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 bmr18298_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.81 _LACS_plot.Line_1_terminator_val_y_1 -3.38 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.23 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.11 _LACS_plot.Line_2_terminator_val_x_2 9.99 _LACS_plot.Line_2_terminator_val_y_2 7.74 _LACS_plot.Y_axis_chem_shift_offset -0.33 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 99 ARG 10.00 8.38 0 66 MET 0.67 -2.46 0 10 VAL -0.78 -0.78 1 11 LEU -3.90 -2.06 1 12 THR -3.00 -2.06 1 13 MET -0.33 0.25 1 14 SER 2.71 1.75 1 16 TYR 1.47 0.70 1 17 GLU 7.21 5.94 1 18 GLU 5.71 4.22 1 19 LYS 3.42 2.19 1 20 VAL 7.40 5.88 1 21 LYS 4.14 4.63 1 22 GLU 2.40 2.50 1 23 ASN 2.90 3.05 1 24 ILE 6.63 5.96 1 25 GLU 4.45 3.91 1 26 LYS 3.43 2.90 1 27 LYS 3.47 3.32 1 28 VAL 5.82 4.86 1 29 GLU 2.60 2.55 1 30 ALA 1.88 2.07 1 31 THR -0.72 0.98 1 33 ILE 1.80 0.12 1 34 LYS 1.03 1.10 1 35 ASN 2.00 1.09 1 36 LEU -0.17 1.31 1 37 VAL -2.26 -0.80 1 39 ARG -0.18 1.32 1 40 ILE -2.84 -0.35 1 41 VAL -4.84 -1.07 1 42 ILE -1.96 -0.36 1 44 ILE -3.92 -1.36 1 45 ARG -0.44 0.36 1 52 SER -0.23 0.04 1 53 GLU -2.57 -0.79 1 54 LYS 1.57 0.51 1 55 LEU 0.80 2.13 1 56 PHE -2.07 -1.65 1 59 TYR -3.75 -3.36 1 60 VAL -1.49 0.18 1 61 PHE 0.74 0.54 1 62 VAL -3.45 -0.90 1 63 GLU -2.48 -2.63 1 64 MET -3.48 0.27 1 65 ILE -0.16 -0.44 1 67 ASN -1.77 -1.92 1 68 ASP 4.40 3.97 1 69 GLU 3.93 3.24 1 70 ALA 1.85 2.96 1 71 TYR 3.95 3.86 1 72 ASN 3.61 3.27 1 73 PHE 3.75 3.62 1 74 VAL 4.86 4.31 1 75 ARG 3.61 1.78 1 76 SER 0.20 0.26 1 77 VAL 1.86 1.36 1 79 TYR 5.68 2.45 1 80 VAL 3.94 2.52 1 81 MET -0.76 0.05 1 83 PHE -4.91 -1.46 1 84 VAL 5.88 4.18 1 85 SER -3.74 0.45 1 86 SER -1.02 -0.54 1 89 GLN -3.19 -1.34 1 91 VAL 1.15 2.29 1 93 VAL 0.86 0.36 1 94 LYS 0.74 0.90 1 96 ARG 3.63 2.85 1 97 GLU 2.06 2.20 1 98 MET 0.24 -2.22 1 101 ILE 5.35 1.54 1 102 LEU 3.85 2.80 1 103 ARG 4.52 4.08 1 104 LEU 2.96 3.03 1 105 ALA -1.20 -0.29 1 107 LEU -0.55 0.21 1 108 GLU -4.82 -0.96 1 110 TYR -2.44 -1.82 1 111 GLU -3.63 -1.76 1 112 GLU -0.47 0.55 1 113 LYS -0.92 -0.73 1 114 LYS -0.05 0.50 1 115 LYS -1.06 -0.32 1 117 VAL -5.84 -4.12 1 118 LYS -1.23 -0.79 1 119 VAL -0.54 -0.03 1 120 GLU -0.72 -0.47 1 121 LEU 0.32 0.31 1 123 PHE -3.03 -0.50 1 124 LYS -4.61 -1.82 1 125 VAL 5.11 3.60 1 127 ASP 0.64 1.30 1 128 MET -1.58 -0.86 1 129 VAL -6.92 -3.90 1 130 LYS -3.48 -1.63 1 131 ILE 2.92 1.49 1 132 ILE -0.66 -0.43 1 133 