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 bmr26791_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.86 _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 0.84 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.19 _LACS_plot.Line_2_terminator_val_x_2 6.45 _LACS_plot.Line_2_terminator_val_y_2 4.75 _LACS_plot.Y_axis_chem_shift_offset -0.19 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 90 PHE -0.54 -3.78 0 24 LYS -8.86 -0.61 0 10 LYS -3.68 -0.76 1 11 TYR -1.78 -0.09 1 12 PHE 0.33 1.14 1 13 LYS 2.12 0.83 1 15 ASN -5.95 -0.76 1 16 PHE -4.27 -0.96 1 17 TYR -5.56 -0.94 1 18 TYR -2.60 -1.95 1 19 PHE 0.02 -1.55 1 20 SER 0.33 0.62 1 21 LEU -1.49 -0.56 1 22 ILE -4.39 -2.25 1 25 THR -1.10 0.08 1 26 TRP 4.84 5.94 1 27 TYR 2.93 2.79 1 28 SER 3.54 2.95 1 29 ALA 2.40 2.53 1 30 GLU 4.91 1.66 1 31 GLN 4.65 3.36 1 32 PHE 5.45 3.80 1 34 VAL 5.97 4.87 1 35 SER 3.84 3.01 1 36 ARG 0.22 -1.69 1 37 ASN 3.25 1.12 1 38 SER -4.59 -1.02 1 39 HIS -6.55 0.17 1 40 LEU 0.24 1.19 1 41 THR 2.35 2.48 1 42 SER -2.68 -1.98 1 43 VAL -0.27 0.58 1 44 THR -1.27 -0.21 1 45 SER -3.13 -0.71 1 46 GLU 4.21 3.67 1 47 SER 4.39 3.31 1 48 GLU 2.72 3.42 1 49 GLN 5.66 3.46 1 50 GLU 1.68 1.69 1 51 PHE 4.18 3.04 1 52 LEU 3.92 3.40 1 53 TYR 5.62 2.59 1 54 LYS 4.70 3.35 1 55 THR 6.46 3.92 1 56 ALA 1.84 2.04 1 59 LEU -0.87 -0.97 1 60 ILE 0.77 0.10 1 61 TYR -7.06 -2.72 1 62 TRP -1.93 1.29 1 63 ILE -3.07 -1.04 1 65 LEU -4.70 -1.13 1 66 THR -2.75 -2.52 1 67 LYS -1.23 -1.07 1 68 ALA -0.76 -0.50 1 70 MET 2.36 1.92 1 71 GLU -0.05 -0.38 1 73 ASP -2.80 -1.13 1 74 TRP 0.81 0.74 1 75 SER -4.08 -1.20 1 76 TRP -5.37 -3.24 1 77 VAL 2.22 1.89 1 78 ASP -0.62 -1.49 1 79 ASP 4.37 2.42 1 80 THR 3.88 3.47 1 82 PHE 0.07 1.21 1 83 ASN -1.18 -1.33 1 84 LYS 3.95 3.98 1 85 VAL 4.69 3.79 1 86 GLN 1.55 2.23 1 87 SER 2.52 2.41 1 88 ALA 3.25 2.80 1 89 ARG 1.41 0.51 1 91 TRP -1.66 -0.18 1 92 ILE 1.39 2.77 1 95 GLU -3.43 -3.95 1 99 ALA 0.22 0.32 1 101 ASN -0.01 0.08 1 102 ASN -0.13 -0.15 1 108 ILE -0.64 0.78 1 109 LYS -2.46 0.26 1 110 ALA -2.93 -0.66 1 112 SER -3.14 -2.83 1 113 LEU 3.34 3.32 1 114 GLN 1.34 -0.52 1 115 ALA -4.08 1.12 1 116 TRP -2.87 -0.30 1 122 ASP 0.73 -0.30 1 124 THR -3.25 -3.42 1 125 PHE -5.91 -2.04 1 126 LEU 2.26 1.15 1 127 PHE -5.02 -1.20 1 128 ILE -4.66 -1.82 1 130 LYS -4.04 -0.66 1 131 ARG -3.94 -0.85 1 133 TYR -0.29 -0.10 1 134 VAL -1.72 -0.86 1 136 SER 0.26 0.22 1 137 GLU -0.40 0.24 1 140 SER 0.54 0.74 1 141 GLU 1.23 1.02 1 142 ASN 0.58 0.48 1 143 LEU 0.77 0.59 1 144 TYR 0.40 0.27 1 145 PHE 0.22 0.12 1 146 GLN 0.62 0.53 