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 bmr30423_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.51 _LACS_plot.Line_1_terminator_val_y_1 -3.03 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.37 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.09 _LACS_plot.Line_2_terminator_val_x_2 7.69 _LACS_plot.Line_2_terminator_val_y_2 6.24 _LACS_plot.Y_axis_chem_shift_offset -0.38 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 100 THR -6.51 -3.03 0 10 ALA 4.05 3.49 1 11 GLN 4.04 3.51 1 12 ALA 1.02 2.61 1 13 LYS 5.22 4.68 1 14 ALA 4.04 3.40 1 15 LEU 3.12 2.68 1 17 ARG 6.05 5.17 1 18 GLU 2.97 2.73 1 19 TYR 2.24 3.62 1 20 VAL 7.03 5.60 1 21 HIS 5.21 5.19 1 22 ALA 3.07 3.27 1 23 ARG 3.44 1.46 1 24 LEU 5.35 4.09 1 25 LEU 3.67 3.33 1 26 ARG 3.67 3.38 1 27 ALA -0.76 -0.16 1 29 LEU -3.46 -1.60 1 30 SER -0.87 0.03 1 31 TRP -1.32 0.73 1 32 SER -1.63 -0.79 1 33 ALA -0.62 0.04 1 35 GLU 0.37 0.60 1 36 ARG 1.18 0.59 1 37 ALA -0.22 0.06 1 38 ALA -0.25 0.10 1 40 VAL 0.10 0.30 1 43 ARG 2.86 1.92 1 44 LEU 3.01 2.12 1 45 ALA 4.26 3.23 1 46 GLU 2.73 2.81 1 47 VAL 6.03 4.77 1 48 ALA 5.14 3.62 1 49 ALA 3.75 2.89 1 50 VAL 6.45 5.11 1 51 LEU 4.17 3.91 1 52 LEU 3.20 3.23 1 53 ARG 4.87 4.05 1 54 LEU 3.01 2.91 1 56 ASP 4.24 3.52 1 57 GLU 3.38 2.95 1 58 LEU 3.48 3.24 1 59 GLU 2.34 2.54 1 60 MET 2.26 2.15 1 61 ILE 1.72 2.04 1 62 ARG -0.63 0.25 1 64 SER 2.98 2.64 1 65 VAL 3.32 2.80 1 66 TYR 0.82 1.00 1 67 ARG -1.18 0.14 1 68 ASN 2.12 1.42 1 69 VAL 5.24 4.72 1 70 ALA 4.75 3.57 1 71 ARG 3.39 2.90 1 72 GLN 2.47 3.10 1 73 LEU 0.29 0.06 1 74 HIS 3.75 1.36 1 75 ILE -2.16 -0.16 1 76 SER -0.83 -0.32 1 77 LEU 1.05 -0.73 1 78 GLN 0.51 1.71 1 79 SER -3.16 -2.28 1 80 GLU 3.87 3.99 1 81 ARG 3.52 3.10 1 82 VAL 4.21 3.64 1 83 VAL 5.45 4.84 1 84 THR 7.08 5.93 1 85 ASP 4.58 3.61 1 86 ALA 2.92 2.90 1 87 PHE 3.93 3.65 1 88 LEU 3.68 2.84 1 89 ALA 3.72 2.89 1 90 VAL 5.48 4.31 1 91 ALA 4.84 2.99 1 93 HIS 4.02 3.86 1 94 ILE 5.55 4.81 1 95 PHE 2.36 1.27 1 96 SER 3.74 3.53 1 97 ALA -0.92 -0.78 1 99 ILE 0.51 1.81 1 101 TRP 3.82 4.24 1 103 LYS 2.43 3.27 1 104 VAL 7.54 6.40 1 105 VAL 7.53 5.95 1 106 SER 0.64 -0.01 1 107 LEU 3.94 3.88 1 108 TYR 7.69 5.96 1 109 ALA 3.88 3.46 1 110 VAL 6.15 5.33 1 111 ALA 4.89 3.41 1 112 ALA 2.67 2.63 1 114 LEU 2.19 2.55 1 115 ALA 2.50 2.97 1 116 VAL 5.94 4.82 1 117 ASP 4.08 4.18 