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 bmr5340_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.03 _LACS_plot.Line_1_terminator_val_y_1 -2.37 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.65 _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 7.54 _LACS_plot.Line_2_terminator_val_y_2 6.07 _LACS_plot.Y_axis_chem_shift_offset -0.80 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 125 ARG -6.42 4.26 0 14 ARG -8.03 3.21 0 11 SER 0.33 1.24 1 12 SER 0.48 1.39 1 13 LEU 2.58 2.24 1 15 ASP 4.20 4.05 1 16 GLU 3.88 3.60 1 18 ILE 6.14 4.78 1 21 LEU 4.02 3.60 1 22 LEU 3.99 4.13 1 23 VAL 6.61 4.69 1 24 PHE 4.50 6.01 1 26 PHE 4.16 4.79 1 27 LEU 3.68 3.26 1 28 GLN 3.17 3.31 1 29 SER 1.68 2.75 1 31 SER 1.08 1.43 1 32 ASP -1.53 0.07 1 33 ASN 1.44 1.73 1 34 SER 3.34 3.85 1 35 PHE -0.09 -1.37 1 36 ARG 4.81 4.13 1 37 ARG 5.37 4.20 1 38 GLU 5.85 4.56 1 39 LEU 3.20 3.45 1 40 ASP 4.07 3.70 1 41 ALA 4.17 3.33 1 42 LEU 3.45 3.22 1 44 HIS 2.33 2.98 1 45 GLU -0.85 0.27 1 46 LEU -0.20 -1.15 1 48 VAL 0.15 0.19 1 49 LEU 0.69 0.38 1 50 ALA 0.18 -0.66 1 53 TRP -0.50 0.36 1 54 GLU 0.35 0.99 1 56 TYR 0.44 1.08 1 57 ASP 0.03 0.94 1 58 GLU 0.63 1.11 1 59 LEU 1.29 1.06 1 60 GLN 0.57 0.74 1 61 THR 0.19 0.97 1 62 ASP 0.49 1.05 1 64 ASN 0.59 1.12 1 65 ARG 1.30 1.22 1 66 SER 0.26 1.17 1 71 LEU 1.22 1.04 1 73 ARG 0.50 0.66 1 74 ILE 0.84 0.83 1 75 GLU 0.38 0.74 1 76 ALA 0.41 1.05 1 77 ASP 0.85 1.17 1 78 SER 0.24 1.39 1 79 GLU 0.16 1.00 1 80 SER -1.08 0.55 1 81 GLN 3.59 3.65 1 82 GLU 4.98 4.38 1 83 ASP 6.68 6.77 1 84 ILE 4.85 4.45 1 85 ILE 5.18 3.18 1 86 ARG 5.56 4.60 1 87 ASN 4.28 4.01 1 88 ILE 4.75 4.35 1 89 ALA 5.27 4.31 1 90 ARG 4.51 4.11 1 91 HIS 4.61 5.07 1 92 LEU 4.51 3.30 1 93 ALA 4.64 3.36 1 94 GLN 4.93 3.88 1 95 VAL 5.05 4.01 1 97 ASP 4.07 4.24 1 98 SER 2.58 3.17 1 99 MET -0.29 1.86 1 100 ASP 2.50 5.14 1 101 ARG 3.26 2.06 1 102 SER 0.82 1.73 1 103 ILE -1.18 -2.22 1 107 LEU 2.93 3.15 1 108 VAL 5.60 4.64 1 109 ASN 3.54 4.07 1 111 LEU 3.10 2.84 1 112 ALA 4.39 3.59 1 113 LEU 4.31 3.57 1 114 GLN 3.72 3.31 1 115 LEU 2.32 2.54 1 116 ARG 1.33 1.49 1 117 ASN 1.09 0.75 1 118 THR 2.32 2.25 1 119 SER 0.84 1.35 1 120 ARG 0.07 0.31 1 121 SER -2.91 -0.09 1 