SER -2.68 -1.72 1 136 PHE 2.05 0.49 1 137 GLU 2.04 2.25 1 138 ASP 4.92 4.08 1 139 PHE 1.30 1.53 1 140 ALA -4.94 -2.12 1 142 VAL -4.54 -2.30 1 143 ILE 3.54 2.75 1 144 LYS -1.33 -0.73 1 145 GLU -5.86 -1.23 1 146 ILE -2.84 0.03 1 147 ASP -3.31 -2.05 1 149 GLU 2.65 2.50 1 150 ARG 0.13 0.19 1 151 GLN 4.73 1.34 1 152 GLU -7.81 -2.65 1 153 LEU -5.48 -2.22 1 154 LYS -1.61 -0.70 1 155 VAL -4.06 -2.33 1 156 ASN -1.39 -1.26 1 157 VAL -3.40 -1.99 1 158 THR 1.82 0.81 1 159 ILE -2.13 -0.49 1 160 PHE 2.39 -0.05 1 162 ARG -3.89 -1.56 1 163 GLU -0.14 0.46 1 164 THR -2.53 0.14 1 166 VAL -2.72 -0.98 1 167 VAL 0.87 -0.04 1 168 LEU -5.13 -1.78 1 169 HIS -1.13 2.68 1 170 VAL 4.32 3.05 1 171 SER 1.56 1.94 1 172 GLU -1.02 0.58 1 173 VAL -7.11 -3.76 1 174 GLU -6.32 -1.79 1 175 LYS 1.36 1.82 1 176 ILE 0.45 0.68 1 177 GLU -0.53 1.34 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18298_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.81 _LACS_plot.Line_1_terminator_val_y_1 4.43 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.77 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.89 _LACS_plot.Line_2_terminator_val_x_2 9.99 _LACS_plot.Line_2_terminator_val_y_2 -2.25 _LACS_plot.Y_axis_chem_shift_offset -0.33 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 99 ARG 10.00 -1.62 0 66 MET 0.67 -3.13 0 10 VAL -0.78 0.00 1 11 LEU -3.90 1.84 1 12 THR -3.00 0.94 1 13 MET -0.33 0.58 1 14 SER 2.71 -0.96 1 16 TYR 1.47 -0.77 1 17 GLU 7.21 -1.27 1 18 GLU 5.71 -1.49 1 19 LYS 3.42 -1.23 1 20 VAL 7.40 -1.52 1 21 LYS 4.14 0.49 1 22 GLU 2.40 0.10 1 23 ASN 2.90 0.15 1 24 ILE 6.63 -0.67 1 25 GLU 4.45 -0.54 1 26 LYS 3.43 -0.53 1 27 LYS 3.47 -0.15 1 28 VAL 5.82 -0.96 1 29 GLU 2.60 -0.05 1 30 ALA 1.88 0.19 1 31 THR -0.72 1.70 1 33 ILE 1.80 -1.68 1 34 LYS 1.03 0.07 1 35 ASN 2.00 -0.91 1 36 LEU -0.17 1.48 1 37 VAL -2.26 1.46 1 39 ARG -0.18 1.50 1 40 ILE -2.84 2.49 1 41 VAL -4.84 3.77 1 42 ILE -1.96 1.60 1 44 ILE -3.92 2.56 1 45 ARG -0.44 0.80 1 52 SER -0.23 0.27 1 53 GLU -2.57 1.78 1 54 LYS 1.57 -1.06 1 55 LEU 0.80 1.33 1 56 PHE -2.07 0.42 1 59 TYR -3.75 0.39 1 60 VAL -1.49 1.67 1 61 PHE 0.74 -0.20 1 62 VAL -3.45 2.55 1 63 GLU -2.48 -0.15 1 64 MET -3.48 3.75 1 65 ILE -0.16 -0.28 1 67 ASN -1.77 -0.15 1 68 ASP 4.40 -0.43 1 69 GLU 3.93 -0.69 1 70 ALA 1.85 1.11 1 71 TYR 3.95 -0.09 1 72 ASN 3.61 -0.34 1 73 PHE 3.75 -0.13 1 74 VAL 4.86 -0.55 1 75 ARG 3.61 -1.83 1 76 SER 0.20 0.06 1 77 VAL 1.86 -0.50 1 79 TYR 5.68 -3.23 1 80 VAL 3.94 -1.42 1 81 MET -0.76 0.81 1 83 PHE -4.91 3.45 1 84 VAL 5.88 -1.70 1 85 SER -3.74 4.19 1 86 SER -1.02 0.48 1 89 GLN -3.19 1.85 1 91 VAL 1.15 1.14 1 93 VAL 0.86 -0.50 1 94 LYS 0.74 0.16 1 96 ARG 3.63 -0.78 1 97 GLU 2.06 0.14 1 98 MET 0.24 -2.46 1 101 ILE 5.35 -3.81 1 102 LEU 3.85 -1.05 1 103 ARG 4.52 -0.44 1 104 LEU 2.96 0.07 1 105 ALA -1.20 0.91 1 107 LEU -0.55 0.76 1 108 GLU -4.82 3.86 1 110 TYR -2.44 0.62 1 111 GLU -3.63 1.87 1 112 GLU -0.47 1.02 1 113 LYS -0.92 0.19 1 114 LYS -0.05 0.55 1 115 LYS -1.06 0.74 1 117 VAL -5.84 1.72 1 118 LYS -1.23 0.44 1 119 VAL -0.54 0.51 1 120 GLU -0.72 0.25 1 121 LEU 0.32 -0.01 1 123 PHE -3.03 2.53 1 124 LYS -4.61 2.79 1 125 VAL 5.11 -1.51 1 127 ASP 0.64 0.66 1 128 MET -1.58 0.72 1 129 VAL -6.92 3.02 1 130 LYS -3.48 1.85 1 131 ILE 2.92 -1.43 1 132 ILE -0.66 0.23 1 133 SER -2.68 0.96 1 136 PHE 2.05 -1.56 1 137 GLU 2.04 0.21 1 138 ASP 4.92 -0.84 1 139 PHE 1.30 0.23 1 140 ALA -4.94 2.82 1 142 VAL -4.54 2.24 1 143 ILE 3.54 -0.79 1 144 LYS -1.33 0.60 1 145 GLU -5.86 4.63 1 146 ILE -2.84 2.87 1 147 ASP -3.31 1.26 1 149 GLU 2.65 -0.15 1 150 ARG 0.13 0.06 1 151 GLN 4.73 -3.39 1 152 GLU -7.81 5.16 1 153 LEU -5.48 3.26 1 154 LYS -1.61 0.91 1 155 VAL -4.06 1.73 1 156 ASN -1.39 0.13 1 157 VAL -3.40 1.41 1 158 THR 1.82 -1.01 1 159 ILE -2.13 1.64 1 160 PHE 2.39 -2.44 1 162 ARG -3.89 2.33 1 163 GLU -0.14 0.60 1 164 THR -2.53 2.67 1 166 VAL -2.72 1.74 1 167 VAL 0.87 -0.91 1 168 LEU -5.13 3.35 1 169 HIS -1.13 3.81 1 170 VAL 4.32 -1.27 1 171 SER 1.56 0.38 1 172 GLU -1.02 1.60 1 173 VAL -7.11 3.35 1 174 GLU -6.32 4.53 1 175 LYS 1.36 0.46 1 176 ILE 0.45 0.23 1 177 GLU -0.53 1.87 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18298_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.81 _LACS_plot.Line_1_terminator_val_y_1 0.87 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.18 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.24 _LACS_plot.Line_2_terminator_val_x_2 9.99 _LACS_plot.Line_2_terminator_val_y_2 -0.97 _LACS_plot.Y_axis_chem_shift_offset -0.03 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 138 ASP 4.92 -1.68 0 10 VAL -0.78 -0.32 1 11 LEU -3.90 0.74 1 12 THR -3.00 0.40 1 13 MET -0.33 -0.10 1 14 SER 2.71 -0.23 1 16 TYR 1.47 -0.10 1 17 GLU 7.21 -0.75 1 18 GLU 5.71 -0.54 1 19 LYS 3.42 -0.15 1 20 VAL 7.40 -0.44 1 21 LYS 4.14 -0.46 1 22 GLU 2.40 -0.15 1 23 ASN 2.90 -0.21 1 24 ILE 6.63 -0.51 1 25 GLU 4.45 -0.46 1 26 LYS 3.43 -0.12 1 27 LYS 3.47 -0.06 