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 bmr15653_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -5.32 _LACS_plot.Line_1_terminator_val_y_1 -2.09 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.83 _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 9.02 _LACS_plot.Line_2_terminator_val_y_2 6.98 _LACS_plot.Y_axis_chem_shift_offset -0.07 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 184 TRP -2.63 -5.32 0 10 GLU -1.36 -0.87 1 11 PHE -0.16 0.58 1 13 GLU -1.15 -0.52 1 14 GLN 0.90 0.56 1 15 LYS -1.29 -0.94 1 16 ALA 2.60 1.37 1 18 GLU -1.21 -0.04 1 19 ALA 0.48 -0.23 1 20 ILE -5.32 -1.67 1 21 ASN 0.40 1.34 1 22 GLN 8.66 5.01 1 25 MET 4.26 2.97 1 27 ALA 3.89 2.50 1 28 ALA 4.25 3.02 1 40 SER 0.32 1.07 1 41 LYS 4.12 1.64 1 43 ASN 0.90 -0.73 1 45 ILE 7.36 5.50 1 46 ILE 3.65 -0.08 1 47 ALA 3.92 3.50 1 48 ALA 3.71 2.91 1 49 ALA 4.22 3.18 1 50 LYS 5.05 4.87 1 51 ARG 4.17 3.54 1 52 MET 3.74 4.52 1 53 ALA 4.13 3.42 1 54 LEU 5.34 3.41 1 55 LEU 2.77 3.00 1 56 MET 3.86 1.51 1 57 ALA 3.90 2.72 1 58 GLU 4.42 2.64 1 59 MET 5.75 5.30 1 60 SER 4.81 4.04 1 61 ARG 2.22 2.24 1 62 LEU 0.81 2.39 1 63 VAL 3.28 1.96 1 64 ARG 0.13 -1.49 1 67 SER 3.68 2.92 1 69 ASN -0.22 0.07 1 70 LYS 5.75 5.16 1 71 ARG 5.35 3.52 1 72 ALA 2.73 2.26 1 73 LEU 4.97 3.80 1 74 ILE 5.18 4.34 1 75 GLN 4.04 2.83 1 77 ALA 3.99 3.21 1 78 LYS 5.69 4.45 1 79 ASP 4.49 3.85 1 80 ILE 6.83 5.55 1 81 ALA 4.52 2.84 1 82 LYS 4.58 3.53 1 83 ALA 4.56 2.75 1 84 SER 5.89 4.67 1 85 ASP 3.79 3.45 1 86 GLU 3.68 2.98 1 87 VAL 6.98 5.53 1 88 THR 7.11 6.09 1 89 ARG 5.00 4.12 1 90 LEU 2.53 2.63 1 91 ALA 3.49 3.24 1 92 LYS 5.38 4.31 1 93 GLU 3.74 2.54 1 94 VAL 5.84 4.18 1 95 ALA 4.80 3.48 1 96 LYS 3.78 3.04 1 97 GLN -0.45 -0.49 1 99 THR 2.04 1.43 1 100 ASP -3.06 -0.44 1 101 LYS 4.69 4.00 1 102 ARG 4.67 3.65 1 103 ILE 4.75 3.80 1 104 ARG 4.86 4.75 1 105 THR 5.97 5.21 1 106 ASN 4.35 3.34 1 107 LEU 3.61 2.84 1 108 LEU 4.76 3.27 1 109 GLN 4.61 3.61 1 110 VAL 4.44 3.15 1 112 GLU 2.55 2.01 1 113 ARG 1.77 1.77 1 114 ILE 5.56 4.60 1 116 THR 5.03 4.31 1 117 ILE 7.39 5.93 1 119 THR 5.50 3.88 1 121 LEU 6.50 5.01 1 122 LYS 4.83 4.40 1 123 ILE 2.86 2.37 1 124 LEU 6.35 5.33 1 125 SER 3.70 1.66 1 128 LYS 3.20 2.85 1 129 ALA 3.28 3.22 1 130 THR 1.33 1.84 1 131 MET 2.55 1.58 1 132 LEU 0.54 0.23 1 134 ARG 0.56 0.48 1 135 THR 1.41 0.46 1 136 ASN -0.69 -0.75 1 137 ILE -0.46 -0.06 1 138 SER 2.77 2.42 1 139 ASP 4.06 3.29 1 140 GLU 3.50 3.14 1 141 GLU 3.29 2.72 1 142 SER 3.52 2.59 1 143 GLU 4.32 3.08 1 144 GLN 2.94 3.98 1 148 