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 bmr16258_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.54 _LACS_plot.Line_1_terminator_val_y_1 -3.98 _LACS_plot.Line_1_terminator_val_x_2 1.99 _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 -1.54 _LACS_plot.Line_2_terminator_val_x_2 9.14 _LACS_plot.Line_2_terminator_val_y_2 6.36 _LACS_plot.Y_axis_chem_shift_offset 0.14 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 83 ALA -7.54 -3.01 0 122 ILE 2.71 -1.45 0 106 ILE -6.68 -1.74 0 10 ALA -0.20 -0.16 1 13 SER -1.69 -0.67 1 14 VAL -3.65 -2.05 1 15 TYR -3.77 -1.71 1 16 PHE -4.20 -3.34 1 19 SER 0.39 0.40 1 20 ILE 0.72 0.22 1 21 ARG 2.29 0.96 1 24 ARG 2.72 1.47 1 25 GLU 3.63 2.32 1 26 ASP 2.13 0.92 1 27 GLN 5.44 3.80 1 28 ALA 3.87 2.13 1 29 LEU 4.15 2.48 1 30 TYR 4.58 1.92 1 31 ALA 4.13 2.41 1 32 ARG 3.38 3.01 1 33 ILE 6.53 4.66 1 34 VAL 6.88 5.02 1 35 SER 4.71 3.70 1 36 ARG 2.17 0.11 1 37 LEU 3.36 2.54 1 38 ARG 2.91 1.78 1 39 ARG 3.57 1.60 1 40 TYR -0.71 -0.17 1 42 LYS -0.75 -0.96 1 43 VAL 1.46 -0.87 1 44 LEU 0.84 -0.58 1 45 THR -0.74 -0.77 1 46 GLU -0.12 -0.19 1 47 HIS 1.03 1.11 1 48 VAL -0.06 -0.36 1 49 ALA -0.25 -0.29 1 50 ASP 0.47 0.25 1 51 ALA 0.56 0.40 1 52 GLU 0.31 -0.12 1 53 LEU -0.20 -0.48 1 54 GLU 0.02 0.09 1 56 LEU 0.33 -0.08 1 58 GLU 0.45 0.13 1 59 GLU 0.87 0.24 1 60 ALA 0.29 -0.07 1 61 ALA 0.50 0.09 1 64 ASP 3.97 3.01 1 65 GLN 4.54 2.94 1 66 PHE 3.57 2.46 1 67 ILE 4.02 2.28 1 69 GLU 2.50 1.89 1 70 GLN 2.73 1.86 1 72 LEU 3.53 1.00 1 73 ASN 4.13 2.87 1 74 TRP 1.66 0.98 1 75 LEU 4.33 3.13 1 76 GLN 4.32 3.08 1 77 GLN 0.38 0.50 1 78 ALA -0.99 0.03 1 79 ASP 0.45 2.18 1 80 VAL -4.65 -2.19 1 81 VAL -1.35 -1.43 1 82 VAL -3.32 -2.52 1 84 GLU 0.13 0.11 1 85 VAL 0.63 -2.30 1 86 THR 8.81 5.83 1 87 GLN -0.94 -1.80 1 89 SER -1.90 -1.50 1 90 LEU 1.06 2.30 1 92 VAL 4.29 3.18 1 94 TYR 4.23 3.86 1 95 GLU 4.49 3.61 1 96 LEU 3.10 2.58 1 98 ARG 4.36 0.31 1 99 ALA 3.17 2.67 1 100 VAL 5.29 3.46 1 101 ALA 2.83 1.87 1 102 LEU -0.77 -0.29 1 104 LYS -0.51 -2.06 1 107 LEU -2.25 -2.24 1 109 LEU -2.88 -1.83 1 110 PHE -5.41 -1.74 1 111 ARG -1.86 -2.05 1 113 GLN 2.81 1.44 1 114 SER 1.37 1.85 1 116 ARG -1.23 -0.92 1 117 VAL -1.06 -1.03 1 118 LEU 2.56 -0.55 1 119 SER -0.75 0.23 1 120 ALA 2.90 2.43 1 121 MET 2.66 0.57 1 123 ARG 5.05 3.24 1 125 ALA 1.19 -0.91 1 126 ALA 0.62 -0.10 1 127 ASP -2.06 -1.35 1 129 SER 0.83 0.35 1 130 ARG 3.43 2.48 1 131 PHE -2.34 -1.75 1 132 GLN -3.91 -1.20 1 133 VAL -0.96 -1.44 1 134 TRP -5.35 -3.64 1 135 ASP -1.29 -0.88 1 136 TYR -5.39 -1.92 1 137 ALA -3.85 -2.95 1 138 GLU 4.81 3.93 1 140 GLU -2.15 -1.55 1 141 VAL 6.09 4.57 1 142 GLU 9.15 6.01 1 143 THR 4.85 3.69 1 144 MET 3.91 2.34 1 145 LEU 4.23 2.78 1 146 ASP 4.81 3.26 1 147 ARG 4.07 2.97 1 148 TYR 5.83 4.45 1 149 PHE 7.79 5.34 1 150 GLU 3.20 2.15 1 151 ALA 0.29 0.28 1 152 TYR 1.00 1.36 1 153 LEU 2.78 1.60 1 155 GLN 0.95 0.27 1 156 LYS 1.35 0.29 1 157 THR 0.29 0.16 1 158 ALA 0.28 -0.01 1 159 SER 0.29 -0.07 1 162 HIS -0.11 0.29 1 164 SER -0.38 -0.10 1 165 ALA 0.25 1.27 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr16258_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.54 _LACS_plot.Line_1_terminator_val_y_1 3.56 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -1.15 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.46 _LACS_plot.Line_2_terminator_val_x_2 9.14 _LACS_plot.Line_2_terminator_val_y_2 -2.78 _LACS_plot.Y_axis_chem_shift_offset 0.14 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 83 ALA -7.54 4.53 0 122 ILE 2.71 -4.16 0 106 ILE -6.68 4.94 0 10 ALA -0.20 0.04 1 13 SER -1.69 1.02 1 14 VAL -3.65 1.60 1 15 TYR -3.77 2.06 1 16 PHE -4.20 0.86 1 19 SER 0.39 0.01 1 20 ILE 0.72 -0.50 1 21 ARG 2.29 -1.33 1 24 ARG 2.72 -1.25 1 25 GLU 3.63 -1.31 1 26 ASP 2.13 -1.21 1 27 GLN 5.44 -1.64 1 28 ALA 3.87 -1.74 1 29 LEU 4.15 -1.67 1 30 TYR 4.58 -2.66 1 31 ALA 4.13 -1.72 1 32 ARG 3.38 -0.37 1 33 ILE 6.53 -1.87 1 34 VAL 6.88 -1.86 1 35 SER 4.71 -1.01 1 36 ARG 2.17 -2.06 1 37 LEU 3.36 -0.82 1 38 ARG 2.91 -1.13 1 39 ARG 3.57 -1.97 1 40 TYR -0.71 0.54 1 42 LYS -0.75 -0.21 1 43 VAL 1.46 -2.33 1 44 LEU 0.84 -1.42 1 45 THR -0.74 -0.03 1 46 GLU -0.12 -0.07 1 47 HIS 1.03 0.08 1 48 VAL -0.06 -0.30 1 49 ALA -0.25 -0.04 1 50 ASP 0.47 -0.22 1 51 ALA 0.56 -0.16 1 52 GLU 0.31 -0.43 1 53 LEU -0.20 -0.28 1 54 GLU 0.02 0.07 1 56 LEU 0.33 -0.41 1 58 GLU 0.45 -0.32 1 59 GLU 0.87 -0.63 1 60 ALA 0.29 -0.36 1 61 ALA 0.50 -0.41 1 64 ASP 3.97 -0.96 1 65 GLN 4.54 -1.60 1 66 PHE 3.57 -1.11 1 67 ILE 4.02 -1.74 1 69 GLU 2.50 -0.61 1 70 GLN 2.73 -0.87 1 72 LEU 3.53 -2.53 1 73 ASN 4.13 -1.26 1 74 TRP 1.66 -0.68 1 75 LEU 4.33 -1.20 1 76 GLN 4.32 -1.24 1 77 GLN 0.38 0.12 1 78 ALA -0.99 1.02 1 79 ASP 0.45 1.73 1 