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 bmr34308_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.54 _LACS_plot.Line_1_terminator_val_y_1 -3.95 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.96 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.03 _LACS_plot.Line_2_terminator_val_x_2 9.48 _LACS_plot.Line_2_terminator_val_y_2 5.43 _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 107 HIS 6.28 6.77 0 225 PHE 8.53 0.75 0 11 ASN 1.30 -1.35 1 14 GLU 2.35 1.65 1 15 HIS -1.02 1.30 1 16 TRP -0.93 0.36 1 17 HIS 0.30 2.78 1 18 LYS 4.30 3.28 1 19 ASP -3.65 1.07 1 20 PHE 0.13 -0.99 1 22 ILE 0.83 0.83 1 23 ALA 1.02 1.28 1 24 LYS -0.13 -1.41 1 26 GLU -0.85 0.57 1 27 ARG -3.60 -2.47 1 28 GLN -3.06 -0.21 1 29 SER 0.23 0.99 1 31 VAL -4.55 -2.80 1 32 ASP -1.82 -0.74 1 33 ILE 6.99 0.23 1 34 ASP -2.31 -1.80 1 35 THR 3.84 3.84 1 36 HIS 2.57 3.21 1 37 THR -0.26 0.21 1 38 ALA 0.62 0.07 1 39 LYS -2.80 -1.18 1 40 TYR 0.16 -0.70 1 41 ASP -3.93 -3.07 1 43 SER 0.96 1.19 1 44 LEU 1.80 1.49 1 45 LYS 1.64 0.19 1 47 LEU 1.04 0.19 1 48 SER -1.38 -1.49 1 49 VAL -0.28 -0.88 1 50 SER -1.81 -2.21 1 51 TYR -4.88 -4.92 1 52 ASP 4.53 3.72 1 53 GLN 0.11 -1.09 1 54 ALA 0.77 1.15 1 55 THR -2.48 -0.83 1 56 SER 0.67 0.90 1 57 LEU -4.72 -0.32 1 58 ARG -4.42 -0.73 1 59 ILE -4.86 -3.13 1 60 LEU -4.15 -0.68 1 61 ASN -0.43 -0.51 1 62 ASN -1.05 -1.33 1 64 HIS -0.38 2.22 1 65 ALA -1.42 -0.18 1 66 PHE -5.09 -2.46 1 67 ASN -4.00 -2.68 1 68 VAL 1.86 -0.49 1 69 GLU -2.94 -1.03 1 70 PHE -4.47 -2.32 1 71 ASP 0.80 0.55 1 72 ASP -0.47 -1.13 1 73 SER 3.87 2.80 1 74 GLN -5.84 -2.09 1 76 LYS 0.70 1.82 1 77 ALA -0.80 -1.40 1 78 VAL -6.91 -3.66 1 79 LEU -5.63 -3.79 1 80 LYS -5.99 -1.54 1 84 LEU 1.01 -0.99 1 85 ASP -1.70 -1.05 1 87 THR -0.85 1.15 1 88 TYR -3.63 -2.41 1 89 ARG -1.99 -0.24 1 90 LEU 1.21 1.02 1 91 ILE 6.37 0.14 1 92 GLN -0.55 -0.60 1 93 PHE -7.37 -2.62 1 94 HIS -1.97 0.79 1 95 PHE -6.13 -1.91 1 96 HIS -3.29 -0.50 1 97 TRP 0.36 1.30 1 99 SER 0.90 0.38 1 100 LEU -4.04 -0.59 1 101 ASP 3.76 3.02 1 103 GLN -4.31 -2.36 1 105 SER 1.33 0.02 1 106 GLU 3.02 3.27 1 108 THR -4.37 -2.40 1 109 VAL -1.31 -0.96 1 110 ASP 4.04 2.36 1 111 LYS 4.82 2.12 1 112 LYS 1.72 0.67 1 113 LYS -0.17 -1.04 1 114 TYR -0.50 -0.15 1 115 ALA 1.61 1.42 1 116 ALA 0.67 -0.95 1 117 GLU -6.81 -0.45 1 118 LEU -3.02 -1.36 1 119 HIS -7.15 -2.73 1 120 LEU 1.70 1.12 1 121 VAL 