122 GLU 4.28 4.00 1 123 GLU 4.02 3.66 1 124 ASP 4.72 4.09 1 126 ASN 4.07 4.12 1 127 ARG 4.80 3.84 1 128 ASP 5.23 4.28 1 129 LEU 4.29 3.79 1 130 ALA 4.21 3.89 1 131 THR 5.01 4.94 1 132 ALA 4.03 3.47 1 133 LEU 4.46 3.64 1 134 GLU 3.94 3.66 1 135 GLN 4.54 3.65 1 136 LEU 2.58 2.88 1 137 LEU 3.42 2.92 1 138 GLN 3.32 2.59 1 139 ALA 0.54 0.78 1 140 TYR 0.56 1.69 1 142 ARG 1.82 1.10 1 143 ASP 0.81 0.90 1 144 MET -0.57 0.78 1 145 GLU 1.04 0.52 1 146 LYS 4.95 4.74 1 147 GLU 6.81 5.10 1 148 LYS 4.57 4.44 1 149 THR 6.52 5.66 1 150 MET 3.61 5.12 1 151 LEU 4.33 3.75 1 153 LEU 3.86 3.68 1 154 ALA 5.62 3.78 1 155 LEU 7.55 3.07 1 156 LEU 1.89 3.07 1 157 LEU 4.89 3.68 1 158 ALA 5.51 3.43 1 159 LYS 4.31 4.02 1 160 LYS 4.18 3.41 1 161 VAL 6.44 5.00 1 162 ALA 4.04 2.52 1 163 SER 2.73 3.48 1 164 HIS 3.06 5.52 1 167 SER 3.55 2.87 1 168 LEU -0.03 0.35 1 169 LEU 6.83 4.74 1 170 ARG 7.01 5.57 1 171 ASP 3.73 4.05 1 172 VAL 4.63 3.59 1 173 PHE 5.20 5.75 1 174 HIS 4.55 5.41 1 175 THR 5.51 5.36 1 177 VAL 5.84 4.88 1 178 ASN 4.55 4.05 1 179 PHE 4.77 5.40 1 180 ILE 5.99 5.11 1 181 ASN 3.64 3.37 1 182 GLN 2.21 2.59 1 183 ASN -0.72 2.76 1 184 LEU -3.34 -0.57 1 185 ARG 5.25 5.09 1 186 THR 5.73 4.71 1 187 TYR 3.76 3.91 1 188 VAL 6.71 5.19 1 189 ARG 4.86 4.22 1 190 SER 3.60 3.55 1 191 LEU 3.15 2.81 1 192 ALA 2.36 1.96 1 193 ARG 1.40 1.64 1 194 ASN 0.13 1.62 1 196 MET -0.50 0.61 1 197 ASP 0.94 2.46 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5340_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.03 _LACS_plot.Line_1_terminator_val_y_1 5.66 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.35 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 1.35 _LACS_plot.Line_2_terminator_val_x_2 7.54 _LACS_plot.Line_2_terminator_val_y_2 -1.47 _LACS_plot.Y_axis_chem_shift_offset -0.80 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 125 ARG -6.42 10.68 0 14 ARG -8.03 11.24 0 11 SER 0.33 0.91 1 12 SER 0.48 0.91 1 13 LEU 2.58 -0.34 1 15 ASP 4.20 -0.15 1 16 GLU 3.88 -0.28 1 18 ILE 6.14 -1.36 1 21 LEU 4.02 -0.42 1 22 LEU 3.99 0.14 1 23 VAL 6.61 -1.92 1 24 PHE 4.50 1.51 1 26 PHE 4.16 0.63 1 27 LEU 3.68 -0.42 1 28 GLN 3.17 0.14 1 29 SER 1.68 1.07 1 31 SER 1.08 0.35 1 32 ASP -1.53 1.60 1 33 ASN 1.44 0.29 1 34 SER 3.34 0.51 1 35 PHE -0.09 -1.28 1 36 ARG 4.81 -0.68 1 37 ARG 5.37 -1.17 1 38 GLU 5.85 -1.29 1 39 LEU 3.20 0.25 1 40 ASP 4.07 -0.37 1 41 ALA 4.17 -0.84 1 42 LEU 3.45 -0.23 1 44 HIS 2.33 0.65 1 45 GLU -0.85 1.12 1 46 LEU -0.20 -0.95 1 48 VAL 0.15 0.04 1 49 LEU 0.69 -0.31 1 50 ALA 0.18 -0.84 1 53 TRP -0.50 0.86 1 54 GLU 0.35 0.64 1 56 TYR 0.44 0.64 1 57 ASP 0.03 0.91 1 58 GLU 0.63 0.48 1 59 LEU 1.29 -0.23 1 60 GLN 0.57 0.17 1 61 THR 0.19 0.78 1 62 ASP 0.49 0.56 1 64 ASN 0.59 0.53 1 65 ARG 1.30 -0.08 1 66 SER 0.26 0.91 1 71 LEU 1.22 -0.18 1 73 ARG 0.50 0.16 1 74 ILE 0.84 -0.01 1 75 GLU 0.38 0.36 1 76 ALA 0.41 0.64 1 77 ASP 0.85 0.32 1 78 SER 0.24 1.15 1 79 GLU 0.16 0.84 1 80 SER -1.08 1.63 1 81 GLN 3.59 0.06 1 82 GLU 4.98 -0.60 1 83 ASP 6.68 0.09 1 84 ILE 4.85 -0.40 1 85 ILE 5.18 -2.00 1 86 ARG 5.56 -0.96 1 87 ASN 4.28 -0.27 1 88 ILE 4.75 -0.40 1 89 ALA 5.27 -0.96 1 90 ARG 4.51 -0.40 1 91 HIS 4.61 0.46 1 92 LEU 4.51 -1.21 1 93 ALA 4.64 -1.28 1 94 GLN 4.93 -1.05 1 95 VAL 5.05 -1.04 1 97 ASP 4.07 0.17 1 98 SER 2.58 0.59 1 99 MET -0.29 2.15 1 100 ASP 2.50 2.64 1 101 ARG 3.26 -1.20 1 102 SER 0.82 0.91 1 103 ILE -1.18 -1.04 1 107 LEU 2.93 0.22 1 108 VAL 5.60 -0.96 1 109 ASN 3.54 0.53 1 111 LEU 3.10 -0.26 1 112 ALA 4.39 -0.80 1 113 LEU 4.31 -0.74 1 114 GLN 3.72 -0.41 1 115 LEU 2.32 0.22 1 116 ARG 1.33 0.16 1 117 ASN 1.09 -0.34 1 118 THR 2.32 -0.07 1 119 SER 0.84 0.51 1 120 ARG 0.07 0.24 1 121 SER -2.91 2.82 1 122 GLU 4.28 -0.28 1 123 GLU 4.02 -0.36 1 124 ASP 4.72 -0.63 1 126 ASN 4.07 0.05 1 127 ARG 4.80 -0.96 1 128 ASP 5.23 -0.95 1 129 LEU 4.29 -0.50 1 130 ALA 4.21 -0.32 1 131 THR 5.01 -0.07 1 132 ALA 4.03 -0.56 1 133 LEU 4.46 -0.82 1 134 GLU 3.94 -0.28 1 135 GLN 4.54 -0.89 1 136 LEU 2.58 0.30 1 137 LEU 3.42 -0.50 1 138 GLN 3.32 -0.73 1 139 ALA 0.54 0.24 1 140 TYR 0.56 1.13 1 142 ARG 1.82 -0.72 1 143 ASP 0.81 0.09 1 144 MET -0.57 1.35 1 145 GLU 1.04 -0.52 1 146 LYS 4.95 -0.21 1 147 GLU 6.81 -1.71 1 148 LYS 4.57 -0.13 1 149 THR 6.52 -0.86 1 150 MET 3.61 1.51 1 151 LEU 4.33 -0.58 1 153 LEU 3.86 -0.18 1 154 ALA 5.62 -1.84 1 155 LEU 7.55 -4.48 1 156 LEU 1.89 1.18 1 157 LEU 4.89 -1.21 1 158 ALA 5.51 -2.08 1 159 LYS 4.31 -0.29 1 160 LYS 4.18 -0.77 1 161 VAL 6.44 -1.44 1 162 ALA 4.04 -1.52 1 163 SER 2.73 0.75 1 164 HIS 3.06 2.46 1 167 SER 3.55 -0.68 1 168 LEU -0.03 0.38 1 169 LEU 6.83 -2.09 1 170 ARG 7.01 -1.44 1 171 ASP 3.73 0.32 1 172 VAL 4.63 -1.04 1 173 PHE 5.20 0.55 1 174 HIS 4.55 0.86 1 175 THR 5.51 -0.15 1 177 VAL 5.84 -0.96 1 178 ASN 4.55 -0.50 1 179 PHE 4.77 0.63 1 180 ILE 5.99 -0.88 1 181 ASN 3.64 -0.27 1 182 GLN 2.21 0.38 1 183 ASN -0.72 3.48 1 184 LEU -3.34 2.77 1 185 ARG 5.25 -0.16 1 186 THR 5.73 -1.02 1 187 TYR 3.76 0.15 1 188 VAL 6.71 -1.52 1 189 ARG 4.86 -0.64 1 190 SER 3.60 -0.05 1 191 LEU 3.15 -0.34 1 192 ALA 2.36 -0.40 1 193 ARG 1.40 0.24 1 194 ASN 0.13 1.49 1 196 MET -0.50 1.11 1 197 ASP 0.94 1.52 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5340_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -8.03 _LACS_plot.Line_1_terminator_val_y_1 -4.23 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.46 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.08 _LACS_plot.Line_2_terminator_val_x_2 7.54 _LACS_plot.Line_2_terminator_val_y_2 2.52 _LACS_plot.Y_axis_chem_shift_offset 0.40 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 14 ARG -8.03 2.04 0 11 SER 0.33 0.08 1 12 SER 0.48 0.50 1 13 LEU 2.58 0.73 1 15 ASP 4.20 2.08 1 16 GLU 3.88 1.97 1 18 ILE 6.14 0.74 1 21 LEU 4.02 2.11 1 22 LEU 3.99 -0.09 1 23 VAL 6.61 1.49 1 24 PHE 4.50 1.08 1 26 PHE 4.16 1.13 1 27 LEU 3.68 1.03 1 28 GLN 3.17 1.74 1 29 SER 1.68 -0.77 1 31 SER 1.08 -1.14 1 32 ASP -1.53 -0.81 1 33 ASN 1.44 1.55 1 34 SER 3.34 0.06 1 35 PHE -0.09 -0.88 1 36 ARG 4.81 1.21 1 37 ARG 5.37 3.14 1 38 GLU 5.85 2.53 1 39 LEU 3.20 0.31 1 40 ASP 4.07 2.85 1 41 ALA 4.17 2.49 1 42 LEU 3.45 1.15 1 44 HIS 2.33 1.14 1 45 GLU -0.85 -0.33 1 46 LEU -0.20 -2.70 1 48 VAL 0.15 -0.92 1 49 LEU 0.69 -1.60 1 50 ALA 0.18 -2.56 1 53 TRP -0.50 -0.14 1 54 GLU 0.35 -0.33 1 56 TYR 0.44 -0.62 1 57 ASP 0.03 -0.37 1 58 GLU 0.63 -0.28 1 59 LEU 1.29 -1.28 1 60 GLN 0.57 0.10 1 61 THR 0.19 -0.41 1 62 ASP 0.49 -2.01 1 64 ASN 0.59 -0.02 1 65 ARG 1.30 0.02 1 66 SER 0.26 0.01 1 71 LEU 1.22 -0.09 1 73 ARG 0.50 -0.36 1 74 ILE 0.84 -0.27 1 75 GLU 0.38 -0.61 1 76 ALA 0.41 -0.55 1 77 ASP 0.85 -0.19 1 78 SER 0.24 -0.33 1 79 