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 bmr6399_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -5.99 _LACS_plot.Line_1_terminator_val_y_1 -3.74 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.72 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -2.02 _LACS_plot.Line_2_terminator_val_x_2 8.54 _LACS_plot.Line_2_terminator_val_y_2 5.59 _LACS_plot.Y_axis_chem_shift_offset 0.49 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 187 LEU -5.27 -3.07 0 25 LYS 5.40 -0.47 0 181 VAL -5.99 -4.23 0 84 MET 5.84 -0.39 0 10 GLU 3.00 2.24 1 11 ALA 3.74 2.71 1 12 ILE 5.72 3.22 1 13 SER 4.63 3.53 1 14 LEU 3.53 2.57 1 15 TRP 0.59 1.01 1 16 ASN 3.32 3.38 1 17 GLU 3.93 2.46 1 19 VAL 6.35 3.69 1 20 LEU 4.70 2.36 1 21 ALA 5.58 1.99 1 22 ALA 3.98 2.29 1 23 ASP 4.36 2.61 1 24 LYS 0.82 -1.10 1 26 ASP -0.55 -3.82 1 27 TRP -0.64 -0.35 1 28 LYS 3.94 2.13 1 30 ALA 2.39 2.14 1 31 LEU 4.43 2.82 1 32 ASP 4.68 2.82 1 33 ALA 5.05 2.22 1 34 PHE 0.27 -0.07 1 35 SER 3.50 2.62 1 36 ALA -0.08 -0.71 1 37 VAL 2.78 1.11 1 38 GLN 1.45 0.58 1 39 ASP 2.05 0.76 1 41 HIS -3.18 -1.75 1 43 ARG 5.28 3.18 1 44 ILE 6.36 2.77 1 46 PHE 4.79 3.21 1 47 ASN 5.30 2.21 1 48 ILE 6.86 5.25 1 52 TYR 6.04 4.06 1 53 THR 7.21 5.31 1 54 ILE 3.76 2.43 1 55 LEU 1.81 -0.25 1 56 LYS 6.19 0.80 1 57 ASN -0.35 -2.61 1 58 MET 4.11 1.40 1 59 THR 5.69 3.64 1 60 GLU 6.26 0.77 1 61 ALA 3.92 3.00 1 62 GLU 5.10 3.43 1 63 LYS 4.50 3.08 1 64 ALA 4.85 2.39 1 65 PHE 4.73 2.81 1 66 THR 7.20 5.00 1 67 ARG 5.10 3.70 1 68 SER 4.51 4.24 1 69 ILE 2.92 2.47 1 70 ASN 3.17 2.02 1 71 ARG 2.03 0.49 1 72 ASP 0.89 -0.29 1 73 LYS 2.71 0.96 1 74 HIS -0.92 -1.72 1 75 LEU 3.15 -1.18 1 76 ALA 4.82 3.74 1 77 VAL 1.91 0.31 1 78 ALA 4.48 3.07 1 79 TYR 5.55 3.78 1 80 PHE 3.57 3.45 1 81 GLN 2.01 0.94 1 82 ARG 5.98 3.83 1 85 LEU 5.41 2.48 1 86 TYR 5.15 1.34 1 87 TYR 4.76 2.36 1 88 GLN 4.13 2.68 1 89 THR 0.02 -1.56 1 90 GLU 5.09 0.41 1 91 LYS 0.53 -3.13 1 92 TYR 4.50 2.58 1 93 ASP 5.33 3.23 1 94 LEU 5.73 1.89 1 95 ALA 3.94 3.08 1 96 ILE 6.66 5.42 1 97 LYS 5.01 3.56 1 98 ASP 4.77 2.93 1 99 LEU 3.69 2.82 1 100 LYS 5.37 3.84 1 101 GLU 3.11 1.26 1 102 ALA 5.34 3.03 1 103 LEU 3.56 2.33 1 104 ILE 5.67 3.14 1 105 GLN 4.19 0.35 1 106 LEU 4.10 1.83 1 107 ARG 4.32 0.27 1 109 ASN -0.30 -0.09 1 110 GLN 3.04 2.01 1 111 LEU -1.57 -0.94 1 112 ILE -1.13 0.43 1 113 ASP -1.65 -2.33 1 114 TYR 3.95 4.03 1 115 LYS 6.91 4.52 1 116 ILE 3.60 1.72 1 117 LEU -1.63 -0.64 1 