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 bmr4206_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.89 _LACS_plot.Line_1_terminator_val_y_1 -2.36 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.74 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.09 _LACS_plot.Line_2_terminator_val_x_2 3.71 _LACS_plot.Line_2_terminator_val_y_2 2.17 _LACS_plot.Y_axis_chem_shift_offset -0.05 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 98 ASP 3.71 0.18 0 183 TYR -3.15 1.17 0 121 ARG 3.37 3.22 0 10 ASP -3.27 -1.22 1 11 SER -4.61 -2.15 1 12 SER -3.77 -0.90 1 13 ASP 2.53 0.83 1 14 ILE 2.78 2.17 1 15 THR -2.77 -1.17 1 16 ALA 1.27 1.57 1 17 ASN -4.36 -1.19 1 18 SER -3.59 -1.07 1 19 PHE -2.24 0.07 1 20 THR -0.04 0.07 1 21 VAL -3.01 -1.51 1 22 HIS -4.21 -1.12 1 23 TRP -1.43 -0.30 1 24 VAL 0.30 -0.40 1 25 ALA 0.57 1.27 1 27 ARG 2.19 1.49 1 28 ALA -0.84 0.45 1 30 ILE -5.98 -1.22 1 31 THR -0.40 -0.25 1 33 TYR -4.94 -1.19 1 34 ILE -2.55 -0.23 1 35 ILE -2.73 -1.61 1 36 ARG -4.68 -1.69 1 37 HIS -4.42 0.16 1 38 HIS -2.90 -0.11 1 39 ALA 0.02 -0.37 1 40 GLU 2.34 1.64 1 41 HIS 2.66 0.98 1 42 SER -1.34 -0.25 1 43 VAL -0.13 -0.34 1 45 ARG 0.35 0.37 1 47 ARG -0.45 -0.07 1 48 GLN -4.35 -0.89 1 49 ASP -5.62 -0.42 1 50 ARG -2.48 -0.76 1 51 VAL -4.22 -1.47 1 54 SER 0.77 -0.03 1 55 ARG -2.07 -0.85 1 56 ASN -1.24 -2.07 1 57 SER -4.10 -1.74 1 58 ILE -2.59 -0.11 1 59 THR 1.04 0.77 1 60 LEU -1.08 -1.51 1 61 THR -3.95 -2.22 1 62 ASN 3.08 1.46 1 63 LEU -0.98 -1.90 1 64 ASN -1.24 -0.36 1 67 THR -1.34 1.07 1 68 GLU -0.45 -0.48 1 69 TYR -1.94 0.97 1 70 VAL -0.35 -0.39 1 71 VAL -3.17 -1.40 1 72 SER -4.41 -2.60 1 73 ILE -1.04 0.21 1 74 ILE -4.49 -0.54 1 75 ALA -3.47 -1.25 1 76 VAL -5.25 -3.13 1 77 ASN -1.13 -0.34 1 79 ARG 0.44 0.58 1 80 GLU -1.30 -0.45 1 81 GLU -5.21 -2.42 1 82 SER -0.27 0.72 1 85 LEU -0.55 -0.44 1 86 ILE -2.36 -1.40 1 88 GLN -4.48 -1.54 1 89 GLN -3.18 -0.57 1 90 ALA -4.22 -2.55 1 91 THR -1.59 -1.22 1 92 VAL 0.67 0.41 1 93 SER -0.44 0.06 1 94 ASP -0.37 -1.16 1 95 ILE -1.12 0.48 1 97 ARG -5.16 -1.72 1 99 LEU 0.33 0.61 1 100 GLU -4.50 -1.86 1 101 VAL 0.25 0.06 1 102 ILE -1.63 -0.16 1 103 ALA -2.08 -0.14 1 104 SER -2.41 -0.22 1 105 THR 0.86 0.34 1 107 THR -2.53 -1.61 1 108 SER -4.47 -0.74 1 109 LEU -5.13 -1.57 1 110 LEU -2.30 -0.54 1 111 ILE -4.71 -2.48 1 112 SER -5.13 -1.98 1 113 TRP -1.72 -0.74 1 114 GLU -2.89 -2.17 1 117 ALA 0.91 0.05 1 118 VAL -4.14 -2.79 1 119 SER 1.75 1.01 1 120 VAL -0.90 0.08 1 122 TYR -1.60 -1.43 1 123 TYR -3.33 -1.36 1 124 ARG -4.07 -1.08 1 125 ILE -2.02 -1.45 1 126 THR -5.15 -3.25 1 127 TYR -5.03 -1.85 1 129 GLU -0.07 0.18 1 130 THR 3.05 