MET 4.55 4.16 1 149 LEU 6.54 5.05 1 150 VAL 4.03 3.67 1 151 HIS 3.36 4.82 1 152 ASN 3.92 3.81 1 153 ALA 5.06 4.18 1 154 GLN 3.76 2.83 1 155 ASN 5.03 3.57 1 156 LEU 2.02 3.62 1 157 MET 5.07 3.56 1 158 GLN 7.48 5.42 1 160 VAL 6.48 5.24 1 161 LYS 3.39 2.67 1 162 GLU 9.02 6.75 1 163 THR 7.68 5.90 1 164 VAL 4.40 3.57 1 165 ARG 2.46 1.53 1 166 GLU 4.85 2.64 1 167 ALA 6.92 3.17 1 168 GLU 3.99 2.49 1 169 ALA 1.12 1.53 1 170 ALA 3.51 3.26 1 171 SER 2.63 1.55 1 172 ILE -0.42 -1.61 1 173 LYS -1.29 -0.33 1 174 ILE 0.66 0.78 1 175 ARG 2.09 1.66 1 176 THR 0.73 -0.23 1 177 ASP 0.42 0.75 1 178 ALA -0.33 0.35 1 180 PHE -2.09 -0.80 1 181 THR -1.88 -0.66 1 182 LEU -1.19 -0.73 1 183 ARG 0.95 -2.00 1 185 VAL 1.40 0.72 1 186 ARG 0.70 0.27 1 187 LYS -2.24 -2.36 1 188 THR 0.02 -0.11 1 190 TRP -0.15 -0.29 1 191 TYR 0.82 1.88 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15653_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -5.32 _LACS_plot.Line_1_terminator_val_y_1 3.23 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.17 _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 9.02 _LACS_plot.Line_2_terminator_val_y_2 -2.04 _LACS_plot.Y_axis_chem_shift_offset -0.07 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 184 TRP -2.63 -2.69 0 10 GLU -1.36 0.49 1 11 PHE -0.16 0.74 1 13 GLU -1.15 0.63 1 14 GLN 0.90 -0.34 1 15 LYS -1.29 0.35 1 16 ALA 2.60 -1.23 1 18 GLU -1.21 1.17 1 19 ALA 0.48 -0.71 1 20 ILE -5.32 3.65 1 21 ASN 0.40 0.94 1 22 GLN 8.66 -3.65 1 25 MET 4.26 -1.29 1 27 ALA 3.89 -1.39 1 28 ALA 4.25 -1.23 1 40 SER 0.32 0.75 1 41 LYS 4.12 -2.48 1 43 ASN 0.90 -1.63 1 45 ILE 7.36 -1.86 1 46 ILE 3.65 -3.73 1 47 ALA 3.92 -0.42 1 48 ALA 3.71 -0.80 1 49 ALA 4.22 -1.04 1 50 LYS 5.05 -0.18 1 51 ARG 4.17 -0.63 1 52 MET 3.74 0.78 1 53 ALA 4.13 -0.71 1 54 LEU 5.34 -1.93 1 55 LEU 2.77 0.23 1 56 MET 3.86 -2.35 1 57 ALA 3.90 -1.18 1 58 GLU 4.42 -1.78 1 59 MET 5.75 -0.45 1 60 SER 4.81 -0.77 1 61 ARG 2.22 0.02 1 62 LEU 0.81 1.58 1 63 VAL 3.28 -1.32 1 64 ARG 0.13 -1.62 1 67 SER 3.68 -0.76 1 69 ASN -0.22 0.29 1 70 LYS 5.75 -0.59 1 71 ARG 5.35 -1.83 1 72 ALA 2.73 -0.47 1 73 LEU 4.97 -1.17 1 74 ILE 5.18 -0.84 1 75 GLN 4.04 -1.21 1 77 ALA 3.99 -0.78 1 78 LYS 5.69 -1.24 1 79 ASP 4.49 -0.64 1 80 ILE 6.83 -1.28 1 81 ALA 4.52 -1.68 1 82 LYS 4.58 -1.05 1 83 ALA 4.56 -1.81 1 84 SER 5.89 -1.22 1 85 ASP 3.79 -0.34 1 86 GLU 3.68 -0.70 1 87 VAL 6.98 -1.45 1 88 THR 7.11 -1.02 1 89 ARG 5.00 -0.88 1 90 LEU 2.53 0.10 1 91 ALA 3.49 -0.25 1 92 LYS 5.38 -1.07 1 93 GLU 3.74 -1.20 1 94 VAL 5.84 -1.66 