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 bmr27950_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.59 _LACS_plot.Line_1_terminator_val_y_1 -5.11 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.43 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -2.06 _LACS_plot.Line_2_terminator_val_x_2 9.89 _LACS_plot.Line_2_terminator_val_y_2 6.32 _LACS_plot.Y_axis_chem_shift_offset 0.69 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 31 ASN -4.77 0.36 0 10 GLN 4.78 2.52 1 11 ASP 3.79 2.85 1 12 LEU 5.09 1.83 1 13 ASN 4.21 3.42 1 14 ASP 4.86 2.69 1 15 LEU 3.05 1.86 1 16 LEU 2.07 1.00 1 17 SER 0.54 0.15 1 18 ASP 0.74 -0.18 1 20 SER 0.98 0.47 1 23 TYR 0.29 -1.01 1 24 SER 0.00 -0.40 1 25 LEU -3.15 -3.28 1 27 SER 1.40 0.38 1 28 GLN -3.08 -2.95 1 32 GLU 0.43 -1.28 1 33 VAL 2.14 -0.16 1 34 THR -1.14 -1.72 1 36 ARG 4.31 3.39 1 37 ILE 1.42 -0.06 1 38 TYR -4.13 -2.80 1 39 VAL -3.70 -2.79 1 41 ASN -3.80 -3.09 1 42 ALA 1.14 1.62 1 43 SER 4.35 2.52 1 44 VAL 4.40 1.80 1 45 ALA 4.49 1.21 1 46 GLN -0.92 -0.86 1 47 ASP -1.93 -3.08 1 48 ILE 5.09 2.42 1 50 LYS 5.12 2.47 1 51 LEU 5.04 2.59 1 52 GLN 4.37 2.30 1 53 LYS 0.37 -0.04 1 54 LEU 2.76 -1.37 1 56 ILE 0.50 0.14 1 57 THR -3.97 0.48 1 58 HIS -3.21 -1.62 1 59 VAL -3.39 -2.82 1 60 LEU -1.58 -2.32 1 61 ASN -0.52 -2.02 1 62 ALA -3.85 -3.37 1 63 ALA 1.85 1.56 1 64 GLU -0.77 -1.10 1 66 ARG 0.91 -0.58 1 71 VAL 1.54 -1.13 1 72 ASN 2.06 1.35 1 73 THR -0.78 -1.90 1 74 ASN 4.56 2.75 1 75 ALA 4.22 2.38 1 76 ASN 3.64 2.66 1 77 PHE -0.12 0.40 1 78 TYR 4.13 2.06 1 80 ASP -0.29 0.73 1 81 SER -0.04 -0.23 1 83 ILE 2.30 1.09 1 84 THR -4.81 -0.77 1 85 TYR -0.23 -0.77 1 86 LEU -2.85 -1.99 1 88 ILE 1.55 -2.05 1 89 LYS -1.57 -3.62 1 92 ASP -3.60 -3.26 1 93 THR 3.41 1.27 1 94 GLN 0.46 -0.81 1 95 GLU 1.01 1.73 1 96 PHE 1.61 -1.84 1 97 ASN 0.81 0.29 1 98 LEU 1.76 0.31 1 99 SER 2.57 0.55 1 100 ALA -0.06 -0.20 1 101 TYR 3.20 -0.58 1 102 PHE 5.39 3.18 1 103 GLU 3.94 2.13 1 104 ARG 2.32 1.98 1 105 ALA 4.93 2.51 1 106 ALA 4.22 2.65 1 107 ASP 3.87 3.55 1 108 PHE 6.50 4.48 1 109 ILE 3.61 2.65 1 110 ASP 4.95 2.44 1 111 GLN 3.32 1.56 1 112 ALA 2.98 0.33 1 113 LEU 2.00 0.29 1 114 ALA -0.15 -1.54 1 115 GLN 4.56 2.23 1 116 LYS -3.93 -0.37 1 119 ARG -7.59 -5.80 1 120 VAL -3.28 -2.51 1 121 LEU 0.39 -2.15 1 122 VAL -5.19 -2.07 1 123 HIS -1.05 -1.56 1 128 TYR -0.32 -0.72 1 129 SER -2.20 -3.57 1 130 ARG 9.89 6.50 1 133 THR 3.74 1.80 1 134 LEU 6.74 4.23 1 135 VAL 6.81 4.38 1 136 ILE 6.02 