1 28 VAL 5.82 -0.46 1 29 GLU 2.60 -0.30 1 30 ALA 1.88 -0.06 1 31 THR -0.72 0.05 1 33 ILE 1.80 0.06 1 34 LYS 1.03 -0.05 1 35 ASN 2.00 -0.20 1 36 LEU -0.17 0.03 1 37 VAL -2.26 0.19 1 39 ARG -0.18 -0.12 1 40 ILE -2.84 1.14 1 41 VAL -4.84 0.52 1 42 ILE -1.96 0.37 1 44 ILE -3.92 0.58 1 45 ARG -0.44 0.04 1 52 SER -0.23 0.04 1 53 GLU -2.57 0.08 1 54 LYS 1.57 0.07 1 55 LEU 0.80 -0.49 1 56 PHE -2.07 -0.13 1 59 TYR -3.75 0.67 1 60 VAL -1.49 0.06 1 61 PHE 0.74 0.47 1 62 VAL -3.45 0.83 1 63 GLU -2.48 0.04 1 64 MET -3.48 0.72 1 65 ILE -0.16 0.03 1 66 MET 0.67 0.32 1 67 ASN -1.77 -0.15 1 68 ASP 4.40 -0.32 1 69 GLU 3.93 -0.30 1 70 ALA 1.85 -0.36 1 71 TYR 3.95 -0.69 1 72 ASN 3.61 -0.50 1 73 PHE 3.75 -0.52 1 74 VAL 4.86 -0.59 1 75 ARG 3.61 -0.56 1 76 SER 0.20 -0.18 1 77 VAL 1.86 -0.46 1 79 TYR 5.68 -0.74 1 80 VAL 3.94 -0.32 1 81 MET -0.76 0.07 1 83 PHE -4.91 0.91 1 84 VAL 5.88 -0.13 1 85 SER -3.74 0.82 1 86 SER -1.02 0.82 1 89 GLN -3.19 0.21 1 91 VAL 1.15 -0.24 1 93 VAL 0.86 -0.19 1 96 ARG 3.63 -0.25 1 97 GLU 2.06 -0.19 1 98 MET 0.24 0.17 1 99 ARG 10.00 -0.72 1 101 ILE 5.35 -0.92 1 102 LEU 3.85 -0.62 1 103 ARG 4.52 0.08 1 104 LEU 2.96 -0.24 1 105 ALA -1.20 0.16 1 107 LEU -0.55 0.08 1 108 GLU -4.82 0.02 1 110 TYR -2.44 0.28 1 111 GLU -3.63 0.08 1 112 GLU -0.47 -0.02 1 113 LYS -0.92 0.22 1 114 LYS -0.05 -0.03 1 115 LYS -1.06 0.09 1 117 VAL -5.84 0.77 1 118 LYS -1.23 0.18 1 119 VAL -0.54 0.03 1 120 GLU -0.72 -0.07 1 121 LEU 0.32 -0.12 1 123 PHE -3.03 0.08 1 124 LYS -4.61 0.27 1 125 VAL 5.11 -0.86 1 127 ASP 0.64 0.00 1 128 MET -1.58 0.71 1 129 VAL -6.92 0.99 1 130 LYS -3.48 0.42 1 131 ILE 2.92 0.16 1 132 ILE -0.66 0.60 1 133 SER -2.68 0.44 1 136 PHE 2.05 -0.62 1 137 GLU 2.04 -0.99 1 139 PHE 1.30 -0.12 1 140 ALA -4.94 1.13 1 142 VAL -4.54 0.83 1 143 ILE 3.54 -0.34 1 144 LYS -1.33 0.23 1 145 GLU -5.86 0.16 1 146 ILE -2.84 0.22 1 147 ASP -3.31 0.35 1 149 GLU 2.65 -0.15 1 150 ARG 0.13 -0.05 1 151 GLN 4.73 -0.75 1 152 GLU -7.81 0.69 1 153 LEU -5.48 0.49 1 154 LYS -1.61 0.62 1 155 VAL -4.06 0.43 1 156 ASN -1.39 0.42 1 157 VAL -3.40 0.43 1 158 THR 1.82 0.56 1 159 ILE -2.13 0.23 1 160 PHE 2.39 -0.11 1 162 ARG -3.89 0.46 1 163 GLU -0.14 0.28 1 164 THR -2.53 0.15 1 166 VAL -2.72 -0.14 1 167 VAL 0.87 0.68 1 168 LEU -5.13 0.48 1 169 HIS -1.13 0.23 1 170 VAL 4.32 -0.48 1 171 SER 1.56 -0.01 1 172 GLU -1.02 -0.05 1 173 VAL -7.11 1.39 1 174 GLU -6.32 0.46 1 175 LYS 1.36 0.14 1 176 ILE 0.45 0.05 1 177 GLU -0.53 -0.16 1 stop_ save_