1 148 SER -0.03 0.21 1 149 ALA 0.66 0.54 1 150 TRP -0.40 -0.35 1 151 SER -0.34 -0.14 1 152 HIS 0.20 0.66 1 154 GLN 0.29 0.40 1 155 PHE -0.40 -0.27 1 156 GLU -0.76 0.03 1 157 LYS 0.88 1.62 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26791_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.86 _LACS_plot.Line_1_terminator_val_y_1 6.07 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.16 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.81 _LACS_plot.Line_2_terminator_val_x_2 6.45 _LACS_plot.Line_2_terminator_val_y_2 -1.70 _LACS_plot.Y_axis_chem_shift_offset -0.19 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 90 PHE -0.54 -3.24 0 24 LYS -8.86 8.25 0 10 LYS -3.68 2.92 1 11 TYR -1.78 1.69 1 12 PHE 0.33 0.81 1 13 LYS 2.12 -1.29 1 15 ASN -5.95 5.19 1 16 PHE -4.27 3.31 1 17 TYR -5.56 4.62 1 18 TYR -2.60 0.65 1 19 PHE 0.02 -1.57 1 20 SER 0.33 0.29 1 21 LEU -1.49 0.93 1 22 ILE -4.39 2.14 1 25 THR -1.10 1.18 1 26 TRP 4.84 1.10 1 27 TYR 2.93 -0.14 1 28 SER 3.54 -0.59 1 29 ALA 2.40 0.13 1 30 GLU 4.91 -3.25 1 31 GLN 4.65 -1.29 1 32 PHE 5.45 -1.65 1 34 VAL 5.97 -1.10 1 35 SER 3.84 -0.83 1 36 ARG 0.22 -1.91 1 37 ASN 3.25 -2.13 1 38 SER -4.59 3.57 1 39 HIS -6.55 6.72 1 40 LEU 0.24 0.95 1 41 THR 2.35 0.13 1 42 SER -2.68 0.70 1 43 VAL -0.27 0.85 1 44 THR -1.27 1.06 1 45 SER -3.13 2.42 1 46 GLU 4.21 -0.54 1 47 SER 4.39 -1.08 1 48 GLU 2.72 0.70 1 49 GLN 5.66 -2.20 1 50 GLU 1.68 0.01 1 51 PHE 4.18 -1.14 1 52 LEU 3.92 -0.52 1 53 TYR 5.62 -3.03 1 54 LYS 4.70 -1.35 1 55 THR 6.46 -2.54 1 56 ALA 1.84 0.20 1 59 LEU -0.87 -0.10 1 60 ILE 0.77 -0.67 1 61 TYR -7.06 4.34 1 62 TRP -1.93 3.22 1 63 ILE -3.07 2.03 1 65 LEU -4.70 3.57 1 66 THR -2.75 0.23 1 67 LYS -1.23 0.16 1 68 ALA -0.76 0.26 1 70 MET 2.36 -0.44 1 71 GLU -0.05 -0.33 1 73 ASP -2.80 1.67 1 74 TRP 0.81 -0.07 1 75 SER -4.08 2.88 1 76 TRP -5.37 2.13 1 77 VAL 2.22 -0.33 1 78 ASP -0.62 -0.87 1 79 ASP 4.37 -1.95 1 80 THR 3.88 -0.41 1 82 PHE 0.07 1.14 1 83 ASN -1.18 -0.15 1 84 LYS 3.95 0.03 1 85 VAL 4.69 -0.90 1 86 GLN 1.55 0.68 1 87 SER 2.52 -0.11 1 88 ALA 3.25 -0.45 1 89 ARG 1.41 -0.90 1 91 TRP -1.66 1.48 1 92 ILE 1.39 1.38 1 95 GLU -3.43 -0.52 1 99 ALA 0.22 0.10 1 101 ASN -0.01 0.09 1 102 ASN -0.13 -0.02 1 108 ILE -0.64 1.42 1 109 LYS -2.46 2.72 1 110 ALA -2.93 2.27 1 112 SER -3.14 0.31 1 113 LEU 3.34 -0.02 1 114 GLN 1.34 -1.86 1 115 ALA -4.08 5.20 1 116 TRP -2.87 2.57 1 122 ASP 0.73 -1.03 1 124 THR -3.25 -0.17 1 125 PHE -5.91 3.87 1 126 LEU 2.26 -1.11 1 127 PHE -5.02 3.82 1 128 ILE -4.66 2.84 1 130 LYS -4.04 3.38 1 131 ARG -3.94 3.09 