1.81 1 137 ALA 5.86 4.02 1 138 TYR 4.14 2.09 1 139 LEU 1.50 2.00 1 140 MET 0.91 2.89 1 141 MET -0.14 -2.39 1 142 ARG 1.34 -1.38 1 143 GLN 6.26 0.53 1 144 LYS -2.22 -0.63 1 145 MET -1.74 -1.77 1 146 ASP 4.22 1.79 1 147 VAL 6.67 4.12 1 148 LYS 4.43 3.21 1 149 SER 1.06 1.88 1 150 ALA 4.36 3.41 1 151 LEU 4.37 3.97 1 152 SER 4.45 2.40 1 153 ILE 7.38 4.61 1 154 VAL 1.92 -0.77 1 155 ARG 3.50 1.76 1 156 GLN -3.16 0.16 1 157 ASN -0.25 0.51 1 158 ARG 3.91 0.87 1 159 GLU 1.61 0.01 1 163 ASN 4.92 3.33 1 164 ASP 3.52 -1.15 1 166 PHE 5.09 2.67 1 167 LEU 5.31 2.98 1 168 ALA 4.72 3.23 1 169 GLN 4.02 2.33 1 170 LEU 4.90 2.67 1 172 GLN 4.35 2.24 1 173 LEU 3.27 4.31 1 174 ASN 2.94 2.69 1 175 ASP 5.19 3.25 1 176 ARG 4.41 1.95 1 177 LEU 3.60 1.78 1 178 ALA 3.81 2.15 1 179 LYS 0.46 -0.14 1 180 GLU 0.53 -0.30 1 182 LYS -0.95 -1.66 1 183 LEU -1.04 -2.67 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27950_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.59 _LACS_plot.Line_1_terminator_val_y_1 2.48 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.57 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.06 _LACS_plot.Line_2_terminator_val_x_2 9.89 _LACS_plot.Line_2_terminator_val_y_2 -3.57 _LACS_plot.Y_axis_chem_shift_offset 0.69 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 31 ASN -4.77 5.13 0 10 GLN 4.78 -2.26 1 11 ASP 3.79 -0.94 1 12 LEU 5.09 -3.26 1 13 ASN 4.21 -0.79 1 14 ASP 4.86 -2.17 1 15 LEU 3.05 -1.19 1 16 LEU 2.07 -1.07 1 17 SER 0.54 -0.39 1 18 ASP 0.74 -0.92 1 20 SER 0.98 -0.51 1 23 TYR 0.29 -1.30 1 24 SER 0.00 -0.40 1 25 LEU -3.15 -0.13 1 27 SER 1.40 -1.02 1 28 GLN -3.08 0.13 1 32 GLU 0.43 -1.71 1 33 VAL 2.14 -2.30 1 34 THR -1.14 -0.58 1 36 ARG 4.31 -0.92 1 37 ILE 1.42 -1.48 1 38 TYR -4.13 1.33 1 39 VAL -3.70 0.91 1 41 ASN -3.80 0.71 1 42 ALA 1.14 0.48 1 43 SER 4.35 -1.83 1 44 VAL 4.40 -2.60 1 45 ALA 4.49 -3.28 1 46 GLN -0.92 0.06 1 47 ASP -1.93 -1.15 1 48 ILE 5.09 -2.67 1 50 LYS 5.12 -2.65 1 51 LEU 5.04 -2.45 1 52 GLN 4.37 -2.07 1 53 LYS 0.37 -0.41 1 54 LEU 2.76 -4.13 1 56 ILE 0.50 -0.36 1 57 THR -3.97 4.45 1 58 HIS -3.21 1.59 1 59 VAL -3.39 0.57 1 60 LEU -1.58 -0.74 1 61 ASN -0.52 -1.50 1 62 ALA -3.85 0.48 1 63 ALA 1.85 -0.29 1 64 GLU -0.77 -0.33 1 66 ARG 0.91 -1.49 1 71 VAL 1.54 -2.67 1 72 ASN 2.06 -0.71 1 73 THR -0.78 -1.12 1 74 ASN 4.56 -1.81 1 75 ALA 4.22 -1.84 1 76 ASN 3.64 -0.98 1 77 PHE -0.12 0.52 1 78 TYR 4.13 -2.07 1 80 ASP -0.29 1.02 1 81 SER -0.04 -0.19 1 83 ILE 2.30 -1.21 1 84 