80 VAL -4.65 2.46 1 81 VAL -1.35 -0.08 1 82 VAL -3.32 0.80 1 84 GLU 0.13 -0.02 1 85 VAL 0.63 -2.93 1 86 THR 8.81 -2.98 1 87 GLN -0.94 -0.86 1 89 SER -1.90 0.40 1 90 LEU 1.06 1.24 1 92 VAL 4.29 -1.11 1 94 TYR 4.23 -0.37 1 95 GLU 4.49 -0.88 1 96 LEU 3.10 -0.52 1 98 ARG 4.36 -4.05 1 99 ALA 3.17 -0.50 1 100 VAL 5.29 -1.83 1 101 ALA 2.83 -0.96 1 102 LEU -0.77 0.48 1 104 LYS -0.51 -1.55 1 107 LEU -2.25 0.01 1 109 LEU -2.88 1.05 1 110 PHE -5.41 3.67 1 111 ARG -1.86 -0.19 1 113 GLN 2.81 -1.37 1 114 SER 1.37 0.48 1 116 ARG -1.23 0.31 1 117 VAL -1.06 0.03 1 118 LEU 2.56 -3.11 1 119 SER -0.75 0.98 1 120 ALA 2.90 -0.47 1 121 MET 2.66 -2.09 1 123 ARG 5.05 -1.81 1 125 ALA 1.19 -2.10 1 126 ALA 0.62 -0.72 1 127 ASP -2.06 0.71 1 129 SER 0.83 -0.48 1 130 ARG 3.43 -0.95 1 131 PHE -2.34 0.59 1 132 GLN -3.91 2.71 1 133 VAL -0.96 -0.48 1 134 TRP -5.35 1.71 1 135 ASP -1.29 0.41 1 136 TYR -5.39 3.47 1 137 ALA -3.85 0.90 1 138 GLU 4.81 -0.88 1 140 GLU -2.15 0.60 1 141 VAL 6.09 -1.52 1 142 GLU 9.15 -3.14 1 143 THR 4.85 -1.16 1 144 MET 3.91 -1.57 1 145 LEU 4.23 -1.45 1 146 ASP 4.81 -1.55 1 147 ARG 4.07 -1.10 1 148 TYR 5.83 -1.38 1 149 PHE 7.79 -2.45 1 150 GLU 3.20 -1.05 1 151 ALA 0.29 -0.01 1 152 TYR 1.00 0.36 1 153 LEU 2.78 -1.18 1 155 GLN 0.95 -0.68 1 156 LYS 1.35 -1.06 1 157 THR 0.29 -0.13 1 158 ALA 0.28 -0.29 1 159 SER 0.29 -0.36 1 162 HIS -0.11 0.40 1 164 SER -0.38 0.28 1 165 ALA 0.25 1.02 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr16258_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.54 _LACS_plot.Line_1_terminator_val_y_1 0.66 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -0.27 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.13 _LACS_plot.Line_2_terminator_val_x_2 9.14 _LACS_plot.Line_2_terminator_val_y_2 -0.98 _LACS_plot.Y_axis_chem_shift_offset 0.07 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 125 ALA 1.19 -1.88 0 10 ALA -0.20 -0.11 1 13 SER -1.69 0.76 1 14 VAL -3.65 0.58 1 16 PHE -4.20 1.10 1 19 SER 0.39 0.03 1 20 ILE 0.72 0.14 1 21 ARG 2.29 -0.17 1 24 ARG 2.72 -0.25 1 25 GLU 3.63 -0.34 1 26 ASP 2.13 -0.12 1 27 GLN 5.44 -0.64 1 28 ALA 3.87 -0.25 1 29 LEU 4.15 -0.29 1 30 TYR 4.58 -0.50 1 31 ALA 4.13 -0.32 1 32 ARG 3.38 -0.42 1 33 ILE 6.53 -1.05 1 34 VAL 6.88 -1.17 1 35 SER 4.71 -0.60 1 36 ARG 2.17 -0.27 1 37 LEU 3.36 -0.72 1 38 ARG 2.91 0.00 1 39 ARG 3.57 -0.60 1 40 