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 bmr26912_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.17 _LACS_plot.Line_1_terminator_val_y_1 -3.01 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.98 _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 8.39 _LACS_plot.Line_2_terminator_val_y_2 6.42 _LACS_plot.Y_axis_chem_shift_offset -0.05 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 137 ALA -7.17 -2.31 0 131 VAL 1.83 -1.24 0 144 ILE 1.81 4.45 0 10 VAL -4.40 -2.63 1 11 TYR -5.71 -3.09 1 12 VAL -1.46 -1.55 1 14 ASN 1.73 0.75 1 15 LEU 0.48 0.22 1 18 ASN 2.90 1.08 1 19 THR 2.09 1.91 1 21 ILE 1.42 1.06 1 22 ASP 3.01 2.00 1 23 GLU 2.48 2.38 1 24 ILE 4.06 2.93 1 25 LEU 4.90 2.50 1 26 SER 3.19 2.80 1 28 VAL 1.63 0.53 1 29 ARG -1.43 -0.49 1 30 THR 1.75 0.95 1 34 GLU 0.57 1.85 1 35 SER -2.91 -0.75 1 36 ALA -5.68 -1.40 1 37 TRP -1.80 -0.04 1 38 ILE -5.35 -1.54 1 39 LEU -2.25 -1.50 1 41 GLU 3.49 2.15 1 42 LYS -2.39 -1.75 1 43 ASN 2.84 1.12 1 45 ALA -6.41 -2.80 1 46 PHE -2.36 -0.92 1 47 ILE -2.29 -0.19 1 48 SER 3.66 4.35 1 53 SER 4.56 3.33 1 54 HIS -1.02 1.45 1 55 ALA 2.62 2.00 1 56 THR 6.82 5.69 1 57 ALA 3.79 2.85 1 58 PHE 4.02 3.48 1 59 PHE 3.60 3.79 1 60 GLN 3.85 2.86 1 61 ASP 2.64 3.34 1 62 ALA 3.16 1.97 1 63 ALA 2.75 1.57 1 64 LEU 2.19 2.18 1 65 LYS 0.35 -0.10 1 66 ARG 4.31 0.82 1 67 LEU 0.67 1.15 1 68 THR -4.80 -2.55 1 69 ILE -2.51 -1.01 1 70 ARG 4.00 1.27 1 72 THR -0.80 0.34 1 73 GLU 0.93 0.37 1 74 VAL -0.84 -2.05 1 75 LYS -3.35 -1.81 1 76 VAL -2.04 -2.18 1 78 TRP -2.09 -0.51 1 80 LYS -0.50 -1.56 1 82 SER -1.36 -0.78 1 83 ALA -0.13 -0.13 1 89 LEU 4.25 2.73 1 90 LEU 3.46 2.70 1 91 ALA 3.79 2.45 1 92 VAL 7.71 6.44 1 93 GLN 3.28 3.16 1 94 GLN 2.10 2.36 1 95 SER -1.85 -0.43 1 97 ALA -0.08 -0.09 1 100 ASN -1.56 -1.65 1 101 VAL -1.20 -0.30 1 102 PHE -1.93 -1.08 1 103 LEU -5.13 -3.16 1 105 ASN 2.39 0.76 1 106 LEU 1.38 -0.31 1 108 ASN 2.34 1.50 1 110 ILE 0.80 0.33 1 111 THR -4.73 -1.78 1 112 GLU 4.62 3.93 1 113 ASP 4.11 3.30 1 114 GLU 2.59 2.55 1 115 ILE 5.51 4.43 1 116 ARG 6.18 5.22 1 117 GLU 3.02 2.83 1 118 ASP 0.52 0.75 1 119 LEU 1.99 -0.40 1 120 GLU 6.47 5.64 1 122 PHE 4.22 2.52 1 127 GLN -5.72 -1.32 1 128 ILE -2.45 -0.25 1 129 LYS -4.44 -1.82 1 130 ILE -0.40 0.05 1 132 THR 5.80 4.58 1 133 GLU 3.55 2.40 