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 bmr19413_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.96 _LACS_plot.Line_1_terminator_val_y_1 -3.48 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.89 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.47 _LACS_plot.Line_2_terminator_val_x_2 9.69 _LACS_plot.Line_2_terminator_val_y_2 7.19 _LACS_plot.Y_axis_chem_shift_offset -0.01 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 153 ALA -6.63 -0.88 0 10 GLN 5.68 3.37 1 11 TYR -5.54 -3.16 1 12 ILE -5.30 -2.10 1 13 THR 2.89 1.58 1 14 LEU 1.08 0.19 1 15 ASP 1.74 1.52 1 16 LYS -2.01 -1.71 1 18 ILE -1.96 -2.52 1 19 ALA -0.09 0.15 1 25 LEU -5.84 -2.13 1 26 GLU -6.96 -3.16 1 27 PHE -6.16 -1.75 1 28 PHE -6.86 -2.86 1 29 SER -4.65 -3.74 1 30 PHE 5.79 4.83 1 31 TYR 0.96 1.94 1 34 HIS 2.40 3.45 1 36 TYR 3.85 2.53 1 37 GLN 4.18 2.71 1 38 PHE 3.78 3.10 1 39 GLU 0.22 1.18 1 40 GLU -0.90 -1.02 1 41 VAL 2.31 1.77 1 42 LEU -0.71 0.00 1 43 HIS 3.87 0.47 1 44 VAL 7.78 5.77 1 45 SER 4.18 2.94 1 46 ASP 3.10 3.03 1 47 ASN 3.49 4.22 1 48 VAL 6.15 4.60 1 49 ARG 4.36 3.80 1 50 GLN 2.42 2.03 1 51 LYS -1.95 -1.40 1 52 LEU 0.58 -0.17 1 54 GLU 2.08 1.52 1 56 THR 2.93 1.91 1 57 LYS -0.71 -0.36 1 58 MET -2.45 -0.96 1 59 THR -1.01 0.14 1 60 LYS -4.02 -1.70 1 61 TYR -7.96 -6.07 1 62 HIS -1.35 0.47 1 63 VAL -5.10 -4.12 1 64 GLU -0.12 -0.27 1 65 PHE 2.01 0.01 1 66 LEU -3.23 -1.29 1 69 LEU -0.25 -2.21 1 71 LYS 6.35 4.84 1 72 ASP 2.64 3.70 1 73 LEU 1.50 2.18 1 74 THR 7.23 5.60 1 75 GLN 7.54 3.70 1 76 ALA 2.35 2.40 1 77 TRP 1.58 1.57 1 78 ALA 1.32 2.38 1 79 VAL 7.49 4.71 1 80 ALA 3.94 2.34 1 81 ILE 3.48 2.88 1 82 ALA 3.40 2.41 1 83 LEU -1.33 -0.52 1 85 VAL -1.56 -3.02 1 86 GLU 5.69 4.76 1 87 ASP 3.45 2.08 1 88 LYS 0.65 0.98 1 89 ILE -2.98 -1.78 1 90 THR 9.29 7.98 1 91 ALA 9.69 6.79 1 93 MET 4.34 1.50 1 94 PHE 6.46 6.18 1 95 GLU 3.06 2.80 1 96 ALA 1.59 1.49 1 97 VAL 4.76 3.60 1 98 GLN 1.25 2.53 1 99 LYS 1.52 0.96 1 100 THR 2.08 0.62 1 101 GLN 5.07 1.29 1 102 THR 0.72 -0.77 1 103 VAL 1.32 -0.23 1 104 GLN -1.95 -0.58 1 105 SER -4.91 -1.88 1 106 VAL 5.53 3.56 1 107 ALA 3.46 2.41 1 108 ASP 0.79 2.46 1 109 ILE 5.42 4.51 1 110 ARG 3.72 2.66 1 111 LYS 4.15 3.02 1 112 VAL 5.54 