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 bmr16685_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -9.19 _LACS_plot.Line_1_terminator_val_y_1 -3.37 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.80 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.37 _LACS_plot.Line_2_terminator_val_x_2 5.40 _LACS_plot.Line_2_terminator_val_y_2 3.61 _LACS_plot.Y_axis_chem_shift_offset -0.02 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 126 ILE -0.89 -3.64 0 10 ASP 0.43 0.60 1 11 TYR -1.71 -1.05 1 12 LYS -0.99 -0.58 1 14 ILE -1.26 -0.06 1 15 LEU 1.42 0.52 1 16 ALA -7.41 -1.89 1 17 THR -3.10 -0.82 1 18 VAL 2.46 1.57 1 19 ILE -1.59 -0.36 1 20 ALA -1.71 0.64 1 21 ARG -1.03 0.12 1 22 SER -0.42 0.01 1 24 ASP 1.71 1.33 1 25 ASN 0.09 -0.30 1 26 TRP 2.31 3.05 1 27 ALA -0.23 -0.22 1 28 LYS -0.08 1.43 1 29 GLN -5.10 -0.95 1 30 VAL -4.68 -2.70 1 31 THR -0.23 0.23 1 32 ILE -4.98 -2.04 1 33 ASN 0.78 -0.15 1 34 LYS -6.72 -2.41 1 36 THR 5.41 3.69 1 37 GLN 4.34 2.60 1 38 GLN 3.28 0.53 1 39 ASN 4.46 2.06 1 40 VAL 3.62 2.36 1 41 ALA -6.95 -2.74 1 42 LYS 1.26 0.79 1 43 ASP 4.97 2.91 1 44 MET 1.33 1.76 1 45 ALA -0.68 -0.30 1 46 VAL -3.51 -2.32 1 47 THR -4.08 -2.06 1 48 ASN -0.23 -1.62 1 49 GLU 3.66 2.85 1 50 LYS -0.40 -0.92 1 52 ALA -2.19 -1.79 1 53 LEU -0.50 1.44 1 54 ILE -1.94 -0.26 1 56 LYS -6.03 -2.33 1 57 ILE 1.18 -2.02 1 58 LYS -0.49 0.42 1 62 LEU 2.06 0.55 1 63 ASN -3.54 -1.20 1 64 ASN 3.96 3.31 1 65 PHE -2.32 -0.70 1 66 THR -6.03 -2.48 1 67 SER -2.35 -0.13 1 68 ALA -4.84 -2.29 1 69 VAL -2.79 -1.90 1 70 GLN -0.86 -1.01 1 71 LEU -2.17 -0.40 1 72 LEU 0.79 1.74 1 73 SER 0.24 -1.64 1 74 ASP -0.15 0.50 1 75 THR 1.19 0.67 1 76 ASP -3.17 -1.67 1 77 ARG 2.94 2.05 1 78 ASN 0.59 0.39 1 79 ASN -0.12 -0.69 1 80 ARG -2.22 -0.48 1 81 VAL -3.45 -0.63 1 82 ALA 0.64 0.65 1 83 THR -4.94 -2.57 1 84 LYS -4.28 -1.17 1 85 ILE -2.29 -0.70 1 86 SER -1.80 0.03 1 89 LYS -0.05 -0.90 1 91 SER 0.86 0.87 1 92 LYS -1.85 -0.20 1 94 TYR -4.75 -0.89 1 96 LEU -4.51 -0.66 1 97 ILE 1.24 -0.17 1 98 GLU -2.71 -0.82 1 100 TYR -3.28 -0.57 1 101 ASP -3.18 -1.61 1 102 LYS 3.04 2.49 1 103 GLU 2.58 2.13 1 104 LYS 0.10 0.35 1 105 LYS 5.28 0.78 1 106 ARG -8.94 -3.90 1 107 LEU -1.50 -0.65 1 108 LYS -0.78 -0.01 1 109 MET -7.46 -1.93 1 110 THR -0.75 -0.57 1 111 ILE 1.77 0.44 1 112 ILE 0.22 0.01 1 113 GLU -4.57 -0.58 1 114 ARG -2.88 -1.25 1 115 LYS -0.70 -0.58 1 116 ASP 1.65 1.64 1 117 LYS 3.93 1.31 1 118 GLN -2.40 -0.68 1 119 ASP -4.06 -1.71 1 120 VAL 0.98 0.30 1 121 LYS -6.40 -2.61 1 122 LYS 3.50 2.68 1 124 ASP 2.32 1.84 1 125 LEU -1.50 -0.25 1 127 GLU -9.19 -2.76 1 128 THR 2.02 