1 133 TYR -0.29 0.19 1 134 VAL -1.72 0.86 1 136 SER 0.26 -0.04 1 137 GLU -0.40 0.64 1 140 SER 0.54 0.20 1 141 GLU 1.23 -0.21 1 142 ASN 0.58 -0.10 1 143 LEU 0.77 -0.18 1 144 TYR 0.40 -0.13 1 145 PHE 0.22 -0.10 1 146 GLN 0.62 -0.09 1 148 SER -0.03 0.24 1 149 ALA 0.66 -0.12 1 150 TRP -0.40 0.05 1 151 SER -0.34 0.20 1 152 HIS 0.20 0.46 1 154 GLN 0.29 0.11 1 155 PHE -0.40 0.13 1 156 GLU -0.76 0.79 1 157 LYS 0.88 0.74 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26791_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -8.86 _LACS_plot.Line_1_terminator_val_y_1 0.97 _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 0.32 _LACS_plot.Line_2_terminator_val_x_2 6.45 _LACS_plot.Line_2_terminator_val_y_2 -0.68 _LACS_plot.Y_axis_chem_shift_offset -0.08 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 29 ALA 2.40 -1.47 0 112 SER -3.14 -0.90 0 10 LYS -3.68 0.77 1 11 TYR -1.78 0.52 1 12 PHE 0.33 -0.71 1 13 LYS 2.12 -1.00 1 15 ASN -5.95 0.50 1 16 PHE -4.27 1.17 1 17 TYR -5.56 1.47 1 18 TYR -2.60 -0.11 1 19 PHE 0.02 -0.29 1 21 LEU -1.49 0.18 1 22 ILE -4.39 0.34 1 24 LYS -8.86 0.59 1 25 THR -1.10 1.18 1 28 SER 3.54 -0.19 1 31 GLN 4.65 -0.57 1 32 PHE 5.45 0.05 1 34 VAL 5.97 -0.17 1 35 SER 3.84 -0.09 1 37 ASN 3.25 -0.28 1 38 SER -4.59 0.48 1 39 HIS -6.55 0.43 1 44 THR -1.27 0.38 1 45 SER -3.13 0.44 1 46 GLU 4.21 -0.05 1 48 GLU 2.72 -0.23 1 49 GLN 5.66 0.01 1 51 PHE 4.18 -0.91 1 52 LEU 3.92 -0.77 1 53 TYR 5.62 -0.11 1 54 LYS 4.70 -0.58 1 55 THR 6.46 -1.00 1 56 ALA 1.84 -0.38 1 59 LEU -0.87 0.17 1 60 ILE 0.77 0.40 1 61 TYR -7.06 0.39 1 63 ILE -3.07 0.95 1 66 THR -2.75 0.77 1 68 ALA -0.76 -0.12 1 70 MET 2.36 -0.31 1 71 GLU -0.05 -0.04 1 74 TRP 0.81 -0.52 1 75 SER -4.08 0.02 1 76 TRP -5.37 1.25 1 78 ASP -0.62 -0.91 1 79 ASP 4.37 -0.13 1 82 PHE 0.07 0.21 1 83 ASN -1.18 0.17 1 85 VAL 4.69 -0.27 1 86 GLN 1.55 -0.43 1 87 SER 2.52 -0.58 1 88 ALA 3.25 0.08 1 89 ARG 1.41 -0.11 1 90 PHE -0.54 0.55 1 91 TRP -1.66 -0.01 1 95 GLU -3.43 0.39 1 101 ASN -0.01 -0.13 1 109 LYS -2.46 0.25 1 110 ALA -2.93 0.25 1 113 LEU 3.34 0.22 1 114 GLN 1.34 -0.42 1 115 ALA -4.08 0.41 1 116 TRP -2.87 0.93 1 122 ASP 0.73 0.17 1 124 THR -3.25 0.20 1 125 PHE -5.91 0.46 1 127 PHE -5.02 1.25 1 128 ILE -4.66 1.48 1 130 LYS -4.04 1.31 1 131 ARG -3.94 0.52 1 133 TYR -0.29 0.16 1 134 VAL -1.72 -0.21 1 136 SER 0.26 -0.09 1 140 SER 0.54 0.01 1 155 PHE -0.40 0.13 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26791_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -8.86 _LACS_plot.Line_1_terminator_val_y_1 -2.65 