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 bmr30656_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.56 _LACS_plot.Line_1_terminator_val_y_1 -2.99 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.15 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.42 _LACS_plot.Line_2_terminator_val_x_2 5.71 _LACS_plot.Line_2_terminator_val_y_2 4.90 _LACS_plot.Y_axis_chem_shift_offset -0.20 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 35 LYS 3.10 0.61 0 36 ASN -0.00 2.92 0 168 GLU -6.56 -2.61 0 137 PHE -3.91 -4.18 0 136 ASN -0.63 2.52 0 11 VAL -5.89 -3.94 1 12 GLN -1.49 -1.07 1 13 ARG 3.88 2.24 1 14 HIS -0.15 -0.55 1 15 ALA -0.13 0.41 1 16 SER -0.40 0.13 1 18 GLU 3.86 3.30 1 19 ASP 3.29 3.38 1 20 ILE 4.91 3.99 1 21 LYS 4.68 4.75 1 22 LYS 3.89 3.71 1 23 ALA 2.05 2.54 1 24 TYR 4.41 4.41 1 25 ARG 4.37 3.77 1 26 LYS 3.11 2.90 1 27 LEU 1.46 2.45 1 28 ALA 4.48 2.88 1 29 LEU 3.04 2.15 1 30 LYS 2.62 2.71 1 31 TRP -1.06 -0.98 1 32 HIS 1.52 3.38 1 34 ASP 5.71 3.90 1 38 GLU 0.62 0.19 1 39 ASN -1.08 -0.96 1 40 LYS 4.49 4.66 1 41 GLU 4.43 3.57 1 42 GLU 2.61 2.18 1 43 ALA 4.24 3.24 1 44 GLU 3.95 3.69 1 45 ARG 4.13 3.58 1 46 LYS 3.98 2.15 1 47 PHE 4.02 4.41 1 48 LYS 3.62 3.32 1 49 GLN 3.75 3.62 1 50 VAL 4.47 3.74 1 51 ALA 4.15 3.18 1 52 GLU 2.74 2.58 1 53 ALA 1.36 1.56 1 54 TYR 2.69 3.80 1 55 GLU 4.46 5.23 1 56 VAL 4.77 3.57 1 57 LEU 2.35 1.36 1 58 SER 0.54 0.85 1 59 ASP -4.62 -1.90 1 60 ALA 3.52 3.26 1 61 LYS 3.84 2.86 1 62 LYS 4.23 4.03 1 63 ARG 5.34 4.35 1 64 ASP 2.70 3.55 1 65 ILE 3.99 3.52 1 66 TYR 3.36 4.06 1 67 ASP 3.20 2.69 1 68 LYS 2.43 2.46 1 69 TYR 0.79 1.29 1 71 LYS 0.88 0.75 1 72 GLU 0.20 0.45 1 74 LEU 0.13 -0.01 1 75 ASN -0.72 1.97 1 82 SER -0.36 0.05 1 83 HIS -0.06 0.71 1 84 PHE -0.29 -0.18 1 85 ASP -0.38 0.28 1 86 SER -1.38 -0.36 1 88 PHE 0.11 0.18 1 89 GLU -0.61 -0.23 1 90 PHE 0.77 0.57 1 92 PHE -1.72 -1.50 1 93 THR -2.03 -1.05 1 94 PHE -0.95 0.61 1 95 ARG -2.36 -0.38 1 96 ASN 0.47 0.87 1 98 ASP 3.41 3.51 1 99 ASP 3.53 3.26 1 100 VAL 5.04 4.46 1 101 PHE 3.02 4.07 1 102 ARG 3.97 3.46 1 103 GLU 2.31 2.41 1 104 PHE 4.00 4.23 1 105 PHE 2.81 2.16 1 108 ARG -1.57 -0.69 1 109 ASP -1.96 -0.90 1 111 PHE 2.20 0.59 1 112 SER -0.28 0.40 1 113 PHE 0.15 0.35 1 114 ASP -0.38 0.00 1 115 PHE 0.43 0.61 1 116 PHE -0.36 -0.05 1 117 GLU -1.33 -0.45 1 118 ASP -1.32 -0.09 1 120 PHE -1.40 -0.81 1 121 GLU -4.71 -2.79 1 122 ASP -3.48 -1.66 1 126 ASN -0.00 