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 bmr15253_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.30 _LACS_plot.Line_1_terminator_val_y_1 -2.30 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.42 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.55 _LACS_plot.Line_2_terminator_val_x_2 8.09 _LACS_plot.Line_2_terminator_val_y_2 5.52 _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 64 MET 1.45 -3.37 0 12 ASN 8.10 2.23 1 13 ARG 6.19 2.43 1 14 VAL 1.41 1.49 1 17 ARG -0.98 -0.92 1 18 ASP 0.25 -0.75 1 20 GLU -4.77 -3.07 1 21 LEU -0.05 -0.94 1 25 SER 2.64 3.01 1 28 ALA 2.23 2.31 1 29 ASP 4.86 4.69 1 30 LYS 4.56 2.74 1 31 LYS 3.65 2.76 1 32 GLN 6.35 2.26 1 33 TYR -0.62 2.17 1 34 ARG -1.60 -3.85 1 35 SER 3.16 2.41 1 36 ARG 3.32 2.27 1 37 VAL -2.66 -1.72 1 38 ALA 1.96 2.61 1 39 ASP -2.10 -0.62 1 40 ASP -2.59 1.48 1 42 VAL -5.81 -4.45 1 43 VAL -1.83 -2.05 1 44 LEU -3.28 -1.88 1 46 ARG 5.22 4.25 1 47 THR 6.84 4.77 1 48 THR 7.35 5.31 1 49 PHE 5.12 4.40 1 50 GLU 3.47 2.35 1 51 SER 2.71 2.36 1 52 MET -0.29 0.07 1 53 ARG 3.87 2.74 1 54 ASP 1.28 0.53 1 55 ASP 0.20 -1.04 1 56 LEU 0.17 0.31 1 59 SER 0.52 0.18 1 60 ALA -4.78 -1.53 1 61 GLN 0.83 -0.29 1 62 ILE 1.43 -0.37 1 63 VAL -0.23 -1.83 1 65 SER -1.31 -1.07 1 68 GLU 0.66 0.00 1 69 ARG -1.24 -0.75 1 70 SER -1.47 -0.82 1 71 PHE -1.87 -0.50 1 72 SER 1.81 1.34 1 73 VAL -1.45 -1.03 1 74 ASP -4.31 -4.65 1 75 THR 0.54 -0.49 1 76 ALA -3.86 -2.26 1 77 HIS -5.63 -0.60 1 78 ARG -0.38 -0.21 1 79 ALA -5.76 -2.20 1 80 ALA -2.42 -1.18 1 81 SER -5.52 -2.65 1 82 VAL 5.97 4.11 1 83 GLU 4.32 3.00 1 84 GLU 2.29 2.23 1 85 ALA 3.87 2.90 1 86 VAL 6.33 4.38 1 87 ASP 3.73 3.03 1 88 ILE 5.05 3.71 1 89 ALA 6.03 3.26 1 90 ALA 3.76 2.20 1 91 SER 3.62 2.65 1 92 LEU 1.37 -0.86 1 93 ASP 2.97 0.71 1 94 ALA -1.81 -0.57 1 95 GLU -0.44 0.14 1 96 THR -2.94 -0.48 1 97 ALA -3.21 -2.56 1 98 TYR -3.15 -1.33 1 99 VAL 0.05 -0.65 1 100 ILE 1.12 0.36 1 103 ALA 4.47 3.62 1 104 ALA 2.36 1.70 1 105 ILE 4.40 0.31 1 106 TYR 3.96 2.50 1 107 ALA 4.07 2.68 1 108 LEU 1.78 2.00 1 109 PHE 2.27 3.34 1 110 GLN -2.57 0.12 1 112 HIS -0.80 0.50 1 113 LEU -1.21 1.97 1 114 ASP -6.30 -0.89 1 115 ARG -4.22 -0.34 1 116 MET 2.05 -0.07 1 117 VAL -4.67 -3.15 1 118 LEU 1.16 -1.07 1 119 SER -2.43 -0.21 1 121 VAL -2.21 -1.57 1 124 GLU -0.65 2.99 1 125 TYR -0.70 -0.74 1 126 GLU -2.36 -0.93 1 128 ASP -3.02 -1.43 1 129 THR -3.89 -0.85 1 130 TYR -0.43 1.36 1 131 TYR 0.03 -0.03 1 133 GLU -2.76 -2.08 1 134 TRP -1.45 -0.84 1 135 ASP 2.62 2.18 1 136 ALA 1.27 1.10 1 137 ALA -2.38 -0.80 1 138 GLU -5.79 -1.01 1 139 TRP -5.43 -2.59 1 140 GLU 1.66 -1.02 1 141 LEU -2.06 1.20 1 142 ASP -3.58 -0.49 1 143 ALA -4.61 -1.42 1 144 GLU -2.54 -0.93 1 145 THR 0.73 0.80 1 146 ASP -4.01 -0.38 1 147 HIS 3.20 1.12 1 148 GLU -0.42 -1.36 1 150 PHE -1.63 -0.22 1 151 THR -2.49 -1.19 1 152 LEU -3.71 -1.65 1 153 GLN -2.50 -1.57 1 154 GLU -4.57 -1.87 1 155 TRP -5.17 -2.43 1 156 VAL 1.61 -0.15 1 157 ARG -0.14 -0.03 1 158 SER 0.17 0.24 1 159 ALA -1.05 -1.04 1 160 SER -3.00 -2.22 1 161 SER 1.61 1.51 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15253_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.30 _LACS_plot.Line_1_terminator_val_y_1 4.00 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.58 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.45 _LACS_plot.Line_2_terminator_val_x_2 8.09 _LACS_plot.Line_2_terminator_val_y_2 -2.57 _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 64 MET 1.45 -4.82 0 12 ASN 8.10 -5.87 1 13 ARG 6.19 -3.76 1 14 VAL 1.41 0.08 1 17 ARG -0.98 0.06 1 18 ASP 0.25 -1.00 1 20 GLU -4.77 1.70 1 21 LEU -0.05 -0.89 1 25 SER 2.64 0.37 1 28 ALA 2.23 0.08 1 29 ASP 4.86 -0.17 1 30 LYS 4.56 -1.82 1 31 LYS 3.65 -0.89 1 32 GLN 6.35 -4.09 1 33 TYR -0.62 2.79 1 34 ARG -1.60 -2.25 1 35 SER 3.16 -0.75 1 36 ARG 3.32 -1.05 1 37 VAL -2.66 0.94 1 38 ALA 1.96 0.65 1 39 ASP -2.10 1.48 1 40 ASP -2.59 4.07 1 42 VAL -5.81 1.36 1 43 VAL -1.83 -0.22 1 44 LEU -3.28 1.40 1 46 ARG 5.22 -0.97 1 47 THR 6.84 -2.07 1 48 THR 7.35 -2.04 1 49 PHE 5.12 -0.72 1 50 GLU 3.47 -1.12 1 51 SER 2.71 -0.35 1 52 MET -0.29 0.36 1 53 ARG 3.87 -1.13 1 54 ASP 1.28 -0.75 1 55 ASP 0.20 -1.24 1 56 LEU 0.17 0.14 1 59 SER 0.52 -0.34 1 60 ALA -4.78 3.25 1 61 GLN 0.83 -1.12 1 62 ILE 1.43 -1.80 1 63 VAL -0.23 -1.60 1 65 SER -1.31 0.24 1 68 GLU 0.66 -0.66 1 69 ARG -1.24 0.49 1 70 SER -1.47 0.65 1 71 PHE -1.87 1.37 1 72 SER 1.81 -0.47 1 73 VAL -1.45 0.42 1 74 ASP -4.31 -0.34 1 75 THR 0.54 -1.03 1 76 ALA -3.86 1.60 1 77 HIS -5.63 5.03 1 78 ARG -0.38 0.17 1 79 ALA -5.76 3.56 1 80 ALA -2.42 1.24 1 81 SER -5.52 2.87 1 82 VAL 5.97 -1.86 1 83 GLU 4.32 -1.32 1 84 GLU 2.29 -0.06 1 85 ALA 3.87 -0.97 1 86 VAL 6.33 -1.95 1 87 ASP 3.73 -0.70 1 88 ILE 5.05 -1.34 1 89 ALA 6.03 -2.77 1 90 ALA 3.76 -1.56 1 91 SER 3.62 -0.97 1 92 LEU 1.37 -2.23 1 93 ASP 2.97 -2.26 1 94 ALA -1.81 1.24 1 95 GLU -0.44 0.58 1 96 THR -2.94 2.46 1 97 ALA -3.21 0.65 1 98 TYR -3.15 1.82 1 99 VAL 0.05 -0.70 1 100 ILE 1.12 -0.76 1 103 ALA 4.47 -0.85 1 104 ALA 2.36 -0.66 1 105 ILE 4.40 -4.09 1 106 TYR 3.96 -1.46 1 107 ALA 4.07 -1.39 1 108 LEU 1.78 0.22 1 109 PHE 2.27 1.07 1 110 GLN -2.57 2.69 1 112 HIS -0.80 1.30 1 113 LEU -1.21 3.18 1 114 ASP -6.30 5.41 1 115 ARG -4.22 3.88 1 116 MET 2.05 -2.12 1 117 VAL -4.67 1.52 1 118 LEU 1.16 -2.23 1 119 SER -2.43 2.22 1 121 VAL -2.21 0.64 1 124 GLU -0.65 3.64 1 125 TYR -0.70 -0.04 1 126 GLU -2.36 1.43 1 128 ASP -3.02 1.59 1 129 THR -3.89 3.04 1 130 TYR -0.43 1.79 1 131 TYR 0.03 -0.06 1 133 GLU -2.76 0.68 1 134 TRP -1.45 0.61 1 135 ASP 2.62 -0.44 1 136 ALA 1.27 -0.17 1 137 ALA -2.38 1.58 1 138 GLU -5.79 4.78 1 139 TRP -5.43 2.84 1 140 GLU 1.66 -2.68 1 141 LEU -2.06 3.26 1 142 ASP -3.58 3.09 1 143 ALA -4.61 3.19 1 144 GLU -2.54 1.61 1 145 THR 0.73 0.07 1 146 ASP -4.01 3.63 1 147 HIS 3.20 -2.08 1 148 GLU -0.42 -0.94 1 150 PHE -1.63 1.41 1 151 THR -2.49 1.30 1 152 LEU -3.71 2.06 1 153 GLN -2.50 0.93 1 154 GLU -4.57 2.70 1 155 TRP -5.17 2.74 1 156 VAL 1.61 -1.76 1 157 ARG -0.14 0.11 1 158 SER 0.17 0.07 1 159 ALA -1.05 0.01 1 160 SER -3.00 0.78 1 161 SER 1.61 -0.10 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15253_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.30 _LACS_plot.Line_1_terminator_val_y_1 0.61 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.05 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.27 _LACS_plot.Line_2_terminator_val_x_2 8.09 _LACS_plot.Line_2_terminator_val_y_2 -0.47 _LACS_plot.Y_axis_chem_shift_offset -0.12 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 42 VAL -5.81 1.34 0 12 ASN 8.10 0.23 0 25 SER 2.64 -0.63 1 28 ALA 2.23 -0.04 1 29 ASP 4.86 -0.39 1 30 LYS 4.56 -0.13 1 31 LYS 3.65 -0.31 1 32 GLN 6.35 -0.07 1 33 TYR -0.62 0.04 1 35 SER 3.16 -0.28 1 37 VAL -2.66 0.25 1 38 ALA 1.96 -0.34 1 39 ASP -2.10 0.28 1 43 VAL -1.83 0.94 1 44 LEU -3.28 0.24 1 48 THR 7.35 -0.03 1 49 PHE 5.12 0.53 1 50 GLU 3.47 -0.63 1 51 SER 2.71 -0.09 1 54 ASP 1.28 -0.14 1 55 ASP 0.20 -0.03 1 56 LEU 0.17 -0.45 1 59 SER 0.52 0.37 1 60 ALA -4.78 0.43 1 61 GLN 0.83 0.78 1 62 ILE 1.43 0.32 1 63 VAL -0.23 0.31 1 64 MET 1.45 0.87 1 68 GLU 0.66 -0.33 1 69 ARG -1.24 0.02 1 70 SER -1.47 -0.04 1 71 PHE -1.87 0.61 1 72 SER 1.81 0.06 1 73 VAL -1.45 -0.02 1 74 ASP -4.31 -0.15 1 75 THR 0.54 0.11 1 76 ALA -3.86 1.04 1 77 HIS -5.63 0.06 1 78 ARG -0.38 0.77 1 79 ALA -5.76 0.43 1 80 ALA -2.42 0.29 1 81 SER -5.52 -0.18 1 82 VAL 5.97 -0.84 1 83 GLU 4.32 -0.55 1 84 GLU 2.29 -0.12 1 85 ALA 3.87 -0.36 1 86 VAL 6.33 -0.69 1 87 ASP 3.73 -0.16 1 88 ILE 5.05 -0.57 1 89 ALA 6.03 -0.62 1 90 ALA 3.76 -0.05 1 91 SER 3.62 -0.09 1 92 LEU 1.37 -0.11 1 93 ASP 2.97 -0.25 1 94 ALA -1.81 0.21 1 95 GLU -0.44 0.10 1 96 THR -2.94 0.82 1 97 ALA -3.21 0.57 1 98 TYR -3.15 0.50 1 99 VAL 0.05 -0.39 1 100 ILE 1.12 -0.02 1 103 ALA 4.47 -0.43 1 104 ALA 2.36 0.11 1 105 ILE 4.40 0.04 1 106 TYR 3.96 -0.12 1 107 ALA 4.07 -0.06 1 108 LEU 1.78 -0.21 1 109 PHE 2.27 0.56 1 110 GLN -2.57 -0.09 1 112 HIS -1.21 0.29 1 114 ASP -6.30 0.46 1 115 ARG -4.22 0.60 1 116 MET 2.05 0.70 1 117 VAL -4.67 0.27 1 118 LEU -2.43 0.49 1 121 VAL -2.21 0.15 1 124 GLU -0.65 -0.86 1 125 TYR -0.70 0.53 1 126 GLU -2.36 -0.65 1 128 ASP -3.02 0.74 1 129 THR -3.89 0.24 1 130 TYR -0.43 -0.24 1 131 TYR 0.03 -0.59 1 133 GLU -2.76 -0.53 1 134 TRP -1.45 -0.13 1 135 ASP 2.62 0.04 1 136 ALA 1.27 0.10 1 137 ALA -2.38 0.14 1 138 GLU -5.79 0.51 1 139 TRP -5.43 0.72 1 140 GLU 1.66 0.46 1 141 LEU -2.06 -0.61 1 142 ASP -3.58 0.17 1 143 ALA -4.61 0.95 1 144 GLU -2.54 0.79 1 145 THR 0.73 0.13 1 146 ASP -4.01 -0.14 1 147 HIS 3.20 -0.11 1 148 GLU -0.42 0.43 1 150 PHE -1.63 0.38 1 151 THR -2.49 0.74 1 152 LEU -3.71 0.74 1 153 GLN -2.50 0.92 1 154 GLU -4.57 0.73 1 155 TRP -5.17 1.17 1 156 VAL 1.61 0.81 1 157 ARG -0.14 -0.14 1 158 SER 0.17 0.08 1 159 ALA -1.05 -0.04 1 160 SER -3.00 0.07 1 161 SER 1.61 0.26 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15253_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.30 _LACS_plot.Line_1_terminator_val_y_1 -2.12 _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 -0.77 _LACS_plot.Line_2_terminator_val_x_2 8.09 _LACS_plot.Line_2_terminator_val_y_2 2.08 _LACS_plot.Y_axis_chem_shift_offset 0.18 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 147 HIS -4.01 3.42 0 12 ASN 8.10 -0.81 1 13 ARG 6.19 -2.01 1 18 