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 bmr15922_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.24 _LACS_plot.Line_1_terminator_val_y_1 -2.79 _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 -1.27 _LACS_plot.Line_2_terminator_val_x_2 6.60 _LACS_plot.Line_2_terminator_val_y_2 4.44 _LACS_plot.Y_axis_chem_shift_offset -0.03 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 28 TYR 3.18 -1.56 0 31 HIS 0.70 4.92 0 10 GLN -0.27 -2.21 1 13 ASN -6.63 -1.54 1 14 VAL -3.66 -0.30 1 15 TYR -1.08 0.05 1 16 LEU -2.71 -2.14 1 17 GLU 2.17 -0.06 1 18 THR -4.24 -0.93 1 19 SER 3.42 2.82 1 20 MET -0.70 0.43 1 22 ILE 1.13 1.26 1 23 ILE -4.06 -0.63 1 24 VAL 0.70 -0.63 1 25 LEU -2.71 -2.33 1 26 GLU -4.26 -1.90 1 27 LEU 1.03 -0.38 1 29 TRP 3.11 3.91 1 30 LYS 3.65 1.87 1 32 ALA -1.26 -0.24 1 34 LYS 5.50 4.20 1 35 THR 1.86 -1.31 1 37 LYS 6.60 5.11 1 38 ASN 2.81 4.18 1 39 PHE 2.31 4.15 1 40 ALA 3.51 3.33 1 41 GLU 2.57 1.55 1 42 LEU 5.48 3.52 1 43 ALA 4.32 2.01 1 44 ARG 4.88 4.03 1 45 ARG 1.41 2.16 1 47 TYR 0.89 3.26 1 48 TYR -0.87 -1.95 1 49 ASN 5.79 2.38 1 51 THR -1.14 -0.32 1 52 LYS -2.85 -1.31 1 53 PHE 2.93 0.96 1 54 HIS -0.12 2.59 1 55 ARG -3.01 -0.59 1 56 ILE -2.72 0.20 1 57 ILE -3.12 -0.64 1 58 LYS 3.09 2.14 1 59 ASP 4.33 2.57 1 60 PHE 0.35 -0.40 1 61 MET -1.66 0.35 1 62 ILE -2.43 -0.75 1 63 GLN -3.47 -1.08 1 66 ASP -4.30 -3.24 1 68 THR 0.15 1.11 1 70 THR -0.91 1.48 1 72 ARG -0.84 -0.49 1 75 ALA -4.48 -1.04 1 76 SER -5.51 -0.62 1 77 ILE 2.77 2.19 1 78 TYR 0.80 0.22 1 80 LYS 0.22 0.53 1 81 GLN -0.33 -0.08 1 82 PHE -4.43 -1.90 1 83 GLU 0.82 0.66 1 84 ASP 0.61 1.21 1 85 GLU -3.42 -1.90 1 86 LEU 1.39 -1.03 1 87 HIS -1.58 2.92 1 89 ASP 1.89 1.94 1 90 LEU -1.15 -1.36 1 91 LYS -5.89 -1.57 1 92 PHE 3.56 1.45 1 93 THR 0.63 0.09 1 95 ALA -1.12 0.34 1 97 ILE 2.32 1.14 1 98 LEU -3.90 -1.87 1 99 ALA -8.24 -2.65 1 100 MET -0.54 -2.34 1 101 ALA -1.92 -0.91 1 102 ASN -0.54 1.06 1 103 ALA -2.28 -1.96 1 106 ASP 3.63 1.58 1 107 THR -0.93 -1.76 1 108 ASN 2.57 3.15 1 110 SER 0.75 0.03 1 111 GLN -0.27 2.50 1 112 PHE -5.54 -2.22 1 113 PHE -6.51 -2.03 1 114 VAL -4.41 -2.74 1 115 THR -0.96 1.03 1 116 LEU -0.88 -1.06 1 117 ALA -0.92 0.30 1 119 THR -4.79 -4.15 1 120 GLN 5.06 4.22 1 121 TRP 5.55 2.56 1 122 LEU -0.47 -0.57 1 123 ASP 4.23 3.25 1 125 LYS -1.35 0.15 1 126 HIS -5.89 -1.04 1 127 THR 2.19 2.65 1 128 ILE 1.22 0.73 1 129 PHE -1.97 -2.36 1 131 ARG -4.43 -1.59 1 132 VAL -0.05 0.58 1 134 GLN -1.28 1.10 1 136 ILE -0.41 -0.33 1 138 MET 4.32 2.49 1 