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 bmr18344_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.84 _LACS_plot.Line_1_terminator_val_y_1 -4.31 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 0.51 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -2.24 _LACS_plot.Line_2_terminator_val_x_2 8.48 _LACS_plot.Line_2_terminator_val_y_2 6.10 _LACS_plot.Y_axis_chem_shift_offset 0.56 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 53 ILE 8.13 -3.08 0 11 SER 3.74 2.33 1 12 ARG 4.79 3.10 1 13 ARG 4.83 3.11 1 14 THR 8.48 5.71 1 15 LEU 3.66 2.43 1 16 MET 3.61 2.60 1 17 LEU 3.20 2.49 1 18 LEU 2.75 2.07 1 19 ALA 3.80 2.10 1 20 GLN 2.69 1.67 1 21 MET 0.79 1.25 1 22 ARG 2.35 2.43 1 23 LYS -2.03 0.55 1 24 ILE -3.90 -1.89 1 25 SER -2.01 -2.06 1 26 LEU 3.09 1.87 1 27 PHE 3.87 1.78 1 28 SER 1.57 0.86 1 30 LEU 4.04 2.58 1 31 LYS 3.31 1.24 1 32 ASP -0.66 -0.70 1 33 ARG 2.56 1.31 1 34 HIS -2.34 -0.35 1 35 ASP -1.57 -2.44 1 36 PHE 0.68 1.35 1 38 PHE 0.56 -0.49 1 40 GLN 3.08 1.95 1 41 GLU 3.77 0.72 1 42 GLU 2.15 -0.89 1 43 PHE -0.46 -0.81 1 45 ASN 1.24 0.22 1 46 GLN 2.24 0.53 1 47 PHE -0.02 -0.49 1 48 GLN 0.49 -0.71 1 49 LYS 3.30 1.88 1 50 ALA 2.06 1.20 1 51 GLU 1.51 -0.06 1 52 THR 1.60 0.63 1 55 VAL 5.24 3.11 1 56 LEU 3.43 2.38 1 57 HIS 6.55 4.99 1 58 GLU 3.72 2.05 1 59 MET 4.05 3.25 1 60 ILE 6.35 3.74 1 61 GLN 3.55 2.46 1 62 GLN 7.17 1.64 1 63 ILE 6.77 5.46 1 64 PHE 5.83 3.90 1 65 ASN 4.42 2.21 1 66 LEU 2.66 2.34 1 67 PHE 2.88 1.36 1 68 SER 1.41 0.42 1 69 THR -3.15 -1.04 1 70 LYS 4.01 1.89 1 71 ASP 3.40 2.14 1 72 SER 3.02 1.41 1 73 SER 3.98 2.45 1 74 ALA 0.79 -0.26 1 75 ALA 1.49 0.00 1 76 TRP -7.84 -4.62 1 77 ASP -0.65 0.06 1 78 GLU 4.26 2.40 1 79 THR 6.33 3.90 1 80 LEU 3.34 1.96 1 81 LEU 3.88 2.00 1 82 ASP 5.44 1.82 1 83 LYS 3.29 2.75 1 84 PHE 2.93 2.00 1 85 TYR 2.72 0.14 1 86 THR 6.16 4.70 1 87 GLU 3.39 1.17 1 88 LEU 4.20 2.42 1 89 TYR 4.67 3.01 1 90 GLN 4.50 2.80 1 91 GLN 3.01 3.11 1 92 LEU 4.73 3.00 1 93 ASN 3.96 2.64 1 94 ASP 4.49 1.97 1 95 LEU 2.83 2.17 1 96 GLU 3.38 0.81 1 97 ALA 2.51 1.08 1 99 VAL 3.53 1.93 1 100 ILE 1.80 0.64 1 101 GLN 0.77 0.28 1 103 VAL -0.28 -0.90 1 105 VAL 0.03 -0.59 1 106 THR -2.20 -2.43 1 107 GLU 1.48 -0.10 1 108 THR 2.81 1.90 1 110 LEU 3.17 2.12 1 111 MET 4.00 2.67 1 112 LYS 3.54 1.16 1 113 GLU 5.08 1.62 1 114 ASP 4.24 2.83 1 115 SER 5.45 3.20 1 116 ILE 3.92 2.33 1 117 LEU 4.25 2.50 1 118 ALA 6.00 4.47 1 119 VAL 6.94 5.25 1 120 ARG 4.66 3.20 1 121 LYS 3.88 