3.86 1 113 PHE 4.96 3.78 1 114 VAL 4.05 2.52 1 115 ASP 4.30 2.48 1 116 ALA -0.13 -0.62 1 118 VAL 0.56 -0.60 1 119 LYS 2.18 0.89 1 121 GLU 4.01 2.92 1 122 ASP 3.83 2.36 1 123 TYR 5.05 4.25 1 124 ASP 4.41 2.92 1 125 ALA 2.70 1.73 1 126 ALA 2.36 1.83 1 127 TRP 5.18 3.96 1 128 ASN -1.75 -0.58 1 129 SER -1.48 0.23 1 130 PHE 4.58 3.35 1 131 VAL 4.59 3.47 1 132 VAL 6.31 4.63 1 133 LYS 5.11 3.53 1 134 SER 4.21 2.72 1 135 LEU 0.70 2.46 1 136 VAL 8.70 6.66 1 137 ALA 4.10 2.43 1 138 GLN 3.72 3.41 1 139 GLN 2.74 4.18 1 140 GLU 3.32 2.38 1 141 LYS 3.23 2.72 1 142 ALA 3.21 2.56 1 143 ALA 3.12 2.02 1 144 ALA 3.04 2.16 1 145 ASP 3.85 2.78 1 146 LEU 0.80 -0.55 1 147 GLN 3.39 0.12 1 148 LEU 0.47 1.21 1 149 GLN -1.95 -0.83 1 151 VAL -4.24 -2.16 1 154 MET -3.84 0.09 1 155 TYR -5.88 -1.69 1 157 ASN 3.12 1.37 1 159 LYS -3.13 0.56 1 160 TYR -7.12 -3.04 1 161 GLN -4.74 -2.29 1 162 LEU 1.21 -1.11 1 163 ASN -1.74 -1.53 1 165 GLN 3.69 2.27 1 167 MET -2.39 -0.83 1 168 ASP 0.43 -0.02 1 169 THR -0.08 -1.46 1 170 SER 3.25 2.57 1 171 ASN -2.54 -0.75 1 172 MET 1.98 1.83 1 173 ASP 4.62 3.31 1 174 VAL 4.38 3.34 1 175 PHE 4.09 3.76 1 176 VAL 6.23 4.70 1 177 ALA 3.35 2.27 1 178 GLN 4.61 3.26 1 179 TYR 4.48 3.66 1 180 ALA 4.04 2.91 1 181 ASP 2.40 3.10 1 182 THR 7.65 5.58 1 183 VAL 7.55 5.58 1 184 LYS 4.98 4.16 1 185 GLN 3.66 3.58 1 186 LEU 2.28 1.94 1 187 VAL 4.88 3.54 1 188 GLU 0.67 0.56 1 189 LYS 1.93 1.55 1 190 LYS 2.07 1.81 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19413_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.96 _LACS_plot.Line_1_terminator_val_y_1 4.48 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.11 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.53 _LACS_plot.Line_2_terminator_val_x_2 9.69 _LACS_plot.Line_2_terminator_val_y_2 -2.50 _LACS_plot.Y_axis_chem_shift_offset -0.01 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 153 ALA -6.63 5.75 0 10 GLN 5.68 -2.31 1 11 TYR -5.54 2.38 1 12 ILE -5.30 3.20 1 13 THR 2.89 -1.31 1 14 LEU 1.08 -0.89 1 15 ASP 1.74 -0.22 1 16 LYS -2.01 0.30 1 18 ILE -1.96 -0.56 1 19 ALA -0.09 0.24 1 25 LEU -5.84 3.71 1 26 GLU -6.96 3.80 1 27 PHE -6.16 4.41 1 28 PHE -6.86 4.00 1 29 SER -4.65 0.91 1 30 PHE 5.79 -0.96 1 