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 bmr27174_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.16 _LACS_plot.Line_1_terminator_val_y_1 -4.38 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.15 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -2.00 _LACS_plot.Line_2_terminator_val_x_2 7.30 _LACS_plot.Line_2_terminator_val_y_2 4.65 _LACS_plot.Y_axis_chem_shift_offset 0.66 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 134 ALA -5.32 -0.95 0 111 ALA -8.16 -3.62 0 20 HIS 4.60 6.51 0 123 LEU 7.31 0.43 0 10 ASN 3.41 2.40 1 14 THR -1.10 -3.76 1 15 ASP 0.48 1.85 1 16 THR -0.21 -1.29 1 17 ALA 3.13 2.98 1 18 GLU 3.64 1.96 1 19 TYR 3.00 0.42 1 21 PHE 3.99 2.11 1 22 ARG 4.18 3.10 1 23 ALA 2.68 1.84 1 24 TRP 1.55 1.88 1 25 LYS 4.98 3.20 1 26 ALA 3.71 1.60 1 27 LEU 3.10 1.93 1 28 ALA 4.38 2.43 1 29 GLU 3.70 2.01 1 30 GLU 3.21 2.17 1 31 ILE 1.49 -0.32 1 33 ILE -0.13 -0.29 1 34 ASN -1.47 -0.84 1 36 VAL 4.92 0.02 1 37 ASP -3.97 -3.25 1 38 ARG 6.12 3.42 1 39 GLN 5.24 2.96 1 40 PHE 4.39 3.41 1 41 ASN 2.33 2.99 1 42 GLU 3.18 1.97 1 43 GLN 2.01 0.22 1 44 LEU 2.32 -1.52 1 45 LYS 3.55 1.80 1 47 VAL 0.38 -1.16 1 48 SER -2.02 -0.20 1 49 ARG 3.52 3.42 1 50 GLU 6.73 4.57 1 51 ASP 4.35 2.50 1 53 LEU 5.66 1.63 1 54 GLN 3.86 2.46 1 55 LYS 4.74 3.11 1 56 ILE 5.39 3.76 1 57 LEU 6.14 2.52 1 58 ASP 3.67 2.03 1 59 LEU 3.75 2.14 1 60 ALA -3.78 -2.53 1 61 ASP 2.45 0.72 1 62 LYS -0.48 -0.75 1 63 LYS -0.89 -1.96 1 64 VAL -5.53 -4.10 1 65 SER -2.10 -1.31 1 66 ALA 4.43 2.41 1 67 GLU 4.28 2.73 1 68 GLU 2.56 2.00 1 69 PHE 4.91 4.12 1 70 LYS 4.19 2.77 1 71 GLU 3.60 2.04 1 72 LEU 3.45 2.36 1 73 ALA 5.56 2.44 1 74 LYS 4.42 2.75 1 75 ARG 4.63 3.14 1 76 LYS 6.10 2.43 1 77 ASN 4.48 3.84 1 78 ASP 4.56 2.64 1 79 ASN 2.92 1.79 1 80 TYR 4.24 3.58 1 81 VAL 5.76 3.20 1 82 LYS 4.49 2.55 1 83 MET 3.85 2.63 1 84 ILE 3.70 0.91 1 85 GLN 3.26 1.59 1 86 ASP -0.25 -0.77 1 87 VAL 3.95 1.37 1 88 SER -1.44 0.70 1 90 ALA 2.23 0.59 1 91 ASP 1.08 0.91 1 92 VAL 3.15 1.09 1 93 TYR 2.93 -1.50 1 96 ILE 5.07 -0.05 1 97 LEU 5.03 2.91 1 98 GLN 3.66 1.80 1 99 LEU 5.31 2.60 