2.57 1 133 ASN 0.36 0.39 1 134 SER 0.23 0.58 1 136 VAL 0.52 0.23 1 137 GLN -3.09 -1.01 1 138 GLU -6.28 -2.05 1 139 PHE -1.69 -0.76 1 140 THR -4.81 -2.20 1 141 VAL -4.38 -1.15 1 144 SER -0.12 -0.24 1 145 LYS -2.54 -0.73 1 146 SER -1.27 -1.74 1 147 THR -6.53 -2.99 1 148 ALA -4.45 -0.47 1 149 THR -0.97 -0.27 1 150 ILE -0.50 -0.63 1 151 ASN -3.54 -0.59 1 152 ASN 2.90 1.30 1 153 ILE -1.79 -1.67 1 154 LYS -1.64 -0.54 1 157 ALA -4.86 -1.79 1 158 ASP -1.00 -0.95 1 159 TYR -2.82 0.85 1 160 THR 0.35 1.05 1 161 ILE -2.22 -0.22 1 162 THR -0.05 -0.03 1 163 LEU -6.89 -1.60 1 164 TYR -3.91 -1.68 1 165 ALA -2.68 -1.18 1 166 VAL 2.97 0.87 1 167 THR -1.90 -0.80 1 169 ARG -1.02 -0.04 1 171 ASP 0.84 0.45 1 172 SER -0.59 -0.56 1 174 ALA -1.38 -0.19 1 175 SER -2.01 -0.39 1 176 SER -1.90 0.10 1 177 LYS 1.66 1.17 1 179 VAL -2.15 -0.88 1 180 SER -4.95 -1.47 1 181 ILE -5.25 -0.94 1 182 ASN -3.59 -1.08 1 184 LYS -1.98 -0.96 1 185 THR -0.31 0.51 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr4206_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.89 _LACS_plot.Line_1_terminator_val_y_1 4.53 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.26 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.91 _LACS_plot.Line_2_terminator_val_x_2 3.71 _LACS_plot.Line_2_terminator_val_y_2 -1.54 _LACS_plot.Y_axis_chem_shift_offset -0.05 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 98 ASP 3.71 -3.53 0 183 TYR -3.15 4.32 0 121 ARG 3.37 -0.15 0 10 ASP -3.27 2.05 1 11 SER -4.61 2.46 1 12 SER -3.77 2.87 1 13 ASP 2.53 -1.70 1 14 ILE 2.78 -0.61 1 15 THR -2.77 1.60 1 16 ALA 1.27 0.30 1 17 ASN -4.36 3.17 1 18 SER -3.59 2.52 1 19 PHE -2.24 2.31 1 20 THR -0.04 0.11 1 21 VAL -3.01 1.50 1 22 HIS -4.21 3.09 1 23 TRP -1.43 1.13 1 24 VAL 0.30 -0.70 1 25 ALA 0.57 0.70 1 27 ARG 2.19 -0.70 1 28 ALA -0.84 1.29 1 30 ILE -5.98 4.76 1 31 THR -0.40 0.15 1 33 TYR -4.94 3.75 1 34 ILE -2.55 2.32 1 35 ILE -2.73 1.12 1 36 ARG -4.68 2.99 1 37 HIS -4.42 4.58 1 38 HIS -2.90 2.79 1 39 ALA 0.02 -0.39 1 40 GLU 2.34 -0.70 1 41 HIS 2.66 -1.68 1 42 SER -1.34 1.09 1 43 VAL -0.13 -0.21 1 45 ARG 0.35 0.02 1 47 ARG -0.45 0.38 1 48 GLN -4.35 3.46 1 49 ASP -5.62 5.20 1 50 ARG -2.48 1.72 1 51 VAL -4.22 2.75 1 54 SER 0.77 -0.80 1 55 ARG -2.07 1.22 1 56 ASN -1.24 -0.83 1 57 SER -4.10 2.36 1 58 ILE -2.59 2.48 1 59 THR 1.04 -0.27 1 60 LEU -1.08 -0.43 1 61 THR -3.95 1.73 1 62 ASN 3.08 -1.62 1 63 LEU -0.98 -0.92 1 64 ASN -1.24 0.88 1 67 THR -1.34 2.41 1 68 GLU -0.45 -0.03 1 69 TYR -1.94 2.91 1 70 VAL -0.35 -0.04 1 71 VAL -3.17 1.77 1 72 SER -4.41 1.81 1 73 ILE -1.04 1.25 1 74 ILE -4.49 3.95 1 75 ALA -3.47 2.22 1 76 VAL -5.25 2.12 