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 bmr25155_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -9.03 _LACS_plot.Line_1_terminator_val_y_1 -3.60 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.86 _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 9.43 _LACS_plot.Line_2_terminator_val_y_2 7.64 _LACS_plot.Y_axis_chem_shift_offset -0.17 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 119 TRP -9.03 -1.88 0 17 ALA 3.71 2.40 1 18 ALA 3.26 2.36 1 19 GLU 3.57 3.07 1 20 LYS 1.00 0.90 1 21 ILE 5.31 4.54 1 22 ARG 5.76 3.76 1 23 ASP 3.98 3.25 1 24 ILE 3.46 3.40 1 25 ILE 5.84 4.79 1 28 GLU 2.36 1.08 1 29 LEU -1.66 0.82 1 30 VAL -2.69 -1.09 1 31 THR -0.70 -0.02 1 32 LEU -1.75 -0.34 1 33 HIS -2.75 0.30 1 34 ASN -1.22 -1.37 1 35 LEU 1.09 1.45 1 36 LYS 3.36 3.06 1 37 ASP -2.95 0.60 1 38 ASP -2.50 -1.36 1 39 SER -3.15 -1.61 1 41 LYS 2.80 1.80 1 42 LEU 2.51 1.93 1 43 MET 4.68 4.46 1 44 GLU 2.95 2.85 1 45 GLN 1.31 0.40 1 46 TYR -1.99 0.93 1 47 ASP 0.73 2.61 1 48 VAL -5.50 -2.20 1 49 LEU -5.87 -2.87 1 50 ILE -2.60 -1.20 1 51 LEU -2.94 -2.15 1 53 ILE -6.95 -2.85 1 55 THR 0.04 1.04 1 58 PHE -3.84 -2.24 1 61 ILE 1.05 1.00 1 63 GLU 4.17 3.92 1 64 ASP 3.62 3.62 1 65 TRP 2.50 3.00 1 66 GLU 4.39 3.50 1 67 ALA 2.41 2.10 1 68 VAL -1.84 -2.14 1 69 TRP 1.83 3.80 1 70 ASP 3.09 1.80 1 71 GLN 2.50 1.92 1 72 LEU 2.94 2.24 1 73 ASP 4.21 3.15 1 74 ASP -0.75 -0.03 1 75 LEU -1.58 -0.70 1 76 ASN 0.17 -1.22 1 77 LEU -3.29 -2.90 1 78 GLU 2.53 2.10 1 80 LYS 0.67 0.69 1 81 ILE -1.33 -1.28 1 82 VAL -4.48 -2.10 1 83 ALA -7.12 -2.50 1 84 LEU -4.03 -1.43 1 85 TYR -6.45 -2.05 1 87 LEU -5.97 -2.47 1 89 ASP -2.80 -2.00 1 90 GLN 3.61 3.01 1 91 LEU 1.46 0.70 1 93 TYR -0.97 -0.47 1 95 GLU 3.85 1.35 1 96 TRP -0.75 -0.38 1 97 PHE -0.20 1.04 1 98 LEU 4.70 0.90 1 99 ASP 5.81 5.06 1 100 ALA 2.00 2.60 1 101 LEU 2.45 2.70 1 103 MET 4.65 4.05 1 104 LEU 3.95 3.00 1 105 HIS 6.18 6.00 1 106 ASP 4.10 3.60 1 107 LYS 3.80 2.55 1 108 LEU 1.74 1.14 1 109 SER 5.06 4.11 1 110 THR 1.22 0.23 1 111 LYS 1.70 -0.47 1 113 VAL -2.55 -2.65 1 114 LYS -2.45 -1.92 1 115 PHE -0.54 0.98 1 116 VAL -4.54 -3.32 1 118 TYR 0.73 -2.10 1 121 THR -0.48 -0.55 1 122 GLU 1.70 1.60 1 124 TYR -3.25 -0.95 1 125 GLU -2.34 -0.90 1 126 PHE -1.45 -0.75 1 127 THR -1.42 -0.72 1 128 SER -2.59 -0.59 1 130 LYS 9.43 7.18 1 132 VAL -4.28 -2.40 1 133 ILE -4.32 -1.10 1 134 ALA 2.67 0.55 1 135 ASP 2.15 0.92 1 137 GLN 1.06 2.06 1 138 LEU -5.48 -1.40 1 139 PHE -5.08 -1.03 1 140 VAL 