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 bmr18202_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.30 _LACS_plot.Line_1_terminator_val_y_1 -2.75 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 0.69 _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 8.36 _LACS_plot.Line_2_terminator_val_y_2 5.86 _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 99 HIS 4.21 5.46 0 116 HIS -3.82 0.96 0 155 GLN -6.76 -1.16 0 125 ILE 4.55 5.87 0 10 ILE -1.35 -0.98 1 11 GLU -6.62 -2.35 1 12 LEU -2.16 -2.25 1 14 ASP 0.79 0.79 1 15 VAL 1.44 0.00 1 16 THR -2.90 -2.98 1 18 HIS 0.32 1.88 1 19 ASN -0.31 -0.52 1 20 ILE 2.98 1.92 1 21 LYS 4.83 3.42 1 22 GLN 3.97 2.64 1 23 LEU 4.23 3.38 1 24 LYS 4.65 3.61 1 25 ARG 4.14 3.04 1 26 LEU 3.32 2.87 1 27 ASN 4.66 2.34 1 28 GLN 3.70 2.67 1 29 VAL 2.46 2.08 1 30 ILE 4.10 4.92 1 31 PHE 0.33 1.38 1 33 VAL -2.67 -1.92 1 34 SER -0.57 -0.81 1 37 ASP 4.18 3.51 1 38 LYS 3.84 2.93 1 39 PHE 4.49 3.46 1 41 LYS 3.32 2.56 1 42 ASP 4.40 2.82 1 43 VAL 3.75 2.63 1 44 LEU 2.13 1.14 1 45 GLU -0.88 -0.30 1 46 VAL 0.87 -0.34 1 48 GLU 1.53 1.36 1 49 LEU 2.52 0.92 1 50 ALA -4.52 -1.65 1 51 LYS -6.89 -2.88 1 52 LEU -4.12 -1.04 1 53 ALA -4.43 -2.24 1 54 TYR -4.34 -1.30 1 55 PHE -4.59 -1.65 1 56 ASN 3.88 1.49 1 57 ASP 3.70 2.35 1 58 ILE -1.37 -1.02 1 59 ALA 1.51 -0.30 1 60 VAL -6.21 -2.01 1 62 ALA -4.44 0.16 1 63 VAL -4.86 -4.19 1 66 ARG -4.60 -1.18 1 67 VAL 2.35 1.21 1 68 ASP -3.95 -1.23 1 69 HIS -1.05 0.25 1 70 SER -0.38 -0.17 1 71 GLN 3.82 1.36 1 72 ASN 2.37 1.26 1 73 GLN -4.39 -1.05 1 74 LYS -0.02 0.15 1 75 ARG -6.21 -2.23 1 76 LEU -1.32 -1.94 1 77 TYR -4.49 -3.51 1 78 ILE -1.28 -2.71 1 80 THR -2.74 -1.90 1 81 LEU 1.92 2.28 1 84 LEU -3.80 -2.23 1 85 ALA 4.84 3.99 1 87 TYR -0.09 -1.02 1 88 ARG 0.56 1.02 1 90 LEU -2.80 -1.53 1 92 ILE 8.36 5.32 1 95 LYS 4.74 3.53 1 97 LEU 3.75 2.08 1 98 ASN 4.32 3.06 1 100 VAL 5.86 4.35 1 101 LEU 5.66 3.38 1 102 ASN 3.83 3.32 1 105 GLU 3.21 2.74 1 106 LYS 3.20 2.16 1 107 ASP 0.51 2.63 1 109 THR 0.35 0.06 1 110 PHE 1.09 1.47 1 111 ASP 0.97 3.24 1 112 ASN -2.71 -0.16 1 114 TYR -5.16 -1.95 1 115 LEU -0.35 0.47 1 118 GLN 1.21 1.84 1 120 SER -0.02 -0.51 1 121 ASN 0.73 -1.81 1 122 GLU 3.27 3.17 1 123 SER 4.34 2.97 1 124 ALA 1.56 2.31 1 126 ASP 3.90 