2.55 2.00 1 122 HIS -4.93 -0.91 1 123 TRP -7.78 -3.51 1 124 ASN -0.14 0.52 1 125 THR 3.16 2.47 1 126 LYS 3.10 2.23 1 127 TYR -0.53 -0.65 1 129 ASP -3.77 -1.38 1 130 PHE -1.74 -1.99 1 132 LYS 1.82 1.90 1 133 ALA 3.55 3.27 1 134 VAL 3.88 1.23 1 135 GLN -0.36 -0.54 1 136 GLN -1.78 -1.73 1 138 ASP -0.65 -2.56 1 140 LEU -6.47 -2.09 1 141 ALA -4.44 -1.31 1 142 VAL -0.87 -2.22 1 143 LEU -3.10 -1.48 1 145 ILE -1.78 -1.73 1 146 PHE -2.72 -0.93 1 147 LEU -0.82 -0.67 1 148 LYS -2.32 -3.05 1 149 VAL 2.65 0.60 1 152 ALA 0.59 0.07 1 153 LYS -3.41 -4.49 1 156 LEU -5.99 -4.84 1 157 GLN 5.36 3.81 1 158 LYS 3.48 2.33 1 159 VAL 4.18 2.73 1 160 VAL 6.18 3.83 1 161 ASP 2.82 2.67 1 162 VAL -1.75 -0.88 1 163 LEU 6.21 3.26 1 164 ASP 3.53 2.72 1 165 SER 1.56 2.01 1 166 ILE -0.49 -2.09 1 167 LYS 4.45 4.60 1 168 THR -3.87 -3.20 1 169 LYS 3.55 1.90 1 171 LYS -0.78 0.11 1 172 SER -5.60 -1.63 1 173 ALA -4.38 -1.29 1 174 ASP 4.20 1.85 1 175 PHE -0.03 0.02 1 176 THR -2.01 -1.27 1 177 ASN 2.92 1.51 1 178 PHE -0.30 0.75 1 179 ASP -3.10 -2.41 1 181 ARG 9.48 3.65 1 183 LEU -0.11 -1.16 1 184 LEU -0.17 0.62 1 186 GLU 1.94 2.14 1 187 SER -2.30 -1.49 1 188 LEU 5.81 1.04 1 189 ASP 2.81 1.76 1 190 TYR -4.30 -0.84 1 191 TRP 1.58 0.47 1 192 THR -4.47 -3.17 1 193 TYR 0.26 0.51 1 196 SER -8.41 -1.05 1 197 LEU 0.12 0.28 1 199 THR -4.03 -3.27 1 202 LEU 7.83 1.88 1 203 LEU 2.07 1.26 1 204 GLU 1.59 -0.78 1 206 VAL -2.35 -0.19 1 207 THR 2.84 1.73 1 208 TRP -0.40 1.57 1 209 ILE -0.61 0.14 1 210 VAL -0.94 -0.79 1 211 LEU 3.26 -0.59 1 212 LYS 1.67 1.60 1 213 GLU -1.80 -0.55 1 215 ILE -1.13 -0.90 1 216 SER -2.83 -1.21 1 217 VAL -4.62 -3.24 1 218 SER -3.84 -1.85 1 219 SER 3.98 3.88 1 220 GLU 4.07 3.32 1 221 GLN 5.52 4.17 1 222 VAL 3.87 2.61 1 223 LEU 4.94 2.94 1 224 LYS 2.70 2.16 1 226 ARG 2.69 1.14 1 227 LYS -0.97 -0.96 1 228 LEU -0.81 0.14 1 229 ASN -4.33 -1.11 1 230 PHE -1.07 1.56 1 231 ASN -2.37 0.19 1 233 GLU -1.60 1.75 1 237 GLU 0.73 1.48 1 238 GLU -3.79 -1.14 1 239 LEU 2.37 1.22 1 240 MET -3.91 -4.29 1 241 VAL -5.66 -2.96 1 242 ASP 4.82 2.25 1 243 ASN 0.50 -2.29 1 244 TRP -8.54 -6.39 1 245 ARG -3.26 -1.21 1 247 ALA 1.21 1.22 1 248 GLN -1.28 -1.93 1 250 LEU 0.44 -0.11 1 251 LYS 5.90 1.55 1 252 ASN 1.61 0.87 1 253 ARG -1.38 0.09 1 254 GLN -3.57 -1.26 1 255 ILE 2.56 0.28 1 256 LYS -4.86 -1.56 1 257 ALA -2.84 -3.02 1 258 SER 0.28 0.66 1 259 PHE -8.26 -6.11 1 260 LYS 0.01 