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 bmr19106_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -3.17 _LACS_plot.Line_1_terminator_val_y_1 -1.41 _LACS_plot.Line_1_terminator_val_x_2 1.99 _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 -1.40 _LACS_plot.Line_2_terminator_val_x_2 8.66 _LACS_plot.Line_2_terminator_val_y_2 6.71 _LACS_plot.Y_axis_chem_shift_offset -0.09 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 56 GLN 1.70 -1.64 0 100 ALA 8.40 3.50 0 104 HIS 3.72 6.17 0 133 ASP -2.99 1.03 0 110 LYS 5.79 0.96 0 10 SER -2.42 -0.65 1 11 LEU 8.67 6.55 1 13 SER 4.98 3.97 1 14 ALA 4.43 2.69 1 15 PHE 5.14 4.31 1 16 ASP 3.99 3.15 1 17 ILE 5.67 4.34 1 18 LEU 2.77 2.40 1 20 ALA -0.03 -0.26 1 21 ALA 1.51 1.50 1 23 GLN 4.64 4.33 1 24 ASP 4.94 3.63 1 25 LYS 3.48 1.29 1 26 LEU 4.42 3.26 1 27 LEU 3.90 3.15 1 28 TYR 4.19 2.83 1 29 LEU 2.82 2.51 1 30 LYS 4.65 3.68 1 31 HIS 2.39 3.52 1 32 LYS 2.13 2.80 1 33 LEU 1.09 0.15 1 34 LYS 1.31 0.36 1 35 THR 0.00 -0.03 1 37 ARG -2.64 -0.72 1 41 GLN 2.77 2.05 1 43 GLN 4.53 3.86 1 44 ASP 3.94 2.18 1 45 LEU 3.47 2.32 1 46 LEU 4.11 2.30 1 47 HIS 5.77 6.41 1 48 ALA 4.98 3.27 1 49 MET 3.79 4.71 1 50 VAL 6.77 5.08 1 51 LEU 4.49 3.24 1 52 LEU 4.48 3.21 1 53 LYS 1.94 -0.02 1 54 LEU -0.96 0.27 1 57 GLU 3.98 4.15 1 58 THR 6.87 5.23 1 59 GLU 4.05 3.47 1 60 ALA 3.22 2.97 1 61 ARG 5.66 4.82 1 62 ILE 4.62 4.12 1 63 SER 5.35 4.32 1 64 LEU 3.99 2.83 1 65 GLU 3.75 2.71 1 66 ALA 2.73 1.53 1 67 LEU -1.48 -1.17 1 68 LYS 3.66 2.96 1 69 ALA 1.80 1.11 1 70 ASP -2.95 -1.08 1 71 ALA 2.85 2.98 1 72 VAL 6.94 4.36 1 73 ALA 3.07 3.06 1 74 ARG 4.57 4.41 1 75 LEU 4.13 3.43 1 76 VAL 6.00 4.39 1 77 ALA 3.23 2.18 1 78 ARG 2.52 2.52 1 79 GLN 3.39 2.42 1 80 TRP 0.50 1.88 1 81 ALA -3.17 -1.46 1 83 VAL 1.06 0.19 1 84 ASP -0.03 0.07 1 85 SER -0.96 -0.49 1 86 THR 0.72 0.32 1 87 GLU -0.93 -0.32 1 88 ASP 0.43 0.50 1 90 GLU -2.05 -0.85 1 91 GLU -0.41 0.19 1 94 ASP 0.63 -0.19 1 95 VAL 3.91 3.06 1 96 SER 6.04 4.18 1 97 TRP 0.62 1.01 1 98 ALA 3.86 3.41 1 99 VAL 6.37 5.14 1 101 ARG 4.97 4.28 1 102 LEU 3.82 3.24 1 103 TYR 6.34 5.61 1 105 LEU 3.16 2.78 1 106 LEU 3.38 3.01 1 107 ALA 4.06 2.47 1 108 GLU 2.91 2.80 1 109 GLU -0.58 -1.50 1 111 LEU -0.01 0.00 1 114 ALA 3.99 2.80 1 115 SER 4.51 2.59 1 116 LEU 2.29 2.27 1 117 ARG 6.66 3.71 1 118 ASP 5.19 3.95 1 119 VAL 4.79 3.99 1 120 ALA 4.11 3.09 1 121 TYR 7.74 7.25 1 122 GLN 5.36 