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 bmr17953_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.87 _LACS_plot.Line_1_terminator_val_y_1 -3.61 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 1.21 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.24 _LACS_plot.Line_2_terminator_val_x_2 6.67 _LACS_plot.Line_2_terminator_val_y_2 5.29 _LACS_plot.Y_axis_chem_shift_offset -0.30 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 127 ILE -0.29 -3.53 0 23 TRP -4.70 -2.46 1 24 GLN -4.81 -1.87 1 25 VAL 3.07 1.62 1 26 LEU 0.33 0.74 1 27 SER -0.66 0.33 1 28 THR -4.12 -1.60 1 31 LYS -2.12 0.23 1 32 GLU -4.54 -1.46 1 33 ASP 1.34 0.97 1 34 VAL 0.70 0.40 1 35 SER -2.76 -0.74 1 36 TYR -5.82 -1.85 1 37 GLU -6.40 -1.87 1 38 GLU -4.00 -2.11 1 39 ARG -6.46 -2.38 1 40 ALA -1.02 -1.45 1 42 GLU -1.39 -0.18 1 45 LYS -0.79 0.18 1 46 PHE -5.37 -1.50 1 47 ALA -3.19 -2.31 1 48 THR -6.73 -4.40 1 49 VAL -4.49 -0.85 1 50 GLU -4.12 -1.64 1 51 VAL -3.49 -0.75 1 52 THR -2.33 -0.73 1 53 ASP 4.05 2.62 1 54 LYS -3.45 -0.54 1 56 VAL 6.03 5.89 1 57 ASP 5.07 5.08 1 58 GLU 1.62 2.36 1 59 ALA 3.12 2.91 1 60 LEU 2.99 3.70 1 61 ARG 4.07 3.70 1 62 GLU 0.66 1.15 1 63 ALA 1.00 2.58 1 64 MET 6.67 2.52 1 66 LYS 3.44 3.12 1 67 ILE 4.13 0.21 1 68 MET 2.09 -0.27 1 69 LYS 4.66 3.05 1 70 TYR 4.81 3.20 1 71 VAL 3.36 1.58 1 74 THR 3.07 -0.49 1 75 ASN -4.42 -1.02 1 76 ASP 3.24 2.86 1 77 LYS -2.65 -1.57 1 79 VAL -4.17 -2.38 1 81 MET -2.60 0.24 1 83 MET -4.03 -1.53 1 84 THR 1.79 1.38 1 87 VAL 1.45 1.35 1 88 SER -8.87 -2.31 1 89 PHE -2.95 -2.03 1 90 ALA -3.77 -1.23 1 91 VAL -4.35 -3.06 1 92 PHE -2.20 -0.37 1 94 ASN -2.24 -0.64 1 95 GLU 4.32 3.91 1 96 ASP 0.39 -0.38 1 98 SER -0.33 0.46 1 99 LEU -0.64 -0.51 1 100 GLN -0.31 0.73 1 101 LYS 0.87 -1.06 1 102 LYS -2.25 0.35 1 103 LEU -4.09 0.32 1 104 LYS -3.85 -0.29 1 105 VAL 0.77 1.68 1 106 TRP -0.91 0.02 1 107 PHE -4.05 -2.52 1 108 ARG 2.95 0.65 1 109 ILE 1.61 -0.12 1 111 ASN 4.52 4.25 1 112 GLN 4.17 2.78 1 113 PHE -1.91 0.02 1 114 GLN 4.69 3.82 1 116 SER 2.54 2.29 1 119 ALA -0.49 -0.34 1 121 SER 2.05 1.14 1 122 ASP -2.02 -1.27 1 123 GLU 2.20 1.80 1 124 SER 2.38 2.41 1 125 VAL 0.98 -0.85 1 126 LYS -3.55 -2.46 1 128 GLU -6.53 -1.46 1 129 GLU -4.14 -1.63 1 130 ARG -4.11 -0.26 1 131 GLU -1.21 -0.50 1 133 ILE -5.16 -1.32 1 134 THR 0.12 -0.32 1 135 VAL -7.93 -4.76 1 136 TYR -2.47 -1.15 1 137 SER -3.87 -2.15 1 138 THR -2.15 -0.52 1 139 GLN -6.11 -1.49 1 140 PHE -2.51 -1.54 1 143 TYR 1.32 0.15 1 144 ALA -1.17 -0.42 1 145 LYS -4.15 -2.04 1 146 GLU 5.35 5.66 