119 LEU -3.76 -2.34 1 120 GLN 2.33 -1.53 1 121 PHE -2.00 0.46 1 122 LYS -2.10 -1.78 1 123 LEU -3.96 -3.20 1 124 PHE -1.86 -1.11 1 125 ALA 4.38 3.10 1 127 GLU 4.33 2.28 1 128 VAL 8.55 5.79 1 129 LEU 3.39 3.37 1 130 TYR 3.39 2.84 1 131 ASN 3.80 1.88 1 132 ILE 7.33 5.80 1 133 ALA 2.70 2.55 1 134 PHE 5.02 2.72 1 135 MET 3.32 0.69 1 136 TYR 7.32 4.44 1 137 ALA 4.58 2.11 1 138 LYS 4.74 -0.25 1 139 LYS 2.00 -0.15 1 140 GLU 4.76 0.45 1 141 GLU 0.19 -3.05 1 142 TRP 2.51 2.05 1 143 LYS 5.04 2.12 1 144 LYS 5.07 2.03 1 145 ALA 4.21 2.92 1 146 GLU 4.02 3.04 1 147 GLU 2.99 2.24 1 148 GLN 3.27 1.55 1 149 LEU 3.30 1.96 1 150 ALA 4.70 2.29 1 151 LEU 3.58 1.99 1 152 ALA 3.63 2.30 1 153 THR 5.13 3.88 1 154 SER 1.78 1.53 1 155 MET -1.62 -0.61 1 156 LYS 4.04 3.68 1 160 ARG 3.05 0.88 1 161 HIS -0.37 0.64 1 162 SER 4.42 2.78 1 163 LYS 5.32 2.15 1 164 ILE 6.00 3.93 1 165 ASP 4.18 2.41 1 166 LYS 3.82 1.44 1 167 ALA 4.84 2.39 1 168 MET 4.20 2.59 1 169 GLU 3.55 2.04 1 171 VAL 6.26 4.05 1 172 TRP 2.02 0.83 1 173 LYS -0.32 -1.40 1 174 GLN 5.86 0.37 1 175 LYS -4.09 -2.69 1 176 LEU -1.54 -1.50 1 177 TYR -3.38 -3.88 1 178 GLU -1.38 -0.84 1 180 VAL 2.55 1.35 1 182 ILE 3.41 1.10 1 184 VAL 3.52 1.54 1 186 LYS 2.48 -0.70 1 188 PHE 2.34 2.24 1 189 ARG -0.87 -0.54 1 191 ASN -0.41 -0.49 1 192 GLU 3.70 2.48 1 193 ARG 4.26 2.08 1 194 GLN 3.61 2.22 1 195 VAL 4.72 2.79 1 196 ALA 3.00 1.42 1 197 GLN 2.29 1.07 1 198 LEU 1.97 0.24 1 199 ALA 0.67 -0.19 1 200 LYS 1.11 -0.17 1 201 LYS 0.96 -0.16 1 202 ASP 0.43 -0.20 1 203 TYR 0.84 -0.06 1 204 LEU 1.04 -0.22 1 206 LYS 0.10 -0.59 1 207 ALA 0.26 -0.32 1 208 THR 0.35 0.86 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6399_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -5.99 _LACS_plot.Line_1_terminator_val_y_1 2.25 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.28 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.02 _LACS_plot.Line_2_terminator_val_x_2 8.54 _LACS_plot.Line_2_terminator_val_y_2 -2.95 _LACS_plot.Y_axis_chem_shift_offset 0.49 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 187 LEU -5.27 2.20 0 25 LYS 5.40 -5.87 0 181 VAL -5.99 1.76 0 84 MET 5.84 -6.23 0 10 GLU 3.00 -0.76 1 11 ALA 3.74 -1.03 1 12 ILE 5.72 -2.50 1 13 SER 4.63 -1.10 1 14 LEU 3.53 -0.96 1 15 TRP 0.59 0.42 1 16 ASN 3.32 0.06 1 17 GLU 3.93 -1.47 1 19 VAL 6.35 -2.66 1 20 LEU 4.70 -2.34 1 21 ALA 5.58 -3.59 1 22 ALA 3.98 -1.69 1 23 ASP 4.36 -1.75 1 24 LYS 0.82 -1.92 1 26 