1 95 ALA 4.80 -1.32 1 96 LYS 3.78 -0.74 1 97 GLN -0.45 -0.04 1 99 THR 2.04 -0.61 1 100 ASP -3.06 2.62 1 101 LYS 4.69 -0.69 1 102 ARG 4.67 -1.02 1 103 ILE 4.75 -0.95 1 104 ARG 4.86 -0.11 1 105 THR 5.97 -0.76 1 106 ASN 4.35 -1.01 1 107 LEU 3.61 -0.77 1 108 LEU 4.76 -1.49 1 109 GLN 4.61 -1.00 1 110 VAL 4.44 -1.29 1 112 GLU 2.55 -0.54 1 113 ARG 1.77 0.00 1 114 ILE 5.56 -0.96 1 116 THR 5.03 -0.72 1 117 ILE 7.39 -1.46 1 119 THR 5.50 -1.62 1 121 LEU 6.50 -1.49 1 122 LYS 4.83 -0.43 1 123 ILE 2.86 -0.49 1 124 LEU 6.35 -1.02 1 125 SER 3.70 -2.04 1 128 LYS 3.20 -0.35 1 129 ALA 3.28 -0.06 1 130 THR 1.33 0.51 1 131 MET 2.55 -0.97 1 132 LEU 0.54 -0.31 1 134 ARG 0.56 -0.08 1 135 THR 1.41 -0.95 1 136 ASN -0.69 -0.06 1 137 ILE -0.46 0.40 1 138 SER 2.77 -0.35 1 139 ASP 4.06 -0.77 1 140 GLU 3.50 -0.36 1 141 GLU 3.29 -0.57 1 142 SER 3.52 -0.93 1 143 GLU 4.32 -1.24 1 144 GLN 2.94 1.04 1 148 MET 4.55 -0.39 1 149 LEU 6.54 -1.49 1 150 VAL 4.03 -0.36 1 151 HIS 3.36 1.46 1 152 ASN 3.92 -0.11 1 153 ALA 5.06 -0.88 1 154 GLN 3.76 -0.93 1 155 ASN 5.03 -1.46 1 156 LEU 2.02 1.60 1 157 MET 5.07 -1.51 1 158 GLN 7.48 -2.06 1 160 VAL 6.48 -1.24 1 161 LYS 3.39 -0.72 1 162 GLU 9.02 -2.27 1 163 THR 7.68 -1.78 1 164 VAL 4.40 -0.83 1 165 ARG 2.46 -0.93 1 166 GLU 4.85 -2.21 1 167 ALA 6.92 -3.75 1 168 GLU 3.99 -1.50 1 169 ALA 1.12 0.41 1 170 ALA 3.51 -0.25 1 171 SER 2.63 -1.08 1 172 ILE -0.42 -1.19 1 173 LYS -1.29 0.96 1 174 ILE 0.66 0.12 1 175 ARG 2.09 -0.43 1 176 THR 0.73 -0.96 1 177 ASP 0.42 0.33 1 178 ALA -0.33 0.68 1 180 PHE -2.09 1.29 1 181 THR -1.88 1.22 1 182 LEU -1.19 0.46 1 183 ARG 0.95 -2.95 1 185 VAL 1.40 -0.68 1 186 ARG 0.70 -0.43 1 187 LYS -2.24 -0.12 1 188 THR 0.02 -0.13 1 190 TRP -0.15 -0.14 1 191 TYR 0.82 1.06 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15653_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -5.32 _LACS_plot.Line_1_terminator_val_y_1 -2.55 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.84 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.65 _LACS_plot.Line_2_terminator_val_x_2 9.02 _LACS_plot.Line_2_terminator_val_y_2 3.38 _LACS_plot.Y_axis_chem_shift_offset -0.00 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 191 TYR 0.82 4.06 0 20 ILE -5.32 -0.91 0 10 GLU -1.36 -1.49 1 11 PHE -0.16 -0.09 1 13 GLU -1.15 -0.36 1 14 GLN 0.90 -0.33 1 15 LYS -1.29 0.20 1 16 ALA 2.60 1.25 1 18 GLU -1.21 -0.87 1 19 ALA 0.48 -1.99 1 21 ASN 0.40 -1.32 1 25 MET 4.26 2.06 1 27 ALA 3.89 1.73 1 28 ALA 4.25 1.55 1 40 SER 0.32 0.41 1 41 LYS 4.12 0.42 1 43 ASN 0.90 -1.26 