3.60 1 127 PHE 4.20 3.29 1 128 TYR 7.45 5.54 1 129 ARG 5.28 4.03 1 130 LYS 4.61 2.82 1 131 PHE 0.05 0.05 1 133 PHE 0.14 0.44 1 134 GLU -6.14 -2.77 1 135 ILE 2.34 1.50 1 136 ILE -0.67 -0.08 1 137 GLU -3.84 -0.92 1 138 THR 0.28 1.15 1 139 LYS -2.40 -2.53 1 140 LYS 0.16 -1.10 1 141 ASN 3.55 1.46 1 142 TYR 1.48 3.10 1 143 TYR -1.63 -0.51 1 145 ARG 2.53 1.36 1 146 ILE -2.87 -1.02 1 147 GLU -4.81 -1.60 1 149 ALA -1.06 0.45 1 150 ASP -0.28 0.33 1 151 ALA -7.30 -2.47 1 152 HIS -4.52 -0.25 1 153 VAL 0.27 -0.65 1 154 LEU -3.84 -2.42 1 156 LYS -2.95 -2.07 1 157 ASN 0.96 0.62 1 158 LEU 0.11 -0.28 1 159 LYS -0.59 -0.72 1 160 VAL 0.43 -0.06 1 162 SER 0.18 0.23 1 164 GLN -0.08 0.02 1 165 ASN 0.11 0.20 1 166 ALA 0.38 1.08 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18202_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.30 _LACS_plot.Line_1_terminator_val_y_1 4.55 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -1.30 _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 8.36 _LACS_plot.Line_2_terminator_val_y_2 -2.50 _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 99 HIS 4.21 1.25 0 116 HIS -3.82 4.78 0 155 GLN -6.76 5.60 0 125 ILE 4.55 1.32 0 10 ILE -1.35 0.37 1 11 GLU -6.62 4.27 1 12 LEU -2.16 -0.09 1 14 ASP 0.79 0.00 1 15 VAL 1.44 -1.44 1 16 THR -2.90 -0.08 1 18 HIS 0.32 1.56 1 19 ASN -0.31 -0.21 1 20 ILE 2.98 -1.06 1 21 LYS 4.83 -1.41 1 22 GLN 3.97 -1.33 1 23 LEU 4.23 -0.85 1 24 LYS 4.65 -1.04 1 25 ARG 4.14 -1.10 1 26 LEU 3.32 -0.45 1 27 ASN 4.66 -2.32 1 28 GLN 3.70 -1.03 1 29 VAL 2.46 -0.38 1 30 ILE 4.10 0.82 1 31 PHE 0.33 1.05 1 33 VAL -2.67 0.75 1 34 SER -0.57 -0.24 1 37 ASP 4.18 -0.67 1 38 LYS 3.84 -0.91 1 39 PHE 4.49 -1.03 1 41 LYS 3.32 -0.76 1 42 ASP 4.40 -1.58 1 43 VAL 3.75 -1.12 1 44 LEU 2.13 -0.99 1 45 GLU -0.88 0.58 1 46 VAL 0.87 -1.21 1 48 GLU 1.53 -0.17 1 49 LEU 2.52 -1.60 1 50 ALA -4.52 2.87 1 51 LYS -6.89 4.01 1 52 LEU -4.12 3.08 1 53 ALA -4.43 2.19 1 54 TYR -4.34 3.04 1 55 PHE -4.59 2.94 1 56 ASN 3.88 -2.39 1 57 ASP 3.70 -1.35 1 58 ILE -1.37 0.35 1 59 ALA 1.51 -1.81 1 60 VAL -6.21 4.20 1 62 ALA -4.44 4.60 1 63 VAL -4.86 0.67 1 66 ARG -4.60 3.42 1 67 VAL 2.35 -1.14 1 68 ASP -3.95 2.72 1 69 HIS -1.05 1.30 1 70 SER -0.38 0.21 1 71 GLN 3.82 -2.46 1 72 ASN 2.37 -1.11 1 73 GLN -4.39 3.34 1 74 LYS -0.02 0.17 1 75 ARG -6.21 3.98 1 76 LEU -1.32 -0.62 1 77 TYR -4.49 0.98 1 78 ILE -1.28 -1.43 1 80 THR -2.74 0.84 1 81 LEU 1.92 0.36 1 84 LEU -3.80 1.57 1 85 ALA 4.84 -0.85 1 87 TYR -0.09 -0.93 1 88 ARG 0.56 0.46 1 90 LEU -2.80 1.27 1 92 ILE 8.36 -3.04 1 95 LYS 4.74 -1.21 1 97 LEU 3.75 -1.67 1 98 ASN 4.32 -1.26 1 100 VAL 5.86 -1.51 1 101 LEU 5.66 -2.28 1 102 ASN 3.83 -0.51 1 105 GLU 3.21 -0.47 1 106 LYS 3.20 -1.04 1 107 ASP 0.51 2.12 1 109 THR 0.35 -0.29 1 110 PHE 1.09 0.38 1 111 ASP 0.97 2.27 1 112 ASN -2.71 2.55 1 114 TYR -5.16 3.21 1 115 LEU -0.35 0.82 1 118 GLN 1.21 0.63 1 120 SER -0.02 -0.49 1 121 ASN 0.73 -2.54 1 122 GLU 3.27 -0.10 1 123 SER 4.34 -1.37 1 124 ALA 1.56 0.75 1 126 ASP 3.90 -0.30 1 127 PHE 4.20 -0.91 1 128 TYR 7.45 -1.91 1 129 ARG 5.28 -1.25 1 130 LYS 4.61 -1.79 1 131 PHE 0.05 0.00 1 133 PHE 0.14 0.30 1 134 GLU -6.14 3.37 1 135 ILE 2.34 -0.84 1 136 ILE -0.67 0.59 1 137 GLU -3.84 2.92 1 138 THR 0.28 0.87 1 139 LYS -2.40 -0.13 1 140 LYS 0.16 -1.26 1 141 ASN 3.55 -2.09 1 142 TYR 1.48 1.62 1 143 TYR -1.63 1.12 1 145 ARG 2.53 -1.17 1 146 ILE -2.87 1.85 1 147 GLU -4.81 3.21 1 149 ALA -1.06 1.51 1 150 ASP -0.28 0.61 1 151 ALA -7.30 4.83 1 152 HIS -4.52 4.27 1 153 VAL 0.27 -0.92 1 154 LEU -3.84 1.42 1 156 LYS -2.95 0.88 1 157 ASN 0.96 -0.34 1 158 LEU 0.11 -0.39 1 159 LYS -0.59 -0.13 1 160 VAL 0.43 -0.49 1 162 SER 0.18 0.05 1 164 GLN -0.08 0.10 1 165 ASN 0.11 0.09 1 166 ALA 0.38 0.70 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18202_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.30 _LACS_plot.Line_1_terminator_val_y_1 -2.70 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 0.53 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.10 _LACS_plot.Line_2_terminator_val_x_2 8.36 _LACS_plot.Line_2_terminator_val_y_2 3.18 _LACS_plot.Y_axis_chem_shift_offset 0.22 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 49 LEU 2.52 -3.44 0 166 ALA 0.38 4.57 0 10 ILE -1.35 -0.75 1 11 GLU -6.62 -2.25 1 12 LEU -2.16 -0.19 1 14 ASP 0.79 0.14 1 15 VAL 1.44 -1.13 1 16 THR -2.90 -1.33 1 18 HIS 0.32 2.45 1 19 ASN -0.31 3.05 1 20 ILE 2.98 0.24 1 21 LYS 4.83 2.60 1 22 GLN 3.97 2.23 1 23 LEU 4.23 -0.06 1 24 LYS 4.65 1.82 1 25 ARG 4.14 2.39 1 26 LEU 3.32 1.30 1 27 ASN 