2.41 1 122 TYR 6.25 5.13 1 123 PHE 5.38 3.18 1 124 GLN 5.80 4.59 1 125 ARG 5.97 4.08 1 126 ILE 6.63 5.07 1 127 THR 3.85 2.45 1 128 LEU 3.18 2.65 1 129 TYR 4.03 2.49 1 130 LEU 4.13 3.04 1 131 LYS 4.14 1.63 1 132 GLU -0.97 -2.61 1 133 LYS 5.36 0.56 1 134 LYS 6.03 1.36 1 135 TYR 1.20 0.12 1 136 SER 2.39 1.60 1 139 ALA 2.65 2.22 1 140 TRP 2.93 0.73 1 141 GLU 6.14 4.39 1 142 VAL 7.04 5.08 1 143 VAL 6.27 4.62 1 144 ARG 3.84 2.39 1 145 ALA 3.97 1.27 1 146 GLU 3.85 -0.24 1 147 ILE 5.34 4.19 1 148 MET 4.28 3.03 1 149 ARG 4.38 3.41 1 151 PHE 2.72 2.16 1 153 LEU 3.69 2.58 1 154 SER 0.67 -0.19 1 155 THR 2.03 0.67 1 156 ASN 1.02 0.48 1 157 LEU 1.47 0.45 1 158 GLN 0.74 -0.60 1 159 GLU 0.11 -0.39 1 160 SER 0.45 -0.24 1 161 LEU 0.36 -0.38 1 162 ARG 0.00 -0.46 1 163 SER 0.30 -0.37 1 164 LYS 0.66 -0.22 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18344_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.84 _LACS_plot.Line_1_terminator_val_y_1 3.53 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -1.48 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.24 _LACS_plot.Line_2_terminator_val_x_2 8.48 _LACS_plot.Line_2_terminator_val_y_2 -2.38 _LACS_plot.Y_axis_chem_shift_offset 0.56 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 53 ILE 8.13 -11.21 0 11 SER 3.74 -1.41 1 12 ARG 4.79 -1.69 1 13 ARG 4.83 -1.72 1 14 THR 8.48 -2.77 1 15 LEU 3.66 -1.23 1 16 MET 3.61 -1.01 1 17 LEU 3.20 -0.71 1 18 LEU 2.75 -0.68 1 19 ALA 3.80 -1.70 1 20 GLN 2.69 -1.02 1 21 MET 0.79 0.46 1 22 ARG 2.35 0.08 1 23 LYS -2.03 2.58 1 24 ILE -3.90 2.01 1 25 SER -2.01 -0.05 1 26 LEU 3.09 -1.22 1 27 PHE 3.87 -2.09 1 28 SER 1.57 -0.71 1 30 LEU 4.04 -1.46 1 31 LYS 3.31 -2.07 1 32 ASP -0.66 -0.04 1 33 ARG 2.56 -1.25 1 34 HIS -2.34 1.99 1 35 ASP -1.57 -0.87 1 36 PHE 0.68 0.67 1 38 PHE 0.56 -1.05 1 40 GLN 3.08 -1.13 1 41 GLU 3.77 -3.05 1 42 GLU 2.15 -3.04 1 43 PHE -0.46 -0.35 1 45 ASN 1.24 -1.02 1 46 GLN 2.24 -1.71 1 47 PHE -0.02 -0.47 1 48 GLN 0.49 -1.20 1 49 LYS 3.30 -1.42 1 50 ALA 2.06 -0.86 1 51 GLU 1.51 -1.57 1 52 THR 1.60 -0.97 1 55 VAL 5.24 -2.13 1 56 LEU 3.43 -1.05 1 57 HIS 6.55 -1.56 1 58 GLU 3.72 -1.67 1 59 MET 4.05 -0.80 1 60 ILE 6.35 -2.61 1 61 GLN 3.55 -1.09 1 62 GLN 7.17 -5.53 1 63 ILE 6.77 -1.31 1 64 PHE 5.83 -1.93 1 65 ASN 4.42 -2.21 1 66 LEU 2.66 -0.32 1 67 PHE 2.88 -1.52 1 68 SER 1.41 -0.99 1 69 THR -3.15 2.11 1 70 LYS 4.01 -2.12 1 71 ASP 3.40 -1.26 1 72 SER 3.02 -1.61 1 73 SER 3.98 -1.53 1 74 ALA 0.79 -1.05 1 75 ALA 