1 134 ARG -3.20 -1.32 1 135 ASN 4.68 1.99 1 136 ILE -6.56 -2.73 1 138 PHE -2.71 -1.14 1 145 ALA 4.35 3.24 1 146 ALA 1.62 2.22 1 147 ALA 0.24 2.28 1 148 ILE 2.61 2.63 1 149 LYS 3.83 3.20 1 150 ALA 3.20 2.14 1 151 VAL 6.07 4.22 1 152 GLN 2.49 2.28 1 153 GLU 0.02 1.34 1 154 LEU 8.40 6.59 1 156 LEU 0.88 -0.33 1 157 ASN -1.62 -0.68 1 159 LYS 2.47 2.29 1 160 TRP 0.22 0.50 1 161 SER 3.47 3.35 1 162 LYS 0.91 -0.62 1 163 ARG -0.27 -0.43 1 164 ARG -1.62 -0.67 1 165 ILE -3.42 -0.86 1 166 TYR -1.31 -1.21 1 167 TYR -0.17 1.39 1 169 ARG -3.57 -0.43 1 173 ALA -2.32 -2.51 1 174 VAL 2.34 1.45 1 176 LEU 0.11 0.12 1 177 LYS 0.93 1.51 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26912_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.17 _LACS_plot.Line_1_terminator_val_y_1 4.16 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.02 _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 8.39 _LACS_plot.Line_2_terminator_val_y_2 -1.97 _LACS_plot.Y_axis_chem_shift_offset -0.05 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 137 ALA -7.17 4.86 0 131 VAL 1.83 -3.07 0 144 ILE 1.81 2.64 0 10 VAL -4.40 1.77 1 11 TYR -5.71 2.62 1 12 VAL -1.46 -0.09 1 14 ASN 1.73 -0.98 1 15 LEU 0.48 -0.26 1 18 ASN 2.90 -1.82 1 19 THR 2.09 -0.18 1 21 ILE 1.42 -0.36 1 22 ASP 3.01 -1.01 1 23 GLU 2.48 -0.10 1 24 ILE 4.06 -1.13 1 25 LEU 4.90 -2.40 1 26 SER 3.19 -0.39 1 28 VAL 1.63 -1.10 1 29 ARG -1.43 0.94 1 30 THR 1.75 -0.80 1 34 GLU 0.57 1.28 1 35 SER -2.91 2.16 1 36 ALA -5.68 4.28 1 37 TRP -1.80 1.76 1 38 ILE -5.35 3.81 1 39 LEU -2.25 0.75 1 41 GLU 3.49 -1.34 1 42 LYS -2.39 0.64 1 43 ASN 2.84 -1.72 1 45 ALA -6.41 3.61 1 46 PHE -2.36 1.44 1 47 ILE -2.29 2.10 1 48 SER 3.66 0.69 1 53 SER 4.56 -1.23 1 54 HIS -1.02 2.47 1 55 ALA 2.62 -0.62 1 56 THR 6.82 -1.13 1 57 ALA 3.79 -0.94 1 58 PHE 4.02 -0.54 1 59 PHE 3.60 0.19 1 60 GLN 3.85 -0.99 1 61 ASP 2.64 0.70 1 62 ALA 3.16 -1.19 1 63 ALA 2.75 -1.18 1 64 LEU 2.19 -0.01 1 65 LYS 0.35 -0.45 1 66 ARG 4.31 -3.49 1 67 LEU 0.67 0.48 1 68 THR -4.80 2.25 1 69 ILE -2.51 1.50 1 70 ARG 4.00 -2.73 1 72 THR -0.80 1.14 1 73 GLU 0.93 -0.56 1 74 VAL -0.84 -1.21 1 75 LYS -3.35 1.54 1 76 VAL -2.04 -0.14 1 78 TRP -2.09 1.58 1 80 LYS -0.50 -1.06 1 82 SER -1.36 0.58 1 83 ALA -0.13 0.00 1 89 LEU 4.25 -1.52 1 90 LEU 3.46 -0.76 1 91 ALA 