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 bmr17521_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.95 _LACS_plot.Line_1_terminator_val_y_1 -2.72 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.75 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.55 _LACS_plot.Line_2_terminator_val_x_2 7.88 _LACS_plot.Line_2_terminator_val_y_2 6.15 _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 30 LYS 0.73 -2.21 0 83 ASN -5.20 0.66 0 32 TYR -1.28 -3.60 0 10 LEU -1.34 -1.03 1 11 VAL -2.77 -1.23 1 12 GLU -0.10 0.36 1 13 ASN 0.38 0.68 1 15 ARG 0.60 0.11 1 17 ASN 1.44 0.83 1 18 THR 0.00 -0.31 1 19 LEU 2.29 2.50 1 20 TRP 7.53 6.12 1 22 GLN 4.11 3.53 1 23 VAL 7.05 5.32 1 24 VAL 7.02 5.27 1 25 SER 4.55 3.64 1 26 VAL 5.39 3.97 1 27 LEU 4.12 2.77 1 28 GLN 4.19 3.18 1 29 ALA 3.20 2.02 1 31 ASN 3.05 1.08 1 33 THR 2.00 1.47 1 34 ILE -0.77 -0.26 1 35 THR 2.14 1.07 1 36 GLN -1.72 0.04 1 37 ARG -2.70 0.49 1 38 ASP -2.60 -2.23 1 39 ASP 3.47 3.20 1 40 ALA 3.31 2.26 1 42 GLN 2.64 -0.09 1 43 THR -3.02 -1.38 1 44 LEU -3.32 -0.75 1 45 THR -2.81 -0.89 1 46 THR -2.89 -0.92 1 47 ASP -2.81 -1.74 1 48 TRP -0.10 1.07 1 49 VAL -1.66 -0.28 1 50 GLN -1.59 -0.76 1 51 TRP -3.41 -1.53 1 52 ASN -0.85 0.56 1 53 ARG -2.44 -0.16 1 54 LEU 1.69 1.32 1 55 ASP 0.97 -0.21 1 56 GLU -2.20 -1.04 1 57 ASP 1.00 1.39 1 58 GLU -2.45 -0.93 1 59 GLN -0.12 -0.39 1 60 TYR -3.03 -0.57 1 61 ARG -5.55 -1.93 1 63 ARG -2.94 -0.43 1 64 TYR -3.98 0.06 1 65 GLN -4.07 -1.11 1 66 ILE -3.16 -1.25 1 67 SER -5.02 -1.82 1 68 VAL -3.17 -0.98 1 71 GLN -1.21 -0.59 1 73 TYR 1.26 0.25 1 74 GLN -3.54 -0.92 1 75 GLN -3.73 -0.68 1 76 ALA -3.81 -2.01 1 77 VAL -0.79 -1.06 1 78 THR -0.77 -0.04 1 79 VAL -2.58 -0.82 1 80 LYS -4.97 -2.08 1 81 LEU -1.73 -0.87 1 82 LEU 0.35 1.10 1 84 LEU -4.61 -0.96 1 85 GLU -7.95 -2.31 1 86 GLN -2.73 -0.87 1 87 ALA 2.29 0.54 1 89 LYS -2.26 -1.42 1 91 VAL -2.52 -0.43 1 92 ALA -2.61 -1.28 1 93 ASP -1.17 0.02 1 94 ALA 3.53 3.18 1 95 ALA 4.17 2.96 1 97 MET 4.56 3.18 1 98 GLN 3.31 2.61 1 99 ARG 4.74 3.44 1 100 TYR 6.31 5.37 1 101 SER 6.46 4.70 1 102 THR 6.99 5.39 1 103 GLU 3.98 2.93 1 104 MET 1.27 1.28 1 105 MET 2.94 3.27 1 106 ASN 3.88 2.30 1 107 VAL 5.36 4.48 1 108 ILE 5.24 4.20 1 109 SER 4.34 3.44 1 110 ALA 3.17 2.23 1 112 LEU 1.76 1.09 1 113 ASP 1.52 1.43 1 114 LYS 1.83 1.29 1 115 SER 1.68 1.42 1 116 ALA 1.21 1.11 1 117 THR 1.90 1.57 1 118 ASP 1.47 