ASP 0.25 -0.39 1 20 GLU -4.77 -0.98 1 25 SER 2.64 0.15 1 28 ALA 2.23 2.70 1 29 ASP 4.86 0.81 1 30 LYS 4.56 1.69 1 31 LYS 3.65 2.86 1 32 GLN 6.35 2.11 1 33 TYR -0.62 1.50 1 34 ARG -1.60 2.97 1 35 SER 3.16 1.99 1 36 ARG 3.32 1.44 1 37 VAL -2.66 -0.59 1 38 ALA 1.96 0.33 1 39 ASP -2.10 -1.55 1 42 VAL -5.81 -2.26 1 43 VAL -1.83 -1.90 1 44 LEU -3.28 -2.08 1 46 ARG 5.22 1.68 1 47 THR 6.84 2.41 1 48 THR 7.35 1.04 1 49 PHE 5.12 0.39 1 50 GLU 3.47 3.18 1 51 SER 2.71 0.71 1 52 MET -0.29 -0.05 1 53 ARG 3.87 -0.01 1 54 ASP 1.28 -0.58 1 55 ASP 0.20 -1.54 1 59 SER 0.52 0.38 1 60 ALA -4.78 -2.40 1 61 GLN 0.83 -3.01 1 62 ILE 1.43 -3.07 1 63 VAL -0.23 0.13 1 64 MET 1.45 -0.25 1 68 GLU 0.66 -0.94 1 69 ARG -1.24 0.40 1 70 SER -1.47 -1.15 1 72 SER 1.81 -0.08 1 74 ASP -4.31 0.65 1 75 THR 0.54 -2.09 1 76 ALA -3.86 -1.79 1 77 HIS -5.63 0.77 1 78 ARG -0.38 -1.64 1 79 ALA -5.76 -2.15 1 80 ALA -2.42 -0.95 1 81 SER -5.52 -0.51 1 82 VAL 5.97 0.65 1 83 GLU 4.32 2.27 1 84 GLU 2.29 1.53 1 85 ALA 3.87 1.21 1 86 VAL 6.33 1.31 1 87 ASP 3.73 3.85 1 88 ILE 5.05 2.87 1 89 ALA 6.03 1.20 1 90 ALA 3.76 4.45 1 91 SER 3.62 0.38 1 92 LEU 1.37 -1.06 1 93 ASP 2.97 -1.34 1 94 ALA -1.81 -0.23 1 95 GLU -0.44 0.10 1 96 THR -2.94 -2.94 1 97 ALA -3.21 -2.62 1 98 TYR -3.15 -0.72 1 99 VAL 0.05 0.96 1 100 ILE 1.12 -1.86 1 103 ALA 4.47 0.63 1 104 ALA 2.36 2.31 1 105 ILE 4.40 2.60 1 106 TYR 3.96 3.44 1 107 ALA 4.07 1.64 1 108 LEU 1.78 0.62 1 109 PHE 2.27 1.19 1 112 HIS -2.57 1.46 1 113 LEU -0.80 -0.45 1 114 ASP -1.21 0.08 1 115 ARG -6.30 -2.20 1 116 MET -4.22 -1.63 1 117 VAL 2.05 -1.21 1 118 LEU -4.67 -1.15 1 119 SER 1.16 -1.86 1 125 TYR -0.65 -0.85 1 126 GLU -0.70 -0.46 1 128 ASP -2.36 -0.56 1 129 THR -3.02 -1.17 1 130 TYR -3.89 -1.03 1 133 GLU 0.03 -0.99 1 134 TRP -2.76 -1.77 1 135 ASP -1.45 1.31 1 136 ALA 2.62 0.74 1 137 ALA 1.27 1.66 1 138 GLU -2.38 -1.32 1 139 TRP -5.79 -1.52 1 140 GLU -5.43 -1.66 1 141 LEU 1.66 -2.29 1 142 ASP -2.06 -0.41 1 143 ALA -3.58 -2.96 1 144 GLU -4.61 -1.45 1 145 THR -2.54 -1.37 1 146 ASP 0.73 -1.82 1 148 GLU 3.20 -0.44 1 150 PHE -0.42 -3.34 1 151 THR -1.63 -1.82 1 152 LEU -2.49 -1.83 1 153 GLN -3.71 -1.76 1 154 GLU -2.50 -1.93 1 155 TRP -4.57 0.62 1 156 VAL -5.17 -1.70 1 157 ARG 1.61 0.83 1 158 SER -0.14 -0.01 1 159 ALA 0.17 1.22 1 160 SER -1.05 1.92 1 161 SER -3.00 -0.81 1 stop_ save_