139 VAL 6.47 4.78 1 140 ASN 3.45 3.25 1 141 ARG 4.78 3.90 1 142 VAL 6.10 4.56 1 144 MET -1.01 -0.20 1 145 VAL 0.32 0.48 1 146 GLU 1.27 0.92 1 147 THR -5.13 -2.39 1 148 ASN -2.82 -2.64 1 149 SER 3.85 2.96 1 150 GLN 1.04 0.04 1 151 ASP 4.43 2.57 1 152 ARG -2.46 -1.26 1 154 VAL 5.01 3.61 1 155 ASP -2.55 -1.45 1 156 ASP 1.29 1.35 1 157 VAL 0.61 0.45 1 158 LYS -3.85 -1.07 1 159 ILE 4.88 2.06 1 160 ILE 3.67 2.80 1 161 LYS -4.80 -0.83 1 162 ALA -5.90 -2.20 1 163 TYR 0.53 -1.29 1 165 SER -1.38 0.41 1 184 ASP -1.34 -0.63 1 187 ALA -1.54 -0.85 1 188 PHE -0.21 -0.09 1 190 GLU 1.28 -0.25 1 191 ILE 0.77 -0.18 1 192 HIS -0.28 -0.42 1 193 VAL -4.11 -1.97 1 194 ALA 1.45 0.69 1 195 GLN -5.58 -0.90 1 196 TYR -1.60 -1.03 1 198 LEU 3.58 1.22 1 199 ASP 4.38 3.04 1 200 MET 3.58 3.37 1 202 ARG 2.06 1.71 1 203 LYS 1.16 0.18 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15922_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.24 _LACS_plot.Line_1_terminator_val_y_1 5.45 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.32 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.73 _LACS_plot.Line_2_terminator_val_x_2 6.60 _LACS_plot.Line_2_terminator_val_y_2 -2.16 _LACS_plot.Y_axis_chem_shift_offset -0.03 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 28 TYR 3.18 -4.74 0 31 HIS 0.70 4.22 0 10 GLN -0.27 -1.94 1 13 ASN -6.63 5.09 1 14 VAL -3.66 3.36 1 15 TYR -1.08 1.13 1 16 LEU -2.71 0.57 1 17 GLU 2.17 -2.23 1 18 THR -4.24 3.31 1 19 SER 3.42 -0.60 1 20 MET -0.70 1.13 1 22 ILE 1.13 0.13 1 23 ILE -4.06 3.43 1 24 VAL 0.70 -1.33 1 25 LEU -2.71 0.38 1 26 GLU -4.26 2.36 1 27 LEU 1.03 -1.41 1 29 TRP 3.11 0.80 1 30 LYS 3.65 -1.78 1 32 ALA -1.26 1.02 1 34 LYS 5.50 -1.30 1 35 THR 1.86 -3.17 1 37 LYS 6.60 -1.49 1 38 ASN 2.81 1.37 1 39 PHE 2.31 1.84 1 40 ALA 3.51 -0.18 1 41 GLU 2.57 -1.02 1 42 LEU 5.48 -1.96 1 43 ALA 4.32 -2.31 1 44 ARG 4.88 -0.85 1 45 ARG 1.41 0.75 1 47 TYR 0.89 2.37 1 48 TYR -0.87 -1.08 1 49 ASN 5.79 -3.41 1 51 THR -1.14 0.82 1 52 LYS -2.85 1.54 1 53 PHE 2.93 -1.97 1 54 HIS -0.12 2.71 1 55 ARG -3.01 2.42 1 56 ILE -2.72 2.92 1 57 ILE -3.12 2.48 1 58 LYS 3.09 -0.95 1 59 ASP 4.33 -1.76 1 60 PHE 0.35 -0.75 1 61 MET -1.66 2.01 1 62 ILE -2.43 1.68 1 63 GLN -3.47 2.39 1 66 ASP -4.30 1.06 1 68 THR 0.15 0.96 1 70 THR -0.91 2.39 1 72 ARG -0.84 0.35 1 75 ALA -4.48 3.44 1 76 SER -5.51 4.89 1 77 ILE 2.77 -0.58 1 78 TYR 0.80 -0.58 1 80 LYS 0.22 0.31 1 81 GLN -0.33 0.25 1 82 PHE -4.43 2.53 1 83 GLU 0.82 -0.16 1 84 ASP 0.61 0.60 1 85 GLU -3.42 1.52 