1.22 1 119 ALA 1.53 1.22 1 120 ALA 1.63 1.20 1 121 ASN 0.95 0.79 1 122 ALA 1.25 1.04 1 123 ALA 1.11 0.84 1 124 GLN 1.00 0.75 1 125 ASN 0.63 0.53 1 126 ARG 0.58 0.45 1 127 ALA 0.04 0.21 1 128 SER 0.05 0.16 1 129 THR 0.08 -0.06 1 130 THR 0.22 0.29 1 131 MET -0.93 -0.42 1 132 ASP -0.95 0.43 1 133 VAL -3.12 -1.33 1 134 GLN -6.09 -1.78 1 135 SER -0.78 -0.66 1 136 ALA -5.09 -0.99 1 137 ALA -4.34 -1.81 1 138 ASP -1.78 -1.45 1 139 ASP 3.52 2.81 1 140 THR -0.18 -0.58 1 142 LEU 1.02 -0.36 1 144 MET -2.60 0.17 1 145 LEU -3.89 -1.51 1 146 VAL -2.60 -0.98 1 147 VAL -3.53 -2.34 1 148 ARG 2.89 0.32 1 151 PHE 4.21 4.57 1 152 ASN 4.86 3.68 1 153 VAL 3.13 2.96 1 154 VAL 7.14 5.81 1 155 TRP 4.51 3.70 1 156 GLN 3.01 2.64 1 157 ARG 0.42 0.69 1 158 LEU 7.89 6.88 1 160 ALA 2.46 2.09 1 161 ALA 3.36 2.68 1 162 LEU 4.84 2.27 1 163 GLU 3.33 2.80 1 164 LYS 2.34 1.84 1 165 VAL -1.19 -2.88 1 167 MET -1.46 -0.06 1 168 LYS -2.85 -1.60 1 169 VAL 1.29 0.73 1 170 THR 1.20 0.50 1 171 ASP -2.63 0.12 1 172 SER -2.12 0.02 1 173 THR -1.38 -1.00 1 174 ARG 5.12 4.10 1 175 SER 4.27 2.56 1 176 GLN -2.25 -0.87 1 178 ASN -4.70 -0.54 1 179 MET -3.87 0.13 1 180 ALA -2.47 -0.95 1 181 VAL -7.27 -3.89 1 182 THR -1.22 0.46 1 183 TYR -5.12 -2.25 1 184 LYS -3.15 -1.22 1 186 LEU 0.55 -1.11 1 187 SER -1.77 -0.79 1 188 ASP 4.95 4.47 1 189 SER 4.61 3.17 1 190 ASP 3.69 3.08 1 191 TRP 3.70 3.26 1 192 GLN 4.65 3.39 1 193 GLU 2.78 2.31 1 194 LEU 1.81 1.76 1 196 ALA -5.33 -2.01 1 197 SER -1.50 -0.92 1 198 ASP -1.40 -0.83 1 201 LEU -1.82 -0.53 1 202 ALA -1.01 -0.67 1 203 SER 0.78 0.94 1 205 ASP 0.50 0.12 1 206 TYR -4.88 -0.89 1 207 LYS -2.85 -1.18 1 208 LEU -3.58 -1.75 1 209 GLN -2.99 -1.64 1 210 VAL -1.60 -1.76 1 212 ASP -0.44 -0.43 1 213 LEU -0.65 -1.29 1 214 ASP 6.11 3.89 1 215 ASN 1.74 0.57 1 216 ARG -3.91 -1.44 1 217 SER -3.55 -0.21 1 218 SER -5.75 -2.60 1 219 LEU -3.49 -1.36 1 220 GLN -5.14 -0.28 1 221 PHE -2.47 0.39 1 222 ILE -2.12 -0.88 1 225 LYS -0.36 -1.17 1 227 HIS -2.45 -1.19 1 228 THR 0.54 0.22 1 229 LEU 1.53 0.36 1 230 THR -1.65 -0.63 1 231 GLN 4.98 4.16 1 232 SER 4.91 3.47 1 233 GLN 2.44 3.00 1 234 ASN 2.03 4.79 1 235 ASP 4.56 3.16 1 236 ALA 2.14 1.94 1 237 LEU 0.35 0.48 1 238 VAL 7.15 5.52 1 239 ALA 2.78 2.35 1 240 VAL 4.63 3.81 1 241 PHE 6.63 5.55 1 242 GLN 4.99 4.04 1 243 ALA 3.26 2.38 1 244 ALA 3.38 3.21 1 245 PHE 2.53 1.99 1 246 SER 2.26 3.25 