TYR -0.71 -0.23 1 42 LYS -0.75 -0.11 1 43 VAL 1.46 0.30 1 44 LEU 0.84 0.16 1 45 THR -0.74 -0.09 1 47 HIS 1.03 -0.18 1 48 VAL -0.06 -0.10 1 49 ALA -0.25 -0.04 1 50 ASP 0.47 -0.20 1 51 ALA 0.56 -0.19 1 52 GLU 0.31 -0.20 1 53 LEU -0.20 -0.11 1 54 GLU 0.02 -0.16 1 56 LEU 0.33 -0.10 1 58 GLU 0.45 -0.21 1 59 GLU 0.87 -0.28 1 60 ALA 0.29 -0.19 1 61 ALA 0.50 -0.19 1 64 ASP 3.97 -0.40 1 65 GLN 4.54 -0.20 1 66 PHE 3.57 -0.45 1 67 ILE 4.02 -0.74 1 69 GLU 2.50 -0.67 1 70 GLN 2.73 -0.91 1 72 LEU 3.53 -0.57 1 73 ASN 4.13 -0.47 1 74 TRP 1.66 -0.16 1 75 LEU 4.33 -1.05 1 76 GLN 4.32 -0.68 1 77 GLN 0.38 -0.21 1 78 ALA -0.99 -0.46 1 79 ASP 0.45 0.03 1 80 VAL -4.65 0.22 1 81 VAL -1.35 0.68 1 82 VAL -3.32 0.83 1 83 ALA -7.54 0.62 1 84 GLU 0.13 0.59 1 85 VAL 0.63 0.31 1 86 THR 8.81 -0.20 1 87 GLN -0.94 0.09 1 89 SER -1.90 0.16 1 90 LEU 1.06 -0.07 1 92 VAL 4.29 -0.18 1 94 TYR 4.23 -0.50 1 95 GLU 4.49 -0.93 1 96 LEU 3.10 -0.51 1 99 ALA 3.17 -0.68 1 100 VAL 5.29 -0.32 1 101 ALA 2.83 -0.36 1 102 LEU -0.77 -0.15 1 104 LYS -0.51 -0.21 1 106 ILE -6.68 0.51 1 107 LEU -2.25 -0.10 1 109 LEU -2.88 0.78 1 110 PHE -5.41 0.23 1 111 ARG -1.86 0.15 1 113 GLN 2.81 -0.28 1 114 SER 1.37 -0.43 1 116 ARG -1.23 0.11 1 117 VAL -1.06 0.06 1 118 LEU 2.56 -0.62 1 119 SER -0.75 -0.41 1 120 ALA 2.90 -0.47 1 121 MET 2.66 -0.35 1 122 ILE 2.71 -0.78 1 123 ARG 5.05 -0.79 1 126 ALA 0.62 -0.49 1 127 ASP -2.06 0.03 1 129 SER 0.83 0.02 1 130 ARG 3.43 -0.18 1 131 PHE -2.34 0.26 1 132 GLN -3.91 0.67 1 133 VAL -0.96 0.41 1 134 TRP -5.35 0.55 1 135 ASP -1.29 1.38 1 136 TYR -5.39 0.42 1 137 ALA -3.85 -0.04 1 138 GLU 4.81 -0.57 1 140 GLU -2.15 0.40 1 141 VAL 6.09 -0.70 1 142 GLU 9.15 -0.76 1 143 THR 4.85 -0.35 1 144 MET 3.91 -0.16 1 145 LEU 4.23 -0.42 1 146 ASP 4.81 -0.33 1 147 ARG 4.07 -0.29 1 148 TYR 5.83 -0.55 1 149 PHE 7.79 -0.61 1 150 GLU 3.20 -0.32 1 151 ALA 0.29 -0.10 1 152 TYR 1.00 -0.41 1 153 LEU 2.78 -0.54 1 155 GLN 0.95 -0.16 1 156 LYS 1.35 -0.12 1 157 THR 0.29 -0.17 1 158 ALA 0.28 -0.10 1 162 HIS -0.11 -0.19 1 164 SER -0.38 -0.13 1 165 ALA 0.25 -0.28 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr16258_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.54 _LACS_plot.Line_1_terminator_val_y_1 -3.61 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 0.77 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.95 _LACS_plot.Line_2_terminator_val_x_2 9.14 _LACS_plot.Line_2_terminator_val_y_2 3.44 _LACS_plot.Y_axis_chem_shift_offset 0.15 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 156 LYS 1.35 -120.11 0 13 SER -1.69 -0.95 1 14 VAL -3.65 -2.42 1 15 TYR -3.77 -2.56 1 16 PHE -4.20 -1.74 1 21 ARG 2.29 0.82 1 24 ARG 2.72 1.88 1 25 GLU 3.63 1.40 1 26 ASP 2.13 0.16 1 27 GLN 5.44 1.02 1 28 ALA 3.87 2.77 1 29 LEU 4.15 1.15 1 30 TYR 4.58 1.84 1 31 ALA 4.13 3.08 1 32 ARG 3.38 3.62 1 33 ILE 6.53 0.65 1 34 VAL 6.88 0.86 1 35 SER 4.71 2.18 1 36 ARG 2.17 1.75 1 37 LEU 3.36 0.85 1 38 ARG 2.91 1.60 1 39 ARG 3.57 0.69 1 40 TYR -0.71 -0.90 1 42 LYS -0.75 -0.93 1 43 VAL 1.46 -0.30 1 47 HIS 1.03 0.71 1 48 VAL -0.06 -0.60 1 49 ALA -0.25 -0.63 1 50 ASP 0.47 -0.18 1 51 ALA 0.56 0.04 1 52 GLU 0.31 -0.14 1 53 LEU -0.20 -0.54 1 56 LEU 0.33 0.46 1 58 GLU 0.45 0.27 1 59 GLU 0.87 -0.10 1 61 ALA 0.50 0.35 1 64 ASP 3.97 1.27 1 65 GLN 4.54 1.49 1 66 PHE 3.57 1.07 1 70 GLN 2.73 3.28 1 72 LEU 3.53 0.72 1 73 ASN 4.13 2.99 1 75 LEU 4.33 0.96 1 76 GLN 4.32 2.62 1 77 GLN 0.38 0.22 1 78 ALA -0.99 -1.07 1 79 ASP 0.45 -0.56 1 80 VAL -4.65 -0.98 1 81 VAL -1.35 -3.21 1 82 VAL -3.32 -2.78 1 83 ALA -7.54 -47.47 1 84 GLU 0.13 1.07 1 85 VAL 0.63 -2.05 1 86 THR 8.81 1.05 1 89 SER -1.90 1.01 1 90 LEU 1.06 1.57 1 92 VAL 4.29 2.17 1 94 TYR 4.23 1.56 1 95 GLU 4.49 1.99 1 96 LEU 3.10 1.43 1 98 ARG 4.36 3.39 1 99 ALA 3.17 1.85 1 100 VAL 5.29 4.16 1 101 ALA 2.83 1.51 1 102 LEU -0.77 -0.29 1 106 ILE -6.68 -0.86 1 107 LEU -2.25 -3.40 1 109 LEU -2.88 -3.10 1 110 PHE -5.41 -3.57 1 113 GLN 2.81 -0.06 1 114 SER 1.37 1.15 1 116 ARG -1.23 -0.93 1 117 VAL -1.06 -0.32 1 118 LEU 2.56 -1.98 1 119 SER -0.75 1.18 1 120 ALA 2.90 1.93 1 121 MET 2.66 -0.69 1 122 ILE 2.71 0.71 1 123 ARG 5.05 3.34 1 125 ALA 1.19 -0.89 1 126 ALA 0.62 -0.27 1 127 ASP -2.06 1.49 1 129 SER 0.83 -0.42 1 130 ARG 3.43 -0.78 1 131 PHE -2.34 -0.74 1 133 VAL -0.96 -1.86 1 134 TRP -5.35 -1.53 1 135 ASP -1.29 0.72 1 136 TYR -5.39 -3.58 1 137 ALA -3.85 0.76 1 138 GLU 4.81 1.02 1 140 GLU -2.15 1.22 1 141 VAL 6.09 -0.85 1 142 GLU 9.15 0.72 1 143 THR 4.85 2.56 1 144 MET 3.91 1.93 1 145 LEU 4.23 1.17 1 146 ASP 4.81 1.83 1 147 ARG 4.07 3.25 1 148 TYR 5.83 2.30 1 149 PHE 7.79 1.77 1 150 GLU 3.20 1.09 1 151 ALA 0.29 0.39 1 152 TYR 1.00 -0.20 1 155 GLN 0.95 0.64 1 157 THR 0.29 -0.12 1 164 SER -0.38 -1.27 1 stop_ save_