1 118 ALA 4.59 3.46 1 119 VAL 7.32 5.60 1 120 ARG 5.01 4.60 1 121 GLN 1.10 0.13 1 122 ALA 3.15 0.57 1 123 GLN -0.52 -0.53 1 125 ALA 3.35 2.79 1 126 MET 2.16 1.57 1 127 VAL 7.55 5.76 1 128 HIS 4.59 4.36 1 129 ALA 3.66 2.72 1 130 LEU 3.09 3.13 1 131 VAL 7.04 5.38 1 132 ASP 4.98 4.01 1 133 ALA 3.65 2.99 1 134 LEU 4.80 4.60 1 136 GLU 2.52 2.06 1 137 PHE 5.47 5.25 1 138 VAL 6.98 5.14 1 139 ARG 4.39 4.49 1 140 LYS 1.75 2.74 1 141 THR 2.27 2.95 1 142 LEU -2.20 0.13 1 143 ALA 5.39 4.73 1 144 THR 6.51 5.21 1 145 TRP 5.11 5.11 1 146 LEU 0.57 2.69 1 147 ARG 5.55 4.69 1 148 ARG 3.90 3.19 1 149 ARG 0.45 -1.05 1 152 TRP 2.94 3.56 1 153 THR 3.49 2.32 1 154 ASP 1.51 3.89 1 155 VAL 2.89 0.92 1 156 LEU 2.31 0.93 1 157 LYS 0.69 0.46 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr30423_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.51 _LACS_plot.Line_1_terminator_val_y_1 3.48 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.63 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.91 _LACS_plot.Line_2_terminator_val_x_2 7.69 _LACS_plot.Line_2_terminator_val_y_2 -1.45 _LACS_plot.Y_axis_chem_shift_offset -0.38 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 100 THR -6.51 3.48 0 10 ALA 4.05 -0.56 1 11 GLN 4.04 -0.53 1 12 ALA 1.02 1.59 1 13 LYS 5.22 -0.54 1 14 ALA 4.04 -0.64 1 15 LEU 3.12 -0.44 1 17 ARG 6.05 -0.88 1 18 GLU 2.97 -0.24 1 19 TYR 2.24 1.38 1 20 VAL 7.03 -1.43 1 21 HIS 5.21 -0.02 1 22 ALA 3.07 0.20 1 23 ARG 3.44 -1.98 1 24 LEU 5.35 -1.26 1 25 LEU 3.67 -0.34 1 26 ARG 3.67 -0.29 1 27 ALA -0.76 0.60 1 29 LEU -3.46 1.86 1 30 SER -0.87 0.90 1 31 TRP -1.32 2.05 1 32 SER -1.63 0.84 1 33 ALA -0.62 0.66 1 35 GLU 0.37 0.23 1 36 ARG 1.18 -0.59 1 37 ALA -0.22 0.28 1 38 ALA -0.25 0.35 1 40 VAL 0.10 0.20 1 43 ARG 2.86 -0.94 1 44 LEU 3.01 -0.89 1 45 ALA 4.26 -1.03 1 46 GLU 2.73 0.08 1 47 VAL 6.03 -1.26 1 48 ALA 5.14 -1.52 1 49 ALA 3.75 -0.86 1 50 VAL 6.45 -1.34 1 51 LEU 4.17 -0.26 1 52 LEU 3.20 0.03 1 53 ARG 4.87 -0.82 1 54 LEU 3.01 -0.10 1 56 ASP 4.24 -0.72 1 57 GLU 3.38 -0.43 1 58 LEU 3.48 -0.24 1 59 GLU 2.34 0.20 1 60 MET 2.26 -0.11 1 61 ILE 1.72 0.32 1 62 ARG -0.63 0.88 1 64 SER 2.98 -0.34 1 65 VAL 3.32 -0.52 1 66 TYR 0.82 0.18 1 67 ARG -1.18 1.32 1 68 ASN 2.12 -0.70 1 69 VAL 5.24 -0.52 1 70 ALA 4.75 -1.18 1 71 ARG 3.39 -0.49 1 72 GLN 2.47 0.63 1 73 LEU 0.29 -0.23 1 74 HIS 3.75 -2.39 1 75 ILE -2.16 2.00 1 76 SER -0.83 0.51 1 77 LEU 1.05 -1.78 1 78 GLN 0.51 1.20 1 79 SER -3.16 0.88 1 80 GLU 3.87 0.12 1 81 ARG 3.52 -0.42 1 82 VAL 4.21 -0.57 1 83 VAL 5.45 -0.61 1 84 THR 7.08 -1.15 1 85 ASP 4.58 -0.97 1 86 ALA 2.92 -0.02 1 87 PHE 3.93 -0.28 1 88 LEU 3.68 -0.84 1 89 ALA 3.72 -0.83 1 90 VAL 5.48 -1.17 1 91 ALA 4.84 -1.85 1 93 HIS 4.02 -0.16 1 94 ILE 5.55 -0.74 1 95 PHE 2.36 -1.09 1 96 SER 3.74 -0.21 1 97 ALA -0.92 0.14 1 99 ILE 0.51 1.30 1 101 TRP 3.82 0.42 1 103 LYS 2.43 0.84 1 104 VAL 7.54 -1.14 1 105 VAL 7.53 -1.58 1 106 SER 0.64 -0.65 1 107 LEU 3.94 -0.06 1 108 TYR 7.69 -1.73 1 109 ALA 3.88 -0.42 1 110 VAL 6.15 -0.82 1 111 ALA 4.89 -1.48 1 112 ALA 2.67 -0.04 1 114 LEU 2.19 0.36 1 115 ALA 2.50 0.47 1 116 VAL 5.94 -1.12 1 117 ASP 4.08 0.10 1 118 ALA 4.59 -1.13 1 119 VAL 7.32 -1.72 1 120 ARG 5.01 -0.41 1 121 GLN 1.10 -0.97 1 122 ALA 3.15 -2.58 1 123 GLN -0.52 -0.01 1 125 ALA 3.35 -0.56 1 126 MET 2.16 -0.59 1 127 VAL 7.55 -1.79 1 128 HIS 4.59 -0.23 1 129 ALA 3.66 -0.94 1 130 LEU 3.09 0.04 1 131 VAL 7.04 -1.66 1 132 ASP 4.98 -0.97 1 133 ALA 3.65 -0.66 1 134 LEU 4.80 -0.20 1 136 GLU 2.52 -0.46 1 137 PHE 5.47 -0.22 1 138 VAL 6.98 -1.84 1 139 ARG 4.39 0.10 1 140 LYS 1.75 0.99 1 141 THR 2.27 0.68 1 142 LEU -2.20 2.33 1 143 ALA 5.39 -0.66 1 144 THR 6.51 -1.30 1 145 TRP 5.11 0.00 1 146 LEU 0.57 2.12 1 147 ARG 5.55 -0.86 1 148 ARG 3.90 -0.71 1 149 ARG 0.45 -1.50 1 152 TRP 2.94 0.62 1 153 THR 3.49 -1.17 1 154 ASP 1.51 2.38 1 155 VAL 2.89 -1.97 1 156 LEU 2.31 -1.38 1 157 LYS 0.69 -0.23 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr30423_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.51 _LACS_plot.Line_1_terminator_val_y_1 0.49 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.23 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.13 _LACS_plot.Line_2_terminator_val_x_2 7.69 _LACS_plot.Line_2_terminator_val_y_2 -0.73 _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 100 THR -6.51 0.25 0 146 LEU 0.57 -1.04 0 155 VAL 2.89 -1.25 0 79 SER -3.16 -0.70 0 10 ALA 4.05 -0.18 1 11 GLN 4.04 -0.46 1 12 ALA 1.02 -0.64 1 13 LYS 5.22 -0.44 1 14 ALA 4.04 -0.24 1 15 LEU 3.12 -0.55 1 17 ARG 6.05 -0.46 1 18 GLU 2.97 -0.24 1 19 TYR 2.24 -0.58 1 20 VAL 7.03 -0.66 1 21 HIS 5.21 -0.55 1 22 ALA 3.07 -0.37 1 23 ARG 3.44 -0.39 1 24 LEU 5.35 -0.41 1 25 LEU 3.67 -0.19 1 