1 86 LEU 1.39 -2.42 1 87 HIS -1.58 4.50 1 89 ASP 1.89 0.05 1 90 LEU -1.15 -0.21 1 91 LYS -5.89 4.32 1 92 PHE 3.56 -2.11 1 93 THR 0.63 -0.54 1 95 ALA -1.12 1.46 1 97 ILE 2.32 -1.18 1 98 LEU -3.90 2.03 1 99 ALA -8.24 5.59 1 100 MET -0.54 -1.80 1 101 ALA -1.92 1.01 1 102 ASN -0.54 1.60 1 103 ALA -2.28 0.32 1 106 ASP 3.63 -2.05 1 107 THR -0.93 -0.83 1 108 ASN 2.57 0.58 1 110 SER 0.75 -0.72 1 111 GLN -0.27 2.77 1 112 PHE -5.54 3.32 1 113 PHE -6.51 4.48 1 114 VAL -4.41 1.67 1 115 THR -0.96 1.99 1 116 LEU -0.88 -0.18 1 117 ALA -0.92 1.22 1 119 THR -4.79 0.64 1 120 GLN 5.06 -0.84 1 121 TRP 5.55 -2.99 1 122 LEU -0.47 -0.10 1 123 ASP 4.23 -0.98 1 125 LYS -1.35 1.50 1 126 HIS -5.89 4.85 1 127 THR 2.19 0.46 1 128 ILE 1.22 -0.49 1 129 PHE -1.97 -0.39 1 131 ARG -4.43 2.84 1 132 VAL -0.05 0.63 1 134 GLN -1.28 2.38 1 136 ILE -0.41 0.08 1 138 MET 4.32 -1.83 1 139 VAL 6.47 -1.69 1 140 ASN 3.45 -0.20 1 141 ARG 4.78 -0.88 1 142 VAL 6.10 -1.54 1 144 MET -1.01 0.81 1 145 VAL 0.32 0.16 1 146 GLU 1.27 -0.35 1 147 THR -5.13 2.74 1 148 ASN -2.82 0.18 1 149 SER 3.85 -0.89 1 150 GLN 1.04 -1.00 1 151 ASP 4.43 -1.86 1 152 ARG -2.46 1.20 1 154 VAL 5.01 -1.40 1 155 ASP -2.55 1.10 1 156 ASP 1.29 0.06 1 157 VAL 0.61 -0.16 1 158 LYS -3.85 2.78 1 159 ILE 4.88 -2.82 1 160 ILE 3.67 -0.87 1 161 LYS -4.80 3.97 1 162 ALA -5.90 3.70 1 163 TYR 0.53 -1.82 1 165 SER -1.38 1.79 1 184 ASP -1.34 0.71 1 187 ALA -1.54 0.69 1 188 PHE -0.21 0.12 1 190 GLU 1.28 -1.53 1 191 ILE 0.77 -0.95 1 192 HIS -0.28 -0.14 1 193 VAL -4.11 2.14 1 194 ALA 1.45 -0.76 1 195 GLN -5.58 4.68 1 196 TYR -1.60 0.57 1 198 LEU 3.58 -2.36 1 199 ASP 4.38 -1.34 1 200 MET 3.58 -0.21 1 202 ARG 2.06 -0.35 1 203 LYS 1.16 -0.98 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15922_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -8.24 _LACS_plot.Line_1_terminator_val_y_1 0.83 _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 0.19 _LACS_plot.Line_2_terminator_val_x_2 6.60 _LACS_plot.Line_2_terminator_val_y_2 -0.58 _LACS_plot.Y_axis_chem_shift_offset -0.02 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 119 THR -4.79 -0.72 0 10 GLN -0.27 -0.21 1 13 ASN -6.63 1.45 1 14 VAL -3.66 0.36 1 15 TYR -1.08 -0.22 1 16 LEU -2.71 0.39 1 17 GLU 2.17 0.23 1 18 THR -4.24 1.43 1 19 SER 3.42 -0.18 1 20 MET -0.70 0.11 1 22 ILE 1.13 0.64 1 23 ILE -4.06 0.14 1 24 VAL 0.70 0.19 1 25 LEU -2.71 0.57 1 26 GLU -4.26 0.57 1 27 LEU 1.03 0.38 1 28 TYR 3.18 0.37 1 29 TRP 3.11 -0.68 1 30 LYS 3.65 -0.27 1 31 HIS 0.70 -0.58 1 32 