0.74 1 129 SER -1.26 -0.62 1 131 THR 1.81 1.16 1 134 VAL 2.10 1.65 1 135 PHE -0.32 -0.68 1 137 GLU -1.08 -0.17 1 139 LEU 0.04 -1.32 1 140 THR 4.52 4.33 1 141 ILE 2.49 2.39 1 143 GLU -7.44 -2.91 1 144 VAL 2.02 1.29 1 145 THR 0.86 0.72 1 146 ASP -4.80 -0.33 1 147 ILE -5.52 -1.41 1 148 GLU -4.00 -1.37 1 149 SER -2.31 -0.77 1 150 ASP -2.38 -1.57 1 151 SER 3.77 2.66 1 152 TYR 0.46 -0.19 1 154 LEU -1.41 -1.23 1 155 THR 4.65 3.24 1 156 LYS -1.46 0.21 1 157 VAL -4.73 -1.51 1 158 ALA -7.01 -3.35 1 159 TYR -0.29 -0.42 1 160 VAL -4.07 -1.65 1 161 LYS -3.06 -0.66 1 163 ALA 0.83 0.88 1 164 ALA -2.41 -1.16 1 165 ASP -0.50 -1.01 1 166 LEU 2.03 0.62 1 167 THR 2.09 1.75 1 168 ASP -1.15 -1.02 1 169 LEU -3.87 -1.60 1 170 ASN 0.92 2.02 1 171 ASN -0.06 0.34 1 172 VAL -6.01 -3.86 1 173 ILE -1.71 -0.93 1 174 VAL 0.49 -0.52 1 175 VAL 1.93 0.41 1 176 ASN -1.66 -0.43 1 177 ARG -0.14 0.33 1 178 ASP 0.35 1.83 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr16685_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -9.19 _LACS_plot.Line_1_terminator_val_y_1 5.82 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.20 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.63 _LACS_plot.Line_2_terminator_val_x_2 5.40 _LACS_plot.Line_2_terminator_val_y_2 -1.79 _LACS_plot.Y_axis_chem_shift_offset -0.02 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 126 ILE -0.89 -2.75 0 10 ASP 0.43 0.17 1 11 TYR -1.71 0.66 1 12 LYS -0.99 0.41 1 14 ILE -1.26 1.20 1 15 LEU 1.42 -0.90 1 16 ALA -7.41 5.52 1 17 THR -3.10 2.28 1 18 VAL 2.46 -0.89 1 19 ILE -1.59 1.23 1 20 ALA -1.71 2.35 1 21 ARG -1.03 1.15 1 22 SER -0.42 0.43 1 24 ASP 1.71 -0.38 1 25 ASN 0.09 -0.39 1 26 TRP 2.31 0.74 1 27 ALA -0.23 0.01 1 28 LYS -0.08 1.51 1 29 GLN -5.10 4.15 1 30 VAL -4.68 1.98 1 31 THR -0.23 0.46 1 32 ILE -4.98 2.94 1 33 ASN 0.78 -0.93 1 34 LYS -6.72 4.31 1 36 THR 5.41 -1.72 1 37 GLN 4.34 -1.74 1 38 GLN 3.28 -2.75 1 39 ASN 4.46 -2.40 1 40 VAL 3.62 -1.26 1 41 ALA -6.95 4.21 1 42 LYS 1.26 -0.47 1 43 ASP 4.97 -2.06 1 44 MET 1.33 0.43 1 45 ALA -0.68 0.38 1 46 VAL -3.51 1.19 1 47 THR -4.08 2.02 1 48 ASN -0.23 -1.39 1 49 GLU 3.66 -0.81 1 50 LYS -0.40 -0.52 1 52 ALA -2.19 0.40 1 53 LEU -0.50 1.94 1 54 ILE -1.94 1.68 1 56 LYS -6.03 3.70 1 57 ILE 1.18 -3.20 1 58 LYS -0.49 0.91 1 62 LEU 2.06 -1.51 1 63 ASN -3.54 2.34 1 64 ASN 3.96 -0.65 1 65 PHE -2.32 1.62 1 66 THR -6.03 3.55 1 67 SER -2.35 2.22 1 68 ALA -4.84 2.55 1 69 VAL -2.79 0.89 1 70 GLN -0.86 -0.15 1 71 LEU -2.17 1.77 1 72 LEU 0.79 0.95 1 73 SER 0.24 -1.88 1 74 ASP -0.15 0.65 1 75 THR 1.19 -0.52 1 76 ASP -3.17 1.50 1 77 ARG 2.94 -0.89 1 78 ASN 