2.26 -0.39 1 142 LEU 4.97 0.50 1 143 ALA -7.13 -2.90 1 144 LEU -5.21 -2.31 1 145 ASP -2.68 -0.60 1 147 THR 5.00 4.60 1 148 ASN -2.70 0.30 1 149 GLN -2.36 -1.97 1 150 TYR -0.03 0.03 1 151 ASP 1.90 2.80 1 152 LEU -0.11 -0.31 1 153 SER 5.70 5.10 1 154 ASP 6.20 5.10 1 155 GLU 3.02 2.60 1 156 ARG 3.75 3.95 1 157 ILE 5.78 5.46 1 158 GLN 5.92 5.00 1 159 SER 5.18 5.20 1 160 TRP 5.49 5.24 1 162 GLU 3.60 3.20 1 163 GLN 4.49 3.99 1 164 ILE 6.23 5.06 1 165 LEU 4.32 3.05 1 166 ASN 3.27 2.85 1 167 GLU 2.29 3.32 1 168 MET 3.30 4.10 1 169 ALA 3.18 2.30 1 170 GLU 1.57 1.40 1 171 HIS 0.80 2.60 1 172 TYR -0.19 -0.09 1 173 ALA 1.28 1.88 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25155_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -9.03 _LACS_plot.Line_1_terminator_val_y_1 5.43 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.14 _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 9.43 _LACS_plot.Line_2_terminator_val_y_2 -1.79 _LACS_plot.Y_axis_chem_shift_offset -0.17 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 119 TRP -9.03 7.15 0 17 ALA 3.71 -1.31 1 18 ALA 3.26 -0.90 1 19 GLU 3.57 -0.50 1 20 LYS 1.00 -0.10 1 21 ILE 5.31 -0.77 1 22 ARG 5.76 -2.00 1 23 ASP 3.98 -0.73 1 24 ILE 3.46 -0.06 1 25 ILE 5.84 -1.05 1 28 GLU 2.36 -1.28 1 29 LEU -1.66 2.48 1 30 VAL -2.69 1.60 1 31 THR -0.70 0.68 1 32 LEU -1.75 1.41 1 33 HIS -2.75 3.05 1 34 ASN -1.22 -0.15 1 35 LEU 1.09 0.36 1 36 LYS 3.36 -0.30 1 37 ASP -2.95 3.55 1 38 ASP -2.50 1.14 1 39 SER -3.15 1.54 1 41 LYS 2.80 -1.00 1 42 LEU 2.51 -0.58 1 43 MET 4.68 -0.22 1 44 GLU 2.95 -0.10 1 45 GLN 1.31 -0.91 1 46 TYR -1.99 2.92 1 47 ASP 0.73 1.88 1 48 VAL -5.50 3.30 1 49 LEU -5.87 3.00 1 50 ILE -2.60 1.40 1 51 LEU -2.94 0.79 1 53 ILE -6.95 4.10 1 55 THR 0.04 1.00 1 58 PHE -3.84 1.60 1 61 ILE 1.05 -0.05 1 63 GLU 4.17 -0.25 1 64 ASP 3.62 0.00 1 65 TRP 2.50 0.50 1 66 GLU 4.39 -0.89 1 67 ALA 2.41 -0.31 1 68 VAL -1.84 -0.30 1 69 TRP 1.83 1.97 1 70 ASP 3.09 -1.29 1 71 GLN 2.50 -0.58 1 72 LEU 2.94 -0.70 1 73 ASP 4.21 -1.06 1 74 ASP -0.75 0.72 1 75 LEU -1.58 0.88 1 76 ASN 0.17 -1.39 1 77 LEU -3.29 0.39 1 78 GLU 2.53 -0.43 1 80 LYS 0.67 0.02 1 81 ILE -1.33 0.05 1 82 VAL -4.48 2.38 1 83 ALA -7.12 4.62 1 84 LEU -4.03 2.60 1 85 TYR -6.45 4.40 1 87 LEU -5.97 3.50 1 89 ASP -2.80 0.80 1 90 GLN 3.61 -0.60 1 91 LEU 1.46 -0.76 1 93 TYR -0.97 0.50 1 95 GLU 3.85 -2.50 1 96 TRP -0.75 0.37 1 97 PHE -0.20 1.24 1 98 LEU 4.70 -3.80 1 99 ASP 5.81 -0.75 1 100 ALA 2.00 0.60 1 101 LEU 