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17521_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.95 _LACS_plot.Line_1_terminator_val_y_1 5.23 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.25 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.45 _LACS_plot.Line_2_terminator_val_x_2 7.88 _LACS_plot.Line_2_terminator_val_y_2 -1.73 _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 30 LYS 0.73 -2.94 0 83 ASN -5.20 5.86 0 32 TYR -1.28 -2.32 0 10 LEU -1.34 0.31 1 11 VAL -2.77 1.54 1 12 GLU -0.10 0.46 1 13 ASN 0.38 0.30 1 15 ARG 0.60 -0.49 1 17 ASN 1.44 -0.61 1 18 THR 0.00 -0.31 1 19 LEU 2.29 0.21 1 20 TRP 7.53 -1.41 1 22 GLN 4.11 -0.58 1 23 VAL 7.05 -1.73 1 24 VAL 7.02 -1.75 1 25 SER 4.55 -0.91 1 26 VAL 5.39 -1.42 1 27 LEU 4.12 -1.35 1 28 GLN 4.19 -1.01 1 29 ALA 3.20 -1.18 1 31 ASN 3.05 -1.97 1 33 THR 2.00 -0.53 1 34 ILE -0.77 0.51 1 35 THR 2.14 -1.07 1 36 GLN -1.72 1.76 1 37 ARG -2.70 3.19 1 38 ASP -2.60 0.37 1 39 ASP 3.47 -0.27 1 40 ALA 3.31 -1.05 1 42 GLN 2.64 -2.73 1 43 THR -3.02 1.64 1 44 LEU -3.32 2.57 1 45 THR -2.81 1.92 1 46 THR -2.89 1.97 1 47 ASP -2.81 1.07 1 48 TRP -0.10 1.17 1 49 VAL -1.66 1.38 1 50 GLN -1.59 0.83 1 51 TRP -3.41 1.88 1 52 ASN -0.85 1.41 1 53 ARG -2.44 2.28 1 54 LEU 1.69 -0.37 1 55 ASP 0.97 -1.18 1 56 GLU -2.20 1.16 1 57 ASP 1.00 0.39 1 58 GLU -2.45 1.52 1 59 GLN -0.12 -0.27 1 60 TYR -3.03 2.46 1 61 ARG -5.55 3.62 1 63 ARG -2.94 2.51 1 64 TYR -3.98 4.04 1 65 GLN -4.07 2.96 1 66 ILE -3.16 1.91 1 67 SER -5.02 3.20 1 68 VAL -3.17 2.19 1 71 GLN -1.21 0.62 1 73 TYR 1.26 -1.01 1 74 GLN -3.54 2.62 1 75 GLN -3.73 3.05 1 76 ALA -3.81 1.80 1 77 VAL -0.79 -0.27 1 78 THR -0.77 0.73 1 79 VAL -2.58 1.76 1 80 LYS -4.97 2.89 1 81 LEU -1.73 0.86 1 82 LEU 0.35 0.75 1 84 LEU -4.61 3.65 1 85 GLU -7.95 5.64 1 86 GLN -2.73 1.86 1 87 ALA 2.29 -1.75 1 89 LYS -2.26 0.84 1 91 VAL -2.52 2.09 1 92 ALA -2.61 1.33 1 93 ASP -1.17 1.19 1 94 ALA 3.53 -0.35 1 95 ALA 4.17 -1.21 1 97 MET 4.56 -1.38 1 98 GLN 3.31 -0.70 1 99 ARG 4.74 -1.30 1 100 TYR 6.31 -0.94 1 101 SER 6.46 -1.76 1 102 THR 6.99 -1.60 1 103 GLU 3.98 -1.05 1 104 MET 1.27 0.01 1 105 MET 2.94 0.33 1 106 ASN 3.88 -1.58 1 107 VAL 5.36 -0.88 1 108 ILE 5.24 -1.04 1 109 SER 4.34 -0.90 1 110 ALA 3.17 -0.94 1 112 LEU 1.76 -0.67 1 113 ASP 1.52 -0.09 1 114 LYS 1.83 -0.54 1 115 SER 1.68 -0.26 1 116 ALA 1.21 -0.10 1 117 THR 1.90 -0.33 1 118 ASP 1.47 -0.25 1 119 ALA 