1.08 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr34308_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.54 _LACS_plot.Line_1_terminator_val_y_1 4.59 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.04 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.97 _LACS_plot.Line_2_terminator_val_x_2 9.48 _LACS_plot.Line_2_terminator_val_y_2 -4.05 _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 107 HIS 6.28 0.49 0 225 PHE 8.53 -7.78 0 11 ASN 1.30 -2.65 1 14 GLU 2.35 -0.70 1 15 HIS -1.02 2.32 1 16 TRP -0.93 1.29 1 17 HIS 0.30 2.48 1 18 LYS 4.30 -1.02 1 19 ASP -3.65 4.72 1 20 PHE 0.13 -1.12 1 22 ILE 0.83 0.00 1 23 ALA 1.02 0.26 1 24 LYS -0.13 -1.28 1 26 GLU -0.85 1.42 1 27 ARG -3.60 1.13 1 28 GLN -3.06 2.85 1 29 SER 0.23 0.76 1 31 VAL -4.55 1.75 1 32 ASP -1.82 1.08 1 33 ILE 6.99 -6.76 1 34 ASP -2.31 0.51 1 35 THR 3.84 0.00 1 36 HIS 2.57 0.64 1 37 THR -0.26 0.47 1 38 ALA 0.62 -0.55 1 39 LYS -2.80 1.62 1 40 TYR 0.16 -0.86 1 41 ASP -3.93 0.86 1 43 SER 0.96 0.23 1 44 LEU 1.80 -0.31 1 45 LYS 1.64 -1.45 1 47 LEU 1.04 -0.85 1 48 SER -1.38 -0.11 1 49 VAL -0.28 -0.60 1 50 SER -1.81 -0.40 1 51 TYR -4.88 -0.04 1 52 ASP 4.53 -0.81 1 53 GLN 0.11 -1.20 1 54 ALA 0.77 0.38 1 55 THR -2.48 1.65 1 56 SER 0.67 0.23 1 57 LEU -4.72 4.40 1 58 ARG -4.42 3.69 1 59 ILE -4.86 1.73 1 60 LEU -4.15 3.47 1 61 ASN -0.43 -0.08 1 62 ASN -1.05 -0.28 1 64 HIS -0.38 2.60 1 65 ALA -1.42 1.24 1 66 PHE -5.09 2.63 1 67 ASN -4.00 1.32 1 68 VAL 1.86 -2.35 1 69 GLU -2.94 1.91 1 70 PHE -4.47 2.15 1 71 ASP 0.80 -0.25 1 72 ASP -0.47 -0.66 1 73 SER 3.87 -1.07 1 74 GLN -5.84 3.75 1 76 LYS 0.70 1.12 1 77 ALA -0.80 -0.60 1 78 VAL -6.91 3.25 1 79 LEU -5.63 1.84 1 80 LYS -5.99 4.45 1 84 LEU 1.01 -2.00 1 85 ASP -1.70 0.65 1 87 THR -0.85 2.00 1 88 TYR -3.63 1.22 1 89 ARG -1.99 1.75 1 90 LEU 1.21 -0.19 1 91 ILE 6.37 -6.23 1 92 GLN -0.55 -0.05 1 93 PHE -7.37 4.75 1 94 HIS -1.97 2.76 1 95 PHE -6.13 4.22 1 96 HIS -3.29 2.79 1 97 TRP 0.36 0.94 1 99 SER 0.90 -0.52 1 100 LEU -4.04 3.45 1 101 ASP 3.76 -0.74 1 103 GLN -4.31 1.95 1 105 SER 1.33 -1.31 1 106 GLU 3.02 0.25 1 108 THR -4.37 1.97 1 109 VAL -1.31 0.35 1 110 ASP 4.04 -1.68 1 111 LYS 4.82 -2.70 1 112 LYS 1.72 -1.05 1 113 LYS -0.17 -0.87 1 114 TYR -0.50 0.35 1 115 ALA 1.61 -0.19 1 116 ALA 0.67 -1.62 1 117 GLU -6.81 6.36 1 118 LEU -3.02 1.66 1 119 HIS -7.15 4.42 1 120 LEU 1.70 -0.58 1 121 VAL 2.55 -0.55 1 