1 147 ALA 3.09 2.77 1 148 ASP 1.90 3.07 1 149 TYR 5.38 4.68 1 150 VAL 4.79 4.27 1 151 ALA 4.14 2.95 1 152 HIS 6.17 6.45 1 153 ALA 5.20 3.53 1 154 THR 6.38 5.30 1 155 GLN 4.08 3.23 1 156 LEU 4.09 2.98 1 157 ARG 5.86 5.14 1 158 THR 6.06 5.25 1 160 LEU 0.76 0.19 1 163 THR 0.11 0.32 1 165 ALA -0.38 0.94 1 166 THR -3.10 -1.72 1 167 TYR -5.49 -2.60 1 168 GLN 0.54 0.80 1 170 ASP 0.38 0.09 1 171 VAL -3.82 -2.25 1 172 TYR -1.54 -1.10 1 173 TYR -5.22 -1.93 1 175 ALA -4.81 -1.90 1 177 TYR 0.61 2.26 1 178 ASP -3.15 1.19 1 184 TYR -4.83 -2.84 1 187 ARG -2.94 0.67 1 188 ASN -5.58 -2.32 1 189 GLU -8.04 -2.12 1 190 VAL -3.36 -0.51 1 191 TRP -7.38 -5.17 1 192 LEU -2.04 -1.53 1 193 VAL 0.66 0.81 1 194 LYS 0.88 1.74 1 195 ALA -0.84 0.87 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17953_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.87 _LACS_plot.Line_1_terminator_val_y_1 5.26 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -0.78 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.76 _LACS_plot.Line_2_terminator_val_x_2 6.67 _LACS_plot.Line_2_terminator_val_y_2 -1.38 _LACS_plot.Y_axis_chem_shift_offset -0.30 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 127 ILE -0.29 -3.24 0 23 TRP -4.70 2.24 1 24 GLN -4.81 2.94 1 25 VAL 3.07 -1.45 1 26 LEU 0.33 0.41 1 27 SER -0.66 0.99 1 28 THR -4.12 2.52 1 31 LYS -2.12 2.35 1 32 GLU -4.54 3.08 1 33 ASP 1.34 -0.37 1 34 VAL 0.70 -0.30 1 35 SER -2.76 2.02 1 36 TYR -5.82 3.97 1 37 GLU -6.40 4.53 1 38 GLU -4.00 1.89 1 39 ARG -6.46 4.08 1 40 ALA -1.02 -0.43 1 42 GLU -1.39 1.21 1 45 LYS -0.79 0.97 1 46 PHE -5.37 3.87 1 47 ALA -3.19 0.88 1 48 THR -6.73 2.33 1 49 VAL -4.49 3.64 1 50 GLU -4.12 2.48 1 51 VAL -3.49 2.74 1 52 THR -2.33 1.60 1 53 ASP 4.05 -1.43 1 54 LYS -3.45 2.91 1 56 VAL 6.03 -0.14 1 57 ASP 5.07 0.01 1 58 GLU 1.62 0.74 1 59 ALA 3.12 -0.21 1 60 LEU 2.99 0.71 1 61 ARG 4.07 -0.37 1 62 GLU 0.66 0.49 1 63 ALA 1.00 1.58 1 64 MET 6.67 -4.15 1 66 LYS 3.44 -0.32 1 67 ILE 4.13 -3.92 1 68 MET 2.09 -2.36 1 69 LYS 4.66 -1.61 1 70 TYR 4.81 -1.61 1 71 VAL 3.36 -1.78 1 74 THR 3.07 -3.56 1 75 ASN -4.42 3.40 1 76 ASP 3.24 -0.38 1 77 LYS -2.65 1.08 1 79 VAL -4.17 1.79 1 81 MET -2.60 2.84 1 83 MET -4.03 2.50 1 84 THR 1.79 -0.41 1 87 VAL 1.45 -0.10 1 88 SER -8.87 6.56 1 89 PHE -2.95 0.92 1 90 ALA -3.77 2.54 1 91 VAL -4.35 1.29 1 92 PHE -2.20 1.83 1 94 ASN -2.24 1.60 1 95 GLU 4.32 -0.41 1 96 ASP 0.39 -0.77 1 98 SER -0.33 0.79 1 99 LEU -0.64 0.13 1 100 GLN -0.31 1.04 1 101 LYS 0.87 -1.93 1 102 LYS -2.25 2.60 1 103 LEU -4.09 4.41 1 104 