1.53 -0.31 1 120 ALA 1.63 -0.43 1 121 ASN 0.95 -0.16 1 122 ALA 1.25 -0.21 1 123 ALA 1.11 -0.27 1 124 GLN 1.00 -0.25 1 125 ASN 0.63 -0.10 1 126 ARG 0.58 -0.13 1 127 ALA 0.04 0.17 1 128 SER 0.05 0.11 1 129 THR 0.08 -0.14 1 130 THR 0.22 0.07 1 131 MET -0.93 0.51 1 132 ASP -0.95 1.38 1 133 VAL -3.12 1.79 1 134 GLN -6.09 4.31 1 135 SER -0.78 0.12 1 136 ALA -5.09 4.10 1 137 ALA -4.34 2.53 1 138 ASP -1.78 0.33 1 139 ASP 3.52 -0.71 1 140 THR -0.18 -0.40 1 142 LEU 1.02 -1.38 1 144 MET -2.60 2.77 1 145 LEU -3.89 2.38 1 146 VAL -2.60 1.62 1 147 VAL -3.53 1.19 1 148 ARG 2.89 -2.57 1 151 PHE 4.21 0.36 1 152 ASN 4.86 -1.18 1 153 VAL 3.13 -0.17 1 154 VAL 7.14 -1.33 1 155 TRP 4.51 -0.81 1 156 GLN 3.01 -0.37 1 157 ARG 0.42 0.27 1 158 LEU 7.89 -1.01 1 160 ALA 2.46 -0.37 1 161 ALA 3.36 -0.68 1 162 LEU 4.84 -2.57 1 163 GLU 3.33 -0.53 1 164 LYS 2.34 -0.50 1 165 VAL -1.19 -1.69 1 167 MET -1.46 1.40 1 168 LYS -2.85 1.25 1 169 VAL 1.29 -0.56 1 170 THR 1.20 -0.70 1 171 ASP -2.63 2.75 1 172 SER -2.12 2.14 1 173 THR -1.38 0.38 1 174 ARG 5.12 -1.02 1 175 SER 4.27 -1.71 1 176 GLN -2.25 1.38 1 178 ASN -4.70 4.16 1 179 MET -3.87 4.00 1 180 ALA -2.47 1.52 1 181 VAL -7.27 3.38 1 182 THR -1.22 1.68 1 183 TYR -5.12 2.87 1 184 LYS -3.15 1.93 1 186 LEU 0.55 -1.66 1 187 SER -1.77 0.98 1 188 ASP 4.95 -0.48 1 189 SER 4.61 -1.44 1 190 ASP 3.69 -0.61 1 191 TRP 3.70 -0.44 1 192 GLN 4.65 -1.26 1 193 GLU 2.78 -0.47 1 194 LEU 1.81 -0.05 1 196 ALA -5.33 3.32 1 197 SER -1.50 0.58 1 198 ASP -1.40 0.57 1 201 LEU -1.82 1.29 1 202 ALA -1.01 0.34 1 203 SER 0.78 0.16 1 205 ASP 0.50 -0.38 1 206 TYR -4.88 3.99 1 207 LYS -2.85 1.67 1 208 LEU -3.58 1.83 1 209 GLN -2.99 1.35 1 210 VAL -1.60 -0.16 1 212 ASP -0.44 0.01 1 213 LEU -0.65 -0.64 1 214 ASP 6.11 -2.22 1 215 ASN 1.74 -1.17 1 216 ARG -3.91 2.47 1 217 SER -3.55 3.34 1 218 SER -5.75 3.15 1 219 LEU -3.49 2.13 1 220 GLN -5.14 4.86 1 221 PHE -2.47 2.86 1 222 ILE -2.12 1.24 1 225 LYS -0.36 -0.81 1 227 HIS -2.45 1.26 1 228 THR 0.54 -0.32 1 229 LEU 1.53 -1.17 1 230 THR -1.65 1.02 1 231 GLN 4.98 -0.82 1 232 SER 4.91 -1.44 1 233 GLN 2.44 0.56 1 234 ASN 2.03 2.76 1 235 ASP 4.56 -1.40 1 236 ALA 2.14 -0.20 1 237 LEU 0.35 0.13 1 238 VAL 7.15 -1.63 1 239 ALA 2.78 -0.43 1 240 VAL 4.63 -0.82 1 241 PHE 6.63 -1.08 1 242 GLN 4.99 -0.95 1 243 ALA 3.26 -0.88 1 244 ALA 3.38 -0.17 1 245 PHE 2.53 -0.54 1 246 SER 2.26 0.99 