ASP -0.55 -3.27 1 27 TRP -0.64 0.29 1 28 LYS 3.94 -1.81 1 30 ALA 2.39 -0.25 1 31 LEU 4.43 -1.61 1 32 ASP 4.68 -1.86 1 33 ALA 5.05 -2.83 1 34 PHE 0.27 -0.34 1 35 SER 3.50 -0.88 1 36 ALA -0.08 -0.63 1 37 VAL 2.78 -1.67 1 38 GLN 1.45 -0.87 1 39 ASP 2.05 -1.29 1 41 HIS -3.18 1.43 1 43 ARG 5.28 -2.10 1 44 ILE 6.36 -3.59 1 46 PHE 4.79 -1.58 1 47 ASN 5.30 -3.09 1 48 ILE 6.86 -1.61 1 52 TYR 6.04 -1.98 1 53 THR 7.21 -1.90 1 54 ILE 3.76 -1.33 1 55 LEU 1.81 -2.06 1 56 LYS 6.19 -5.39 1 57 ASN -0.35 -2.26 1 58 MET 4.11 -2.71 1 59 THR 5.69 -2.05 1 60 GLU 6.26 -5.49 1 61 ALA 3.92 -0.92 1 62 GLU 5.10 -1.67 1 63 LYS 4.50 -1.42 1 64 ALA 4.85 -2.46 1 65 PHE 4.73 -1.92 1 66 THR 7.20 -2.20 1 67 ARG 5.10 -1.40 1 68 SER 4.51 -0.27 1 69 ILE 2.92 -0.45 1 70 ASN 3.17 -1.15 1 71 ARG 2.03 -1.54 1 72 ASP 0.89 -1.18 1 73 LYS 2.71 -1.75 1 74 HIS -0.92 -0.80 1 75 LEU 3.15 -4.33 1 76 ALA 4.82 -1.08 1 77 VAL 1.91 -1.60 1 78 ALA 4.48 -1.41 1 79 TYR 5.55 -1.77 1 80 PHE 3.57 -0.12 1 81 GLN 2.01 -1.07 1 82 ARG 5.98 -2.15 1 85 LEU 5.41 -2.93 1 86 TYR 5.15 -3.81 1 87 TYR 4.76 -2.40 1 88 GLN 4.13 -1.45 1 89 THR 0.02 -1.58 1 90 GLU 5.09 -4.68 1 91 LYS 0.53 -3.66 1 92 TYR 4.50 -1.92 1 93 ASP 5.33 -2.10 1 94 LEU 5.73 -3.84 1 95 ALA 3.94 -0.86 1 96 ILE 6.66 -1.24 1 97 LYS 5.01 -1.45 1 98 ASP 4.77 -1.84 1 99 LEU 3.69 -0.87 1 100 LYS 5.37 -1.53 1 101 GLU 3.11 -1.85 1 102 ALA 5.34 -2.31 1 103 LEU 3.56 -1.23 1 104 ILE 5.67 -2.53 1 105 GLN 4.19 -3.84 1 106 LEU 4.10 -2.27 1 107 ARG 4.32 -4.05 1 109 ASN -0.30 0.21 1 110 GLN 3.04 -1.03 1 111 LEU -1.57 0.63 1 112 ILE -1.13 1.56 1 113 ASP -1.65 -0.68 1 114 TYR 3.95 0.08 1 115 LYS 6.91 -2.39 1 116 ILE 3.60 -1.88 1 117 LEU -1.63 0.99 1 119 LEU -3.76 1.42 1 120 GLN 2.33 -3.86 1 121 PHE -2.00 2.46 1 122 LYS -2.10 0.32 1 123 LEU -3.96 0.76 1 124 PHE -1.86 0.75 1 125 ALA 4.38 -1.28 1 127 GLU 4.33 -2.05 1 128 VAL 8.55 -2.76 1 129 LEU 3.39 -0.02 1 130 TYR 3.39 -0.55 1 131 ASN 3.80 -1.92 1 132 ILE 7.33 -1.53 1 133 ALA 2.70 -0.15 1 134 PHE 5.02 -2.30 1 135 MET 3.32 -2.63 1 136 TYR 7.32 -2.88 1 137 ALA 4.58 -2.47 1 138 LYS 4.74 -4.99 1 139 LYS 2.00 -2.15 1 140 GLU 4.76 -4.31 1 141 GLU 0.19 -3.24 1 142 TRP 2.51 -0.46 1 143 LYS 5.04 -2.92 1 144 LYS 5.07 -3.04 1 145 ALA 4.21 -1.29 1 146 GLU 4.02 -0.98 1 147 GLU 2.99 -0.75 1 148 GLN 3.27 -1.72 1 149 LEU 3.30 -1.34 1 150 ALA 4.70 -2.41 1 151 LEU 3.58 -1.59 1 152 ALA 3.63 -1.33 1 153 THR 5.13 -1.25 1 154 SER 1.78 -0.25 1 155 MET -1.62 1.01 