4.31 1 123 GLU 2.71 1.92 1 124 ALA 4.62 2.44 1 125 VAL 6.36 4.93 1 126 ARG 4.91 4.05 1 127 THR 6.76 5.47 1 128 LEU 7.41 6.40 1 129 SER 4.51 3.45 1 130 SER 3.70 3.09 1 131 ARG -1.28 -1.47 1 132 ASP 2.62 0.90 1 134 HIS 3.25 3.29 1 135 ARG 1.34 -0.29 1 136 LEU 3.97 3.60 1 138 GLU 2.65 2.46 1 139 LEU 5.95 2.74 1 140 GLN 5.29 4.32 1 141 ASP 3.71 3.33 1 142 GLU 1.92 3.07 1 143 ALA 2.44 2.05 1 144 ARG 4.25 3.29 1 145 ASN 2.75 3.07 1 146 ARG 1.37 1.55 1 149 TRP -1.98 -1.86 1 150 ASP 0.58 -0.04 1 151 ILE 0.73 0.25 1 152 ALA -0.44 -0.10 1 154 ASP -0.60 -0.09 1 157 SER -0.02 0.15 1 158 ILE 0.58 0.28 1 159 ARG 0.56 1.30 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19106_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -3.17 _LACS_plot.Line_1_terminator_val_y_1 1.76 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -1.01 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.60 _LACS_plot.Line_2_terminator_val_x_2 8.66 _LACS_plot.Line_2_terminator_val_y_2 -1.95 _LACS_plot.Y_axis_chem_shift_offset -0.09 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 56 GLN 1.70 -3.34 0 100 ALA 8.40 -4.90 0 104 HIS 3.72 2.45 0 133 ASP -2.99 4.02 0 110 LYS 5.79 -4.83 0 10 SER -2.42 1.77 1 11 LEU 8.67 -2.12 1 13 SER 4.98 -1.01 1 14 ALA 4.43 -1.74 1 15 PHE 5.14 -0.83 1 16 ASP 3.99 -0.84 1 17 ILE 5.67 -1.33 1 18 LEU 2.77 -0.37 1 20 ALA -0.03 -0.23 1 21 ALA 1.51 -0.01 1 23 GLN 4.64 -0.31 1 24 ASP 4.94 -1.31 1 25 LYS 3.48 -2.19 1 26 LEU 4.42 -1.16 1 27 LEU 3.90 -0.75 1 28 TYR 4.19 -1.36 1 29 LEU 2.82 -0.31 1 30 LYS 4.65 -0.97 1 31 HIS 2.39 1.13 1 32 LYS 2.13 0.67 1 33 LEU 1.09 -0.94 1 34 LYS 1.31 -0.95 1 35 THR 0.00 -0.03 1 37 ARG -2.64 1.92 1 41 GLN 2.77 -0.72 1 43 GLN 4.53 -0.67 1 44 ASP 3.94 -1.76 1 45 LEU 3.47 -1.15 1 46 LEU 4.11 -1.81 1 47 HIS 5.77 0.64 1 48 ALA 4.98 -1.71 1 49 MET 3.79 0.92 1 50 VAL 6.77 -1.69 1 51 LEU 4.49 -1.25 1 52 LEU 4.48 -1.27 1 53 LYS 1.94 -1.96 1 54 LEU -0.96 1.23 1 57 GLU 3.98 0.17 1 58 THR 6.87 -1.64 1 59 GLU 4.05 -0.58 1 60 ALA 3.22 -0.25 1 61 ARG 5.66 -0.84 1 62 ILE 4.62 -0.50 1 63 SER 5.35 -1.03 1 64 LEU 3.99 -1.16 1 65 GLU 3.75 -1.04 1 66 ALA 2.73 -1.20 1 67 LEU -1.48 0.31 1 68 LYS 3.66 -0.70 1 69 ALA 1.80 -0.69 1 70 ASP -2.95 1.87 1 71 ALA 2.85 0.13 1 72 VAL 6.94 -2.58 1 73 ALA 3.07 -0.01 1 74 ARG 4.57 -0.16 1 75 LEU 4.13 -0.70 1 76 VAL 6.00 -1.61 1 77 ALA 3.23 -1.05 1 78 ARG 2.52 0.00 1 79 GLN 3.39 -0.97 1 80 