1 100 LEU 5.51 2.73 1 101 LYS 4.99 3.68 1 102 ASP 4.47 2.79 1 103 LEU 5.73 3.05 1 104 ARG 5.56 3.16 1 105 SER 4.39 2.74 1 106 ASN -0.03 0.42 1 107 LYS 6.33 0.54 1 108 ILE 0.65 -1.28 1 109 LYS -0.85 -1.44 1 110 ILE -1.52 -0.18 1 112 LEU -2.36 -1.25 1 113 ALA -2.75 -3.10 1 114 SER -2.62 -2.20 1 115 ALA 0.72 -0.34 1 116 SER -1.51 -2.48 1 117 LYS 3.66 1.65 1 118 ASN 0.59 1.15 1 121 PHE 3.41 2.49 1 122 LEU 4.24 2.61 1 124 GLU 3.93 1.98 1 125 ARG 3.26 0.63 1 126 MET 1.02 0.38 1 127 ASN 2.76 0.23 1 128 LEU -3.65 -1.54 1 129 THR 6.59 5.14 1 131 TYR 1.95 1.73 1 132 PHE 1.38 0.52 1 133 ASP 1.31 2.37 1 135 ILE -2.03 -0.81 1 136 ALA 0.22 -1.05 1 137 ASP -2.08 -1.73 1 139 ALA 1.20 0.11 1 140 GLU -1.20 -1.28 1 141 VAL -2.11 -2.87 1 142 ALA 2.08 0.79 1 143 ALA -3.25 -1.60 1 144 SER -0.76 -1.91 1 145 LYS 5.67 2.77 1 147 ALA 2.32 0.90 1 149 ASP 6.19 3.74 1 150 ILE 2.44 1.24 1 151 PHE 6.63 5.26 1 152 ILE 6.01 4.47 1 153 ALA 3.32 1.59 1 154 ALA 3.99 2.47 1 155 ALA 4.68 1.57 1 156 HIS 3.09 3.16 1 157 ALA 2.94 1.43 1 158 VAL -0.27 -2.96 1 160 VAL -4.41 -3.49 1 161 ALA -0.09 -1.08 1 163 SER 3.48 1.42 1 164 GLU -0.32 -1.06 1 165 SER -2.34 -0.96 1 166 ILE -4.33 -2.23 1 168 LEU -0.48 -2.21 1 169 GLU -5.98 -2.20 1 171 SER 5.46 3.54 1 172 GLN 3.71 1.44 1 173 ALA 5.27 0.72 1 175 ILE 4.75 2.41 1 176 GLN 2.38 2.26 1 177 ALA 6.16 3.59 1 178 ILE 4.98 3.62 1 179 LYS 4.21 1.88 1 180 ASP 1.60 2.07 1 181 SER -1.88 -1.78 1 183 ALA 1.17 0.25 1 186 ILE -4.08 -5.14 1 188 VAL -1.59 -1.68 1 190 ARG 5.00 2.66 1 192 GLU 0.15 0.69 1 193 ASP -0.08 0.04 1 194 LEU -0.42 -0.64 1 196 ASP 0.80 -0.82 1 197 ASP -4.76 -2.98 1 198 ILE 4.04 1.35 1 199 VAL -5.38 -3.20 1 200 ILE -2.51 -3.68 1 201 VAL -1.40 -1.15 1 203 ASP 4.28 3.31 1 204 THR 4.76 2.80 1 205 SER 0.47 1.78 1 206 HIS -0.10 -3.79 1 207 TYR -5.21 -3.98 1 208 THR 5.81 3.10 1 209 LEU 4.27 2.80 1 210 GLU 3.23 3.00 1 211 PHE 6.44 3.61 1 212 LEU 5.52 4.23 1 213 LYS 3.77 2.39 1 214 GLU 5.85 3.46 1 215 VAL 4.02 2.95 1 216 TRP 3.51 1.79 1 217 LEU 2.94 1.29 1 218 GLN 1.05 -0.87 1 219 LYS 1.01 -0.69 1 220 GLN 1.79 0.92 