1.49 -1.49 1 76 TRP -7.84 3.22 1 77 ASP -0.65 0.71 1 78 GLU 4.26 -1.86 1 79 THR 6.33 -2.43 1 80 LEU 3.34 -1.38 1 81 LEU 3.88 -1.88 1 82 ASP 5.44 -3.62 1 83 LYS 3.29 -0.54 1 84 PHE 2.93 -0.93 1 85 TYR 2.72 -2.58 1 86 THR 6.16 -1.46 1 87 GLU 3.39 -2.22 1 88 LEU 4.20 -1.78 1 89 TYR 4.67 -1.66 1 90 GLN 4.50 -1.70 1 91 GLN 3.01 0.10 1 92 LEU 4.73 -1.73 1 93 ASN 3.96 -1.32 1 94 ASP 4.49 -2.52 1 95 LEU 2.83 -0.66 1 96 GLU 3.38 -2.57 1 97 ALA 2.51 -1.43 1 99 VAL 3.53 -1.60 1 100 ILE 1.80 -1.16 1 101 GLN 0.77 -0.49 1 103 VAL -0.28 -0.62 1 105 VAL 0.03 -0.62 1 106 THR -2.20 -0.23 1 107 GLU 1.48 -1.58 1 108 THR 2.81 -0.91 1 110 LEU 3.17 -1.05 1 111 MET 4.00 -1.33 1 112 LYS 3.54 -2.38 1 113 GLU 5.08 -3.46 1 114 ASP 4.24 -1.41 1 115 SER 5.45 -2.25 1 116 ILE 3.92 -1.59 1 117 LEU 4.25 -1.75 1 118 ALA 6.00 -1.53 1 119 VAL 6.94 -1.69 1 120 ARG 4.66 -1.46 1 121 LYS 3.88 -1.47 1 122 TYR 6.25 -1.12 1 123 PHE 5.38 -2.20 1 124 GLN 5.80 -1.21 1 125 ARG 5.97 -1.89 1 126 ILE 6.63 -1.56 1 127 THR 3.85 -1.40 1 128 LEU 3.18 -0.53 1 129 TYR 4.03 -1.54 1 130 LEU 4.13 -1.09 1 131 LYS 4.14 -2.51 1 132 GLU -0.97 -1.64 1 133 LYS 5.36 -4.80 1 134 LYS 6.03 -4.67 1 135 TYR 1.20 -1.08 1 136 SER 2.39 -0.79 1 139 ALA 2.65 -0.43 1 140 TRP 2.93 -2.20 1 141 GLU 6.14 -1.75 1 142 VAL 7.04 -1.96 1 143 VAL 6.27 -1.65 1 144 ARG 3.84 -1.45 1 145 ALA 3.97 -2.70 1 146 GLU 3.85 -4.09 1 147 ILE 5.34 -1.15 1 148 MET 4.28 -1.25 1 149 ARG 4.38 -0.97 1 151 PHE 2.72 -0.56 1 153 LEU 3.69 -1.11 1 154 SER 0.67 -0.86 1 155 THR 2.03 -1.36 1 156 ASN 1.02 -0.54 1 157 LEU 1.47 -1.02 1 158 GLN 0.74 -1.34 1 159 GLU 0.11 -0.50 1 160 SER 0.45 -0.69 1 161 LEU 0.36 -0.74 1 162 ARG 0.00 -0.46 1 163 SER 0.30 -0.67 1 164 LYS 0.66 -0.88 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18344_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.84 _LACS_plot.Line_1_terminator_val_y_1 -3.19 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 0.76 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.83 _LACS_plot.Line_2_terminator_val_x_2 8.48 _LACS_plot.Line_2_terminator_val_y_2 3.24 _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 76 TRP -7.84 -1.31 0 11 SER 3.74 1.10 1 12 ARG 4.79 2.77 1 13 ARG 4.83 2.19 1 14 THR 8.48 0.92 1 15 LEU 3.66 1.04 1 16 MET 3.61 2.43 1 17 LEU 3.20 0.64 1 18 LEU 2.75 2.71 1 19 ALA 3.80 2.94 1 20 GLN 2.69 0.95 1 21 MET 0.79 -1.52 1 22 ARG 2.35 -0.35 1 23 LYS -2.03 0.05 1 24 ILE -3.90 -2.49 1 25 SER -2.01 1.91 1 26 LEU 3.09 1.32 1 27 