TRP 0.50 1.38 1 81 ALA -3.17 1.71 1 83 VAL 1.06 -0.87 1 84 ASP -0.03 0.10 1 85 SER -0.96 0.47 1 86 THR 0.72 -0.40 1 87 GLU -0.93 0.61 1 88 ASP 0.43 0.07 1 90 GLU -2.05 1.20 1 91 GLU -0.41 0.60 1 94 ASP 0.63 -0.82 1 95 VAL 3.91 -0.85 1 96 SER 6.04 -1.86 1 97 TRP 0.62 0.39 1 98 ALA 3.86 -0.45 1 99 VAL 6.37 -1.23 1 101 ARG 4.97 -0.69 1 102 LEU 3.82 -0.58 1 103 TYR 6.34 -0.73 1 105 LEU 3.16 -0.38 1 106 LEU 3.38 -0.37 1 107 ALA 4.06 -1.59 1 108 GLU 2.91 -0.11 1 109 GLU -0.58 -0.92 1 111 LEU -0.01 0.01 1 114 ALA 3.99 -1.19 1 115 SER 4.51 -1.92 1 116 LEU 2.29 -0.02 1 117 ARG 6.66 -2.95 1 118 ASP 5.19 -1.24 1 119 VAL 4.79 -0.80 1 120 ALA 4.11 -1.02 1 121 TYR 7.74 -0.49 1 122 GLN 5.36 -1.05 1 123 GLU 2.71 -0.79 1 124 ALA 4.62 -2.18 1 125 VAL 6.36 -1.43 1 126 ARG 4.91 -0.86 1 127 THR 6.76 -1.29 1 128 LEU 7.41 -1.01 1 129 SER 4.51 -1.06 1 130 SER 3.70 -0.61 1 131 ARG -1.28 -0.19 1 132 ASP 2.62 -1.72 1 134 HIS 3.25 0.04 1 135 ARG 1.34 -1.63 1 136 LEU 3.97 -0.37 1 138 GLU 2.65 -0.19 1 139 LEU 5.95 -3.21 1 140 GLN 5.29 -0.97 1 141 ASP 3.71 -0.38 1 142 GLU 1.92 1.15 1 143 ALA 2.44 -0.39 1 144 ARG 4.25 -0.96 1 145 ASN 2.75 0.32 1 146 ARG 1.37 0.18 1 149 TRP -1.98 0.12 1 150 ASP 0.58 -0.62 1 151 ILE 0.73 -0.48 1 152 ALA -0.44 0.34 1 154 ASP -0.60 0.51 1 157 SER -0.02 0.17 1 158 ILE 0.58 -0.30 1 159 ARG 0.56 0.74 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19106_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -3.17 _LACS_plot.Line_1_terminator_val_y_1 0.16 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -0.21 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.07 _LACS_plot.Line_2_terminator_val_x_2 8.66 _LACS_plot.Line_2_terminator_val_y_2 -0.67 _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 143 ALA 2.44 -1.80 0 10 SER -2.42 0.14 1 11 LEU 8.67 -0.38 1 13 SER 4.98 -0.11 1 14 ALA 4.43 -0.57 1 15 PHE 5.14 -0.68 1 16 ASP 3.99 -0.24 1 17 ILE 5.67 -0.53 1 18 LEU 2.77 -0.49 1 20 ALA -0.03 0.06 1 21 ALA 1.51 -0.20 1 23 GLN 4.64 -0.53 1 24 ASP 4.94 -0.29 1 25 LYS 3.48 -0.01 1 26 LEU 4.42 -0.34 1 27 LEU 3.90 -0.41 1 28 TYR 4.19 -0.13 1 29 LEU 2.82 -0.62 1 30 LYS 4.65 -0.67 1 31 HIS 2.39 -0.33 1 32 LYS 2.13 -0.49 1 33 LEU 1.09 -0.19 1 34 LYS 1.31 -0.68 1 35 THR 0.00 -0.12 1 37 ARG -2.64 0.09 1 41 GLN 2.77 -0.04 1 43 GLN 4.53 -0.53 1 44 ASP 3.94 -0.22 1 45 LEU 3.47 -0.40 1 46 LEU 4.11 -0.23 1 47 HIS 5.77 -1.03 1 48 ALA 4.98 -0.49 