASP -1.05 2.08 1 120 LYS 3.78 1.28 1 121 ASP 0.92 -1.02 1 122 GLN 4.30 -1.12 1 123 ASN -1.13 1.25 1 125 ALA -4.57 -2.24 1 126 ILE -3.89 -0.91 1 127 THR -3.78 0.84 1 128 LEU 4.96 1.29 1 129 ASP 4.27 3.33 1 130 GLU 3.42 1.56 1 131 TRP -0.96 3.51 1 132 LYS 3.40 1.08 1 133 ALA 3.84 3.69 1 134 TYR 5.36 0.15 1 135 THR 5.49 3.29 1 136 LYS 3.47 3.33 1 137 ALA 2.93 1.75 1 138 ALA 0.24 -0.54 1 140 ILE -0.23 -3.14 1 141 ILE -1.84 -1.30 1 142 GLN -0.34 -0.12 1 143 SER -1.63 0.65 1 144 SER 4.14 1.31 1 145 GLU 4.39 2.49 1 146 ASP 3.79 1.89 1 148 GLU 3.88 3.43 1 149 GLU 3.81 1.41 1 150 THR 4.72 1.60 1 156 ILE -1.84 -0.47 1 157 ASP -1.01 1.27 1 158 GLU 3.66 0.85 1 159 SER 0.45 0.34 1 161 GLN -3.23 -2.27 1 162 LEU -3.87 -2.76 1 163 ASP -3.73 -0.14 1 164 VAL 3.77 1.82 1 165 ASP 4.04 1.85 1 166 GLU 2.85 1.73 1 167 MET 2.42 1.86 1 168 THR -0.57 0.02 1 169 ARG 6.97 1.35 1 170 GLN 4.25 2.69 1 171 HIS 2.37 3.96 1 172 LEU 4.41 2.17 1 174 PHE -0.35 0.49 1 175 TRP -2.75 3.82 1 176 TYR -0.60 1.86 1 177 THR -0.68 -0.03 1 178 MET 6.40 4.76 1 181 ALA 1.57 1.43 1 183 GLU 0.65 -0.45 1 184 LYS 4.87 0.64 1 186 TYR -1.79 -1.11 1 189 ALA 0.24 -0.41 1 190 VAL -7.55 -3.52 1 stop_ save_