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27174_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.16 _LACS_plot.Line_1_terminator_val_y_1 3.78 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.85 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.00 _LACS_plot.Line_2_terminator_val_x_2 7.30 _LACS_plot.Line_2_terminator_val_y_2 -2.65 _LACS_plot.Y_axis_chem_shift_offset 0.66 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 134 ALA -5.32 4.37 0 111 ALA -8.16 4.54 0 20 HIS 4.60 1.91 0 123 LEU 7.31 -6.88 0 10 ASN 3.41 -1.01 1 14 THR -1.10 -2.66 1 15 ASP 0.48 1.37 1 16 THR -0.21 -1.08 1 17 ALA 3.13 -0.15 1 18 GLU 3.64 -1.68 1 19 TYR 3.00 -2.58 1 21 PHE 3.99 -1.88 1 22 ARG 4.18 -1.08 1 23 ALA 2.68 -0.84 1 24 TRP 1.55 0.33 1 25 LYS 4.98 -1.78 1 26 ALA 3.71 -2.11 1 27 LEU 3.10 -1.17 1 28 ALA 4.38 -1.95 1 29 GLU 3.70 -1.69 1 30 GLU 3.21 -1.04 1 31 ILE 1.49 -1.81 1 33 ILE -0.13 -0.16 1 34 ASN -1.47 0.63 1 36 VAL 4.92 -4.90 1 37 ASP -3.97 0.72 1 38 ARG 6.12 -2.70 1 39 GLN 5.24 -2.28 1 40 PHE 4.39 -0.98 1 41 ASN 2.33 0.66 1 42 GLU 3.18 -1.21 1 43 GLN 2.01 -1.79 1 44 LEU 2.32 -3.84 1 45 LYS 3.55 -1.75 1 47 VAL 0.38 -1.54 1 48 SER -2.02 1.82 1 49 ARG 3.52 -0.10 1 50 GLU 6.73 -2.16 1 51 ASP 4.35 -1.85 1 53 LEU 5.66 -4.03 1 54 GLN 3.86 -1.40 1 55 LYS 4.74 -1.63 1 56 ILE 5.39 -1.63 1 57 LEU 6.14 -3.62 1 58 ASP 3.67 -1.64 1 59 LEU 3.75 -1.61 1 60 ALA -3.78 1.25 1 61 ASP 2.45 -1.73 1 62 LYS -0.48 -0.27 1 63 LYS -0.89 -1.07 1 64 VAL -5.53 1.43 1 65 SER -2.10 0.79 1 66 ALA 4.43 -2.02 1 67 GLU 4.28 -1.55 1 68 GLU 2.56 -0.56 1 69 PHE 4.91 -0.79 1 70 LYS 4.19 -1.42 1 71 GLU 3.60 -1.56 1 72 LEU 3.45 -1.09 1 73 ALA 5.56 -3.12 1 74 LYS 4.42 -1.67 1 75 ARG 4.63 -1.49 1 76 LYS 6.10 -3.67 1 77 ASN 4.48 -0.64 1 78 ASP 4.56 -1.92 1 79 ASN 2.92 -1.13 1 80 TYR 4.24 -0.66 1 81 VAL 5.76 -2.56 1 82 LYS 4.49 -1.94 1 83 MET 3.85 -1.22 1 84 ILE 3.70 -2.79 1 85 GLN 3.26 -1.67 1 86 ASP -0.25 -0.52 1 87 VAL 3.95 -2.58 1 88 SER -1.44 2.14 1 90 ALA 2.23 -1.64 1 91 ASP 1.08 -0.17 1 92 VAL 3.15 -2.06 1 93 TYR 2.93 -4.43 1 96 ILE 5.07 -5.12 1 97 LEU 5.03 -2.12 1 98 GLN 3.66 -1.86 1 99 LEU 5.31 -2.71 1 100 LEU 5.51 -2.78 1 101 LYS 4.99 -1.31 1 102 ASP 4.47 -1.68 1 103 LEU 5.73 -2.68 1 104 ARG 5.56 -2.40 1 105 SER 4.39 -1.65 1 106 ASN -0.03 0.45 1 107 LYS 6.33 -5.79 1 108 ILE 0.65 -1.93 1 109 LYS -0.85 -0.59 1 110 ILE -1.52 1.34 1 112 LEU -2.36 1.11 1 113 ALA -2.75 -0.35 1 114 SER -2.62 0.42 1 115 ALA 0.72 -1.06 1 116 SER -1.51 -0.97 1 117 LYS 3.66 -2.01 1 118 ASN 0.59 0.56 1 121 PHE 3.41 -0.92 1 122 LEU 4.24 -1.63 1 124 GLU 3.93 -1.95 1 125 ARG 3.26 -2.63 1 126 MET 1.02 -0.64 1 127 ASN 2.76 -2.53 1 128 LEU -3.65 2.11 1 129 THR 6.59 -1.45 1 131 TYR 1.95 -0.22 1 132 PHE 1.38 -0.86 1 133 ASP 1.31 1.06 1 135 ILE -2.03 1.22 1 136 ALA 0.22 -1.27 1 137 ASP -2.08 0.35 1 139 ALA 1.20 -1.09 1 140 GLU -1.20 -0.08 1 141 VAL -2.11 -0.76 1 142 ALA 2.08 -1.29 1 143 ALA -3.25 1.65 1 144 SER -0.76 -1.15 1 145 LYS 5.67 -2.90 1 147 ALA 2.32 -1.42 1 149 ASP 6.19 -2.45 1 150 ILE 2.44 -1.20 1 151 PHE 6.63 -1.37 1 152 ILE 6.01 -1.54 1 153 ALA 3.32 -1.73 1 154 ALA 3.99 -1.52 1 155 ALA 4.68 -3.11 1 156 HIS 3.09 0.07 1 157 ALA 2.94 -1.51 1 158 VAL -0.27 -2.69 1 160 VAL -4.41 0.92 1 161 ALA -0.09 -0.99 1 163 SER 3.48 -2.06 1 164 GLU -0.32 -0.74 1 165 SER -2.34 1.38 1 166 ILE -4.33 2.10 1 168 LEU -0.48 -1.73 1 169 GLU -5.98 3.78 1 171 SER 5.46 -1.92 1 172 GLN 3.71 -2.27 1 173 ALA 5.27 -4.55 1 175 ILE 4.75 -2.34 1 176 GLN 2.38 -0.12 1 177 ALA 6.16 -2.57 1 178 ILE 4.98 -1.36 1 179 LYS 4.21 -2.33 1 180 ASP 1.60 0.47 1 181 SER -1.88 0.10 1 183 ALA 1.17 -0.92 1 186 ILE -4.08 -1.06 1 188 VAL -1.59 -0.09 1 190 ARG 5.00 -2.34 1 192 GLU 0.15 0.54 1 193 ASP -0.08 0.12 1 194 LEU -0.42 -0.22 1 196 ASP 0.80 -1.62 1 197 ASP -4.76 1.78 1 198 ILE 4.04 -2.69 1 199 VAL -5.38 2.18 1 200 ILE -2.51 -1.17 1 201 VAL -1.40 0.25 1 203 ASP 4.28 -0.97 1 204 THR 4.76 -1.96 1 205 SER 0.47 1.31 1 206 HIS -0.10 -3.69 1 207 TYR -5.21 1.23 1 208 THR 5.81 -2.71 1 209 LEU 4.27 -1.47 1 210 GLU 3.23 -0.23 1 211 PHE 6.44 -2.83 1 212 LEU 5.52 -1.29 1 213 LYS 3.77 -1.38 1 214 GLU 5.85 -2.39 1 215 VAL 4.02 -1.07 1 216 TRP 3.51 -1.72 1 217 LEU 2.94 -1.65 1 218 GLN 1.05 -1.92 