2.45 0.25 1 103 MET 4.65 -0.60 1 104 LEU 3.95 -0.95 1 105 HIS 6.18 -0.18 1 106 ASP 4.10 -0.50 1 107 LYS 3.80 -1.25 1 108 LEU 1.74 -0.60 1 109 SER 5.06 -0.95 1 110 THR 1.22 -0.99 1 111 LYS 1.70 -2.17 1 113 VAL -2.55 -0.10 1 114 LYS -2.45 0.53 1 115 PHE -0.54 1.52 1 116 VAL -4.54 1.22 1 118 TYR 0.73 -2.83 1 121 THR -0.48 -0.07 1 122 GLU 1.70 -0.10 1 124 TYR -3.25 2.30 1 125 GLU -2.34 1.44 1 126 PHE -1.45 0.70 1 127 THR -1.42 0.70 1 128 SER -2.59 2.00 1 130 LYS 9.43 -2.25 1 132 VAL -4.28 1.88 1 133 ILE -4.32 3.22 1 134 ALA 2.67 -2.12 1 135 ASP 2.15 -1.23 1 137 GLN 1.06 1.00 1 138 LEU -5.48 4.08 1 139 PHE -5.08 4.05 1 140 VAL 2.26 -2.65 1 142 LEU 4.97 -4.47 1 143 ALA -7.13 4.23 1 144 LEU -5.21 2.90 1 145 ASP -2.68 2.08 1 147 THR 5.00 -0.40 1 148 ASN -2.70 3.00 1 149 GLN -2.36 0.39 1 150 TYR -0.03 0.06 1 151 ASP 1.90 0.90 1 152 LEU -0.11 -0.20 1 153 SER 5.70 -0.60 1 154 ASP 6.20 -1.10 1 155 GLU 3.02 -0.42 1 156 ARG 3.75 0.20 1 157 ILE 5.78 -0.32 1 158 GLN 5.92 -0.92 1 159 SER 5.18 0.02 1 160 TRP 5.49 -0.25 1 162 GLU 3.60 -0.40 1 163 GLN 4.49 -0.50 1 164 ILE 6.23 -1.17 1 165 LEU 4.32 -1.27 1 166 ASN 3.27 -0.42 1 167 GLU 2.29 1.03 1 168 MET 3.30 0.80 1 169 ALA 3.18 -0.88 1 170 GLU 1.57 -0.17 1 171 HIS 0.80 1.80 1 172 TYR -0.19 0.10 1 173 ALA 1.28 0.60 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25155_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -9.03 _LACS_plot.Line_1_terminator_val_y_1 1.08 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.17 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.30 _LACS_plot.Line_2_terminator_val_x_2 9.43 _LACS_plot.Line_2_terminator_val_y_2 -0.99 _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 53 ILE -6.95 -0.28 0 34 ASN -1.22 -1.14 0 51 LEU -2.94 1.73 0 17 ALA 3.71 -0.69 1 18 ALA 3.26 -0.61 1 19 GLU 3.57 -0.77 1 20 LYS 1.00 0.03 1 21 ILE 5.31 -0.71 1 22 ARG 5.76 -0.79 1 23 ASP 3.98 -0.30 1 24 ILE 3.46 -0.44 1 25 ILE 5.84 -0.53 1 28 GLU 2.36 -0.09 1 29 LEU -1.66 0.31 1 30 VAL -2.69 0.52 1 31 THR -0.70 -0.02 1 32 LEU -1.75 0.30 1 33 HIS -2.75 -0.31 1 35 LEU 1.09 -0.05 1 36 LYS 3.36 -0.39 1 37 ASP -2.95 0.11 1 38 ASP -2.50 0.23 1 39 SER -3.15 -0.18 1 41 LYS 2.80 -0.42 1 42 LEU 2.51 -0.31 1 43 MET 4.68 -0.72 1 44 GLU 2.95 -0.62 1 45 GLN 1.31 -0.15 1 46 TYR -1.99 0.11 1 47 ASP 0.73 0.06 1 48 VAL -5.50 0.94 1 49 LEU -5.87 1.26 1 50 ILE -2.60 1.48 1 55 THR 0.04 0.17 1 58 PHE -3.84 -0.08 1 61 ILE 1.05 0.27 1 63 GLU 4.17 -0.32 1 64 ASP 3.62 -0.05 1 65 