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17521_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.95 _LACS_plot.Line_1_terminator_val_y_1 1.10 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.12 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.37 _LACS_plot.Line_2_terminator_val_x_2 7.88 _LACS_plot.Line_2_terminator_val_y_2 -0.83 _LACS_plot.Y_axis_chem_shift_offset -0.13 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 42 GLN 2.64 -2.77 0 198 ASP -1.40 -2.44 0 10 LEU -1.34 0.66 1 11 VAL -2.77 0.20 1 12 GLU -0.10 0.03 1 13 ASN 0.38 -0.03 1 15 ARG 0.60 0.04 1 17 ASN 1.44 0.08 1 18 THR 0.00 0.11 1 19 LEU 2.29 -0.04 1 20 TRP 7.53 -0.28 1 22 GLN 4.11 -0.32 1 23 VAL 7.05 -0.91 1 24 VAL 7.02 -1.26 1 25 SER 4.55 -0.29 1 26 VAL 5.39 -0.47 1 27 LEU 4.12 -0.48 1 28 GLN 4.19 -0.19 1 29 ALA 3.20 -0.21 1 30 LYS 0.73 -0.33 1 31 ASN 3.05 -0.47 1 32 TYR -1.28 0.41 1 33 THR 2.00 -0.18 1 34 ILE -0.77 0.16 1 35 THR 2.14 -0.06 1 36 GLN -1.72 0.19 1 37 ARG -2.70 0.37 1 38 ASP -2.60 0.31 1 39 ASP 3.47 -0.01 1 40 ALA 3.31 -0.18 1 43 THR -3.02 1.02 1 44 LEU -3.32 0.90 1 45 THR -2.81 1.25 1 46 THR -2.89 0.85 1 47 ASP -2.81 -0.08 1 48 TRP -0.10 -0.43 1 49 VAL -1.66 -0.25 1 50 GLN -1.59 0.09 1 51 TRP -3.41 0.45 1 52 ASN -0.85 0.30 1 53 ARG -2.44 0.29 1 54 LEU 1.69 -0.04 1 55 ASP 0.97 -0.14 1 56 GLU -2.20 0.34 1 57 ASP 1.00 -0.03 1 58 GLU -2.45 0.09 1 59 GLN -0.12 0.16 1 60 TYR -3.03 0.81 1 61 ARG -5.55 1.47 1 63 ARG -2.94 -0.03 1 64 TYR -3.98 0.90 1 65 GLN -4.07 1.31 1 66 ILE -3.16 1.22 1 67 SER -5.02 1.52 1 68 VAL -3.17 1.22 1 71 GLN -1.21 0.08 1 73 TYR 1.26 0.15 1 74 GLN -3.54 0.44 1 75 GLN -3.73 0.33 1 76 ALA -3.81 1.01 1 77 VAL -0.79 0.79 1 78 THR -0.77 0.65 1 79 VAL -2.58 0.41 1 80 LYS -4.97 1.03 1 81 LEU -1.73 -0.19 1 82 LEU 0.35 -0.30 1 83 ASN -5.20 0.09 1 84 LEU -4.61 1.10 1 85 GLU -7.95 0.86 1 86 GLN -2.73 -0.09 1 87 ALA 2.29 -0.41 1 89 LYS -2.26 0.26 1 91 VAL -2.52 0.23 1 92 ALA -2.61 0.54 1 93 ASP -1.17 -0.05 1 94 ALA 3.53 -0.26 1 95 ALA 4.17 -0.19 1 97 MET 4.56 -0.41 1 98 GLN 3.31 -0.08 1 99 ARG 4.74 -0.57 1 100 TYR 6.31 -0.56 1 101 SER 6.46 0.05 1 102 THR 6.99 -0.72 1 103 GLU 3.98 -0.65 1 104 MET 1.27 0.25 1 105 MET 2.94 -0.36 1 106 ASN 3.88 -0.25 1 107 VAL 5.36 -0.35 1 108 ILE 5.24 -0.52 1 109 SER 4.34 -0.58 1 110 ALA 3.17 -0.09 1 112 LEU 1.76 -0.15 1 113 ASP 1.52 -0.12 1 114 LYS 1.83 -0.06 1 115 SER 1.68 -0.12 1 116 ALA 1.21 