1 219 LYS 1.01 -1.70 1 220 GLN 1.79 -0.87 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27174_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -8.16 _LACS_plot.Line_1_terminator_val_y_1 -2.80 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.63 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.72 _LACS_plot.Line_2_terminator_val_x_2 7.30 _LACS_plot.Line_2_terminator_val_y_2 2.34 _LACS_plot.Y_axis_chem_shift_offset 0.06 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 122 LEU 4.24 -3.83 0 111 ALA -8.16 -2.10 0 116 SER -1.51 4.68 0 10 ASN 3.41 -1.77 1 14 THR -1.10 -1.78 1 15 ASP 0.48 -0.22 1 16 THR -0.21 -0.27 1 17 ALA 3.13 1.89 1 18 GLU 3.64 1.68 1 19 TYR 3.00 2.54 1 20 HIS 4.60 3.10 1 21 PHE 3.99 0.81 1 22 ARG 4.18 3.29 1 23 ALA 2.68 2.37 1 24 TRP 1.55 2.46 1 25 LYS 4.98 1.44 1 26 ALA 3.71 2.68 1 27 LEU 3.10 0.83 1 28 ALA 4.38 2.03 1 29 GLU 3.70 3.46 1 30 GLU 3.21 2.17 1 31 ILE 1.49 -0.64 1 33 ILE -0.13 -1.49 1 34 ASN -1.47 -0.32 1 36 VAL 4.92 -2.78 1 37 ASP -3.97 0.00 1 38 ARG 6.12 2.22 1 39 GLN 5.24 2.95 1 40 PHE 4.39 1.69 1 41 ASN 2.33 1.96 1 42 GLU 3.18 2.12 1 43 GLN 2.01 -0.54 1 44 LEU 2.32 0.75 1 45 LYS 3.55 -0.18 1 47 VAL 0.38 0.00 1 48 SER -2.02 -0.01 1 49 ARG 3.52 1.75 1 50 GLU 6.73 1.78 1 51 ASP 4.35 3.15 1 53 LEU 5.66 0.52 1 54 GLN 3.86 1.07 1 55 LYS 4.74 2.74 1 56 ILE 5.39 0.96 1 57 LEU 6.14 3.33 1 58 ASP 3.67 2.83 1 59 LEU 3.75 0.63 1 60 ALA -3.78 -1.96 1 61 ASP 2.45 -1.70 1 62 LYS -0.48 -1.22 1 63 LYS -0.89 -0.47 1 64 VAL -5.53 -0.68 1 65 SER -2.10 -0.18 1 66 ALA 4.43 3.05 1 67 GLU 4.28 2.66 1 68 GLU 2.56 1.72 1 69 PHE 4.91 0.72 1 70 LYS 4.19 3.22 1 71 GLU 3.60 2.09 1 72 LEU 3.45 0.45 1 73 ALA 5.56 1.07 1 74 LYS 4.42 1.55 1 75 ARG 4.63 3.16 1 76 LYS 6.10 2.51 1 77 ASN 4.48 0.53 1 78 ASP 4.56 2.61 1 79 ASN 2.92 1.37 1 80 TYR 4.24 0.42 1 81 VAL 5.76 2.32 1 82 LYS 4.49 2.66 1 83 MET 3.85 1.45 1 84 ILE 3.70 -0.48 1 85 GLN 3.26 0.06 1 86 ASP -0.25 0.45 1 87 VAL 3.95 -2.14 1 88 SER -1.44 0.68 1 90 ALA 2.23 0.05 1 91 ASP 1.08 0.25 1 92 VAL 3.15 0.53 1 93 TYR 2.93 0.25 1 96 ILE 5.07 0.40 1 97 LEU 5.03 