4.66 3.85 1 28 GLN 3.70 1.28 1 29 VAL 2.46 1.58 1 30 ILE 4.10 2.47 1 33 VAL -2.67 -1.97 1 34 SER -0.57 -0.93 1 37 ASP 4.18 2.51 1 38 LYS 3.84 0.80 1 39 PHE 4.49 3.51 1 41 LYS 3.32 2.46 1 42 ASP 4.40 3.61 1 43 VAL 3.75 0.08 1 44 LEU 2.13 0.54 1 45 GLU -0.88 1.31 1 46 VAL 0.87 1.05 1 48 GLU 1.53 -1.26 1 50 ALA -4.52 -1.90 1 51 LYS -6.89 -0.89 1 52 LEU -4.12 -2.88 1 53 ALA -4.43 -2.61 1 54 TYR -4.34 -1.29 1 55 PHE -4.59 -0.54 1 56 ASN 3.88 -0.95 1 57 ASP 3.70 -1.51 1 58 ILE -1.37 -0.71 1 59 ALA 1.51 -0.91 1 60 VAL -6.21 -1.87 1 62 ALA -4.44 -2.07 1 63 VAL -4.86 -3.54 1 66 ARG -4.60 -2.57 1 67 VAL 2.35 -1.28 1 68 ASP -3.95 -1.56 1 69 HIS -1.05 0.99 1 70 SER -0.38 -0.20 1 71 GLN 3.82 -0.63 1 72 ASN 2.37 -0.78 1 73 GLN -4.39 -1.93 1 74 LYS -0.02 -1.60 1 75 ARG -6.21 -1.84 1 76 LEU -1.32 -3.83 1 77 TYR -4.49 -0.08 1 78 ILE -1.28 -3.77 1 80 THR -2.74 -2.31 1 81 LEU 1.92 -1.60 1 84 LEU -3.80 -1.52 1 85 ALA 4.84 -1.72 1 87 TYR -0.09 -2.84 1 88 ARG 0.56 -1.17 1 90 LEU -2.80 0.46 1 92 ILE 8.36 1.64 1 95 LYS 4.74 3.63 1 97 LEU 3.75 1.21 1 98 ASN 4.32 2.96 1 99 HIS 4.21 2.60 1 100 VAL 5.86 1.71 1 101 LEU 5.66 2.05 1 102 ASN 3.83 2.52 1 105 GLU 3.21 1.84 1 106 LYS 3.20 1.18 1 107 ASP 0.51 1.43 1 109 THR 0.35 0.34 1 110 PHE 1.09 0.19 1 111 ASP 0.97 0.74 1 112 ASN -2.71 -3.43 1 114 TYR -5.16 -4.73 1 115 LEU -0.35 -3.49 1 116 HIS -3.82 1.53 1 118 GLN 1.21 0.88 1 120 SER -0.02 0.42 1 121 ASN 0.73 -0.24 1 122 GLU 3.27 1.76 1 123 SER 4.34 2.55 1 124 ALA 1.56 0.84 1 125 ILE 4.55 1.10 1 126 ASP 3.90 1.89 1 127 PHE 4.20 0.41 1 128 TYR 7.45 4.57 1 129 ARG 5.28 4.24 1 130 LYS 4.61 0.85 1 131 PHE 0.05 -0.13 1 133 PHE 0.14 -0.74 1 134 GLU -6.14 -0.87 1 135 ILE 2.34 1.05 1 136 ILE -0.67 -0.78 1 137 GLU -3.84 -2.59 1 138 THR 0.28 -1.06 1 139 LYS -2.40 -1.28 1 140 LYS 0.16 1.46 1 141 ASN 3.55 -1.79 1 142 TYR 1.48 0.72 1 143 TYR -1.63 -0.11 1 145 ARG 2.53 -0.86 1 146 ILE -2.87 -2.91 1 147 GLU -4.81 0.10 1 149 ALA -1.06 -0.24 1 150 ASP -0.28 -1.73 1 151 ALA -7.30 -0.41 1 152 HIS -4.52 1.63 1 153 VAL 0.27 -0.46 1 154 LEU -3.84 -1.44 1 155 GLN -6.76 -1.73 1 156 LYS -2.95 -1.82 1 157 ASN 0.96 0.02 1 158 LEU 0.11 -0.75 1 159 LYS -0.59 -0.63 1 160 VAL 0.43 -0.29 1 162 SER 0.18 0.66 1 164 GLN -0.08 -1.11 1 165 ASN 0.11 -1.47 1 stop_ save_