0.02 1 117 THR 1.90 -0.12 1 118 ASP 1.47 -0.10 1 119 ALA 1.53 -0.10 1 120 ALA 1.63 -0.09 1 121 ASN 0.95 -0.11 1 122 ALA 1.25 -0.07 1 123 ALA 1.11 -0.08 1 124 GLN 1.00 -0.08 1 125 ASN 0.63 -0.05 1 126 ARG 0.58 -0.01 1 127 ALA 0.04 0.05 1 128 SER 0.05 0.05 1 129 THR 0.08 0.13 1 130 THR 0.22 -0.01 1 131 MET -0.93 -0.11 1 132 ASP -0.95 0.15 1 133 VAL -3.12 0.95 1 134 GLN -6.09 0.51 1 135 SER -0.78 0.31 1 136 ALA -5.09 0.31 1 137 ALA -4.34 0.81 1 138 ASP -1.78 -0.08 1 139 ASP 3.52 -0.23 1 140 THR -0.18 0.19 1 142 LEU 1.02 0.05 1 144 MET -2.60 0.49 1 145 LEU -3.89 0.90 1 146 VAL -2.60 0.67 1 147 VAL -3.53 0.66 1 148 ARG 2.89 -0.03 1 151 PHE 4.21 -0.41 1 152 ASN 4.86 -0.52 1 153 VAL 3.13 -0.32 1 154 VAL 7.14 -1.05 1 155 TRP 4.51 -0.98 1 156 GLN 3.01 -0.31 1 157 ARG 0.42 -0.09 1 158 LEU 7.89 -0.68 1 160 ALA 2.46 -0.13 1 161 ALA 3.36 -0.47 1 162 LEU 4.84 -0.51 1 163 GLU 3.33 -0.41 1 164 LYS 2.34 -0.33 1 165 VAL -1.19 0.11 1 167 MET -1.46 0.59 1 168 LYS -2.85 0.07 1 169 VAL 1.29 0.34 1 170 THR 1.20 0.08 1 171 ASP -2.63 0.21 1 172 SER -2.12 0.77 1 173 THR -1.38 0.40 1 174 ARG 5.12 -1.38 1 175 SER 4.27 -0.48 1 176 GLN -2.25 0.18 1 178 ASN -4.70 1.17 1 179 MET -3.87 0.48 1 180 ALA -2.47 0.65 1 181 VAL -7.27 1.49 1 182 THR -1.22 0.84 1 183 TYR -5.12 0.96 1 184 LYS -3.15 -0.21 1 186 LEU 0.55 -0.33 1 187 SER -1.77 0.03 1 188 ASP 4.95 0.04 1 189 SER 4.61 -0.27 1 190 ASP 3.69 -0.15 1 191 TRP 3.70 -0.08 1 192 GLN 4.65 -0.19 1 193 GLU 2.78 -0.32 1 194 LEU 1.81 -0.26 1 196 ALA -5.33 0.35 1 197 SER -1.50 -0.27 1 201 LEU -1.82 0.00 1 202 ALA -1.01 0.16 1 203 SER 0.78 -0.04 1 205 ASP 0.50 0.94 1 206 TYR -4.88 0.38 1 207 LYS -2.85 0.76 1 208 LEU -3.58 0.37 1 209 GLN -2.99 0.72 1 210 VAL -1.60 1.26 1 212 ASP -0.44 0.24 1 213 LEU -0.65 0.41 1 214 ASP 6.11 -0.41 1 215 ASN 1.74 -0.24 1 216 ARG -3.91 0.54 1 217 SER -3.55 1.20 1 218 SER -5.75 1.17 1 219 LEU -3.49 0.63 1 220 GLN -5.14 0.65 1 221 PHE -2.47 0.68 1 222 ILE -2.12 0.30 1 225 LYS -0.36 0.01 1 227 HIS -2.45 0.35 1 228 THR 0.54 0.53 1 229 LEU 1.53 0.13 1 230 THR -1.65 -0.04 1 231 GLN 4.98 -0.56 1 232 SER 4.91 -0.25 1 233 GLN 2.44 -0.27 1 234 ASN 2.03 -0.66 1 235 ASP 4.56 -0.22 1 236 ALA 2.14 -0.12 1 237 LEU 0.35 -0.20 1 238 VAL 7.15 -0.66 1 239 ALA 2.78 -0.06 1 240 VAL 4.63 -0.70 1 241 PHE 6.63 -0.55 1 242 GLN 4.99 -0.16 1 243 ALA 3.26 -0.07 1 244 ALA 3.38 -0.53 1 245 PHE 2.53 -0.04 1 246 