THR -4.81 4.04 1 85 TYR -0.23 -0.54 1 86 LEU -2.85 0.86 1 88 ILE 1.55 -3.60 1 89 LYS -1.57 -2.05 1 92 ASP -3.60 0.34 1 93 THR 3.41 -2.14 1 94 GLN 0.46 -1.27 1 95 GLU 1.01 0.72 1 96 PHE 1.61 -3.45 1 97 ASN 0.81 -0.52 1 98 LEU 1.76 -1.45 1 99 SER 2.57 -2.02 1 100 ALA -0.06 -0.14 1 101 TYR 3.20 -3.78 1 102 PHE 5.39 -2.21 1 103 GLU 3.94 -1.81 1 104 ARG 2.32 -0.34 1 105 ALA 4.93 -2.42 1 106 ALA 4.22 -1.57 1 107 ASP 3.87 -0.32 1 108 PHE 6.50 -2.02 1 109 ILE 3.61 -0.96 1 110 ASP 4.95 -2.51 1 111 GLN 3.32 -1.76 1 112 ALA 2.98 -2.65 1 113 LEU 2.00 -1.71 1 114 ALA -0.15 -1.39 1 115 GLN 4.56 -2.33 1 116 LYS -3.93 3.56 1 119 ARG -7.59 1.79 1 120 VAL -3.28 0.77 1 121 LEU 0.39 -2.54 1 122 VAL -5.19 3.12 1 123 HIS -1.05 -0.51 1 128 TYR -0.32 -0.40 1 129 SER -2.20 -1.37 1 130 ARG 9.89 -3.39 1 133 THR 3.74 -1.94 1 134 LEU 6.74 -2.51 1 135 VAL 6.81 -2.43 1 136 ILE 6.02 -4.21 1 137 ALA 5.86 -1.84 1 138 TYR 4.14 -2.05 1 139 LEU 1.50 0.50 1 140 MET 0.91 1.98 1 141 MET -0.14 -2.25 1 142 ARG 1.34 -2.72 1 143 GLN 6.26 -5.73 1 144 LYS -2.22 1.59 1 145 MET -1.74 -0.03 1 146 ASP 4.22 -2.43 1 147 VAL 6.67 -2.55 1 148 LYS 4.43 -1.22 1 149 SER 1.06 0.82 1 150 ALA 4.36 -0.95 1 151 LEU 4.37 -0.40 1 152 SER 4.45 -2.05 1 153 ILE 7.38 -2.77 1 154 VAL 1.92 -2.69 1 155 ARG 3.50 -1.74 1 156 GLN -3.16 3.32 1 157 ASN -0.25 0.76 1 158 ARG 3.91 -3.04 1 159 GLU 1.61 -1.60 1 163 ASN 4.92 -1.59 1 164 ASP 3.52 -4.67 1 166 PHE 5.09 -2.42 1 167 LEU 5.31 -2.33 1 168 ALA 4.72 -1.49 1 169 GLN 4.02 -1.69 1 170 LEU 4.90 -2.23 1 172 GLN 4.35 -2.11 1 173 LEU 3.27 1.04 1 174 ASN 2.94 -0.25 1 175 ASP 5.19 -1.94 1 176 ARG 4.41 -2.46 1 177 LEU 3.60 -1.82 1 178 ALA 3.81 -1.66 1 179 LYS 0.46 -0.60 1 180 GLU 0.53 -0.83 1 182 LYS -0.95 -0.71 1 183 LEU -1.04 -1.63 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27950_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.59 _LACS_plot.Line_1_terminator_val_y_1 -4.07 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.48 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.28 _LACS_plot.Line_2_terminator_val_x_2 9.89 _LACS_plot.Line_2_terminator_val_y_2 3.48 _LACS_plot.Y_axis_chem_shift_offset 0.47 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 119 ARG -7.59 -4.30 0 129 SER 9.89 0.50 0 85 TYR -0.23 -5.74 0 10 GLN 4.78 1.79 1 11 ASP 3.79 3.08 1 12 LEU 5.09 0.94 1 13 ASN 4.21 3.65 1 14 ASP 4.86 2.41 1 15 LEU 3.05 1.54 1 16 LEU 2.07 0.31 1 17 SER 0.54 -0.08 1 18 ASP 0.74 0.93 1 20 SER 0.98 0.77 1 23 