LYS -3.85 3.56 1 105 VAL 0.77 0.91 1 106 TRP -0.91 0.93 1 107 PHE -4.05 1.53 1 108 ARG 2.95 -2.30 1 109 ILE 1.61 -1.73 1 111 ASN 4.52 -0.27 1 112 GLN 4.17 -1.39 1 113 PHE -1.91 1.93 1 114 GLN 4.69 -0.87 1 116 SER 2.54 -0.25 1 119 ALA -0.49 0.15 1 121 SER 2.05 -0.91 1 122 ASP -2.02 0.75 1 123 GLU 2.20 -0.40 1 124 SER 2.38 0.03 1 125 VAL 0.98 -1.83 1 126 LYS -3.55 1.09 1 128 GLU -6.53 5.07 1 129 GLU -4.14 2.51 1 130 ARG -4.11 3.85 1 131 GLU -1.21 0.71 1 133 ILE -5.16 3.84 1 134 THR 0.12 -0.44 1 135 VAL -7.93 3.17 1 136 TYR -2.47 1.32 1 137 SER -3.87 1.72 1 138 THR -2.15 1.63 1 139 GLN -6.11 4.62 1 140 PHE -2.51 0.97 1 143 TYR 1.32 -1.17 1 144 ALA -1.17 0.75 1 145 LYS -4.15 2.11 1 146 GLU 5.35 0.31 1 147 ALA 3.09 -0.32 1 148 ASP 1.90 1.17 1 149 TYR 5.38 -0.70 1 150 VAL 4.79 -0.52 1 151 ALA 4.14 -1.19 1 152 HIS 6.17 0.28 1 153 ALA 5.20 -1.67 1 154 THR 6.38 -1.08 1 155 GLN 4.08 -0.85 1 156 LEU 4.09 -1.11 1 157 ARG 5.86 -0.72 1 158 THR 6.06 -0.81 1 160 LEU 0.76 -0.57 1 163 THR 0.11 0.21 1 165 ALA -0.38 1.32 1 166 THR -3.10 1.38 1 167 TYR -5.49 2.89 1 168 GLN 0.54 0.26 1 170 ASP 0.38 -0.29 1 171 VAL -3.82 1.57 1 172 TYR -1.54 0.44 1 173 TYR -5.22 3.29 1 175 ALA -4.81 2.91 1 177 TYR 0.61 1.65 1 178 ASP -3.15 4.34 1 184 TYR -4.83 1.99 1 187 ARG -2.94 3.61 1 188 ASN -5.58 3.26 1 189 GLU -8.04 5.92 1 190 VAL -3.36 2.85 1 191 TRP -7.38 2.21 1 192 LEU -2.04 0.51 1 193 VAL 0.66 0.15 1 194 LYS 0.88 0.86 1 195 ALA -0.84 1.71 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17953_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -8.87 _LACS_plot.Line_1_terminator_val_y_1 1.17 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -0.13 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.33 _LACS_plot.Line_2_terminator_val_x_2 6.67 _LACS_plot.Line_2_terminator_val_y_2 -0.62 _LACS_plot.Y_axis_chem_shift_offset -0.11 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 108 ARG 2.95 -1.51 0 23 TRP -4.70 0.73 1 24 GLN -4.81 0.56 1 25 VAL 3.07 0.04 1 26 LEU 0.33 -0.01 1 27 SER -0.66 0.20 1 28 THR -4.12 0.45 1 31 LYS -2.12 0.18 1 32 GLU -4.54 0.33 1 33 ASP 1.34 -0.03 1 34 VAL 0.70 0.27 1 35 SER -2.76 0.77 1 36 TYR -5.82 1.41 1 37 GLU -6.40 0.52 1 38 GLU -4.00 0.89 1 39 ARG -6.46 0.78 1 40 ALA -1.02 0.53 1 42 GLU -1.39 -0.03 1 45 LYS -0.79 0.71 1 46 PHE -5.37 0.42 1 47 ALA -3.19 1.04 1 48 THR -6.73 0.76 1 49 VAL -4.49 0.12 1 50 GLU -4.12 0.76 1 51 VAL -3.49 0.30 1 52 THR -2.33 0.41 1 53 ASP 4.05 -0.24 1 54 LYS -3.45 0.31 1 56 VAL 6.03 -0.55 1 57 ASP 5.07 0.06 1 58 GLU 1.62 -0.11 1 