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 bmr6645_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -5.72 _LACS_plot.Line_1_terminator_val_y_1 -2.26 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.81 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.50 _LACS_plot.Line_2_terminator_val_x_2 7.77 _LACS_plot.Line_2_terminator_val_y_2 5.40 _LACS_plot.Y_axis_chem_shift_offset 0.04 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 64 MET 1.74 -3.26 0 119 SER 1.20 -3.65 0 11 GLU -3.42 -1.79 1 12 ASN -0.70 1.82 1 14 VAL 1.69 1.67 1 20 GLU -4.70 -2.91 1 21 LEU -0.38 -0.67 1 23 TRP -1.35 2.01 1 25 SER 1.65 1.24 1 26 ILE -0.40 0.00 1 28 ALA 2.49 2.44 1 29 ASP 4.26 2.01 1 30 LYS 4.65 2.85 1 31 LYS 3.96 2.95 1 32 GLN 0.24 2.42 1 33 TYR 3.51 2.45 1 34 ARG 4.17 1.60 1 35 SER 3.21 2.48 1 36 ARG 3.48 2.47 1 37 VAL 1.21 -1.54 1 38 ALA 2.44 2.88 1 39 ASP -1.87 -0.37 1 40 ASP -2.20 1.70 1 42 VAL -5.66 -4.34 1 43 VAL -1.37 -1.82 1 44 LEU -3.07 -1.65 1 46 ARG 5.17 4.27 1 47 THR 7.23 5.08 1 48 THR 7.77 5.43 1 49 PHE 5.31 4.64 1 50 GLU 3.68 2.40 1 51 SER 2.97 2.32 1 52 MET -0.19 0.18 1 53 ARG 4.05 2.97 1 54 ASP 1.60 0.74 1 55 ASP 0.44 -0.63 1 56 LEU 6.70 6.88 1 59 SER 1.92 0.32 1 60 ALA -4.80 -1.29 1 61 GLN 1.13 0.01 1 62 ILE 1.60 -0.11 1 63 VAL -0.19 -1.72 1 65 SER -1.43 -0.90 1 67 SER -0.41 -0.30 1 69 ARG 2.54 1.36 1 70 SER -0.87 -0.88 1 71 PHE -1.42 -0.37 1 72 SER 1.78 0.78 1 73 VAL -1.32 -0.87 1 74 ASP 2.89 2.60 1 75 THR 1.17 -0.31 1 76 ALA -2.74 -1.99 1 77 HIS -1.26 -0.61 1 78 ARG -0.23 0.11 1 79 ALA -5.72 -1.95 1 80 ALA -2.28 -0.96 1 81 SER -5.17 -2.50 1 82 VAL 6.39 4.27 1 83 GLU 4.68 3.18 1 84 GLU 2.26 2.43 1 85 ALA 3.55 2.76 1 86 VAL 6.31 4.60 1 87 ASP 3.93 3.14 1 88 ILE 5.04 3.84 1 89 ALA 6.41 3.45 1 90 ALA 4.06 2.40 1 91 SER 3.91 2.71 1 92 LEU 0.85 -0.66 1 93 ASP 3.36 0.91 1 94 ALA -1.72 -0.37 1 95 GLU -0.10 0.32 1 96 THR -2.23 -0.26 1 97 ALA -2.85 -2.28 1 98 TYR -3.08 -1.14 1 99 VAL -1.46 -0.51 1 100 ILE 1.46 0.57 1 103 ALA 4.40 4.73 1 104 ALA 3.72 2.63 1 105 ILE 4.61 0.60 1 106 TYR 3.54 2.46 1 107 ALA 4.43 2.88 1 108 LEU 1.73 2.21 1 109 PHE 2.38 3.51 1 110 GLN -2.43 0.33 1 112 HIS -0.71 0.74 1 113 LEU -1.72 2.13 1 114 ASP 1.20 -0.51 1 115 ARG 4.02 0.13 1 116 MET 2.13 0.08 1 117 VAL -4.56 -2.99 1 118 LEU 1.49 -0.98 1 120 ARG -0.53 -0.07 1 121 VAL -2.14 -1.59 1 124 GLU -5.42 -2.13 1 125 TYR -0.55 -0.53 1 126 GLU -2.07 -0.85 1 128 ASP -3.52 -1.24 1 129 THR -3.68 -0.62 1 130 TYR -0.01 1.59 1 131 TYR 0.20 0.24 1 133 GLU -2.80 -1.86 1 134 TRP -1.35 -0.72 1 135 ASP 3.05 2.56 1 136 ALA 1.69 1.33 1 137 ALA -2.36 -0.64 1 138 GLU -5.39 -0.82 1 139 TRP -5.18 -2.43 1 140 GLU 2.15 -0.20 1 141 LEU -2.01 1.41 1 142 ASP -3.72 -0.61 1 143 ALA -4.81 -1.12 1 144 GLU -2.42 -0.89 1 145 THR 1.13 1.09 1 146 ASP -4.07 -0.34 1 147 HIS 0.41 0.99 1 148 GLU -0.23 -1.18 1 150 PHE -1.29 -0.07 1 151 THR -1.05 -1.03 1 152 LEU -3.53 -1.36 1 153 GLN -1.97 -1.39 1 154 GLU -4.40 -1.61 1 155 TRP -4.65 -2.20 1 156 VAL 2.20 0.06 1 157 ARG 0.21 0.13 1 158 SER 0.10 0.31 1 159 ALA 0.18 0.19 1 160 SER -1.14 -1.07 1 161 SER 1.63 1.74 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6645_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -5.72 _LACS_plot.Line_1_terminator_val_y_1 3.46 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.19 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.50 _LACS_plot.Line_2_terminator_val_x_2 7.77 _LACS_plot.Line_2_terminator_val_y_2 -2.37 _LACS_plot.Y_axis_chem_shift_offset 0.04 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 64 MET 1.74 -5.00 0 119 SER 1.20 -4.85 0 11 GLU -3.42 1.63 1 12 ASN -0.70 2.52 1 14 VAL 1.69 -0.02 1 20 GLU -4.70 1.79 1 21 LEU -0.38 -0.29 1 23 TRP -1.35 3.36 1 25 SER 1.65 -0.41 1 26 ILE -0.40 0.40 1 28 ALA 2.49 -0.05 1 29 ASP 4.26 -2.25 1 30 LYS 4.65 -1.80 1 31 LYS 3.96 -1.01 1 32 GLN 0.24 2.18 1 33 TYR 3.51 -1.06 1 34 ARG 4.17 -2.57 1 35 SER 3.21 -0.73 1 36 ARG 3.48 -1.01 1 37 VAL 1.21 -2.75 1 38 ALA 2.44 0.44 1 39 ASP -1.87 1.50 1 40 ASP -2.20 3.90 1 42 VAL -5.66 1.32 1 43 VAL -1.37 -0.45 1 44 LEU -3.07 1.42 1 46 ARG 5.17 -0.90 1 47 THR 7.23 -2.15 1 48 THR 7.77 -2.34 1 49 PHE 5.31 -0.67 1 50 GLU 3.68 -1.28 1 51 SER 2.97 -0.65 1 52 MET -0.19 0.37 1 53 ARG 4.05 -1.08 1 54 ASP 1.60 -0.86 1 55 ASP 0.44 -1.07 1 56 LEU 6.70 0.18 1 59 SER 1.92 -1.60 1 60 ALA -4.80 3.51 1 61 GLN 1.13 -1.12 1 62 ILE 1.60 -1.71 1 63 VAL -0.19 -1.53 1 65 SER -1.43 0.53 1 67 SER -0.41 0.11 1 69 ARG 2.54 -1.18 1 70 SER -0.87 -0.01 1 71 PHE -1.42 1.05 1 72 SER 1.78 -1.00 1 73 VAL -1.32 0.45 1 74 ASP 2.89 -0.29 1 75 THR 1.17 -1.48 1 76 ALA -2.74 0.75 1 77 HIS -1.26 0.65 1 78 ARG -0.23 0.34 1 79 ALA -5.72 3.77 1 80 ALA -2.28 1.32 1 81 SER -5.17 2.67 1 82 VAL 6.39 -2.12 1 83 GLU 4.68 -1.50 1 84 GLU 2.26 0.17 1 85 ALA 3.55 -0.79 1 86 VAL 6.31 -1.71 1 87 ASP 3.93 -0.79 1 88 