PHE 3.87 1.34 1 28 SER 1.57 -0.06 1 30 LEU 4.04 2.24 1 31 LYS 3.31 0.17 1 32 ASP -0.66 -0.77 1 33 ARG 2.56 -0.99 1 34 HIS -2.34 -3.53 1 35 ASP -1.57 -0.34 1 36 PHE 0.68 0.87 1 38 PHE 0.56 1.84 1 40 GLN 3.08 1.00 1 41 GLU 3.77 0.78 1 42 GLU 2.15 -1.54 1 43 PHE -0.46 -0.12 1 45 ASN 1.24 0.73 1 46 GLN 2.24 -0.16 1 47 PHE -0.02 0.12 1 48 GLN 0.49 -1.69 1 49 LYS 3.30 -0.79 1 50 ALA 2.06 0.95 1 51 GLU 1.51 0.62 1 52 THR 1.60 0.62 1 55 VAL 5.24 1.40 1 56 LEU 3.43 1.04 1 57 HIS 6.55 1.62 1 58 GLU 3.72 1.18 1 59 MET 4.05 0.80 1 60 ILE 6.35 0.96 1 61 GLN 3.55 2.28 1 62 GLN 7.17 3.70 1 63 ILE 6.77 0.92 1 64 PHE 5.83 2.68 1 65 ASN 4.42 2.81 1 66 LEU 2.66 0.23 1 67 PHE 2.88 2.15 1 68 SER 1.41 -1.08 1 69 THR -3.15 1.05 1 70 LYS 4.01 2.67 1 71 ASP 3.40 2.07 1 72 SER 3.02 2.29 1 73 SER 3.98 0.25 1 74 ALA 0.79 -0.16 1 75 ALA 1.49 -0.59 1 77 ASP -0.65 0.58 1 78 GLU 4.26 0.90 1 79 THR 6.33 2.70 1 80 LEU 3.34 1.45 1 81 LEU 3.88 -0.48 1 82 ASP 5.44 2.72 1 83 LYS 3.29 1.98 1 84 PHE 2.93 1.43 1 85 TYR 2.72 2.29 1 86 THR 6.16 2.05 1 87 GLU 3.39 3.04 1 88 LEU 4.20 1.04 1 89 TYR 4.67 2.58 1 90 GLN 4.50 2.48 1 91 GLN 3.01 2.69 1 92 LEU 4.73 1.39 1 93 ASN 3.96 3.00 1 94 ASP 4.49 2.01 1 95 LEU 2.83 1.29 1 96 GLU 3.38 1.08 1 97 ALA 2.51 1.40 1 99 VAL 3.53 1.12 1 100 ILE 1.80 0.45 1 101 GLN 0.77 0.52 1 103 VAL -0.28 -0.04 1 105 VAL 0.03 -0.29 1 106 THR -2.20 -0.92 1 107 GLU 1.48 0.25 1 108 THR 2.81 0.70 1 110 LEU 3.17 2.61 1 111 MET 4.00 1.47 1 112 LYS 3.54 1.71 1 113 GLU 5.08 2.10 1 114 ASP 4.24 1.51 1 115 SER 5.45 2.17 1 116 ILE 3.92 1.19 1 117 LEU 4.25 3.82 1 118 ALA 6.00 1.53 1 119 VAL 6.94 3.57 1 120 ARG 4.66 1.90 1 121 LYS 3.88 0.65 1 122 TYR 6.25 3.23 1 123 PHE 5.38 2.83 1 124 GLN 5.80 3.98 1 125 ARG 5.97 0.50 1 126 ILE 6.63 2.12 1 127 THR 3.85 0.74 1 128 LEU 3.18 0.22 1 129 TYR 4.03 0.35 1 130 LEU 4.13 4.69 1 131 LYS 4.14 1.77 1 132 GLU -0.97 -1.27 1 133 LYS 5.36 -0.34 1 134 LYS 6.03 -1.72 1 135 TYR 1.20 -0.75 1 136 SER 2.39 2.39 1 139 ALA 2.65 3.00 1 140 TRP 2.93 1.53 1 141 GLU 6.14 3.95 1 142 VAL 7.04 0.18 1 143 VAL 6.27 1.90 1 144 ARG 3.84 2.97 1 145 ALA 3.97 0.75 1 146 GLU 3.85 1.89 1 147 ILE 5.34 1.91 1 148 MET 4.28 2.64 1 149 ARG 4.38 2.93 1 151 PHE 2.72 1.97 1 153 LEU 3.69 -0.36 1 154 SER 0.67 0.13 1 155 THR 2.03 0.36 1 156 ASN 1.02 -2.84 1 157 LEU 1.47 0.44 1 158 GLN 0.74 -0.41 1 159 GLU 0.11 -0.37 1 160 SER 0.45 -0.29 1 161 LEU 0.36 0.01 1 162 ARG 0.00 -0.38 1 163 SER 0.30 -0.92 1 164 LYS 0.66 3.33 1 stop_ save_