122 HIS -4.93 4.02 1 123 TRP -7.78 4.27 1 124 ASN -0.14 0.66 1 125 THR 3.16 -0.69 1 126 LYS 3.10 -0.87 1 127 TYR -0.53 -0.12 1 129 ASP -3.77 2.39 1 130 PHE -1.74 -0.25 1 132 LYS 1.82 0.08 1 133 ALA 3.55 -0.28 1 134 VAL 3.88 -2.65 1 135 GLN -0.36 -0.18 1 136 GLN -1.78 0.05 1 138 ASP -0.65 -1.91 1 140 LEU -6.47 4.38 1 141 ALA -4.44 3.13 1 142 VAL -0.87 -1.35 1 143 LEU -3.10 1.62 1 145 ILE -1.78 0.05 1 146 PHE -2.72 1.79 1 147 LEU -0.82 0.15 1 148 LYS -2.32 -0.73 1 149 VAL 2.65 -2.05 1 152 ALA 0.59 -0.52 1 153 LYS -3.41 -1.08 1 156 LEU -5.99 1.15 1 157 GLN 5.36 -1.55 1 158 LYS 3.48 -1.15 1 159 VAL 4.18 -1.45 1 160 VAL 6.18 -2.35 1 161 ASP 2.82 -0.15 1 162 VAL -1.75 0.87 1 163 LEU 6.21 -2.95 1 164 ASP 3.53 -0.81 1 165 SER 1.56 0.45 1 166 ILE -0.49 -1.60 1 167 LYS 4.45 0.15 1 168 THR -3.87 0.67 1 169 LYS 3.55 -1.65 1 171 LYS -0.78 0.89 1 172 SER -5.60 3.97 1 173 ALA -4.38 3.09 1 174 ASP 4.20 -2.35 1 175 PHE -0.03 0.05 1 176 THR -2.01 0.74 1 177 ASN 2.92 -1.41 1 178 PHE -0.30 1.05 1 179 ASP -3.10 0.69 1 181 ARG 9.48 -5.83 1 183 LEU -0.11 -1.05 1 184 LEU -0.17 0.79 1 186 GLU 1.94 0.20 1 187 SER -2.30 0.81 1 188 LEU 5.81 -4.77 1 189 ASP 2.81 -1.05 1 190 TYR -4.30 3.46 1 191 TRP 1.58 -1.11 1 192 THR -4.47 1.30 1 193 TYR 0.26 0.25 1 196 SER -8.41 7.36 1 197 LEU 0.12 0.16 1 199 THR -4.03 0.76 1 202 LEU 7.83 -5.95 1 203 LEU 2.07 -0.81 1 204 GLU 1.59 -2.37 1 206 VAL -2.35 2.16 1 207 THR 2.84 -1.11 1 208 TRP -0.40 1.97 1 209 ILE -0.61 0.75 1 210 VAL -0.94 0.15 1 211 LEU 3.26 -3.85 1 212 LYS 1.67 -0.07 1 213 GLU -1.80 1.25 1 215 ILE -1.13 0.23 1 216 SER -2.83 1.62 1 217 VAL -4.62 1.38 1 218 SER -3.84 1.99 1 219 SER 3.98 -0.10 1 220 GLU 4.07 -0.75 1 221 GLN 5.52 -1.35 1 222 VAL 3.87 -1.26 1 223 LEU 4.94 -2.00 1 224 LYS 2.70 -0.54 1 226 ARG 2.69 -1.55 1 227 LYS -0.97 0.01 1 228 LEU -0.81 0.95 1 229 ASN -4.33 3.22 1 230 PHE -1.07 2.63 1 231 ASN -2.37 2.56 1 233 GLU -1.60 3.35 1 237 GLU 0.73 0.75 1 238 GLU -3.79 2.65 1 239 LEU 2.37 -1.15 1 240 MET -3.91 -0.38 1 241 VAL -5.66 2.70 1 242 ASP 4.82 -2.57 1 243 ASN 0.50 -2.79 1 244 TRP -8.54 2.15 1 245 ARG -3.26 2.05 1 247 ALA 1.21 0.01 1 248 GLN -1.28 -0.65 1 250 LEU 0.44 -0.55 1 251 LYS 5.90 -4.35 1 252 ASN 1.61 -0.74 1 253 ARG -1.38 1.47 1 254 GLN -3.57 2.31 1 255 ILE 2.56 -2.28 1 256 LYS -4.86 3.30 1 257 ALA -2.84 -0.18 1 258 SER 0.28 0.38 1 259 PHE -8.26 2.15 1 260 LYS 0.01 1.07 