GLU 0.16 -0.22 1 80 SER -1.08 0.61 1 81 GLN 3.59 1.90 1 82 GLU 4.98 1.62 1 83 ASP 6.68 1.85 1 84 ILE 4.85 2.33 1 85 ILE 5.18 0.79 1 86 ARG 5.56 2.43 1 87 ASN 4.28 3.36 1 88 ILE 4.75 1.32 1 89 ALA 5.27 1.04 1 90 ARG 4.51 2.81 1 91 HIS 4.61 3.69 1 92 LEU 4.51 1.28 1 93 ALA 4.64 1.52 1 94 GLN 4.93 3.32 1 95 VAL 5.05 3.27 1 97 ASP 4.07 2.13 1 98 SER 2.58 0.49 1 99 MET -0.29 0.59 1 100 ASP 2.50 0.95 1 101 ARG 3.26 0.50 1 102 SER 0.82 -1.18 1 103 ILE -1.18 -2.96 1 107 LEU 2.93 1.31 1 108 VAL 5.60 0.08 1 109 ASN 3.54 1.78 1 111 LEU 3.10 0.66 1 112 ALA 4.39 1.32 1 113 LEU 4.31 2.60 1 114 GLN 3.72 3.26 1 115 LEU 2.32 -0.25 1 116 ARG 1.33 -0.33 1 117 ASN 1.09 1.07 1 118 THR 2.32 2.69 1 119 SER 0.84 -0.70 1 120 ARG 0.07 -0.65 1 121 SER -2.91 -0.13 1 122 GLU 4.28 1.83 1 123 GLU 4.02 2.38 1 124 ASP 4.72 1.25 1 125 ARG -6.42 2.31 1 126 ASN 4.07 2.38 1 127 ARG 4.80 2.61 1 128 ASP 5.23 2.91 1 129 LEU 4.29 -0.24 1 130 ALA 4.21 2.46 1 131 THR 5.01 1.47 1 132 ALA 4.03 1.23 1 133 LEU 4.46 0.94 1 134 GLU 3.94 2.50 1 135 GLN 4.54 3.22 1 136 LEU 2.58 1.45 1 137 LEU 3.42 1.22 1 138 GLN 3.32 0.29 1 139 ALA 0.54 -1.26 1 140 TYR 0.56 -1.50 1 142 ARG 1.82 -0.26 1 143 ASP 0.81 -0.52 1 144 MET -0.57 -1.00 1 145 GLU 1.04 0.50 1 146 LYS 4.95 0.95 1 147 GLU 6.81 0.10 1 148 LYS 4.57 1.11 1 149 THR 6.52 0.44 1 150 MET 3.61 0.08 1 151 LEU 4.33 -0.55 1 153 LEU 3.86 0.27 1 154 ALA 5.62 1.13 1 155 LEU 7.55 0.12 1 156 LEU 1.89 1.59 1 157 LEU 4.89 0.41 1 158 ALA 5.51 0.47 1 159 LYS 4.31 1.58 1 160 LYS 4.18 3.28 1 161 VAL 6.44 -0.24 1 162 ALA 4.04 -1.00 1 163 SER 2.73 1.02 1 164 HIS 3.06 3.04 1 167 SER 3.55 1.66 1 168 LEU -0.03 -0.77 1 169 LEU 6.83 -0.32 1 170 ARG 7.01 1.12 1 171 ASP 3.73 3.35 1 172 VAL 4.63 1.49 1 173 PHE 5.20 0.10 1 174 HIS 4.55 3.66 1 175 THR 5.51 1.24 1 177 VAL 5.84 1.04 1 178 ASN 4.55 1.78 1 179 PHE 4.77 2.74 1 180 ILE 5.99 1.11 1 181 ASN 3.64 1.50 1 182 GLN 2.21 1.19 1 183 ASN -0.72 -0.13 1 184 LEU -3.34 -1.61 1 185 ARG 5.25 1.94 1 186 THR 5.73 1.63 1 187 TYR 3.76 1.97 1 188 VAL 6.71 0.96 1 189 ARG 4.86 2.45 1 190 SER 3.60 1.64 1 191 LEU 3.15 0.66 1 192 ALA 2.36 -0.80 1 193 ARG 1.40 0.50 1 194 ASN 0.13 0.68 1 196 MET -0.50 -1.78 1 197 ASP 0.94 4.22 1 stop_ save_