TRP 2.50 -0.33 1 66 GLU 4.39 -0.53 1 67 ALA 2.41 -0.07 1 68 VAL -1.84 0.59 1 69 TRP 1.83 -0.48 1 70 ASP 3.09 -0.12 1 71 GLN 2.50 -0.15 1 72 LEU 2.94 -0.54 1 73 ASP 4.21 -0.49 1 74 ASP -0.75 0.07 1 75 LEU -1.58 -0.05 1 76 ASN 0.17 0.12 1 77 LEU -3.29 0.03 1 78 GLU 2.53 -0.45 1 80 LYS 0.67 0.04 1 81 ILE -1.33 0.64 1 82 VAL -4.48 1.16 1 83 ALA -7.12 1.07 1 84 LEU -4.03 1.17 1 85 TYR -6.45 0.40 1 87 LEU -5.97 1.14 1 89 ASP -2.80 0.55 1 90 GLN 3.61 -0.69 1 91 LEU 1.46 0.13 1 93 TYR -0.97 0.62 1 95 GLU 3.85 -0.35 1 96 TRP -0.75 0.55 1 97 PHE -0.20 0.04 1 98 LEU 4.70 -0.90 1 99 ASP 5.81 -0.68 1 100 ALA 2.00 -0.50 1 101 LEU 2.45 -0.67 1 103 MET 4.65 -0.22 1 104 LEU 3.95 -0.28 1 105 HIS 6.18 -0.88 1 106 ASP 4.10 -0.31 1 107 LYS 3.80 -0.22 1 108 LEU 1.74 -0.33 1 109 SER 5.06 -0.17 1 110 THR 1.22 0.26 1 111 LYS 1.70 0.19 1 113 VAL -2.55 0.37 1 114 LYS -2.45 0.17 1 115 PHE -0.54 1.08 1 116 VAL -4.54 0.36 1 118 TYR 0.73 0.42 1 119 TRP -9.03 1.03 1 121 THR -0.48 -0.28 1 122 GLU 1.70 -0.13 1 124 TYR -3.25 0.67 1 125 GLU -2.34 0.33 1 126 PHE -1.45 0.22 1 127 THR -1.42 0.02 1 128 SER -2.59 -0.13 1 130 LYS 9.43 -0.40 1 132 VAL -4.28 1.04 1 133 ILE -4.32 0.22 1 134 ALA 2.67 -0.37 1 135 ASP 2.15 -0.40 1 137 GLN 1.06 -0.28 1 138 LEU -5.48 0.62 1 139 PHE -5.08 0.72 1 140 VAL 2.26 -0.62 1 142 LEU 4.97 0.62 1 143 ALA -7.13 -0.10 1 144 LEU -5.21 0.44 1 145 ASP -2.68 0.78 1 147 THR 5.00 -0.26 1 148 ASN -2.70 0.27 1 149 GLN -2.36 0.60 1 150 TYR -0.03 0.12 1 152 LEU -0.11 0.25 1 153 SER 5.70 -0.56 1 154 ASP 6.20 -0.40 1 155 GLU 3.02 -0.18 1 156 ARG 3.75 -0.06 1 157 ILE 5.78 -0.74 1 158 GLN 5.92 -0.38 1 159 SER 5.18 -0.02 1 160 TRP 5.49 -0.21 1 162 GLU 3.60 -0.43 1 163 GLN 4.49 -0.17 1 164 ILE 6.23 -0.11 1 165 LEU 4.32 -0.24 1 166 ASN 3.27 -0.17 1 167 GLU 2.29 -0.25 1 168 MET 3.30 -0.48 1 169 ALA 3.18 -0.16 1 170 GLU 1.57 -0.26 1 171 HIS 0.80 -0.26 1 172 TYR -0.19 0.04 1 173 ALA 1.28 -0.23 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25155_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -9.03 _LACS_plot.Line_1_terminator_val_y_1 -2.70 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.91 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.42 _LACS_plot.Line_2_terminator_val_x_2 9.43 _LACS_plot.Line_2_terminator_val_y_2 3.37 _LACS_plot.Y_axis_chem_shift_offset -0.25 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 140 VAL 2.26 -3.44 0 139 PHE -5.08 3.05 0 17 ALA 3.71 -0.06 1 18 ALA 3.26 1.24 1 19 GLU 3.57 1.89 