1 156 LYS 4.04 -0.36 1 160 ARG 3.05 -2.17 1 161 HIS -0.37 1.01 1 162 SER 4.42 -1.64 1 163 LYS 5.32 -3.17 1 164 ILE 6.00 -2.07 1 165 ASP 4.18 -1.77 1 166 LYS 3.82 -2.38 1 167 ALA 4.84 -2.45 1 168 MET 4.20 -1.61 1 169 GLU 3.55 -1.51 1 171 VAL 6.26 -2.21 1 172 TRP 2.02 -1.19 1 173 LYS -0.32 -1.08 1 174 GLN 5.86 -5.49 1 175 LYS -4.09 1.40 1 176 LEU -1.54 0.04 1 177 TYR -3.38 -0.50 1 178 GLU -1.38 0.54 1 180 VAL 2.55 -1.20 1 182 ILE 3.41 -2.31 1 184 VAL 3.52 -1.98 1 186 LYS 2.48 -3.18 1 188 PHE 2.34 -0.10 1 189 ARG -0.87 0.33 1 191 ASN -0.41 -0.08 1 192 GLU 3.70 -1.22 1 193 ARG 4.26 -2.18 1 194 GLN 3.61 -1.39 1 195 VAL 4.72 -1.93 1 196 ALA 3.00 -1.58 1 197 GLN 2.29 -1.22 1 198 LEU 1.97 -1.73 1 199 ALA 0.67 -0.86 1 200 LYS 1.11 -1.28 1 201 LYS 0.96 -1.12 1 202 ASP 0.43 -0.63 1 203 TYR 0.84 -0.90 1 204 LEU 1.04 -1.26 1 206 LYS 0.10 -0.69 1 207 ALA 0.26 -0.58 1 208 THR 0.35 0.51 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6399_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -5.99 _LACS_plot.Line_1_terminator_val_y_1 -3.04 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.68 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.94 _LACS_plot.Line_2_terminator_val_x_2 8.54 _LACS_plot.Line_2_terminator_val_y_2 3.32 _LACS_plot.Y_axis_chem_shift_offset 0.19 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 187 LEU -5.27 -0.34 0 181 VAL -5.99 -0.25 0 41 HIS -3.18 3.14 0 10 GLU 3.00 1.93 1 11 ALA 3.74 2.35 1 12 ILE 5.72 1.64 1 13 SER 4.63 2.93 1 14 LEU 3.53 1.33 1 15 TRP 0.59 2.61 1 16 ASN 3.32 1.12 1 17 GLU 3.93 3.70 1 19 VAL 6.35 1.14 1 20 LEU 4.70 3.06 1 21 ALA 5.58 2.55 1 22 ALA 3.98 3.83 1 23 ASP 4.36 1.49 1 24 LYS 0.82 -0.92 1 25 LYS 5.40 -2.75 1 26 ASP -0.55 -0.36 1 27 TRP -0.64 2.64 1 28 LYS 3.94 1.45 1 30 ALA 2.39 -0.05 1 31 LEU 4.43 2.03 1 32 ASP 4.68 2.32 1 33 ALA 5.05 1.56 1 34 PHE 0.27 3.94 1 35 SER 3.50 -1.66 1 36 ALA -0.08 0.01 1 37 VAL 2.78 0.17 1 38 GLN 1.45 -0.74 1 43 ARG 5.28 1.47 1 44 ILE 6.36 1.69 1 46 PHE 4.79 0.88 1 47 ASN 5.30 2.40 1 48 ILE 6.86 1.11 1 52 TYR 6.04 1.88 1 53 THR 7.21 3.15 1 54 ILE 3.76 1.13 1 55 LEU 1.81 -2.05 1 56 LYS 6.19 -1.56 1 57 ASN -0.35 0.06 1 58 MET 4.11 3.59 1 59 THR 5.69 2.45 1 60 GLU 6.26 3.14 1 61 ALA 3.92 -0.28 1 62 GLU 5.10 2.46 1 63 LYS 4.50 2.29 1 64 ALA 4.85 2.22 1 65 PHE 4.73 2.55 1 66 THR 7.20 0.53 1 67 ARG 5.10 2.11 1 69 ILE 2.92 0.72 1 70 ASN 3.17 3.16 1 71 ARG 2.03 0.27 1 72 ASP 0.89 -2.19 1 73 LYS 