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr34308_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -8.54 _LACS_plot.Line_1_terminator_val_y_1 0.95 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.03 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.32 _LACS_plot.Line_2_terminator_val_x_2 9.48 _LACS_plot.Line_2_terminator_val_y_2 -0.70 _LACS_plot.Y_axis_chem_shift_offset -0.15 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 91 ILE 6.37 1.04 0 243 ASN 0.50 -1.58 0 130 PHE -1.74 -1.42 0 129 ASP -3.77 -1.26 0 14 GLU 2.35 0.51 1 15 HIS -1.02 0.15 1 16 TRP -0.93 0.14 1 17 HIS 0.30 -0.06 1 18 LYS 4.30 -0.57 1 19 ASP -3.65 -0.07 1 20 PHE 0.13 0.05 1 22 ILE 0.83 -0.01 1 23 ALA 1.02 0.10 1 24 LYS -0.13 0.27 1 26 GLU -0.85 -0.15 1 27 ARG -3.60 0.30 1 28 GLN -3.06 0.23 1 29 SER 0.23 -0.03 1 31 VAL -4.55 0.35 1 32 ASP -1.82 0.16 1 33 ILE 6.99 -0.71 1 34 ASP -2.31 0.48 1 35 THR 3.84 -0.36 1 36 HIS 2.57 0.09 1 37 THR -0.26 0.12 1 38 ALA 0.62 0.34 1 39 LYS -2.80 0.35 1 40 TYR 0.16 0.25 1 41 ASP -3.93 0.13 1 43 SER 0.96 -0.14 1 44 LEU 1.80 -0.29 1 45 LYS 1.64 0.07 1 47 LEU 1.04 -0.09 1 48 SER -1.38 0.20 1 49 VAL -0.28 -0.14 1 50 SER -1.81 0.48 1 51 TYR -4.88 0.25 1 52 ASP 4.53 -0.33 1 53 GLN 0.11 0.33 1 54 ALA 0.77 -0.24 1 55 THR -2.48 0.45 1 56 SER 0.67 -0.96 1 57 LEU -4.72 0.91 1 58 ARG -4.42 0.92 1 59 ILE -4.86 1.56 1 60 LEU -4.15 0.85 1 61 ASN -0.43 -0.28 1 62 ASN -1.05 -0.29 1 64 HIS -0.38 0.76 1 65 ALA -1.42 0.67 1 66 PHE -5.09 0.39 1 67 ASN -4.00 0.03 1 68 VAL 1.86 0.71 1 69 GLU -2.94 0.62 1 70 PHE -4.47 0.35 1 71 ASP 0.80 0.26 1 72 ASP -0.47 0.40 1 73 SER 3.87 0.32 1 74 GLN -5.84 0.27 1 76 LYS 0.70 -0.03 1 77 ALA -0.80 1.35 1 78 VAL -6.91 1.49 1 79 LEU -5.63 0.58 1 80 LYS -5.99 0.43 1 84 LEU 1.01 -0.05 1 85 ASP -1.70 -0.06 1 87 THR -0.85 0.23 1 88 TYR -3.63 0.79 1 89 ARG -1.99 0.41 1 90 LEU 1.21 -0.20 1 92 GLN -0.55 0.74 1 93 PHE -7.37 1.13 1 94 HIS -1.97 0.20 1 95 PHE -6.13 1.42 1 96 HIS -3.29 0.02 1 97 TRP 0.36 0.86 1 99 SER 0.90 -0.10 1 100 LEU -4.04 0.35 1 101 ASP 3.76 -0.30 1 103 GLN -4.31 0.08 1 105 SER 1.33 -0.05 1 106 GLU 3.02 0.11 1 107 HIS 6.28 -0.46 1 108 THR -4.37 0.44 1 109 VAL -1.31 0.61 1 110 ASP 4.04 0.15 1 111 LYS 4.82 -1.01 1 112 LYS 1.72 -0.12 1 113 LYS -0.17 -0.11 1 114 TYR -0.50 0.12 1 115 ALA 1.61 -0.01 1 116 ALA 0.67 0.76 1 117 GLU -6.81 1.08 1 118 LEU -3.02 0.15 1 119 HIS -7.15 