31 TYR 0.96 0.98 1 34 HIS 2.40 1.05 1 36 TYR 3.85 -1.32 1 37 GLN 4.18 -1.47 1 38 PHE 3.78 -0.68 1 39 GLU 0.22 0.96 1 40 GLU -0.90 -0.12 1 41 VAL 2.31 -0.54 1 42 LEU -0.71 0.71 1 43 HIS 3.87 -3.40 1 44 VAL 7.78 -2.01 1 45 SER 4.18 -1.24 1 46 ASP 3.10 -0.07 1 47 ASN 3.49 0.73 1 48 VAL 6.15 -1.55 1 49 ARG 4.36 -0.56 1 50 GLN 2.42 -0.39 1 51 LYS -1.95 0.55 1 52 LEU 0.58 -0.75 1 54 GLU 2.08 -0.56 1 56 THR 2.93 -1.02 1 57 LYS -0.71 0.35 1 58 MET -2.45 1.49 1 59 THR -1.01 1.15 1 60 LYS -4.02 2.32 1 61 TYR -7.96 1.89 1 62 HIS -1.35 1.82 1 63 VAL -5.10 0.98 1 64 GLU -0.12 -0.15 1 65 PHE 2.01 -2.00 1 66 LEU -3.23 1.94 1 69 LEU -0.25 -1.96 1 71 LYS 6.35 -1.51 1 72 ASP 2.64 1.06 1 73 LEU 1.50 0.68 1 74 THR 7.23 -1.63 1 75 GLN 7.54 -3.84 1 76 ALA 2.35 0.05 1 77 TRP 1.58 -0.01 1 78 ALA 1.32 1.06 1 79 VAL 7.49 -2.78 1 80 ALA 3.94 -1.60 1 81 ILE 3.48 -0.60 1 82 ALA 3.40 -0.99 1 83 LEU -1.33 0.81 1 85 VAL -1.56 -1.46 1 86 GLU 5.69 -0.93 1 87 ASP 3.45 -1.37 1 88 LYS 0.65 0.33 1 89 ILE -2.98 1.20 1 90 THR 9.29 -1.31 1 91 ALA 9.69 -2.90 1 93 MET 4.34 -2.84 1 94 PHE 6.46 -0.28 1 95 GLU 3.06 -0.26 1 96 ALA 1.59 -0.10 1 97 VAL 4.76 -1.16 1 98 GLN 1.25 1.28 1 99 LYS 1.52 -0.56 1 100 THR 2.08 -1.46 1 101 GLN 5.07 -3.78 1 102 THR 0.72 -1.49 1 103 VAL 1.32 -1.55 1 104 GLN -1.95 1.37 1 105 SER -4.91 3.03 1 106 VAL 5.53 -1.97 1 107 ALA 3.46 -1.05 1 108 ASP 0.79 1.67 1 109 ILE 5.42 -0.91 1 110 ARG 3.72 -1.06 1 111 LYS 4.15 -1.13 1 112 VAL 5.54 -1.68 1 113 PHE 4.96 -1.18 1 114 VAL 4.05 -1.53 1 115 ASP 4.30 -1.82 1 116 ALA -0.13 -0.49 1 118 VAL 0.56 -1.16 1 119 LYS 2.18 -1.29 1 121 GLU 4.01 -1.09 1 122 ASP 3.83 -1.47 1 123 TYR 5.05 -0.80 1 124 ASP 4.41 -1.49 1 125 ALA 2.70 -0.97 1 126 ALA 2.36 -0.53 1 127 TRP 5.18 -1.22 1 128 ASN -1.75 1.17 1 129 SER -1.48 1.71 1 130 PHE 4.58 -1.23 1 131 VAL 4.59 -1.12 1 132 VAL 6.31 -1.68 1 133 LYS 5.11 -1.58 1 134 SER 4.21 -1.49 1 135 LEU 0.70 1.76 1 136 VAL 8.70 -2.04 1 137 ALA 4.10 -1.67 1 138 GLN 3.72 -0.31 1 139 GLN 2.74 1.44 1 140 GLU 3.32 -0.94 1 141 LYS 3.23 -0.51 1 142 ALA 3.21 -0.65 1 143 ALA 3.12 -1.10 1 144 ALA 3.04 -0.88 1 145 ASP 3.85 -1.07 1 146 LEU 0.80 -1.35 1 147 GLN 3.39 -3.27 1 148 LEU 0.47 0.74 1 149 GLN -1.95 1.12 1 151 VAL -4.24 