ILE 5.04 -1.20 1 89 ALA 6.41 -2.96 1 90 ALA 4.06 -1.66 1 91 SER 3.91 -1.20 1 92 LEU 0.85 -1.51 1 93 ASP 3.36 -2.45 1 94 ALA -1.72 1.35 1 95 GLU -0.10 0.42 1 96 THR -2.23 1.97 1 97 ALA -2.85 0.57 1 98 TYR -3.08 1.94 1 99 VAL -1.46 0.95 1 100 ILE 1.46 -0.89 1 103 ALA 4.40 0.33 1 104 ALA 3.72 -1.09 1 105 ILE 4.61 -4.01 1 106 TYR 3.54 -1.08 1 107 ALA 4.43 -1.55 1 108 LEU 1.73 0.48 1 109 PHE 2.38 1.13 1 110 GLN -2.43 2.76 1 112 HIS -0.71 1.45 1 113 LEU -1.72 3.85 1 114 ASP 1.20 -1.71 1 115 ARG 4.02 -3.89 1 116 MET 2.13 -2.05 1 117 VAL -4.56 1.57 1 118 LEU 1.49 -2.47 1 120 ARG -0.53 0.46 1 121 VAL -2.14 0.55 1 124 GLU -5.42 3.29 1 125 TYR -0.55 0.02 1 126 GLU -2.07 1.22 1 128 ASP -3.52 2.28 1 129 THR -3.68 3.06 1 130 TYR -0.01 1.60 1 131 TYR 0.20 0.04 1 133 GLU -2.80 0.94 1 134 TRP -1.35 0.63 1 135 ASP 3.05 -0.49 1 136 ALA 1.69 -0.36 1 137 ALA -2.36 1.72 1 138 GLU -5.39 4.57 1 139 TRP -5.18 2.75 1 140 GLU 2.15 -2.35 1 141 LEU -2.01 3.42 1 142 ASP -3.72 3.11 1 143 ALA -4.81 3.69 1 144 GLU -2.42 1.53 1 145 THR 1.13 -0.04 1 146 ASP -4.07 3.73 1 147 HIS 0.41 0.58 1 148 GLU -0.23 -0.95 1 150 PHE -1.29 1.22 1 151 THR -1.05 0.02 1 152 LEU -3.53 2.17 1 153 GLN -1.97 0.58 1 154 GLU -4.40 2.79 1 155 TRP -4.65 2.45 1 156 VAL 2.20 -2.14 1 157 ARG 0.21 -0.08 1 158 SER 0.10 0.21 1 159 ALA 0.18 0.01 1 160 SER -1.14 0.07 1 161 SER 1.63 0.11 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6645_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -5.72 _LACS_plot.Line_1_terminator_val_y_1 0.69 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.06 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.39 _LACS_plot.Line_2_terminator_val_x_2 7.77 _LACS_plot.Line_2_terminator_val_y_2 -0.42 _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 99 VAL -1.46 1.99 0 11 GLU -3.42 -0.12 1 12 ASN -0.70 -0.24 1 14 VAL 1.69 -0.12 1 20 GLU -4.70 0.04 1 21 LEU -0.38 -0.15 1 23 TRP -1.35 -0.44 1 25 SER 1.65 -0.20 1 26 ILE -0.40 0.10 1 28 ALA 2.49 -0.10 1 29 ASP 4.26 -0.19 1 30 LYS 4.65 -0.10 1 31 LYS 3.96 -0.77 1 32 GLN 0.24 -0.68 1 33 TYR 3.51 -0.41 1 34 ARG 4.17 0.02 1 35 SER 3.21 -0.36 1 36 ARG 3.48 0.06 1 37 VAL 1.21 0.03 1 38 ALA 2.44 -0.20 1 39 ASP -1.87 0.44 1 40 ASP -2.20 -0.11 1 42 VAL -5.66 1.68 1 43 VAL -1.37 1.10 1 44 LEU -3.07 1.32 1 46 ARG 5.17 0.01 1 47 THR 7.23 -0.06 1 48 THR 7.77 -0.25 1 49 PHE 5.31 -0.57 1 50 GLU 3.68 -0.36 1 51 SER 2.97 0.04 1 52 MET -0.19 -0.41 1 53 ARG 4.05 -0.03 1 54 ASP 1.60 -0.24 1 55 ASP 0.44 0.15 1 56 LEU 6.70 -0.30 1 59 SER 1.92 0.53 1 60 ALA -4.80 0.48 1 61 GLN 1.13 0.96 1 62 ILE 1.60 1.11 1 63 VAL -0.19 0.54 1 65 SER -1.43 0.15 1 67 SER -0.41 0.46 1 70 SER -0.87 0.12 1 71 PHE -1.42 0.02 1 72 SER 1.78 0.71 1 73 VAL -1.32 0.23 1 74 ASP 2.89 0.03 1 75 THR 1.17 0.26 1 76 ALA -2.74 1.40 1 77 HIS -1.26 0.16 1 78 ARG -0.23 0.93 1 79 ALA -5.72 0.63 1 80 ALA -2.28 -0.13 1 81 SER -5.17 -0.02 1 82 VAL 6.39 -0.65 1 83 GLU 4.68 -0.35 1 84 GLU 2.26 -0.09 1 85 ALA 3.55 -0.26 1 86 VAL 6.31 -0.51 1 87 ASP 3.93 -0.72 1 88 ILE 5.04 -0.34 1 89 ALA 6.41 -0.42 1 90 ALA 4.06 -0.10 1 91 SER 3.91 0.11 1 92 LEU 0.85 -0.12 1 93 ASP 3.36 -0.06 1 94 ALA -1.72 0.06 1 95 GLU -0.10 0.28 1 96 THR -2.23 0.75 1 97 ALA -2.85 0.70 1 98 TYR -3.08 0.74 1 100 ILE 1.46 1.51 1 103 ALA 4.40 -0.09 1 104 ALA 3.72 -0.38 1 105 ILE 4.61 -0.03 1 106 TYR 3.54 -0.13 1 107 ALA 4.43 -0.15 1 108 LEU 1.73 -0.11 1 109 PHE 2.38 -0.22 1 110 GLN -2.43 -0.13 1 112 HIS -0.71 0.03 1 113 LEU -1.72 0.21 1 114 ASP 1.20 0.68 1 115 ARG 4.02 0.75 1 116 MET 2.13 0.91 1 117 VAL -4.56 1.20 1 118 LEU 1.49 0.76 1 119 SER 1.20 1.14 1 120 ARG -0.53 1.65 1 121 VAL -2.14 0.02 1 124 GLU -5.42 -0.25 1 125 TYR -0.55 -0.12 1 126 GLU -2.07 -0.14 1 128 ASP -3.52 0.63 1 129 THR -3.68 0.05 1 130 TYR -0.01 -0.13 1 131 TYR 0.20 -0.41 1 133 GLU -2.80 0.54 1 134 TRP -1.35 -0.10 1 135 ASP 3.05 0.26 1 136 ALA 1.69 0.31 1 137 ALA -2.36 0.21 1 138 GLU -5.39 0.67 1 139 TRP -5.18 0.94 1 140 GLU 2.15 0.50 1 141 LEU -2.01 0.19 1 142 ASP -3.72 0.40 1 143 ALA -4.81 1.30 1 144 GLU -2.42 1.18 1 145 THR 1.13 0.21 1 146 ASP -4.07 0.19 1 147 HIS 0.41 -0.05 1 148 GLU -0.23 0.58 1 150 PHE -1.29 0.32 1 151 THR -1.05 0.97 1 152 LEU -3.53 0.85 1 153 GLN -1.97 1.08 1 154 GLU -4.40 0.90 1 155 TRP -4.65 1.38 1 156 VAL 2.20 1.13 1 157 ARG 0.21 0.04 1 158 SER 0.10 0.27 1 159 ALA 0.18 0.24 1 160 SER -1.14 0.10 1 161 SER 1.63 0.05 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6645_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -5.72 _LACS_plot.Line_1_terminator_val_y_1 -2.09 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.59 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.78 _LACS_plot.Line_2_terminator_val_x_2 7.77 _LACS_plot.Line_2_terminator_val_y_2 2.32 _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 97 ALA -2.85 -4.43 0 103 ALA 4.40 4.69 0 90 ALA 4.06 