SER 2.26 -0.20 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17521_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.95 _LACS_plot.Line_1_terminator_val_y_1 -3.40 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.95 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.82 _LACS_plot.Line_2_terminator_val_x_2 7.88 _LACS_plot.Line_2_terminator_val_y_2 3.18 _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 42 GLN 2.64 -3.65 0 158 LEU 7.89 -1.06 0 20 TRP 7.53 -1.39 0 10 LEU -1.34 -1.01 1 11 VAL -2.77 -0.86 1 12 GLU -0.10 -0.34 1 13 ASN 0.38 0.85 1 15 ARG 0.60 1.06 1 17 ASN 1.44 0.77 1 18 THR 0.00 0.57 1 19 LEU 2.29 0.19 1 22 GLN 4.11 2.52 1 23 VAL 7.05 0.75 1 24 VAL 7.02 1.69 1 25 SER 4.55 2.71 1 26 VAL 5.39 1.39 1 27 LEU 4.12 1.71 1 28 GLN 4.19 4.54 1 29 ALA 3.20 1.58 1 30 LYS 0.73 -1.23 1 31 ASN 3.05 -0.25 1 32 TYR -1.28 -0.21 1 33 THR 2.00 -1.22 1 34 ILE -0.77 0.03 1 35 THR 2.14 0.09 1 36 GLN -1.72 -2.66 1 37 ARG -2.70 -3.24 1 38 ASP -2.60 -0.18 1 39 ASP 3.47 1.52 1 40 ALA 3.31 1.94 1 43 THR -3.02 -2.90 1 44 LEU -3.32 -2.57 1 45 THR -2.81 -0.23 1 46 THR -2.89 0.61 1 47 ASP -2.81 0.01 1 48 TRP -0.10 0.49 1 49 VAL -1.66 -1.54 1 50 GLN -1.59 -0.91 1 51 TRP -3.41 -0.54 1 52 ASN -0.85 -0.32 1 53 ARG -2.44 0.88 1 54 LEU 1.69 -0.27 1 55 ASP 0.97 -0.41 1 56 GLU -2.20 -0.62 1 57 ASP 1.00 0.21 1 58 GLU -2.45 -1.06 1 59 GLN -0.12 -0.01 1 60 TYR -3.03 -0.19 1 61 ARG -5.55 -1.41 1 63 ARG -2.94 -1.30 1 64 TYR -3.98 -2.06 1 65 GLN -4.07 -0.43 1 66 ILE -3.16 -2.20 1 67 SER -5.02 -1.41 1 68 VAL -3.17 -0.98 1 71 GLN -1.21 -0.73 1 73 TYR 1.26 -0.76 1 74 GLN -3.54 -1.14 1 75 GLN -3.73 -2.59 1 76 ALA -3.81 -0.67 1 77 VAL -0.79 -0.77 1 78 THR -0.77 -1.44 1 79 VAL -2.58 -3.25 1 80 LYS -4.97 -1.11 1 81 LEU -1.73 -3.21 1 82 LEU 0.35 -0.28 1 83 ASN -5.20 -3.74 1 84 LEU -4.61 -3.16 1 85 GLU -7.95 -2.17 1 86 GLN -2.73 -0.63 1 87 ALA 2.29 -0.75 1 89 LYS -2.26 -1.21 1 91 VAL -2.52 -1.29 1 92 ALA -2.61 -1.27 1 93 ASP -1.17 -0.34 1 94 ALA 3.53 1.99 1 95 ALA 4.17 3.74 1 97 MET 4.56 1.91 1 98 GLN 3.31 2.95 1 99 ARG 4.74 2.60 1 100 TYR 6.31 3.74 1 101 SER 6.46 1.40 1 102 THR 6.99 1.13 1 103 GLU 3.98 1.86 1 104 MET 1.27 1.04 1 105 MET 2.94 1.39 1 106 ASN 3.88 3.37 1 107 VAL 5.36 2.58 1 108 ILE 5.24 0.96 1 109 SER 4.34 2.57 1 110 ALA 3.17 2.67 1 112 LEU 1.76 0.74 1 113 ASP 1.52 1.08 1 114 LYS 1.83 0.82 1 115 SER 1.68 0.88 1 116 ALA 1.21 