ALA -1.26 0.17 1 34 LYS 5.50 -0.32 1 35 THR 1.86 -0.35 1 37 LYS 6.60 -0.15 1 38 ASN 2.81 -0.77 1 39 PHE 2.31 -0.29 1 40 ALA 3.51 -0.44 1 41 GLU 2.57 0.71 1 42 LEU 5.48 -0.74 1 43 ALA 4.32 -0.14 1 44 ARG 4.88 -0.38 1 45 ARG 1.41 -0.24 1 47 TYR 0.89 -0.65 1 48 TYR -0.87 0.20 1 49 ASN 5.79 -0.68 1 51 THR -1.14 0.15 1 52 LYS -2.85 0.77 1 53 PHE 2.93 0.39 1 54 HIS -0.12 -0.23 1 55 ARG -3.01 0.50 1 56 ILE -2.72 0.27 1 57 ILE -3.12 0.01 1 58 LYS 3.09 -0.51 1 59 ASP 4.33 -0.63 1 60 PHE 0.35 0.51 1 61 MET -1.66 0.58 1 62 ILE -2.43 0.31 1 63 GLN -3.47 0.75 1 66 ASP -4.30 0.16 1 68 THR 0.15 0.00 1 70 THR -0.91 -0.21 1 72 ARG -0.84 0.23 1 75 ALA -4.48 0.41 1 76 SER -5.51 0.24 1 77 ILE 2.77 -0.24 1 78 TYR 0.80 -0.20 1 80 LYS 0.22 0.06 1 81 GLN -0.33 0.84 1 82 PHE -4.43 0.50 1 83 GLU 0.82 -0.42 1 84 ASP 0.61 -0.47 1 85 GLU -3.42 0.19 1 86 LEU 1.39 0.16 1 87 HIS -1.58 -0.26 1 89 ASP 1.89 0.23 1 90 LEU -1.15 0.33 1 91 LYS -5.89 -0.05 1 92 PHE 3.56 -0.28 1 93 THR 0.63 -0.38 1 95 ALA -1.12 -0.78 1 97 ILE 2.32 -0.37 1 98 LEU -3.90 0.29 1 99 ALA -8.24 0.94 1 100 MET -0.54 0.82 1 101 ALA -1.92 0.21 1 102 ASN -0.54 -0.18 1 103 ALA -2.28 0.43 1 106 ASP 3.63 -0.68 1 107 THR -0.93 0.09 1 108 ASN 2.57 -0.61 1 110 SER 0.75 0.21 1 111 GLN -0.27 0.78 1 112 PHE -5.54 1.17 1 113 PHE -6.51 1.17 1 114 VAL -4.41 1.12 1 115 THR -0.96 0.36 1 116 LEU -0.88 0.21 1 117 ALA -0.92 -0.04 1 120 GLN 5.06 -0.24 1 121 TRP 5.55 -0.03 1 122 LEU -0.47 -0.07 1 123 ASP 4.23 0.08 1 125 LYS -1.35 0.09 1 126 HIS -5.89 -0.11 1 127 THR 2.19 -0.43 1 128 ILE 1.22 -0.16 1 129 PHE -1.97 0.25 1 131 ARG -4.43 0.63 1 132 VAL -0.05 -0.02 1 134 GLN -1.28 0.02 1 136 ILE -0.41 -0.25 1 138 MET 4.32 -0.18 1 139 VAL 6.47 -1.08 1 140 ASN 3.45 -0.37 1 141 ARG 4.78 -0.45 1 142 VAL 6.10 -0.61 1 144 MET -1.01 0.05 1 145 VAL 0.32 -0.04 1 146 GLU 1.27 -0.09 1 147 THR -5.13 0.69 1 148 ASN -2.82 0.14 1 149 SER 3.85 -0.20 1 150 GLN 1.04 0.15 1 151 ASP 4.43 -0.31 1 152 ARG -2.46 0.28 1 154 VAL 5.01 -0.52 1 155 ASP -2.55 0.23 1 156 ASP 1.29 -0.32 1 157 VAL 0.61 -0.07 1 158 LYS -3.85 0.55 1 159 ILE 4.88 -0.46 1 160 ILE 3.67 -0.37 1 161 LYS -4.80 0.22 1 162 ALA -5.90 1.38 1 165 SER -1.38 0.21 1 184 ASP -1.34 0.36 1 187 ALA -1.54 -0.49 1 188 PHE -0.21 -0.21 1 190 GLU 1.28 0.77 1 191 ILE 0.77 -0.12 1 192 HIS -0.28 0.01 1 193 VAL -4.11 0.18 1 194 ALA 1.45 0.23 1 195 GLN -5.58 0.00 1 196 TYR -1.60 -0.50 1 198 LEU 3.58 -0.42 1 199 ASP 4.38 -0.51 1 200 MET 3.58 -0.51 1 202 ARG 2.06 -0.55 1 203 LYS 1.16 -0.08 1 stop_ save_