1 77 ASN -1.13 0.79 1 79 ARG 0.44 0.14 1 80 GLU -1.30 0.85 1 81 GLU -5.21 2.79 1 82 SER -0.27 0.99 1 85 LEU -0.55 0.11 1 86 ILE -2.36 0.96 1 88 GLN -4.48 2.94 1 89 GLN -3.18 2.61 1 90 ALA -4.22 1.67 1 91 THR -1.59 0.37 1 92 VAL 0.67 -0.26 1 93 SER -0.44 0.50 1 94 ASP -0.37 -0.79 1 95 ILE -1.12 1.60 1 97 ARG -5.16 3.44 1 99 LEU 0.33 0.28 1 100 GLU -4.50 2.64 1 101 VAL 0.25 -0.19 1 102 ILE -1.63 1.47 1 103 ALA -2.08 1.94 1 104 SER -2.41 2.19 1 105 THR 0.86 -0.52 1 107 THR -2.53 0.92 1 108 SER -4.47 3.73 1 109 LEU -5.13 3.56 1 110 LEU -2.30 1.76 1 111 ILE -4.71 2.23 1 112 SER -5.13 3.15 1 113 TRP -1.72 0.98 1 114 GLU -2.89 0.72 1 117 ALA 0.91 -0.86 1 118 VAL -4.14 1.35 1 119 SER 1.75 -0.74 1 120 VAL -0.90 0.98 1 122 TYR -1.60 0.17 1 123 TYR -3.33 1.97 1 124 ARG -4.07 2.99 1 125 ILE -2.02 0.57 1 126 THR -5.15 1.90 1 127 TYR -5.03 3.18 1 129 GLU -0.07 0.25 1 130 THR 3.05 -0.48 1 133 ASN 0.36 0.03 1 134 SER 0.23 0.35 1 136 VAL 0.52 -0.29 1 137 GLN -3.09 2.08 1 138 GLU -6.28 4.23 1 139 PHE -1.69 0.93 1 140 THR -4.81 2.61 1 141 VAL -4.38 3.23 1 144 SER -0.12 -0.12 1 145 LYS -2.54 1.81 1 146 SER -1.27 -0.47 1 147 THR -6.53 3.54 1 148 ALA -4.45 3.98 1 149 THR -0.97 0.70 1 150 ILE -0.50 -0.13 1 151 ASN -3.54 2.95 1 152 ASN 2.90 -1.60 1 153 ILE -1.79 0.12 1 154 LYS -1.64 1.10 1 157 ALA -4.86 3.07 1 158 ASP -1.00 0.05 1 159 TYR -2.82 3.67 1 160 THR 0.35 0.70 1 161 ILE -2.22 2.00 1 162 THR -0.05 0.02 1 163 LEU -6.89 5.29 1 164 TYR -3.91 2.23 1 165 ALA -2.68 1.50 1 166 VAL 2.97 -2.10 1 167 THR -1.90 1.10 1 169 ARG -1.02 0.98 1 171 ASP 0.84 -0.39 1 172 SER -0.59 0.03 1 174 ALA -1.38 1.19 1 175 SER -2.01 1.62 1 176 SER -1.90 2.00 1 177 LYS 1.66 -0.49 1 179 VAL -2.15 1.27 1 180 SER -4.95 3.48 1 181 ILE -5.25 4.31 1 182 ASN -3.59 2.51 1 184 LYS -1.98 1.02 1 185 THR -0.31 0.82 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr4206_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.89 _LACS_plot.Line_1_terminator_val_y_1 0.94 _LACS_plot.Line_1_terminator_val_x_2 2.00 _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 0.35 _LACS_plot.Line_2_terminator_val_x_2 3.71 _LACS_plot.Line_2_terminator_val_y_2 -0.35 _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 56 ASN -1.24 -1.18 0 10 ASP -3.27 0.21 1 11 SER -4.61 1.34 1 12 SER -3.77 0.25 1 13 ASP 2.53 -0.42 1 14 ILE 2.78 0.06 1 15 THR -2.77 0.52 1 16 ALA 1.27 0.49 1 17 ASN -4.36 0.18 1 18 SER -3.59 0.48 1 19 PHE -2.24 0.39 1 20 THR -0.04 0.71 1 21 VAL -3.01 0.54 1 22 HIS -4.21 0.17 1 23 TRP -1.43 0.34 1 24 VAL 0.30 0.00 1 25 ALA 0.57 0.27 1 27 ARG 2.19 -0.13 1 28 ALA -0.84 -0.11 1 30 ILE -5.98 0.64 1 31 THR -0.40 0.23 