1.17 1 117 THR 1.90 0.49 1 118 ASP 1.47 1.05 1 119 ALA 1.53 1.04 1 120 ALA 1.63 0.92 1 121 ASN 0.95 0.73 1 122 ALA 1.25 0.55 1 123 ALA 1.11 0.68 1 124 GLN 1.00 0.23 1 125 ASN 0.63 0.24 1 126 ARG 0.58 -0.09 1 127 ALA 0.04 0.05 1 128 SER 0.05 0.31 1 129 THR 0.08 -0.09 1 130 THR 0.22 -0.32 1 131 MET -0.93 -2.18 1 132 ASP -0.95 -1.16 1 133 VAL -3.12 -2.04 1 134 GLN -6.09 -1.59 1 135 SER -0.78 -0.63 1 136 ALA -5.09 -3.00 1 137 ALA -4.34 -0.91 1 138 ASP -1.78 1.71 1 139 ASP 3.52 1.20 1 140 THR -0.18 -0.01 1 144 MET -2.60 -2.37 1 145 LEU -3.89 -1.10 1 146 VAL -2.60 -1.62 1 147 VAL -3.53 0.35 1 148 ARG 2.89 -2.18 1 151 PHE 4.21 0.61 1 152 ASN 4.86 2.63 1 153 VAL 3.13 1.01 1 154 VAL 7.14 0.81 1 155 TRP 4.51 1.87 1 156 GLN 3.01 2.18 1 157 ARG 0.42 1.38 1 160 ALA 2.46 2.23 1 161 ALA 3.36 0.96 1 162 LEU 4.84 1.87 1 163 GLU 3.33 3.21 1 164 LYS 2.34 -0.29 1 165 VAL -1.19 -3.00 1 167 MET -1.46 -2.82 1 168 LYS -2.85 -0.54 1 169 VAL 1.29 1.11 1 170 THR 1.20 -0.04 1 171 ASP -2.63 -2.11 1 172 SER -2.12 -1.14 1 173 THR -1.38 0.48 1 174 ARG 5.12 2.49 1 175 SER 4.27 0.36 1 176 GLN -2.25 -0.19 1 178 ASN -4.70 -0.89 1 179 MET -3.87 -3.09 1 180 ALA -2.47 -1.54 1 181 VAL -7.27 -1.02 1 182 THR -1.22 -0.91 1 183 TYR -5.12 -1.30 1 184 LYS -3.15 -3.04 1 186 LEU 0.55 -1.27 1 187 SER -1.77 0.06 1 188 ASP 4.95 2.94 1 189 SER 4.61 2.10 1 190 ASP 3.69 3.92 1 191 TRP 3.70 2.91 1 192 GLN 4.65 3.38 1 193 GLU 2.78 1.58 1 194 LEU 1.81 -0.83 1 196 ALA -5.33 -3.59 1 197 SER -1.50 -2.44 1 198 ASP -1.40 1.28 1 201 LEU -1.82 -0.16 1 202 ALA -1.01 1.23 1 203 SER 0.78 -1.02 1 205 ASP 0.50 -1.01 1 206 TYR -4.88 0.20 1 207 LYS -2.85 -2.56 1 208 LEU -3.58 -3.59 1 209 GLN -2.99 -0.52 1 210 VAL -1.60 -0.50 1 212 ASP -0.44 -0.50 1 213 LEU -0.65 0.51 1 214 ASP 6.11 -1.20 1 215 ASN 1.74 -1.84 1 216 ARG -3.91 -1.80 1 217 SER -3.55 -2.16 1 218 SER -5.75 -0.99 1 219 LEU -3.49 -2.25 1 220 GLN -5.14 -2.12 1 221 PHE -2.47 -0.83 1 222 ILE -2.12 -1.03 1 225 LYS -0.36 -0.14 1 227 HIS -2.45 1.09 1 228 THR 0.54 1.16 1 229 LEU 1.53 1.15 1 230 THR -1.65 0.41 1 231 GLN 4.98 1.76 1 232 SER 4.91 3.05 1 233 GLN 2.44 1.17 1 234 ASN 2.03 2.02 1 235 ASP 4.56 3.59 1 236 ALA 2.14 1.25 1 237 LEU 0.35 0.76 1 238 VAL 7.15 1.19 1 239 ALA 2.78 3.20 1 240 VAL 4.63 0.59 1 241 PHE 6.63 2.02 1 242 GLN 4.99 3.18 1 243 ALA 3.26 2.92 1 244 ALA 3.38 1.91 1 245 PHE 2.53 0.70 1 246 SER 2.26 1.02 1 stop_ save_