TYR 0.29 0.19 1 24 SER 0.00 -1.91 1 25 LEU -3.15 -2.01 1 27 SER 1.40 0.09 1 28 GLN -3.08 -0.57 1 31 ASN -4.77 -2.78 1 32 GLU 0.43 -0.28 1 33 VAL 2.14 -2.39 1 34 THR -1.14 -3.78 1 36 ARG 4.31 -2.99 1 37 ILE 1.42 -2.38 1 38 TYR -4.13 -0.40 1 39 VAL -3.70 -0.16 1 41 ASN -3.80 -0.46 1 42 ALA 1.14 1.36 1 43 SER 4.35 3.09 1 44 VAL 4.40 -0.31 1 45 ALA 4.49 0.88 1 46 GLN -0.92 -2.90 1 47 ASP -1.93 -2.00 1 48 ILE 5.09 2.09 1 50 LYS 5.12 2.29 1 51 LEU 5.04 4.49 1 52 GLN 4.37 2.37 1 53 LYS 0.37 -1.03 1 54 LEU 2.76 -1.30 1 56 ILE 0.50 0.60 1 57 THR -3.97 -1.17 1 58 HIS -3.21 -5.14 1 59 VAL -3.39 -3.42 1 60 LEU -1.58 -1.68 1 61 ASN -0.52 -4.42 1 62 ALA -3.85 -2.55 1 63 ALA 1.85 -1.66 1 64 GLU -0.77 -5.01 1 66 ARG 0.91 -0.26 1 71 VAL 2.06 -1.07 1 73 THR 4.56 3.29 1 75 ALA 4.22 2.05 1 76 ASN 3.64 -0.24 1 77 PHE -0.12 0.65 1 78 TYR -0.29 0.74 1 81 SER 2.30 -2.58 1 84 THR -4.81 -2.24 1 86 LEU -2.85 -1.20 1 88 ILE 1.55 -0.77 1 89 LYS -1.57 -1.49 1 92 ASP -3.60 -0.17 1 93 THR 3.41 -0.01 1 94 GLN 0.46 -0.25 1 95 GLU 1.01 0.37 1 96 PHE 1.61 -0.44 1 97 ASN 0.81 0.05 1 98 LEU 1.76 1.40 1 99 SER 2.57 0.18 1 100 ALA -0.06 -0.47 1 101 TYR 3.20 2.22 1 102 PHE 5.39 1.06 1 103 GLU 3.94 3.66 1 104 ARG 2.32 0.33 1 105 ALA 4.93 1.33 1 106 ALA 4.22 1.87 1 107 ASP 3.87 0.82 1 108 PHE 6.50 0.81 1 109 ILE 3.61 3.15 1 110 ASP 4.95 2.34 1 111 GLN 3.32 0.59 1 112 ALA 2.98 1.35 1 113 LEU 2.00 0.99 1 114 ALA -0.15 1.50 1 115 GLN 4.56 0.68 1 116 LYS -3.93 -1.69 1 120 VAL -3.28 -4.21 1 121 LEU 0.39 -1.59 1 122 VAL -5.19 -2.24 1 123 HIS -1.05 -0.25 1 128 TYR -0.32 -1.12 1 133 THR 3.74 0.99 1 134 LEU 6.74 0.09 1 135 VAL 6.81 0.20 1 136 ILE 6.02 1.03 1 137 ALA 5.86 0.51 1 138 TYR 4.14 2.31 1 139 LEU 1.50 1.48 1 140 MET 0.91 1.85 1 141 MET -0.14 1.46 1 142 ARG 1.34 -1.18 1 143 GLN 6.26 -1.79 1 144 LYS -2.22 -2.09 1 145 MET -1.74 0.16 1 146 ASP 4.22 -1.11 1 147 VAL 6.67 2.54 1 148 LYS 4.43 1.70 1 149 SER 1.06 0.20 1 150 ALA 4.36 0.96 1 151 LEU 4.45 1.01 1 153 ILE 7.38 1.34 1 154 VAL 1.92 0.64 1 155 ARG 3.50 0.25 1 156 GLN -0.25 -3.55 1 158 ARG 3.91 -0.30 1 159 GLU 1.61 -1.07 1 163 ASN 4.92 3.76 1 164 ASP 3.52 3.64 1 166 PHE 5.09 1.59 1 167 LEU 5.31 3.03 1 168 ALA 4.72 4.62 1 169 GLN 4.02 1.94 1 170 LEU 4.90 2.91 1 172 GLN 4.35 -0.37 1 173 LEU 3.27 1.26 1 174 ASN 2.94 1.75 1 175 ASP 5.19 2.61 1 176 ARG 4.41 2.27 1 177 LEU 3.60 3.64 1 178 ALA 3.81 2.10 1 179 LYS 0.46 0.56 1 180 GLU 0.53 -0.72 1 182 LYS -0.95 -0.95 1 183 LEU -1.04 -3.09 1 stop_ save_