1 33 TYR -4.94 1.06 1 34 ILE -2.55 0.48 1 35 ILE -2.73 1.08 1 36 ARG -4.68 1.40 1 37 HIS -4.42 1.41 1 38 HIS -2.90 0.40 1 39 ALA 0.02 -0.21 1 40 GLU 2.34 -0.47 1 41 HIS 2.66 -0.14 1 42 SER -1.34 0.17 1 43 VAL -0.13 0.21 1 45 ARG 0.35 -0.13 1 47 ARG -0.45 0.02 1 48 GLN -4.35 1.03 1 49 ASP -5.62 0.41 1 50 ARG -2.48 0.98 1 51 VAL -4.22 0.59 1 54 SER 0.77 -0.07 1 55 ARG -2.07 0.16 1 57 SER -4.10 0.24 1 58 ILE -2.59 0.24 1 59 THR 1.04 0.30 1 60 LEU -1.08 -0.10 1 61 THR -3.95 0.32 1 62 ASN 3.08 -0.37 1 63 LEU -0.98 -0.04 1 64 ASN -1.24 0.18 1 67 THR -1.34 0.08 1 68 GLU -0.45 -0.12 1 69 TYR -1.94 0.22 1 70 VAL -0.35 0.25 1 71 VAL -3.17 0.85 1 72 SER -4.41 1.19 1 73 ILE -1.04 0.31 1 74 ILE -4.49 -0.12 1 75 ALA -3.47 0.50 1 76 VAL -5.25 1.06 1 77 ASN -1.13 0.25 1 79 ARG 0.44 -0.06 1 80 GLU -1.30 0.00 1 81 GLU -5.21 0.79 1 82 SER -0.27 -0.02 1 85 LEU -0.55 0.27 1 86 ILE -2.36 0.96 1 88 GLN -4.48 1.13 1 89 GLN -3.18 -0.16 1 90 ALA -4.22 1.64 1 91 THR -1.59 0.05 1 92 VAL 0.67 -0.13 1 93 SER -0.44 -0.07 1 94 ASP -0.37 -0.14 1 95 ILE -1.12 0.07 1 97 ARG -5.16 0.41 1 98 ASP 3.71 -0.39 1 99 LEU 0.33 0.69 1 100 GLU -4.50 0.39 1 101 VAL 0.25 0.32 1 102 ILE -1.63 0.28 1 103 ALA -2.08 0.30 1 104 SER -2.41 0.42 1 105 THR 0.86 0.29 1 107 THR -2.53 0.39 1 108 SER -4.47 0.89 1 109 LEU -5.13 0.46 1 110 LEU -2.30 0.68 1 111 ILE -4.71 1.26 1 112 SER -5.13 0.53 1 113 TRP -1.72 0.34 1 114 GLU -2.89 0.39 1 117 ALA 0.91 0.10 1 118 VAL -4.14 0.28 1 119 SER 1.75 -0.22 1 120 VAL -0.90 -0.35 1 121 ARG 3.37 -0.13 1 122 TYR -1.60 0.11 1 123 TYR -3.33 0.73 1 124 ARG -4.07 0.56 1 125 ILE -2.02 0.93 1 126 THR -5.15 1.51 1 127 TYR -5.03 1.40 1 129 GLU -0.07 0.07 1 130 THR 3.05 -0.39 1 133 ASN 0.36 0.03 1 134 SER 0.23 0.04 1 136 VAL 0.52 0.07 1 137 GLN -3.09 0.18 1 138 GLU -6.28 1.54 1 139 PHE -1.69 0.49 1 140 THR -4.81 1.40 1 141 VAL -4.38 0.62 1 144 SER -0.12 0.15 1 145 LYS -2.54 0.29 1 146 SER -1.27 -0.98 1 147 THR -6.53 0.36 1 148 ALA -4.45 0.39 1 149 THR -0.97 0.76 1 150 ILE -0.50 -0.38 1 151 ASN -3.54 0.23 1 152 ASN 2.90 -0.31 1 153 ILE -1.79 0.11 1 154 LYS -1.64 0.23 1 157 ALA -4.86 0.32 1 158 ASP -1.00 0.55 1 159 TYR -2.82 0.53 1 160 THR 0.35 0.71 1 161 ILE -2.22 0.73 1 162 THR -0.05 0.54 1 163 LEU -6.89 0.61 1 164 TYR -3.91 0.00 1 165 ALA -2.68 0.10 1 166 VAL 2.97 0.34 1 167 THR -1.90 0.21 1 169 ARG -1.02 0.06 1 171 ASP 0.84 -0.06 1 172 SER -0.59 -0.04 1 174 ALA -1.38 0.11 1 175 SER -2.01 0.52 1 176 SER -1.90 0.14 1 177 LYS 1.66 -0.10 1 179 VAL -2.15 0.19 1 180 SER -4.95 1.36 1 181 ILE -5.25 0.52 1 182 ASN -3.59 1.16 1 183 TYR -3.15 0.08 1 184 LYS -1.98 0.73 1 185 THR -0.31 -0.10 1 stop_ save_