0.38 1 127 ARG 0.77 0.41 1 128 ARG -0.01 0.03 1 131 ARG 0.65 0.32 1 134 MET 0.07 0.20 1 142 THR -2.42 -0.79 1 143 SER -3.05 -1.05 1 144 THR -2.20 -0.07 1 145 LYS -4.43 -1.39 1 146 MET -0.95 -2.15 1 147 VAL -1.78 -0.57 1 148 ASN 2.10 1.17 1 150 ARG -2.51 -1.34 1 151 LYS 0.12 0.25 1 152 ILE -0.83 -1.50 1 153 THR -1.67 -0.32 1 154 THR -0.27 0.28 1 155 LYS -3.72 -1.36 1 156 ARG -2.21 -1.05 1 160 ASN 2.44 1.52 1 162 GLN -3.36 -1.38 1 163 GLU -3.99 -1.37 1 165 VAL -1.50 -1.05 1 166 GLU -5.07 -2.19 1 167 VAL -1.88 -0.70 1 169 GLU -5.26 -2.22 1 170 ASP 2.35 1.85 1 172 GLN -3.36 -1.93 1 173 LEU 2.49 1.69 1 174 LYS -2.49 -0.93 1 175 SER -2.03 -1.18 1 176 LEU -3.99 -0.76 1 177 THR -4.08 -2.30 1 178 ILE -1.85 -0.80 1 179 ASN 2.29 1.08 1 181 LYS -1.35 -1.43 1 182 GLU 0.28 0.78 1 183 GLN -3.03 -1.34 1 184 LEU 1.52 0.50 1 185 LEU -0.09 -0.13 1 186 ARG -0.24 -0.34 1 187 LEU 0.09 0.00 1 188 ASP -0.49 -0.10 1 189 ASN -0.07 0.34 1 190 LYS 1.04 1.56 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr30656_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.56 _LACS_plot.Line_1_terminator_val_y_1 3.57 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.85 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.58 _LACS_plot.Line_2_terminator_val_x_2 5.71 _LACS_plot.Line_2_terminator_val_y_2 -0.81 _LACS_plot.Y_axis_chem_shift_offset -0.20 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 35 LYS 3.10 -2.49 0 36 ASN -0.00 2.92 0 168 GLU -6.56 3.95 0 137 PHE -3.91 -0.27 0 136 ASN -0.63 3.15 0 11 VAL -5.89 1.95 1 12 GLN -1.49 0.42 1 13 ARG 3.88 -1.64 1 14 HIS -0.15 -0.40 1 15 ALA -0.13 0.54 1 16 SER -0.40 0.53 1 18 GLU 3.86 -0.56 1 19 ASP 3.29 0.09 1 20 ILE 4.91 -0.92 1 21 LYS 4.68 0.07 1 22 LYS 3.89 -0.18 1 23 ALA 2.05 0.49 1 24 TYR 4.41 0.00 1 25 ARG 4.37 -0.60 1 26 LYS 3.11 -0.21 1 27 LEU 1.46 0.99 1 28 ALA 4.48 -1.60 1 29 LEU 3.04 -0.89 1 30 LYS 2.62 0.09 1 31 TRP -1.06 0.08 1 32 HIS 1.52 1.86 1 34 ASP 5.71 -1.81 1 38 GLU 0.62 -0.43 1 39 ASN -1.08 0.12 1 40 LYS 4.49 0.17 1 41 GLU 4.43 -0.86 1 42 GLU 2.61 -0.43 1 43 ALA 4.24 -1.00 1 44 GLU 3.95 -0.26 1 45 ARG 4.13 -0.55 1 46 LYS 3.98 -1.83 1 47 PHE 4.02 0.39 1 48 LYS 3.62 -0.30 1 49 GLN 3.75 -0.13 1 50 VAL 4.47 -0.73 1 51 ALA 4.15 -0.97 1 52 GLU 2.74 -0.16 1 53 ALA 1.36 0.20 1 54 TYR 2.69 1.11 1 55 GLU 4.46 0.77 1 56 VAL 4.77 -1.20 1 57 LEU 2.35 -0.99 1 58 SER 0.54 0.31 1 59 ASP -4.62 2.72 1 60 ALA 3.52 -0.26 