3.79 -1.34 1 92 VAL 7.71 -1.27 1 93 GLN 3.28 -0.12 1 94 GLN 2.10 0.26 1 95 SER -1.85 1.42 1 97 ALA -0.08 -0.01 1 100 ASN -1.56 -0.09 1 101 VAL -1.20 0.90 1 102 PHE -1.93 0.85 1 103 LEU -5.13 1.97 1 105 ASN 2.39 -1.63 1 106 LEU 1.38 -1.69 1 108 ASN 2.34 -0.84 1 110 ILE 0.80 -0.47 1 111 THR -4.73 2.95 1 112 GLU 4.62 -0.69 1 113 ASP 4.11 -0.81 1 114 GLU 2.59 -0.04 1 115 ILE 5.51 -1.08 1 116 ARG 6.18 -0.96 1 117 GLU 3.02 -0.19 1 118 ASP 0.52 0.23 1 119 LEU 1.99 -2.39 1 120 GLU 6.47 -0.83 1 122 PHE 4.22 -1.70 1 127 GLN -5.72 4.40 1 128 ILE -2.45 2.20 1 129 LYS -4.44 2.62 1 130 ILE -0.40 0.45 1 132 THR 5.80 -1.22 1 133 GLU 3.55 -1.15 1 134 ARG -3.20 1.88 1 135 ASN 4.68 -2.69 1 136 ILE -6.56 3.83 1 138 PHE -2.71 1.57 1 145 ALA 4.35 -1.11 1 146 ALA 1.62 0.60 1 147 ALA 0.24 2.04 1 148 ILE 2.61 0.02 1 149 LYS 3.83 -0.63 1 150 ALA 3.20 -1.06 1 151 VAL 6.07 -1.85 1 152 GLN 2.49 -0.21 1 153 GLU 0.02 1.32 1 154 LEU 8.40 -1.81 1 156 LEU 0.88 -1.21 1 157 ASN -1.62 0.94 1 159 LYS 2.47 -0.18 1 160 TRP 0.22 0.28 1 161 SER 3.47 -0.12 1 162 LYS 0.91 -1.53 1 163 ARG -0.27 -0.16 1 164 ARG -1.62 0.95 1 165 ILE -3.42 2.56 1 166 TYR -1.31 0.10 1 167 TYR -0.17 1.56 1 169 ARG -3.57 3.14 1 173 ALA -2.32 -0.19 1 174 VAL 2.34 -0.89 1 176 LEU 0.11 0.01 1 177 LYS 0.93 0.58 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26912_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.17 _LACS_plot.Line_1_terminator_val_y_1 0.82 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.20 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.23 _LACS_plot.Line_2_terminator_val_x_2 8.39 _LACS_plot.Line_2_terminator_val_y_2 -0.86 _LACS_plot.Y_axis_chem_shift_offset -0.02 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 59 PHE 3.60 -1.37 0 55 ALA 2.62 -1.38 0 10 VAL -4.40 0.78 1 11 TYR -5.71 0.67 1 12 VAL -1.46 0.43 1 14 ASN 1.73 -0.49 1 18 ASN 2.90 -0.52 1 19 THR 2.09 -0.43 1 21 ILE 1.42 -0.29 1 22 ASP 3.01 -0.59 1 23 GLU 2.48 -0.30 1 24 ILE 4.06 -0.52 1 26 SER 3.19 -0.23 1 28 VAL 1.63 -0.22 1 30 THR 1.75 0.24 1 36 ALA -5.68 1.19 1 37 TRP -1.80 0.38 1 38 ILE -5.35 0.71 1 39 LEU -2.25 0.53 1 41 GLU 3.49 -0.17 1 42 LYS -2.39 0.23 1 43 ASN 2.84 -0.42 1 45 ALA -6.41 0.66 1 46 PHE -2.36 0.14 1 47 ILE -2.29 0.00 1 53 SER 4.56 -0.18 1 54 HIS -1.02 -0.23 1 56 THR 6.82 -0.27 1 57 ALA 3.79 -0.14 1 58 PHE 4.02 -0.36 1 60 GLN 3.85 -0.42 1 61 ASP 2.64 -0.32 1 62 ALA 3.16 -0.58 1 63 ALA 2.75 -0.38 1 64 LEU 2.19 -0.25 1 65 LYS 0.35 -0.19 1 66 ARG 4.31 -0.49 1 67 LEU 0.67 -0.27 1 68 THR -4.80 0.79 1 69 ILE -2.51 -0.04 1 70 ARG 4.00 -0.52 1 72 THR -0.80 0.03 1 73 GLU 0.93 0.03 1 74 VAL -0.84 0.36 1 75 LYS -3.35 0.23 1 76 VAL -2.04 0.81 1 78 TRP -2.09 0.41 1 82 SER -1.36 0.03 1 83 ALA -0.13 0.01 1 89 LEU 4.25 -0.44 1 90 LEU 3.46 -0.21 1 91 ALA 3.79 -0.09 1 95 SER -1.85 0.43 1 97 ALA -0.08 -0.15 1 101 VAL -1.20 0.16 1 102 PHE -1.93 -0.15 1 103 LEU -5.13 0.64 1 105 ASN 2.39 -0.41 1 106 LEU 1.38 -0.70 1 108 ASN 2.34 -0.40 1 110 ILE 0.80 0.04 1 111 THR -4.73 0.33 1 112 GLU 4.62 -0.69 1 113 ASP 4.11 -0.35 1 114 GLU 2.59 -0.31 1 115 ILE 5.51 -0.39 1 116 ARG 6.18 -0.78 1 117 GLU 3.02 -0.39 1 118 ASP 0.52 0.18 1 119 LEU 1.99 0.57 1 120 GLU 6.47 -0.03 1 122 PHE 4.22 -0.44 1 127 GLN -5.72 0.22 1 128 ILE -2.45 0.54 1 129 LYS -4.44 0.43 1 130 ILE -0.40 0.10 1 131 VAL 1.83 0.33 1 132 THR 5.80 -0.54 1 133 GLU 3.55 -0.18 1 134 ARG -3.20 0.29 1 135 ASN 4.68 -0.45 1 136 ILE -6.56 1.03 1 137 ALA -7.17 0.70 1 138 PHE -2.71 0.79 1 145 ALA 4.35 0.22 1 146 ALA 1.62 -0.54 1 147 ALA 0.24 -0.81 1 148 ILE 2.61 0.05 1 149 LYS 3.83 -0.49 1 150 ALA 3.20 -0.80 1 151 VAL 6.07 -0.99 1 152 GLN 2.49 -0.33 1 153 GLU 0.02 0.06 1 154 LEU 8.40 -0.43 1 156 LEU 0.88 -0.14 1 157 ASN -1.62 -0.07 1 159 LYS 2.47 -0.32 1 160 TRP 0.22 -0.66 1 161 SER 3.47 -0.15 1 162 LYS 0.91 0.23 1 164 ARG -1.62 0.27 1 165 ILE -3.42 0.91 1 167 TYR -0.17 0.51 1 173 ALA -2.32 -0.29 1 174 VAL 2.34 -0.25 1 176 LEU 0.11 -0.11 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26912_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.17 _LACS_plot.Line_1_terminator_val_y_1 -3.36 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.39 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.15 _LACS_plot.Line_2_terminator_val_x_2 8.39 _LACS_plot.Line_2_terminator_val_y_2 2.55 _LACS_plot.Y_axis_chem_shift_offset 0.43 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 154 LEU 8.40 -0.41 0 54 HIS -1.02 4.01 0 10 VAL -4.40 -2.20 1 11 TYR -5.71 -2.85 1 12 VAL -1.46 -1.48 1 14 ASN 1.73 -0.79 1 15 LEU 0.48 -0.06 1 18 ASN 2.90 -0.88 1 19 THR 2.09 -0.87 1 21 ILE 1.42 -0.51 1 22 ASP 3.01 2.39 1 23 GLU 2.48 1.85 1 24 ILE 4.06 1.79 1 25 LEU 4.90 1.39 1 26 SER 3.19 -0.38 1 28 VAL 1.63 -0.51 1 29 ARG -1.43 1.80 1 30 THR 1.75 -0.32 1 34 GLU 0.57 -0.28 1 35 SER -2.91 -2.87 1 36 ALA -5.68 -2.24 1 37 TRP -1.80 -3.69 1 38 ILE -5.35 -2.72 1 39 LEU -2.25 -0.54 1 41 GLU 3.49 0.48 1 42 LYS -2.39 -1.24 1 43 ASN 2.84 -2.01 1 45 ALA -6.41 -3.76 1 46 PHE -2.36 -1.69 1 47 ILE -2.29 -2.24 1 48 SER 3.66 0.99 1 53 SER 4.56 2.97 1 55 ALA 2.62 1.00 1 56 THR 6.82 1.18 1 57 ALA 3.79 2.09 1 58 PHE 4.02 -0.20 1 59 PHE 3.60 1.76 1 60 GLN 3.85 2.38 1 61 ASP 2.64 1.43 1 62 ALA 3.16 1.74 1 63 ALA 2.75 2.27 1 64 LEU 2.19 1.20 1 65 LYS 0.35 -0.61 1 66 ARG 4.31 -1.54 1 67 LEU 0.67 -2.12 1 68 THR -4.80 -1.38 1 69 ILE -2.51 -1.38 1 70 ARG 4.00 0.54 1 72 THR -0.80 -1.89 1 73 GLU 0.93 -0.82 1 74 VAL -0.84 -1.81 1 75 LYS -3.35 -2.11 1 76 VAL -2.04 -0.90 1 78 TRP -2.09 1.71 1 80 LYS -0.50 0.34 1 82 SER -1.36 -0.94 1 83 ALA -0.13 0.16 1 90 LEU 3.46 0.67 1 91 ALA 3.79 3.78 1 93 GLN 3.28 2.19 1 94 GLN 2.10 2.05 1 95 SER -1.85 -0.30 1 97 ALA -0.08 -0.41 1 100 ASN -1.56 -1.14 1 101 VAL -1.20 -2.71 1 102 PHE -1.93 -3.24 1 103 LEU -5.13 -2.93 1 105 ASN 2.39 -0.62 1 106 LEU 1.38 -1.23 1 108 ASN 2.34 1.78 1 110 ILE 0.80 -3.17 1 111 THR -4.73 0.82 1 112 GLU 4.62 1.49 1 113 ASP 4.11 2.03 1 114 GLU 2.59 2.70 1 115 ILE 5.51 1.17 1 116 ARG 6.18 1.24 1 117 GLU 3.02 1.21 1 118 ASP 0.52 -0.21 1 119 LEU 1.99 -0.53 1 120 GLU 6.47 0.70 1 122 PHE 4.22 -0.52 1 127 GLN -5.72 -2.86 1 128 ILE -2.45 -2.44 1 129 LYS -4.44 -2.17 1 130 ILE -0.40 -0.49 1 131 VAL 1.83 0.54 1 132 THR 5.80 2.71 1 133 GLU 3.55 0.11 1 134 ARG -3.20 -1.50 1 135 ASN 4.68 -1.75 1 136 ILE -6.56 -2.64 1 137 ALA -7.17 -4.42 1 138 PHE -2.71 -2.45 1 144 ILE 1.81 -0.52 1 145 ALA 4.35 1.92 1 146 ALA 1.62 -0.67 1 147 ALA 0.24 0.81 1 148 ILE 2.61 1.98 1 149 LYS 3.83 0.82 1 150 ALA 3.20 1.20 1 151 VAL 6.07 0.98 1 152 GLN 2.49 2.58 1 153 GLU 0.02 2.64 1 156 LEU 0.88 0.39 1 157 ASN -1.62 1.79 1 159 LYS 2.47 1.19 1 160 TRP 0.22 0.89 1 161 SER 3.47 0.99 1 162 LYS 0.91 0.12 1 163 ARG -0.27 -1.97 1 164 ARG -1.62 -1.75 1 165 ILE -3.42 -1.59 1 166 TYR -1.31 -2.23 1 167 TYR -0.17 1.52 1 169 ARG -3.57 0.21 1 173 ALA -2.32 -0.32 1 174 VAL 2.34 -0.32 1 176 LEU 0.11 -1.42 1 177 LYS 0.93 -0.72 1 stop_ save_