2.71 1.47 1 74 HIS -0.92 0.91 1 75 LEU 3.15 -1.22 1 76 ALA 4.82 1.85 1 77 VAL 1.91 -0.78 1 78 ALA 4.48 0.83 1 80 PHE 3.57 -0.48 1 81 GLN 2.01 2.97 1 82 ARG 5.98 1.17 1 84 MET 5.84 3.79 1 85 LEU 5.41 2.32 1 86 TYR 5.15 3.70 1 87 TYR 4.76 2.12 1 88 GLN 4.13 1.15 1 89 THR 0.02 -1.86 1 90 GLU 5.09 -1.74 1 91 LYS 0.53 0.69 1 92 TYR 4.50 1.48 1 93 ASP 5.33 3.43 1 94 LEU 5.73 1.85 1 95 ALA 3.94 1.52 1 96 ILE 6.66 0.37 1 97 LYS 5.01 3.02 1 98 ASP 4.77 2.92 1 99 LEU 3.69 1.47 1 100 LYS 5.37 3.02 1 101 GLU 3.11 1.82 1 103 LEU 3.56 3.21 1 104 ILE 5.67 4.30 1 105 GLN 4.19 0.86 1 106 LEU 4.10 1.12 1 107 ARG 4.32 -0.28 1 109 ASN -0.30 0.20 1 110 GLN 3.04 0.48 1 111 LEU -1.57 -2.48 1 112 ILE -1.13 -3.00 1 113 ASP -1.65 1.14 1 114 TYR 3.95 1.99 1 115 LYS 6.91 4.16 1 116 ILE 3.60 0.33 1 117 LEU -1.63 -0.65 1 119 LEU -3.76 -2.99 1 120 GLN 2.33 -2.47 1 121 PHE -2.00 -3.49 1 122 LYS -2.10 -4.18 1 123 LEU -3.96 -3.61 1 124 PHE -1.86 1.70 1 125 ALA 4.38 1.89 1 127 GLU 4.33 1.29 1 128 VAL 8.55 2.73 1 129 LEU 3.39 0.50 1 130 TYR 3.39 1.89 1 131 ASN 3.80 2.59 1 132 ILE 7.33 1.36 1 133 ALA 2.70 0.02 1 134 PHE 5.02 0.02 1 135 MET 3.32 2.97 1 136 TYR 7.32 2.41 1 137 ALA 4.58 2.95 1 138 LYS 4.74 1.60 1 139 LYS 2.00 -1.84 1 140 GLU 4.76 -1.38 1 141 GLU 0.19 0.50 1 142 TRP 2.51 2.67 1 143 LYS 5.04 2.86 1 144 LYS 5.07 2.95 1 145 ALA 4.21 1.14 1 146 GLU 4.02 1.50 1 147 GLU 2.99 3.50 1 148 GLN 3.27 2.90 1 149 LEU 3.30 1.79 1 150 ALA 4.70 3.42 1 151 LEU 3.58 2.36 1 152 ALA 3.63 1.90 1 153 THR 5.13 1.39 1 154 SER 1.78 -0.31 1 155 MET -1.62 -0.92 1 156 LYS 4.04 2.16 1 160 ARG 3.05 1.15 1 161 HIS -0.37 1.96 1 162 SER 4.42 1.55 1 163 LYS 5.32 1.74 1 164 ILE 6.00 -0.14 1 165 ASP 4.18 2.79 1 166 LYS 3.82 2.27 1 167 ALA 4.84 1.01 1 168 MET 4.20 0.16 1 169 GLU 3.55 3.25 1 171 VAL 6.26 4.07 1 172 TRP 2.02 1.45 1 173 LYS -0.32 -1.97 1 174 GLN 5.86 -2.05 1 175 LYS -4.09 -2.21 1 176 LEU -1.54 -2.37 1 177 TYR -3.38 -2.59 1 178 GLU -1.38 -0.61 1 180 VAL 2.55 -0.37 1 182 ILE 3.41 0.27 1 184 VAL 3.52 1.24 1 186 LYS 2.48 -3.51 1 188 PHE 2.34 1.63 1 189 ARG -0.87 -1.38 1 191 ASN -0.41 0.62 1 192 GLU 3.70 1.97 1 193 ARG 4.26 2.36 1 194 GLN 3.61 2.19 1 195 VAL 4.72 2.01 1 196 ALA 3.00 1.75 1 197 GLN 2.29 1.24 1 198 LEU 1.97 -0.04 1 199 ALA 0.67 0.07 1 200 LYS 1.11 0.17 1 201 LYS 0.96 -0.33 1 202 ASP 0.43 -0.24 1 203 TYR 0.84 0.02 1 204 LEU 1.04 0.11 1 206 LYS 0.10 -0.39 1 207 ALA 0.26 -0.70 1 208 THR 0.35 4.62 1 stop_ save_