4.73 0 153 GLN -3.53 -4.87 0 11 GLU -3.42 -1.67 1 14 VAL 1.69 0.28 1 20 GLU -4.70 -0.86 1 25 SER 1.65 0.06 1 28 ALA 2.49 2.91 1 29 ASP 4.26 0.93 1 30 LYS 4.65 2.00 1 31 LYS 3.96 3.08 1 32 GLN 0.24 1.70 1 33 TYR 3.51 0.33 1 34 ARG 4.17 3.20 1 35 SER 3.21 2.15 1 36 ARG 3.48 1.69 1 37 VAL 1.21 -0.41 1 38 ALA 2.44 0.55 1 39 ASP -1.87 -1.38 1 42 VAL -5.66 -2.11 1 43 VAL -1.37 -1.72 1 44 LEU -3.07 -2.01 1 46 ARG 5.17 0.07 1 47 THR 7.23 2.64 1 48 THR 7.77 1.29 1 49 PHE 5.31 0.52 1 50 GLU 3.68 3.40 1 51 SER 2.97 1.00 1 52 MET -0.19 0.63 1 53 ARG 4.05 0.27 1 54 ASP 1.60 -0.44 1 55 ASP 0.44 -1.34 1 59 SER 1.92 0.63 1 60 ALA -4.80 -2.26 1 61 GLN 1.13 -2.86 1 62 ILE 1.60 -2.94 1 63 VAL -0.19 0.34 1 64 MET 1.74 -0.04 1 65 SER -1.43 0.13 1 67 SER -0.41 -0.47 1 69 ARG 2.54 0.47 1 70 SER -0.87 -0.84 1 71 PHE -1.42 0.75 1 72 SER 1.78 0.09 1 73 VAL -1.32 1.32 1 74 ASP 2.89 0.85 1 75 THR 1.17 -1.88 1 76 ALA -2.74 -1.63 1 77 HIS -1.26 -0.23 1 78 ARG -0.23 -1.47 1 79 ALA -5.72 -2.01 1 80 ALA -2.28 -0.78 1 81 SER -5.17 -0.39 1 82 VAL 6.39 0.81 1 83 GLU 4.68 2.49 1 84 GLU 2.26 1.78 1 85 ALA 3.55 1.39 1 86 VAL 6.31 1.51 1 87 ASP 3.93 4.07 1 88 ILE 5.04 3.13 1 89 ALA 6.41 1.37 1 91 SER 3.91 0.51 1 92 LEU 0.85 -0.83 1 93 ASP 3.36 -1.17 1 94 ALA -1.72 -0.03 1 95 GLU -0.10 -0.86 1 96 THR -2.23 -3.68 1 98 TYR -3.08 -0.56 1 99 VAL -1.46 1.21 1 100 ILE 1.46 -1.47 1 104 ALA 3.72 2.59 1 105 ILE 4.61 2.83 1 106 TYR 3.54 3.69 1 107 ALA 4.43 1.86 1 108 LEU 1.73 0.85 1 109 PHE 2.38 1.40 1 112 HIS -2.43 1.64 1 113 LEU -0.71 -0.22 1 114 ASP -1.72 0.28 1 115 ARG 1.20 -0.42 1 116 MET 4.02 -1.52 1 117 VAL 2.13 -1.11 1 118 LEU -4.56 -1.04 1 119 SER 1.49 -1.65 1 120 ARG 1.20 -0.45 1 124 GLU -2.14 -2.31 1 125 TYR -5.42 -2.15 1 126 GLU -0.55 -0.23 1 128 ASP -2.07 -0.31 1 129 THR -3.52 -0.96 1 130 TYR -3.68 -0.66 1 133 GLU 0.20 -0.81 1 134 TRP -2.80 -1.65 1 135 ASP -1.35 1.50 1 136 ALA 3.05 0.96 1 137 ALA 1.69 1.93 1 138 GLU -2.36 -1.11 1 139 TRP -5.39 -1.43 1 140 GLU -5.18 -1.51 1 141 LEU 2.15 -2.08 1 142 ASP -2.01 -0.25 1 143 ALA -3.72 -2.82 1 144 GLU -4.81 -1.31 1 145 THR -2.42 -1.48 1 146 ASP 1.13 -1.60 1 147 HIS -4.07 0.54 1 148 GLU 0.41 -0.26 1 150 PHE -0.23 -3.15 1 151 THR -1.29 -1.64 1 152 LEU -1.05 -1.63 1 154 GLU -1.97 -1.71 1 155 TRP -4.40 0.92 1 156 VAL -4.65 -1.51 1 157 ARG 2.20 1.12 1 158 SER 0.21 0.22 1 159 ALA 0.10 0.26 1 160 SER 0.18 0.59 1 161 SER -1.14 -0.63 1 stop_ save_