0.28 1 98 GLN 3.66 1.26 1 99 LEU 5.31 0.76 1 100 LEU 5.51 1.33 1 101 LYS 4.99 3.51 1 102 ASP 4.47 3.38 1 103 LEU 5.73 1.33 1 104 ARG 5.56 5.44 1 105 SER 4.39 0.39 1 106 ASN -0.03 -2.99 1 107 LYS 6.33 -1.69 1 108 ILE 0.65 -0.81 1 109 LYS -0.85 -1.07 1 110 ILE -1.52 -0.80 1 112 LEU -2.36 -3.88 1 113 ALA -2.75 -3.14 1 114 SER -2.62 1.65 1 115 ALA 0.72 -0.30 1 117 LYS 3.66 0.70 1 118 ASN 0.59 -1.06 1 121 PHE 3.41 1.49 1 123 LEU 7.31 -1.16 1 124 GLU 3.93 4.11 1 125 ARG 3.26 1.94 1 126 MET 1.02 -2.87 1 127 ASN 2.76 0.56 1 128 LEU -3.65 0.08 1 129 THR 6.59 1.53 1 131 TYR 1.95 -1.58 1 132 PHE 1.38 -0.09 1 133 ASP 1.31 -0.02 1 134 ALA -5.32 -2.55 1 135 ILE -2.03 -0.75 1 136 ALA 0.22 -2.55 1 137 ASP -2.08 1.71 1 139 ALA 1.20 0.85 1 140 GLU -1.20 0.11 1 141 VAL -2.11 -0.64 1 142 ALA 2.08 -0.18 1 143 ALA -3.25 -1.83 1 144 SER -0.76 0.86 1 145 LYS 5.67 0.25 1 147 ALA 2.32 1.99 1 149 ASP 6.19 1.69 1 150 ILE 2.44 -0.91 1 151 PHE 6.63 1.79 1 152 ILE 6.01 1.08 1 153 ALA 3.32 2.89 1 154 ALA 3.99 -1.38 1 155 ALA 4.68 1.76 1 156 HIS 3.09 5.57 1 157 ALA 2.94 1.38 1 158 VAL -0.27 -0.91 1 160 VAL -4.41 -2.27 1 161 ALA -0.09 2.76 1 163 SER 3.48 1.20 1 164 GLU -0.32 -2.10 1 165 SER -2.34 -2.55 1 166 ILE -4.33 -1.45 1 168 LEU -0.48 -2.26 1 169 GLU -5.98 -0.72 1 171 SER 5.46 3.19 1 172 GLN 3.71 1.93 1 173 ALA 5.27 1.35 1 175 ILE 4.75 0.82 1 176 GLN 2.38 1.88 1 177 ALA 6.16 4.38 1 178 ILE 4.98 4.10 1 179 LYS 4.21 0.82 1 180 ASP 1.60 -0.86 1 181 SER -1.88 -3.18 1 183 ALA 1.17 2.03 1 186 ILE -4.08 -2.43 1 188 VAL 5.00 -0.03 1 192 GLU 0.15 0.31 1 193 ASP -0.08 -1.28 1 194 LEU -0.42 0.43 1 196 ASP 0.80 -1.09 1 197 ASP -4.76 -1.19 1 198 ILE 4.04 -2.17 1 199 VAL -5.38 -0.47 1 200 ILE -2.51 -0.63 1 201 VAL -1.40 -0.82 1 203 ASP 4.28 1.65 1 204 THR 4.76 0.90 1 205 SER 0.47 2.54 1 206 HIS -0.10 -2.55 1 207 TYR -5.21 -0.16 1 208 THR 5.81 0.08 1 209 LEU 4.27 2.07 1 210 GLU 3.23 0.82 1 211 PHE 6.44 1.31 1 212 LEU 5.52 1.33 1 213 LYS 3.77 2.82 1 214 GLU 5.85 1.96 1 215 VAL 3.51 2.15 1 217 LEU 2.94 1.54 1 218 GLN 1.05 -0.16 1 219 LYS 1.01 -1.07 1 220 GLN 1.79 4.75 1 stop_ save_