1 20 LYS 1.00 -1.27 1 21 ILE 5.31 1.28 1 22 ARG 5.76 0.97 1 23 ASP 3.98 2.17 1 24 ILE 3.46 1.90 1 25 ILE 5.84 0.42 1 28 GLU 2.36 0.40 1 29 LEU -1.66 -1.92 1 30 VAL -2.69 -1.93 1 31 THR -0.70 -2.03 1 32 LEU -1.75 -1.17 1 33 HIS -2.75 -2.19 1 34 ASN -1.22 2.73 1 35 LEU 1.09 -0.24 1 36 LYS 3.36 -0.06 1 37 ASP -2.95 -0.80 1 38 ASP -2.50 -1.40 1 39 SER -3.15 1.83 1 41 LYS 2.80 2.98 1 42 LEU 2.51 1.03 1 43 MET 4.68 1.41 1 44 GLU 2.95 1.52 1 45 GLN 1.31 -0.52 1 46 TYR -1.99 -0.42 1 47 ASP 0.73 -0.62 1 48 VAL -5.50 -2.12 1 49 LEU -5.87 -2.79 1 50 ILE -2.60 -1.11 1 51 LEU -2.94 -3.06 1 53 ILE -6.95 -0.53 1 55 THR 0.04 -0.71 1 58 PHE -3.84 1.27 1 63 GLU 4.17 0.53 1 64 ASP 3.62 2.38 1 65 TRP 2.50 2.58 1 66 GLU 4.39 2.26 1 67 ALA 2.41 1.81 1 68 VAL -1.84 0.50 1 69 TRP 1.83 2.54 1 70 ASP 3.09 2.39 1 71 GLN 2.50 2.87 1 72 LEU 2.94 0.71 1 73 ASP 4.21 1.25 1 74 ASP -0.75 0.12 1 75 LEU -1.58 -0.80 1 76 ASN 0.17 -0.27 1 77 LEU -3.29 -2.49 1 78 GLU 2.53 2.07 1 80 LYS 0.67 -1.30 1 81 ILE -1.33 -1.65 1 82 VAL -4.48 -3.62 1 83 ALA -7.12 -1.93 1 84 LEU -4.03 -2.11 1 85 TYR -6.45 -3.24 1 87 LEU -5.97 0.12 1 89 ASP -2.80 0.31 1 90 GLN 3.61 -2.48 1 91 LEU 1.46 2.24 1 93 TYR -0.97 1.91 1 95 GLU 3.85 -1.45 1 96 TRP -0.75 0.52 1 98 LEU 4.70 -0.99 1 99 ASP 5.81 2.58 1 100 ALA 2.00 0.69 1 101 LEU 2.45 1.45 1 103 MET 4.65 3.35 1 104 LEU 3.95 0.15 1 105 HIS 6.18 3.45 1 106 ASP 4.10 3.11 1 107 LYS 3.80 1.72 1 108 LEU 1.74 1.45 1 109 SER 5.06 1.25 1 110 THR 1.22 0.98 1 111 LYS 1.70 0.21 1 113 VAL -2.55 -1.74 1 114 LYS -2.45 -1.67 1 115 PHE -0.54 1.78 1 116 VAL -4.54 -1.00 1 118 TYR 0.73 1.73 1 119 TRP -9.03 -1.80 1 121 THR -0.48 1.62 1 122 GLU 1.70 1.14 1 124 TYR -3.25 -0.23 1 125 GLU -2.34 -3.72 1 126 PHE -1.45 -2.00 1 127 THR -1.42 0.40 1 128 SER -2.59 2.66 1 130 LYS 9.43 2.09 1 132 VAL -4.28 -1.16 1 133 ILE -4.32 -0.91 1 134 ALA 2.67 0.59 1 135 ASP 2.15 0.09 1 137 GLN 1.06 0.42 1 138 LEU -5.48 -1.90 1 143 ALA -7.13 -2.30 1 144 LEU -5.21 -2.90 1 145 ASP -2.68 -0.12 1 147 THR 5.00 1.16 1 148 ASN -2.70 0.55 1 149 GLN -2.36 2.28 1 150 TYR -0.03 2.78 1 152 LEU -0.11 0.70 1 155 GLU 3.02 2.82 1 156 ARG 3.75 1.05 1 157 ILE 5.78 2.08 1 158 GLN 5.92 2.73 1 159 SER 5.18 2.72 1 160 TRP 5.49 1.83 1 162 GLU 3.60 2.10 1 163 GLN 4.49 3.70 1 164 ILE 6.23 2.28 1 165 LEU 4.32 2.95 1 166 ASN 3.27 0.49 1 167 GLU 2.29 3.92 1 168 MET 3.30 0.56 1 169 ALA 3.18 1.99 1 170 GLU 1.57 1.15 1 171 HIS 0.80 1.75 1 172 TYR -0.19 -1.31 1 173 ALA 1.28 4.73 1 stop_ save_