2.08 1 154 MET -3.84 3.93 1 155 TYR -5.88 4.19 1 157 ASN 3.12 -1.75 1 159 LYS -3.13 3.69 1 160 TYR -7.12 4.08 1 161 GLN -4.74 2.45 1 162 LEU 1.21 -2.32 1 163 ASN -1.74 0.21 1 165 GLN 3.69 -1.42 1 167 MET -2.39 1.56 1 168 ASP 0.43 -0.45 1 169 THR -0.08 -1.38 1 170 SER 3.25 -0.68 1 171 ASN -2.54 1.79 1 172 MET 1.98 -0.15 1 173 ASP 4.62 -1.31 1 174 VAL 4.38 -1.04 1 175 PHE 4.09 -0.33 1 176 VAL 6.23 -1.53 1 177 ALA 3.35 -1.08 1 178 GLN 4.61 -1.35 1 179 TYR 4.48 -0.82 1 180 ALA 4.04 -1.13 1 181 ASP 2.40 0.70 1 182 THR 7.65 -2.07 1 183 VAL 7.55 -1.97 1 184 LYS 4.98 -0.82 1 185 GLN 3.66 -0.08 1 186 LEU 2.28 -0.34 1 187 VAL 4.88 -1.34 1 188 GLU 0.67 -0.11 1 189 LYS 1.93 -0.38 1 190 LYS 2.07 -0.26 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19413_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.96 _LACS_plot.Line_1_terminator_val_y_1 0.76 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.17 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.17 _LACS_plot.Line_2_terminator_val_x_2 9.69 _LACS_plot.Line_2_terminator_val_y_2 -0.83 _LACS_plot.Y_axis_chem_shift_offset -0.01 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 36 TYR 3.85 -1.79 0 29 SER -4.65 -0.89 0 10 GLN 5.68 -0.21 1 11 TYR -5.54 0.57 1 12 ILE -5.30 0.41 1 13 THR 2.89 0.49 1 14 LEU 1.08 -0.09 1 15 ASP 1.74 -0.20 1 16 LYS -2.01 0.15 1 18 ILE -1.96 0.19 1 19 ALA -0.09 0.03 1 25 LEU -5.84 0.70 1 26 GLU -6.96 1.26 1 27 PHE -6.16 1.45 1 28 PHE -6.86 0.16 1 30 PHE 5.79 -0.25 1 31 TYR 0.96 -0.18 1 34 HIS 2.40 -0.13 1 37 GLN 4.18 -0.63 1 38 PHE 3.78 -0.59 1 39 GLU 0.22 -0.02 1 40 GLU -0.90 -0.34 1 41 VAL 2.31 -0.11 1 42 LEU -0.71 -0.25 1 43 HIS 3.87 -0.22 1 44 VAL 7.78 -1.09 1 45 SER 4.18 -0.47 1 46 ASP 3.10 -0.23 1 47 ASN 3.49 -0.47 1 48 VAL 6.15 -0.66 1 49 ARG 4.36 -0.52 1 50 GLN 2.42 -0.22 1 51 LYS -1.95 0.10 1 52 LEU 0.58 -0.28 1 54 GLU 2.08 -0.25 1 56 THR 2.93 -0.19 1 57 LYS -0.71 0.06 1 58 MET -2.45 0.78 1 59 THR -1.01 0.04 1 60 LYS -4.02 0.96 1 61 TYR -7.96 1.08 1 62 HIS -1.35 -0.35 1 63 VAL -5.10 0.62 1 64 GLU -0.12 -0.31 1 65 PHE 2.01 -0.05 1 66 LEU -3.23 0.36 1 69 LEU -0.25 1.13 1 71 LYS 6.35 -0.27 1 72 ASP 2.64 0.07 1 73 LEU 1.50 -0.10 1 74 THR 7.23 -0.32 1 75 GLN 7.54 -0.68 1 76 ALA 2.35 -0.19 1 77 TRP 1.58 0.24 1 78 ALA 1.32 -0.34 1 79 VAL 7.49 -0.90 1 80 ALA 3.94 -0.30 1 81 ILE 3.48 -0.55 1 82 ALA 3.40 -0.34 1 83 LEU -1.33 0.04 1 85 VAL -1.56 0.80 1 86 GLU 5.69 -0.77 1 87 ASP 3.45 -0.05 1 88 LYS 0.65 0.10 1 89 ILE -2.98 0.07 1 90 THR 9.29 -0.30 1 91 ALA 9.69 -0.02 1 93 MET 4.34 -0.11 1 94 PHE 6.46 -0.10 1 95 GLU 3.06 -0.28 1 96 ALA 1.59 0.13 1 97 VAL 4.76 -0.40 1 98 GLN 1.25 0.21 1 99 LYS 1.52 0.37 1 100 THR 2.08 -0.06 1 101 GLN 5.07 -0.16 1 102 THR 0.72 0.00 1 103 VAL 1.32 0.07 1 104 GLN -1.95 0.22 1 105 SER -4.91 0.41 1 106 VAL 5.53 -0.38 1 107 ALA 3.46 -0.32 1 108 ASP 0.79 -0.26 1 109 ILE 5.42 -0.84 1 110 ARG 3.72 -1.54 1 111 LYS 4.15 -0.47 1 112 VAL 5.54 -0.48 1 113 PHE 4.96 -0.71 1 114 VAL 4.05 0.49 1 115 ASP 4.30 -0.19 1 116 ALA -0.13 0.15 1 118 VAL 0.56 -0.10 1 119 LYS 2.18 -0.14 1 121 GLU 4.01 -0.12 1 122 ASP 3.83 -0.06 1 123 TYR 5.05 -0.83 1 124 ASP 4.41 -0.39 1 125 ALA 2.70 -0.09 1 126 ALA 2.36 -0.21 1 127 TRP 5.18 -1.18 1 128 ASN -1.75 0.10 1 129 SER -1.48 0.00 1 130 PHE 4.58 -0.34 1 131 VAL 4.59 -0.41 1 132 VAL 6.31 -0.61 1 133 LYS 5.11 -0.56 1 134 SER 4.21 -0.31 1 135 LEU 0.70 -0.14 1 136 VAL 8.70 -0.84 1 137 ALA 4.10 -0.16 1 138 GLN 3.72 -0.26 1 139 GLN 2.74 -0.83 1 140 GLU 3.32 -0.41 1 141 LYS 3.23 -0.20 1 142 ALA 3.21 0.09 1 143 ALA 3.12 -0.67 1 144 ALA 3.04 -0.14 1 145 ASP 3.85 -0.30 1 146 LEU 0.80 -0.23 1 147 GLN 3.39 -0.59 1 148 LEU 0.47 -0.45 1 149 GLN -1.95 -0.19 1 151 VAL -4.24 0.03 1 153 ALA -6.63 0.56 1 154 MET -3.84 1.24 1 155 TYR -5.88 1.20 1 157 ASN 3.12 0.00 1 159 LYS -3.13 0.23 1 160 TYR -7.12 1.31 1 161 GLN -4.74 0.41 1 162 LEU 1.21 -0.33 1 163 ASN -1.74 0.45 1 165 GLN 3.69 -0.11 1 167 MET -2.39 0.16 1 168 ASP 0.43 -0.01 1 169 THR -0.08 -0.13 1 170 SER 3.25 -0.31 1 171 ASN -2.54 0.03 1 172 MET 1.98 0.12 1 173 ASP 4.62 -0.15 1 174 VAL 4.38 -0.34 1 175 PHE 4.09 -0.24 1 176 VAL 6.23 -1.08 1 177 ALA 3.35 -0.19 1 178 GLN 4.61 -0.26 1 179 TYR 4.48 -0.96 1 180 ALA 4.04 -0.29 1 181 ASP 2.40 -0.22 1 182 THR 7.65 -0.17 1 183 VAL 7.55 -0.94 1 184 LYS 4.98 -0.69 1 185 GLN 3.66 -0.36 1 186 LEU 2.28 -0.71 1 187 VAL 4.88 -0.61 1 188 GLU 0.67 -0.23 1 189 LYS 1.93 -0.19 1 190 LYS 2.07 -0.28 1 stop_ save_