1 61 LYS 3.84 -0.98 1 62 LYS 4.23 -0.20 1 63 ARG 5.34 -0.99 1 64 ASP 2.70 0.85 1 65 ILE 3.99 -0.47 1 66 TYR 3.36 0.70 1 67 ASP 3.20 -0.51 1 68 LYS 2.43 0.03 1 69 TYR 0.79 0.50 1 71 LYS 0.88 -0.13 1 72 GLU 0.20 0.25 1 74 LEU 0.13 -0.14 1 75 ASN -0.72 2.69 1 82 SER -0.36 0.41 1 83 HIS -0.06 0.77 1 84 PHE -0.29 0.11 1 85 ASP -0.38 0.66 1 86 SER -1.38 1.02 1 88 PHE 0.11 0.07 1 89 GLU -0.61 0.38 1 90 PHE 0.77 -0.20 1 92 PHE -1.72 0.22 1 93 THR -2.03 0.98 1 94 PHE -0.95 1.56 1 95 ARG -2.36 1.98 1 96 ASN 0.47 0.40 1 98 ASP 3.41 0.10 1 99 ASP 3.53 -0.27 1 100 VAL 5.04 -0.58 1 101 PHE 3.02 1.05 1 102 ARG 3.97 -0.51 1 103 GLU 2.31 0.10 1 104 PHE 4.00 0.23 1 105 PHE 2.81 -0.65 1 108 ARG -1.57 0.88 1 109 ASP -1.96 1.06 1 111 PHE 2.20 -1.61 1 112 SER -0.28 0.68 1 113 PHE 0.15 0.20 1 114 ASP -0.38 0.38 1 115 PHE 0.43 0.18 1 116 PHE -0.36 0.31 1 117 GLU -1.33 0.88 1 118 ASP -1.32 1.23 1 120 PHE -1.40 0.59 1 121 GLU -4.71 1.92 1 122 ASP -3.48 1.82 1 126 ASN -0.00 0.38 1 127 ARG 0.77 -0.36 1 128 ARG -0.01 0.04 1 131 ARG 0.65 -0.33 1 134 MET 0.07 0.13 1 142 THR -2.42 1.63 1 143 SER -3.05 2.00 1 144 THR -2.20 2.13 1 145 LYS -4.43 3.04 1 146 MET -0.95 -1.20 1 147 VAL -1.78 1.21 1 148 ASN 2.10 -0.93 1 150 ARG -2.51 1.17 1 151 LYS 0.12 0.13 1 152 ILE -0.83 -0.67 1 153 THR -1.67 1.35 1 154 THR -0.27 0.55 1 155 LYS -3.72 2.36 1 156 ARG -2.21 1.16 1 160 ASN 2.44 -0.92 1 162 GLN -3.36 1.98 1 163 GLU -3.99 2.62 1 165 VAL -1.50 0.45 1 166 GLU -5.07 2.88 1 167 VAL -1.88 1.18 1 169 GLU -5.26 3.04 1 170 ASP 2.35 -0.50 1 172 GLN -3.36 1.43 1 173 LEU 2.49 -0.80 1 174 LYS -2.49 1.56 1 175 SER -2.03 0.85 1 176 LEU -3.99 3.23 1 177 THR -4.08 1.78 1 178 ILE -1.85 1.05 1 179 ASN 2.29 -1.21 1 181 LYS -1.35 -0.08 1 182 GLU 0.28 0.50 1 183 GLN -3.03 1.69 1 184 LEU 1.52 -1.02 1 185 LEU -0.09 -0.04 1 186 ARG -0.24 -0.10 1 187 LEU 0.09 -0.09 1 188 ASP -0.49 0.39 1 189 ASN -0.07 0.41 1 190 LYS 1.04 0.52 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr30656_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.56 _LACS_plot.Line_1_terminator_val_y_1 -2.32 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.69 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.73 _LACS_plot.Line_2_terminator_val_x_2 5.34 _LACS_plot.Line_2_terminator_val_y_2 1.87 _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 11 VAL -5.89 -1.45 0 31 TRP -1.06 -3.06 0 169 GLU -5.26 -0.37 0 120 PHE -1.40 2.22 0 