26 ARG 3.67 -0.30 1 27 ALA -0.76 0.10 1 29 LEU -3.46 0.32 1 30 SER -0.87 0.04 1 31 TRP -1.32 0.02 1 32 SER -1.63 0.23 1 33 ALA -0.62 -0.54 1 35 GLU 0.37 -0.18 1 36 ARG 1.18 -0.13 1 37 ALA -0.22 -0.08 1 38 ALA -0.25 -0.07 1 40 VAL 0.10 -0.12 1 43 ARG 2.86 0.02 1 44 LEU 3.01 -0.32 1 45 ALA 4.26 -0.38 1 46 GLU 2.73 -0.32 1 47 VAL 6.03 -0.82 1 48 ALA 5.14 -0.61 1 49 ALA 3.75 -0.31 1 50 VAL 6.45 -0.48 1 51 LEU 4.17 -0.38 1 52 LEU 3.20 -0.58 1 53 ARG 4.87 -0.24 1 54 LEU 3.01 -0.25 1 56 ASP 4.24 -0.28 1 57 GLU 3.38 -0.31 1 58 LEU 3.48 -0.27 1 59 GLU 2.34 -0.51 1 60 MET 2.26 -0.24 1 61 ILE 1.72 -0.07 1 62 ARG -0.63 0.17 1 64 SER 2.98 -0.35 1 65 VAL 3.32 -0.41 1 66 TYR 0.82 -0.18 1 67 ARG -1.18 0.06 1 68 ASN 2.12 -0.12 1 69 VAL 5.24 -0.68 1 70 ALA 4.75 -0.55 1 71 ARG 3.39 -0.34 1 72 GLN 2.47 -0.35 1 73 LEU 0.29 -0.15 1 74 HIS 3.75 -0.46 1 75 ILE -2.16 0.19 1 76 SER -0.83 -0.03 1 77 LEU 1.05 -0.02 1 78 GLN 0.51 -0.17 1 80 GLU 3.87 -0.46 1 81 ARG 3.52 -0.29 1 82 VAL 4.21 -0.32 1 83 VAL 5.45 -0.52 1 84 THR 7.08 -0.58 1 85 ASP 4.58 -0.21 1 86 ALA 2.92 -0.12 1 87 PHE 3.93 -0.71 1 88 LEU 3.68 -0.80 1 89 ALA 3.72 -0.21 1 90 VAL 5.48 -0.51 1 91 ALA 4.84 -0.91 1 93 HIS 4.02 -0.21 1 94 ILE 5.55 -0.72 1 95 PHE 2.36 -0.08 1 96 SER 3.74 -0.33 1 97 ALA -0.92 0.29 1 99 ILE 0.51 -0.40 1 101 TRP 3.82 0.12 1 103 LYS 2.43 -0.46 1 104 VAL 7.54 -0.20 1 105 VAL 7.53 -0.50 1 106 SER 0.64 -0.41 1 107 LEU 3.94 -0.44 1 108 TYR 7.69 -1.05 1 109 ALA 3.88 -0.18 1 110 VAL 6.15 -0.32 1 111 ALA 4.89 -0.74 1 112 ALA 2.67 -0.30 1 114 LEU 2.19 -0.14 1 115 ALA 2.50 -0.70 1 116 VAL 5.94 -0.78 1 117 ASP 4.08 -0.29 1 118 ALA 4.59 -0.53 1 119 VAL 7.32 -0.79 1 120 ARG 5.01 -0.34 1 121 GLN 1.10 0.04 1 122 ALA 3.15 -0.19 1 123 GLN -0.52 0.38 1 125 ALA 3.35 0.01 1 126 MET 2.16 -0.26 1 127 VAL 7.55 -0.97 1 128 HIS 4.59 -0.43 1 129 ALA 3.66 -0.18 1 130 LEU 3.09 -0.70 1 131 VAL 7.04 -0.80 1 132 ASP 4.98 -0.31 1 133 ALA 3.65 -0.05 1 134 LEU 4.80 -0.32 1 136 GLU 2.52 -0.04 1 137 PHE 5.47 -0.62 1 138 VAL 6.98 -0.79 1 139 ARG 4.39 -0.90 1 140 LYS 1.75 -0.31 1 141 THR 2.27 -0.20 1 142 LEU -2.20 0.05 1 143 ALA 5.39 -0.61 1 144 THR 6.51 -0.59 1 145 TRP 5.11 -0.81 1 147 ARG 5.55 -0.68 1 148 ARG 3.90 -0.38 1 149 ARG 0.45 -0.23 1 152 TRP 2.94 -0.28 1 153 THR 3.49 -0.53 1 154 ASP 1.51 -0.25 1 156 LEU 2.31 -0.38 1 157 LYS 0.69 -0.01 1 stop_ save_