1.05 1 120 LEU 1.70 0.43 1 121 VAL 2.55 -0.02 1 122 HIS -4.93 1.53 1 123 TRP -7.78 1.51 1 124 ASN -0.14 0.16 1 125 THR 3.16 -0.06 1 126 LYS 3.10 -0.27 1 127 TYR -0.53 0.44 1 132 LYS 1.82 -0.12 1 133 ALA 3.55 -0.46 1 134 VAL 3.88 -0.04 1 135 GLN -0.36 -0.05 1 136 GLN -1.78 0.23 1 138 ASP -0.65 0.52 1 140 LEU -6.47 1.72 1 141 ALA -4.44 0.78 1 142 VAL -0.87 0.76 1 143 LEU -3.10 1.15 1 145 ILE -1.78 0.67 1 146 PHE -2.72 0.18 1 147 LEU -0.82 1.13 1 148 LYS -2.32 0.94 1 149 VAL 2.65 0.65 1 152 ALA 0.59 -0.14 1 153 LYS -3.41 0.89 1 156 LEU -5.99 0.43 1 157 GLN 5.36 -0.49 1 158 LYS 3.48 0.01 1 159 VAL 4.18 -0.62 1 160 VAL 6.18 -0.68 1 161 ASP 2.82 -0.11 1 162 VAL -1.75 0.59 1 163 LEU 6.21 -0.64 1 164 ASP 3.53 -0.26 1 165 SER 1.56 0.08 1 166 ILE -0.49 0.65 1 167 LYS 4.45 -0.29 1 168 THR -3.87 0.40 1 169 LYS 3.55 -0.75 1 171 LYS -0.78 0.32 1 172 SER -5.60 0.98 1 173 ALA -4.38 0.48 1 174 ASP 4.20 -0.04 1 175 PHE -0.03 -0.02 1 176 THR -2.01 0.11 1 177 ASN 2.92 -0.27 1 178 PHE -0.30 -0.15 1 179 ASP -3.10 0.26 1 181 ARG 9.48 0.00 1 183 LEU -0.11 0.04 1 184 LEU -0.17 -0.04 1 186 GLU 1.94 -0.27 1 187 SER -2.30 0.11 1 188 LEU 5.81 0.35 1 189 ASP 2.81 -0.30 1 190 TYR -4.30 1.05 1 191 TRP 1.58 1.40 1 192 THR -4.47 1.76 1 193 TYR 0.26 0.61 1 196 SER -8.41 0.29 1 197 LEU 0.12 0.19 1 199 THR -4.03 0.74 1 202 LEU 7.83 -0.61 1 203 LEU 2.07 -0.26 1 204 GLU 1.59 0.12 1 206 VAL -2.35 0.17 1 207 THR 2.84 -0.06 1 208 TRP -0.40 -0.45 1 209 ILE -0.61 0.04 1 210 VAL -0.94 0.68 1 211 LEU 3.26 0.35 1 212 LYS 1.67 0.61 1 213 GLU -1.80 0.10 1 215 ILE -1.13 0.67 1 216 SER -2.83 1.11 1 217 VAL -4.62 0.78 1 218 SER -3.84 0.69 1 219 SER 3.98 0.69 1 220 GLU 4.07 -0.34 1 221 GLN 5.52 -0.46 1 222 VAL 3.87 -0.24 1 223 LEU 4.94 -0.44 1 224 LYS 2.70 -0.44 1 225 PHE 8.53 -0.83 1 226 ARG 2.69 0.11 1 227 LYS -0.97 0.15 1 228 LEU -0.81 -0.01 1 229 ASN -4.33 0.65 1 230 PHE -1.07 0.04 1 231 ASN -2.37 0.06 1 233 GLU -1.60 0.33 1 237 GLU 0.73 -0.37 1 238 GLU -3.79 0.40 1 239 LEU 2.37 0.08 1 240 MET -3.91 -0.03 1 241 VAL -5.66 -0.05 1 242 ASP 4.82 -0.03 1 244 TRP -8.54 0.75 1 245 ARG -3.26 -0.01 1 247 ALA 1.21 -0.70 1 248 GLN -1.28 -0.10 1 250 LEU 0.44 -0.31 1 251 LYS 5.90 -0.44 1 252 ASN 1.61 0.23 1 253 ARG -1.38 0.26 1 254 GLN -3.57 0.33 1 255 ILE 2.56 0.50 1 256 LYS -4.86 1.17 1 257 ALA -2.84 0.93 1 258 SER 0.28 -0.26 1 259 PHE -8.26 0.31 1 260 LYS 0.01 -0.67 