56 VAL 4.77 -0.77 0 168 GLU -6.56 -1.96 0 45 ARG 4.13 -1.24 0 12 GLN -1.49 0.84 1 13 ARG 3.88 0.49 1 14 HIS -0.15 0.65 1 15 ALA -0.13 -0.02 1 18 GLU 3.86 2.03 1 19 ASP 3.29 3.56 1 20 ILE 4.91 0.59 1 21 LYS 4.68 2.81 1 22 LYS 3.89 2.43 1 23 ALA 2.05 -0.48 1 24 TYR 4.41 -0.64 1 25 ARG 4.37 0.65 1 26 LYS 3.11 3.27 1 27 LEU 1.46 0.80 1 28 ALA 4.48 1.50 1 29 LEU 3.04 1.68 1 30 LYS 2.62 2.12 1 35 LYS 3.10 -0.70 1 38 GLU 0.62 -0.52 1 39 ASN -1.08 0.01 1 40 LYS 4.49 1.65 1 41 GLU 4.43 2.96 1 42 GLU 2.61 -1.48 1 43 ALA 4.24 0.70 1 44 GLU 3.95 3.05 1 46 LYS 3.98 1.74 1 48 LYS 3.62 1.57 1 49 GLN 3.75 2.64 1 50 VAL 4.47 0.75 1 51 ALA 4.15 1.11 1 52 GLU 2.74 0.99 1 53 ALA 1.36 1.05 1 54 TYR 2.69 2.28 1 55 GLU 4.46 1.20 1 57 LEU 2.35 0.00 1 58 SER 0.54 -1.13 1 59 ASP -4.62 -1.56 1 60 ALA 3.52 2.11 1 61 LYS 3.84 3.16 1 62 LYS 4.23 1.52 1 63 ARG 5.34 0.74 1 64 ASP 2.70 2.34 1 65 ILE 3.99 1.72 1 66 TYR 3.36 2.61 1 68 LYS 2.43 1.51 1 69 TYR 0.79 1.29 1 71 LYS 0.88 -2.32 1 74 LEU 0.13 -1.44 1 84 PHE -0.29 -0.58 1 85 ASP -0.38 -0.78 1 88 PHE 0.11 -0.19 1 89 GLU -0.61 -0.87 1 90 PHE 0.77 0.35 1 92 PHE -1.72 -0.80 1 93 THR -2.03 -1.26 1 94 PHE -0.95 0.98 1 95 ARG -2.36 0.35 1 98 ASP 3.41 2.43 1 99 ASP 3.53 2.48 1 100 VAL 5.04 1.49 1 101 PHE 3.02 1.41 1 102 ARG 3.97 3.55 1 103 GLU 2.31 2.38 1 104 PHE 4.00 1.66 1 105 PHE 2.81 0.86 1 108 ARG -1.57 -1.24 1 111 PHE 2.20 0.56 1 113 PHE 0.15 0.54 1 114 ASP -0.38 -0.61 1 115 PHE 0.43 -0.69 1 116 PHE -0.36 -0.82 1 117 GLU -1.33 -1.35 1 121 GLU -4.71 -0.97 1 126 ASN -0.00 0.25 1 127 ARG 0.77 -0.08 1 128 ARG -0.01 0.13 1 131 ARG 0.65 0.73 1 134 MET 0.07 0.51 1 136 ASN -0.63 2.16 1 142 THR -2.42 -1.21 1 143 SER -3.05 -1.58 1 144 THR -2.20 -1.57 1 145 LYS -4.43 -2.93 1 146 MET -0.95 0.36 1 147 VAL -1.78 -0.11 1 148 ASN 2.10 -0.07 1 150 ARG -2.51 -1.87 1 151 LYS 0.12 -0.73 1 152 ILE -0.83 0.53 1 153 THR -1.67 -1.32 1 154 THR -0.27 -1.03 1 155 LYS -3.72 -2.63 1 160 ASN 2.44 0.19 1 162 GLN -3.36 -1.70 1 165 VAL -1.50 -0.49 1 166 GLU -5.07 -1.26 1 167 VAL -1.88 -1.22 1 170 ASP 2.35 -0.16 1 172 GLN -3.36 -0.70 1 173 LEU 2.49 -1.54 1 174 LYS -2.49 -0.23 1 176 LEU -3.99 -3.06 1 177 THR -4.08 -0.61 1 178 ILE -1.85 0.40 1 179 ASN 2.29 0.23 1 181 LYS -1.35 0.27 1 182 GLU 0.28 -0.40 1 183 GLN -3.03 0.42 1 184 LEU 1.52 -0.85 1 185 LEU -0.09 -0.74 1 186 ARG -0.24 -0.33 1 187 LEU 0.09 -0.63 1 188 ASP -0.49 -0.61 1 189 ASN -0.07 -1.05 1 stop_ save_