1 45 ILE 7.36 0.12 1 46 ILE 3.65 0.01 1 47 ALA 3.92 2.85 1 48 ALA 3.71 1.54 1 49 ALA 4.22 1.56 1 50 LYS 5.05 2.14 1 51 ARG 4.17 2.50 1 52 MET 3.74 1.30 1 53 ALA 4.13 1.40 1 54 LEU 5.34 3.30 1 55 LEU 2.77 1.60 1 56 MET 3.86 1.80 1 57 ALA 3.90 2.88 1 58 GLU 4.42 3.01 1 59 MET 5.75 1.18 1 60 SER 4.81 0.62 1 61 ARG 2.22 3.08 1 62 LEU 0.81 2.71 1 63 VAL 3.28 -1.08 1 64 ARG 0.13 0.10 1 67 SER 3.68 2.15 1 69 ASN -0.22 -0.23 1 70 LYS 5.75 0.26 1 71 ARG 5.35 2.89 1 72 ALA 2.73 2.35 1 73 LEU 4.97 -0.01 1 74 ILE 5.18 2.15 1 75 GLN 4.04 1.00 1 77 ALA 3.99 2.03 1 78 LYS 5.69 3.00 1 79 ASP 4.49 4.01 1 80 ILE 6.83 1.76 1 81 ALA 4.52 1.88 1 82 LYS 4.58 2.82 1 83 ALA 4.56 1.87 1 84 SER 5.89 1.91 1 85 ASP 3.79 2.18 1 86 GLU 3.68 1.74 1 87 VAL 6.98 0.83 1 88 THR 7.11 1.11 1 89 ARG 5.00 3.41 1 90 LEU 2.53 1.53 1 91 ALA 3.49 1.61 1 92 LYS 5.38 2.70 1 93 GLU 3.74 2.76 1 94 VAL 5.84 2.43 1 95 ALA 4.80 1.51 1 96 LYS 3.78 1.56 1 97 GLN -0.45 -1.16 1 99 THR 2.04 -0.77 1 100 ASP -3.06 -0.87 1 101 LYS 4.69 1.70 1 102 ARG 4.67 2.04 1 103 ILE 4.75 1.70 1 104 ARG 4.86 1.10 1 105 THR 5.97 1.65 1 106 ASN 4.35 2.64 1 107 LEU 3.61 0.20 1 108 LEU 4.76 1.73 1 109 GLN 4.61 3.24 1 110 VAL 4.44 1.88 1 112 GLU 2.55 1.40 1 113 ARG 1.77 1.67 1 114 ILE 5.56 1.73 1 116 THR 5.03 2.92 1 117 ILE 5.50 2.56 1 121 LEU 6.50 2.71 1 122 LYS 4.83 2.69 1 123 ILE 2.86 2.49 1 124 LEU 3.70 1.34 1 128 LYS 3.20 1.48 1 129 ALA 3.28 0.67 1 130 THR 1.33 0.67 1 131 MET 2.55 0.70 1 132 LEU 0.54 0.58 1 134 ARG 0.56 -0.07 1 135 THR 1.41 -0.40 1 136 ASN -0.69 -0.55 1 137 ILE -0.46 0.22 1 138 SER 2.77 1.42 1 139 ASP 4.06 2.38 1 140 GLU 3.50 1.95 1 141 GLU 3.29 3.77 1 142 SER 3.52 2.76 1 143 GLU 2.94 3.14 1 148 MET 4.55 0.27 1 149 LEU 6.54 1.83 1 150 VAL 4.03 3.75 1 151 HIS 3.36 1.35 1 152 ASN 3.92 2.10 1 153 ALA 5.06 2.85 1 154 GLN 3.76 3.45 1 155 ASN 5.03 0.56 1 156 LEU 2.02 2.08 1 157 MET 5.07 2.75 1 158 GLN 7.48 0.60 1 160 VAL 6.48 1.51 1 161 LYS 3.39 1.90 1 162 GLU 9.02 1.12 1 163 THR 7.68 0.41 1 164 VAL 4.40 3.92 1 165 ARG 2.46 1.61 1 166 GLU 4.85 1.53 1 167 ALA 6.92 2.16 1 168 GLU 3.99 2.41 1 169 ALA 1.12 1.33 1 170 ALA 3.51 0.39 1 171 SER 2.63 0.44 1 172 ILE -0.42 -1.33 1 173 LYS -1.29 0.37 1 174 ILE 0.66 0.88 1 175 ARG 2.09 -0.03 1 176 THR 0.73 -0.33 1 177 ASP 0.42 0.48 1 178 ALA -0.33 -1.15 1 180 PHE -2.09 -1.83 1 181 THR -1.88 -2.44 1 182 LEU -1.19 -0.27 1 183 ARG 0.95 -1.19 1 184 TRP -2.63 -0.08 1 185 VAL 1.40 -0.03 1 186 ARG 0.70 -0.22 1 187 LYS -2.24 -1.74 1 188 THR 0.02 -0.74 1 190 TRP -0.15 -1.76 1 stop_ save_