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.47 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.89 _LACS_plot.Line_2_terminator_val_x_2 6.45 _LACS_plot.Line_2_terminator_val_y_2 2.01 _LACS_plot.Y_axis_chem_shift_offset 0.16 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 76 TRP -5.37 4.06 0 10 LYS -3.68 -0.66 1 11 TYR -1.78 -0.66 1 12 PHE 0.33 -1.96 1 13 LYS 2.12 -1.58 1 15 ASN -5.95 -4.19 1 16 PHE -4.27 -0.15 1 17 TYR -5.56 -0.82 1 18 TYR -2.60 -2.83 1 19 PHE 0.02 -1.06 1 20 SER 0.33 -2.58 1 21 LEU -1.49 -0.19 1 22 ILE -4.39 -0.94 1 24 LYS -8.86 0.78 1 25 THR -1.10 -0.31 1 26 TRP 4.84 1.19 1 27 TYR 2.93 3.36 1 28 SER 3.54 2.37 1 29 ALA 2.40 -0.60 1 30 GLU 4.91 1.98 1 31 GLN 4.65 3.12 1 32 PHE 5.45 3.76 1 34 VAL 5.97 3.64 1 35 SER 3.84 -0.29 1 36 ARG 0.22 -1.38 1 37 ASN 3.25 -1.79 1 38 SER -4.59 -3.14 1 39 HIS -6.55 0.81 1 40 LEU 0.24 3.24 1 41 THR 2.35 -1.17 1 43 VAL -0.27 0.70 1 44 THR -1.27 -0.26 1 45 SER -3.13 -0.61 1 46 GLU 4.21 1.26 1 47 SER 4.39 2.23 1 48 GLU 2.72 0.02 1 49 GLN 5.66 1.62 1 50 GLU 1.68 0.15 1 51 PHE 4.18 2.72 1 52 LEU 3.92 1.13 1 53 TYR 5.62 3.55 1 54 LYS 4.70 3.43 1 55 THR 6.46 0.83 1 56 ALA 1.84 2.64 1 59 LEU -0.87 -2.05 1 60 ILE 0.77 -0.37 1 61 TYR -7.06 1.25 1 62 TRP -1.93 0.37 1 63 ILE -3.07 -0.14 1 65 LEU -4.70 -2.23 1 66 THR -2.75 -3.27 1 67 LYS -1.23 -1.10 1 68 ALA -0.76 -0.51 1 70 MET 2.36 1.29 1 71 GLU -0.05 0.32 1 73 ASP -2.80 -0.14 1 74 TRP 0.81 -1.56 1 75 SER -4.08 -3.26 1 77 VAL 2.22 -1.66 1 78 ASP -0.62 -0.20 1 79 ASP 4.37 -0.08 1 80 THR 3.88 -0.28 1 82 PHE 0.07 -0.79 1 83 ASN -1.18 0.38 1 84 LYS 3.95 1.80 1 85 VAL 4.69 2.48 1 86 GLN 1.55 1.62 1 87 SER 2.52 -0.08 1 88 ALA 3.25 1.89 1 89 ARG 1.41 -0.87 1 90 PHE -0.54 0.15 1 91 TRP -1.66 0.97 1 99 ALA 0.22 0.44 1 101 ASN -0.01 -0.05 1 108 ILE -0.64 -2.73 1 109 LYS -2.46 -0.79 1 110 ALA -2.93 -0.29 1 112 SER -3.14 -3.85 1 113 LEU 3.34 1.42 1 114 GLN 1.34 -2.86 1 115 ALA -4.08 2.17 1 116 TRP -2.87 1.49 1 122 ASP 0.73 0.45 1 124 THR -3.25 -0.70 1 125 PHE -5.91 0.70 1 126 LEU 2.26 -3.65 1 127 PHE -5.02 -3.17 1 128 ILE -4.66 0.86 1 130 LYS -4.04 -1.11 1 131 ARG -3.94 -2.48 1 133 TYR -0.29 -1.64 1 134 VAL -1.72 -1.52 1 136 SER 0.26 -0.35 1 137 GLU -0.40 -0.31 1 140 SER 0.54 0.45 1 141 GLU 1.23 -0.06 1 142 ASN 0.58 0.15 1 143 LEU 0.77 -0.43 1 144 TYR 0.40 -0.21 1 145 PHE 0.22 -0.20 1 146 GLN 0.62 0.28 1 148 SER -0.03 0.07 1 149 ALA 0.66 -0.34 1 150 TRP -0.40 0.07 1 151 SER -0.34 -1.10 1 152 HIS 0.20 0.20 1 154 GLN 0.29 -0.35 1 155 PHE -0.40 -0.28 1 156 GLU -0.76 -1.39 1 157 LYS 0.88 -4.77 1 stop_ save_