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr34308_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -8.54 _LACS_plot.Line_1_terminator_val_y_1 -1.81 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.05 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.60 _LACS_plot.Line_2_terminator_val_x_2 9.48 _LACS_plot.Line_2_terminator_val_y_2 0.97 _LACS_plot.Y_axis_chem_shift_offset 0.32 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 202 LEU 7.83 -3.66 0 196 SER -8.41 3.45 0 84 LEU 1.01 -6.65 0 11 ASN 1.30 1.25 1 14 GLU 2.35 -0.05 1 15 HIS -1.02 4.08 1 16 TRP -0.93 1.25 1 17 HIS 0.30 1.15 1 18 LYS 4.30 -2.15 1 19 ASP -3.65 -1.05 1 20 PHE 0.13 0.35 1 22 ILE 0.83 -1.84 1 23 ALA 1.02 1.85 1 24 LYS -0.13 -0.15 1 26 GLU -0.85 -0.05 1 27 ARG -3.60 -0.85 1 28 GLN -3.06 -0.01 1 29 SER 0.23 4.97 1 31 VAL -4.55 -2.45 1 32 ASP -1.82 -1.35 1 33 ILE 6.99 -3.35 1 34 ASP -2.31 1.85 1 35 THR 3.84 2.46 1 36 HIS 2.57 2.85 1 37 THR -0.26 0.65 1 38 ALA 0.62 -1.25 1 39 LYS -2.80 0.25 1 40 TYR 0.16 -0.85 1 41 ASP -3.93 -0.37 1 43 SER 0.96 0.95 1 44 LEU 1.80 -0.25 1 45 LYS 1.64 0.10 1 47 LEU 1.04 -1.65 1 48 SER -1.38 -1.95 1 49 VAL -0.28 -0.55 1 50 SER -1.81 0.25 1 51 TYR -4.88 -3.16 1 52 ASP 4.53 0.45 1 53 GLN 0.11 -0.75 1 54 ALA 0.77 0.35 1 55 THR -2.48 -1.35 1 56 SER 0.67 -0.85 1 57 LEU -4.72 0.55 1 58 ARG -4.42 -4.45 1 59 ILE -4.86 -3.75 1 60 LEU -4.15 -2.85 1 61 ASN -0.43 1.45 1 62 ASN -1.05 1.65 1 64 HIS -0.38 -1.05 1 65 ALA -1.42 -2.25 1 66 PHE -5.09 -1.75 1 67 ASN -4.00 -0.05 1 68 VAL 1.86 -0.95 1 69 GLU -2.94 -0.35 1 70 PHE -4.47 -0.75 1 71 ASP 0.80 0.15 1 72 ASP -0.47 -0.05 1 73 SER 3.87 -0.25 1 74 GLN -5.84 -0.35 1 76 LYS 0.70 -1.15 1 77 ALA -0.80 -2.65 1 78 VAL -6.91 -3.35 1 79 LEU -5.63 -3.15 1 80 LYS -5.99 -1.75 1 85 ASP -1.70 -0.35 1 87 THR -0.85 -1.85 1 88 TYR -3.63 -0.35 1 89 ARG -1.99 -0.05 1 90 LEU 1.21 -2.75 1 91 ILE 6.37 -3.05 1 92 GLN -0.55 -0.85 1 93 PHE -7.37 -3.25 1 94 HIS -1.97 3.95 1 95 PHE -6.13 0.70 1 96 HIS -3.29 0.45 1 97 TRP 0.36 -0.55 1 99 SER 0.90 -1.05 1 100 LEU -4.04 0.05 1 101 ASP 3.76 0.15 1 103 GLN -4.31 -4.45 1 105 SER 1.33 -1.75 1 106 GLU 3.02 1.25 1 107 HIS 6.28 -0.35 1 108 THR -4.37 -1.15 1 109 VAL -1.31 0.85 1 110 ASP 4.04 0.15 1 111 LYS 4.82 -0.65 1 112 LYS 1.72 -1.65 1 113 LYS -0.17 0.05 1 114 TYR -0.50 -2.25 1 115 ALA 1.61 0.25 1 116 ALA 0.67 -2.25 1 117 GLU -6.81 -3.55 1 118 LEU -3.02 -3.24 1 119 HIS -7.15 -0.05 1 120 LEU 1.70 -2.55 1 121 VAL 2.55 -2.45 1 122 HIS -4.93 0.85 1 123 TRP -7.78 -1.75 1 124 ASN -0.14 1.85 1 125 THR 3.16 2.25 1 126 LYS 3.10 0.95 1 127 TYR -0.53 1.25 1 129 ASP -3.77 -2.05 1 130 PHE -1.74 -0.45 1 132 LYS 1.82 3.25 1 133 ALA 3.55 1.65 1 134 VAL 3.88 -1.85 1 135 GLN -0.36 -0.75 1 136 GLN -1.78 1.19 1 138 ASP -0.65 1.95 1 140 LEU -6.47 -0.25 1 141 ALA -4.44 -1.15 1 142 VAL -0.87 -3.05 1 143 LEU -3.10 -1.95 1 145 ILE -1.78 -1.05 1 146 PHE -2.72 -0.85 1 147 LEU -0.82 -2.35 1 148 LYS -2.32 -1.85 1 149 VAL 2.65 1.75 1 152 ALA 0.59 -0.15 1 153 LYS -3.41 -1.05 1 156 LEU -5.99 0.65 1 157 GLN 5.36 0.65 1 158 LYS 3.48 2.95 1 159 VAL 4.18 0.15 1 160 VAL 6.18 2.15 1 161 ASP 2.82 1.25 1 162 VAL -1.75 1.25 1 163 LEU 6.21 1.15 1 164 ASP 3.53 1.85 1 165 SER 1.56 0.15 1 166 ILE -0.49 -1.85 1 167 LYS 4.45 -0.75 1 168 THR -3.87 -0.45 1 169 LYS 3.55 1.15 1 171 LYS -0.78 -1.55 1 172 SER -5.60 -1.55 1 173 ALA -4.38 -1.45 1 174 ASP 4.20 -0.35 1 175 PHE -0.03 -2.25 1 176 THR -2.01 -0.05 1 177 ASN 2.92 -0.85 1 178 PHE -0.30 -1.15 1 181 ARG 9.48 2.95 1 183 LEU -0.11 -4.25 1 184 LEU -0.17 0.24 1 186 GLU 1.94 0.55 1 187 SER -2.30 1.25 1 188 LEU 5.81 -0.95 1 189 ASP 2.81 0.75 1 190 TYR -4.30 -3.25 1 191 TRP 1.58 1.15 1 192 THR -4.47 -3.75 1 193 TYR 0.26 0.73 1 197 LEU 0.12 -2.14 1 199 THR -4.03 1.25 1 203 LEU 2.07 1.15 1 204 GLU 1.59 -0.35 1 206 VAL -2.35 0.35 1 207 THR 2.84 -1.55 1 208 TRP -0.40 0.75 1 209 ILE -0.61 -2.85 1 210 VAL -0.94 -0.65 1 211 LEU 3.26 -0.75 1 212 LYS 1.67 0.45 1 215 ILE -1.13 -1.75 1 216 SER -2.83 -1.65 1 217 VAL -4.62 -1.45 1 218 SER -3.84 2.35 1 219 SER 3.98 2.45 1 220 GLU 4.07 1.95 1 221 GLN 5.52 0.45 1 222 VAL 3.87 1.35 1 223 LEU 4.94 1.75 1 224 LYS 2.70 3.05 1 225 PHE 8.53 0.15 1 226 ARG 2.69 -1.05 1 227 LYS -0.97 1.35 1 228 LEU -0.81 -1.35 1 229 ASN -4.33 -0.55 1 230 PHE -1.07 0.95 1 231 ASN -2.37 0.65 1 233 GLU -1.60 1.15 1 237 GLU 0.73 0.25 1 238 GLU -3.79 -1.25 1 239 LEU 2.37 -2.01 1 240 MET -3.91 -0.12 1 241 VAL -5.66 1.85 1 242 ASP 4.82 -1.35 1 243 ASN 0.50 -1.95 1 244 TRP -8.54 -2.95 1 245 ARG -3.26 1.76 1 247 ALA 1.21 -0.65 1 248 GLN -1.28 1.54 1 250 LEU 0.44 1.25 1 251 LYS 5.90 0.65 1 252 ASN 1.61 -0.05 1 253 ARG -1.38 -1.75 1 254 GLN -3.57 -1.15 1 255 ILE 2.56 -0.15 1 256 LYS -4.86 -1.35 1 257 ALA -2.84 -1.25 1 258 SER 0.28 -2.35 1 259 PHE -8.26 -4.55 1 stop_ save_