59 ALA 3.12 -0.43 1 60 LEU 2.99 -0.64 1 61 ARG 4.07 0.21 1 62 GLU 0.66 -0.09 1 63 ALA 1.00 -0.62 1 64 MET 6.67 -0.17 1 66 LYS 3.44 -0.65 1 67 ILE 4.13 -1.12 1 68 MET 2.09 -0.31 1 69 LYS 4.66 -0.44 1 70 TYR 4.81 -0.25 1 71 VAL 3.36 -0.63 1 74 THR 3.07 0.03 1 75 ASN -4.42 0.38 1 76 ASP 3.24 -0.40 1 77 LYS -2.65 0.19 1 79 VAL -4.17 0.26 1 81 MET -2.60 -0.13 1 83 MET -4.03 0.44 1 84 THR 1.79 0.31 1 87 VAL 1.45 0.48 1 88 SER -8.87 1.69 1 89 PHE -2.95 1.07 1 90 ALA -3.77 -0.04 1 91 VAL -4.35 0.35 1 92 PHE -2.20 0.17 1 94 ASN -2.24 0.29 1 95 GLU 4.32 -0.26 1 96 ASP 0.39 -0.04 1 98 SER -0.33 -0.11 1 99 LEU -0.64 0.41 1 100 GLN -0.31 -0.03 1 101 LYS 0.87 0.12 1 102 LYS -2.25 0.44 1 103 LEU -4.09 0.99 1 104 LYS -3.85 1.09 1 105 VAL 0.77 0.05 1 106 TRP -0.91 -0.09 1 107 PHE -4.05 0.58 1 109 ILE 1.61 -0.75 1 111 ASN 4.52 -0.47 1 112 GLN 4.17 -0.46 1 113 PHE -1.91 -0.04 1 114 GLN 4.69 -1.10 1 116 SER 2.54 -0.06 1 119 ALA -0.49 -0.04 1 121 SER 2.05 -0.03 1 122 ASP -2.02 -0.11 1 123 GLU 2.20 -0.30 1 124 SER 2.38 -0.25 1 125 VAL 0.98 0.16 1 126 LYS -3.55 0.13 1 127 ILE -0.29 1.10 1 128 GLU -6.53 0.52 1 129 GLU -4.14 1.12 1 130 ARG -4.11 0.30 1 131 GLU -1.21 0.25 1 133 ILE -5.16 0.54 1 134 THR 0.12 1.16 1 135 VAL -7.93 1.17 1 136 TYR -2.47 0.48 1 137 SER -3.87 1.67 1 138 THR -2.15 0.80 1 139 GLN -6.11 1.66 1 140 PHE -2.51 0.40 1 143 TYR 1.32 -0.01 1 144 ALA -1.17 0.24 1 145 LYS -4.15 0.75 1 146 GLU 5.35 -0.16 1 147 ALA 3.09 -0.14 1 148 ASP 1.90 -0.09 1 149 TYR 5.38 -0.14 1 150 VAL 4.79 -0.20 1 151 ALA 4.14 -0.22 1 152 HIS 6.17 -0.69 1 153 ALA 5.20 -0.52 1 154 THR 6.38 -0.61 1 155 GLN 4.08 -0.28 1 156 LEU 4.09 -0.34 1 157 ARG 5.86 -0.98 1 158 THR 6.06 -0.47 1 160 LEU 0.76 -0.36 1 163 THR 0.11 0.43 1 165 ALA -0.38 -0.07 1 166 THR -3.10 0.02 1 167 TYR -5.49 1.20 1 168 GLN 0.54 0.06 1 170 ASP 0.38 -0.02 1 171 VAL -3.82 0.58 1 172 TYR -1.54 -0.01 1 173 TYR -5.22 1.11 1 175 ALA -4.81 1.32 1 177 TYR 0.61 -0.01 1 178 ASP -3.15 0.41 1 184 TYR -4.83 0.25 1 187 ARG -2.94 -0.52 1 188 ASN -5.58 0.78 1 189 GLU -8.04 1.66 1 190 VAL -3.36 0.74 1 191 TRP -7.38 1.20 1 192 LEU -2.04 0.75 1 193 VAL 0.66 0.00 1 194 LYS 0.88 0.23 1 195 ALA -0.84 -0.07 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17953_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -8.87 _LACS_plot.Line_1_terminator_val_y_1 -2.73 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 0.42 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.87 _LACS_plot.Line_2_terminator_val_x_2 6.37 _LACS_plot.Line_2_terminator_val_y_2 1.94 _LACS_plot.Y_axis_chem_shift_offset 0.18 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 68 MET 2.09 3.55 0 114 GLN 4.69 3.81 0 88 SER -8.87 -1.42 0 172 TYR -1.54 -4.10 0 191 TRP -7.38 0.16 0 189 GLU -8.04 -0.24 0 23 TRP -4.70 -1.53 1 24 GLN -4.81 -0.46 1 25 VAL 3.07 -0.14 1 26 LEU 0.33 0.06 1 27 SER -0.66 -2.75 1 28 THR -4.12 -1.64 1 31 LYS -2.12 -1.09 1 32 GLU -4.54 -0.60 1 33 ASP 1.34 -0.77 1 34 VAL 0.70 -1.45 1 35 SER -2.76 -1.14 1 36 TYR -5.82 -1.59 1 37 GLU -6.40 -2.24 1 38 GLU -4.00 -0.80 1 39 ARG -6.46 -2.32 1 42 GLU -1.39 2.36 1 45 LYS -0.79 -0.11 1 46 PHE -5.37 -1.36 1 47 ALA -3.19 -1.39 1 48 THR -6.73 -1.22 1 49 VAL -4.49 -2.44 1 50 GLU -4.12 -1.65 1 51 VAL -3.49 -1.03 1 52 THR -2.33 -1.35 1 53 ASP 4.05 -1.52 1 56 VAL 6.03 0.37 1 57 ASP 5.07 3.11 1 58 GLU 1.62 2.71 1 59 ALA 3.12 2.16 1 60 LEU 2.99 1.05 1 61 ARG 4.07 0.43 1 62 GLU 0.66 1.66 1 63 ALA 1.00 0.86 1 66 LYS 3.44 3.00 1 67 ILE 4.13 -0.15 1 69 LYS 4.66 2.06 1 70 TYR 4.81 1.34 1 71 VAL 3.36 0.68 1 74 THR 3.07 -1.27 1 75 ASN -4.42 0.60 1 76 ASP 3.24 0.55 1 77 LYS -2.65 0.18 1 79 VAL -4.17 -1.63 1 81 MET -2.60 -0.65 1 83 MET -4.03 -2.10 1 87 VAL 1.45 -0.93 1 89 PHE -2.95 -3.12 1 90 ALA -3.77 -2.29 1 91 VAL -4.35 -2.73 1 95 GLU 4.32 0.31 1 96 ASP 0.39 0.81 1 99 LEU -0.64 1.13 1 101 LYS 0.87 -1.07 1 102 LYS -2.25 -3.26 1 103 LEU -4.09 -2.11 1 104 LYS -3.85 -1.24 1 105 VAL 0.77 -2.87 1 106 TRP -0.91 -2.16 1 107 PHE -4.05 -2.17 1 108 ARG 2.95 -2.11 1 111 ASN 4.52 3.01 1 112 GLN 4.17 3.65 1 113 PHE -1.91 1.84 1 121 SER 2.05 -1.19 1 122 ASP -2.02 -0.12 1 123 GLU 2.20 0.01 1 124 SER 2.38 -1.55 1 125 VAL 0.98 -2.24 1 126 LYS -3.55 -1.31 1 127 ILE -0.29 0.48 1 128 GLU -6.53 -2.24 1 129 GLU -4.14 -0.73 1 130 ARG -4.11 -1.65 1 131 GLU -1.21 0.07 1 133 ILE -5.16 -2.33 1 134 THR 0.12 -1.22 1 135 VAL -7.93 -2.51 1 136 TYR -2.47 -1.21 1 137 SER -3.87 0.73 1 138 THR -2.15 -3.45 1 139 GLN -6.11 -1.31 1 143 TYR 1.32 -0.52 1 144 ALA -1.17 -1.15 1 145 LYS -4.15 0.74 1 146 GLU 5.35 0.77 1 147 ALA 3.09 2.95 1 148 ASP 1.90 2.50 1 149 TYR 5.38 2.23 1 150 VAL 4.79 3.22 1 151 ALA 4.14 3.39 1 152 HIS 6.17 3.34 1 153 ALA 5.20 1.47 1 154 THR 6.38 1.84 1 155 GLN 4.08 2.97 1 158 THR 6.06 1.95 1 160 LEU 0.76 1.10 1 165 ALA -0.38 -1.39 1 166 THR -3.10 -1.42 1 167 TYR -5.49 -0.54 1 170 ASP 0.38 -1.54 1 171 VAL -3.82 -3.29 1 173 TYR -5.22 -1.56 1 175 ALA -4.81 0.42 1 177 TYR 0.61 -1.28 1 187 ARG -2.94 -3.13 1 188 ASN -5.58 -1.88 1 190 VAL -3.36 -2.67 1 192 LEU -2.04 -0.46 1 193 VAL 0.66 -0.90 1 194 LYS 0.88 -1.22 1 stop_ save_