0.59 -0.20 1 79 ASN -0.12 -0.57 1 80 ARG -2.22 1.74 1 81 VAL -3.45 2.82 1 82 ALA 0.64 0.01 1 83 THR -4.94 2.37 1 84 LYS -4.28 3.11 1 85 ILE -2.29 1.59 1 86 SER -1.80 1.83 1 89 LYS -0.05 -0.85 1 91 SER 0.86 0.01 1 92 LYS -1.85 1.65 1 94 TYR -4.75 3.86 1 96 LEU -4.51 3.85 1 97 ILE 1.24 -1.41 1 98 GLU -2.71 1.89 1 100 TYR -3.28 2.71 1 101 ASP -3.18 1.57 1 102 LYS 3.04 -0.55 1 103 GLU 2.58 -0.45 1 104 LYS 0.10 0.25 1 105 LYS 5.28 -4.50 1 106 ARG -8.94 5.04 1 107 LEU -1.50 0.85 1 108 LYS -0.78 0.77 1 109 MET -7.46 5.53 1 110 THR -0.75 0.18 1 111 ILE 1.77 -1.33 1 112 ILE 0.22 -0.21 1 113 GLU -4.57 3.99 1 114 ARG -2.88 1.63 1 115 LYS -0.70 0.12 1 116 ASP 1.65 -0.01 1 117 LYS 3.93 -2.62 1 118 GLN -2.40 1.72 1 119 ASP -4.06 2.35 1 120 VAL 0.98 -0.68 1 121 LYS -6.40 3.79 1 122 LYS 3.50 -0.82 1 124 ASP 2.32 -0.48 1 125 LEU -1.50 1.25 1 127 GLU -9.19 6.43 1 128 THR 2.02 -1.28 1 129 SER -1.26 0.64 1 131 THR 1.81 -0.65 1 134 VAL 2.10 -0.45 1 135 PHE -0.32 -0.36 1 137 GLU -1.08 0.91 1 139 LEU 0.04 -1.36 1 140 THR 4.52 -0.19 1 141 ILE 2.49 -0.10 1 143 GLU -7.44 4.53 1 144 VAL 2.02 -0.73 1 145 THR 0.86 -0.14 1 146 ASP -4.80 4.47 1 147 ILE -5.52 4.11 1 148 GLU -4.00 2.63 1 149 SER -2.31 1.54 1 150 ASP -2.38 0.81 1 151 SER 3.77 -1.11 1 152 TYR 0.46 -0.65 1 154 LEU -1.41 0.18 1 155 THR 4.65 -1.41 1 156 LYS -1.46 1.67 1 157 VAL -4.73 3.22 1 158 ALA -7.01 3.66 1 159 TYR -0.29 -0.13 1 160 VAL -4.07 2.42 1 161 LYS -3.06 2.40 1 163 ALA 0.83 0.05 1 164 ALA -2.41 1.25 1 165 ASP -0.50 -0.51 1 166 LEU 2.03 -1.41 1 167 THR 2.09 -0.34 1 168 ASP -1.15 0.13 1 169 LEU -3.87 2.27 1 170 ASN 0.92 1.10 1 171 ASN -0.06 0.40 1 172 VAL -6.01 2.15 1 173 ILE -1.71 0.78 1 174 VAL 0.49 -1.01 1 175 VAL 1.93 -1.52 1 176 ASN -1.66 1.23 1 177 ARG -0.14 0.47 1 178 ASP 0.35 1.48 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr16685_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -9.19 _LACS_plot.Line_1_terminator_val_y_1 1.03 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.10 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.34 _LACS_plot.Line_2_terminator_val_x_2 5.40 _LACS_plot.Line_2_terminator_val_y_2 -0.50 _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 73 SER 0.24 -1.24 0 10 ASP 0.43 -0.05 1 11 TYR -1.71 0.21 1 12 LYS -0.99 0.10 1 14 ILE -1.26 0.04 1 15 LEU 1.42 0.31 1 16 ALA -7.41 0.51 1 17 THR -3.10 0.74 1 18 VAL 2.46 -0.01 1 19 ILE -1.59 0.40 1 20 ALA -1.71 0.23 1 21 ARG -1.03 0.22 1 22 SER -0.42 0.15 1 24 ASP 1.71 -0.16 1 25 ASN 0.09 0.12 1 26 TRP 2.31 -0.41 1 27 ALA -0.23 -0.12 1 28 LYS -0.08 -0.06 1 29 GLN -5.10 1.38 1 30 VAL -4.68 0.71 1 31 THR -0.23 0.96 1 32 ILE -4.98 1.32 1 33 ASN 0.78 -0.07 1 34 LYS -6.72 0.24 1 36 THR 5.41 -0.09 1 37 GLN 4.34 -0.22 1 38 GLN 3.28 0.14 1 39 ASN 4.46 -0.60 1 40 VAL 3.62 -0.56 1 41 ALA -6.95 0.33 1 42 LYS 1.26 -0.71 1 43 ASP 4.97 -0.51 1 44 MET 1.33 -0.03 1 45 ALA -0.68 -0.07 1 46 VAL -3.51 1.11 1 47 THR -4.08 1.02 1 48 ASN -0.23 0.26 1 49 GLU 3.66 -0.34 1 50 LYS -0.40 0.10 1 52 ALA -2.19 0.36 1 53 LEU -0.50 -0.39 1 54 ILE -1.94 0.40 1 56 LYS -6.03 1.30 1 57 ILE 1.18 0.26 1 58 LYS -0.49 0.06 1 62 LEU 2.06 0.05 1 63 ASN -3.54 0.39 1 64 ASN 3.96 -0.01 1 65 PHE -2.32 0.42 1 66 THR -6.03 0.60 1 67 SER -2.35 0.60 1 68 ALA -4.84 1.02 1 69 VAL -2.79 0.24 1 70 GLN -0.86 0.34 1 71 LEU -2.17 0.55 1 72 LEU 0.79 -0.30 1 74 ASP -0.15 0.00 1 75 THR 1.19 0.07 1 76 ASP -3.17 0.09 1 77 ARG 2.94 -0.23 1 78 ASN 0.59 0.00 1 79 ASN -0.12 0.12 1 80 ARG -2.22 0.55 1 81 VAL -3.45 0.13 1 82 ALA 0.64 0.49 1 83 THR -4.94 1.05 1 84 LYS -4.28 0.76 1 85 ILE -2.29 0.53 1 86 SER -1.80 0.43 1 89 LYS -0.05 0.17 1 91 SER 0.86 0.04 1 92 LYS -1.85 0.11 1 94 TYR -4.75 0.92 1 96 LEU -4.51 0.65 1 97 ILE 1.24 0.38 1 98 GLU -2.71 0.21 1 100 TYR -3.28 0.27 1 101 ASP -3.18 0.12 1 102 LYS 3.04 -0.42 1 103 GLU 2.58 -0.22 1 104 LYS 0.10 -0.38 1 105 LYS 5.28 -0.66 1 106 ARG -8.94 0.57 1 107 LEU -1.50 0.56 1 108 LYS -0.78 -0.09 1 109 MET -7.46 0.92 1 110 THR -0.75 0.24 1 111 ILE 1.77 -0.05 1 112 ILE 0.22 0.14 1 113 GLU -4.57 0.25 1 114 ARG -2.88 0.52 1 115 LYS -0.70 0.02 1 116 ASP 1.65 -0.28 1 117 LYS 3.93 -0.38 1 118 GLN -2.40 0.16 1 119 ASP -4.06 0.21 1 120 VAL 0.98 -0.10 1 121 LYS -6.40 0.24 1 122 LYS 3.50 -0.78 1 124 ASP 2.32 0.06 1 125 LEU -1.50 0.28 1 126 ILE -0.89 0.73 1 127 GLU -9.19 1.09 1 128 THR 2.02 0.08 1 129 SER -1.26 0.21 1 131 THR 1.81 -0.13 1 134 VAL 2.10 -0.09 1 135 PHE -0.32 0.06 1 137 GLU -1.08 -0.61 1 139 LEU 0.04 0.45 1 140 THR 4.52 -0.49 1 141 ILE 2.49 0.08 1 143 GLU -7.44 1.12 1 144 VAL 2.02 0.16 1 145 THR 0.86 0.33 1 146 ASP -4.80 0.47 1 147 ILE -5.52 0.94 1 148 GLU -4.00 0.43 1 149 SER -2.31 0.78 1 150 ASP -2.38 0.13 1 151 SER 3.77 -0.35 1 152 TYR 0.46 0.01 1 154 LEU -1.41 0.36 1 155 THR 4.65 -0.42 1 156 LYS -1.46 0.28 1 157 VAL -4.73 0.33 1 158 ALA -7.01 0.71 1 159 TYR -0.29 0.73 1 160 VAL -4.07 0.50 1 161 LYS -3.06 0.29 1 163 ALA 0.83 -0.10 1 164 ALA -2.41 -0.25 1 165 ASP -0.50 0.01 1 166 LEU 2.03 -0.24 1 167 THR 2.09 -0.06 1 168 ASP -1.15 0.19 1 169 LEU -3.87 0.24 1 170 ASN 0.92 0.09 1 171 ASN -0.06 0.61 1 172 VAL -6.01 0.78 1 173 ILE -1.71 0.48 1 174 VAL 0.49 0.35 1 175 VAL 1.93 -0.26 1 176 ASN -1.66 0.19 1 177 ARG -0.14 0.00 1 178 ASP 0.35 -0.22 1 stop_ save_