1 49 MET 3.79 -0.71 1 50 VAL 6.77 -0.88 1 51 LEU 4.49 -0.59 1 52 LEU 4.48 -0.52 1 53 LYS 1.94 -0.15 1 54 LEU -0.96 -0.03 1 56 GLN 1.70 0.27 1 57 GLU 3.98 -0.62 1 58 THR 6.87 -0.48 1 59 GLU 4.05 -0.41 1 60 ALA 3.22 -0.42 1 61 ARG 5.66 -0.50 1 62 ILE 4.62 -0.41 1 63 SER 5.35 -0.22 1 64 LEU 3.99 -0.41 1 65 GLU 3.75 -0.27 1 66 ALA 2.73 -0.06 1 67 LEU -1.48 0.16 1 68 LYS 3.66 -0.30 1 69 ALA 1.80 -0.12 1 70 ASP -2.95 0.06 1 71 ALA 2.85 -0.45 1 72 VAL 6.94 -0.54 1 73 ALA 3.07 -0.50 1 74 ARG 4.57 -0.37 1 75 LEU 4.13 -0.22 1 76 VAL 6.00 -0.36 1 77 ALA 3.23 -0.30 1 78 ARG 2.52 0.05 1 79 GLN 3.39 -0.40 1 80 TRP 0.50 0.20 1 81 ALA -3.17 0.49 1 83 VAL 1.06 -0.18 1 84 ASP -0.03 -0.04 1 85 SER -0.96 0.06 1 86 THR 0.72 -0.04 1 87 GLU -0.93 -0.13 1 88 ASP 0.43 -0.10 1 90 GLU -2.05 -0.03 1 91 GLU -0.41 -0.11 1 94 ASP 0.63 0.41 1 95 VAL 3.91 -0.12 1 96 SER 6.04 -0.48 1 97 TRP 0.62 -0.25 1 98 ALA 3.86 -0.33 1 99 VAL 6.37 -0.70 1 100 ALA 8.40 -0.59 1 101 ARG 4.97 -0.27 1 102 LEU 3.82 -0.31 1 103 TYR 6.34 -0.68 1 104 HIS 3.72 -0.21 1 105 LEU 3.16 -0.53 1 106 LEU 3.38 -0.60 1 107 ALA 4.06 0.12 1 108 GLU 2.91 -0.35 1 109 GLU -0.58 0.06 1 110 LYS 5.79 -0.26 1 111 LEU -0.01 0.03 1 114 ALA 3.99 -0.35 1 115 SER 4.51 -0.21 1 116 LEU 2.29 -0.14 1 117 ARG 6.66 -0.26 1 118 ASP 5.19 0.19 1 119 VAL 4.79 -0.31 1 120 ALA 4.11 -0.50 1 121 TYR 7.74 -0.56 1 122 GLN 5.36 -0.36 1 123 GLU 2.71 -0.11 1 124 ALA 4.62 -0.05 1 125 VAL 6.36 -0.85 1 126 ARG 4.91 -0.39 1 127 THR 6.76 -0.51 1 128 LEU 7.41 -0.38 1 129 SER 4.51 -0.19 1 130 SER 3.70 -0.15 1 131 ARG -1.28 0.43 1 132 ASP 2.62 -0.30 1 133 ASP -2.99 -0.15 1 134 HIS 3.25 -0.11 1 135 ARG 1.34 0.28 1 136 LEU 3.97 -0.67 1 138 GLU 2.65 -0.19 1 139 LEU 5.95 -0.65 1 140 GLN 5.29 -0.67 1 141 ASP 3.71 -0.32 1 142 GLU 1.92 -0.39 1 144 ARG 4.25 -0.60 1 145 ASN 2.75 -0.40 1 146 ARG 1.37 -0.34 1 149 TRP -1.98 0.06 1 150 ASP 0.58 -0.12 1 151 ILE 0.73 -0.49 1 152 ALA -0.44 -0.05 1 154 ASP -0.60 -0.14 1 157 SER -0.02 -0.05 1 158 ILE 0.58 -0.01 1 159 ARG 0.56 -0.17 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19106_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -3.17 _LACS_plot.Line_1_terminator_val_y_1 -1.37 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 0.89 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.52 _LACS_plot.Line_2_terminator_val_x_2 8.40 _LACS_plot.Line_2_terminator_val_y_2 3.10 _LACS_plot.Y_axis_chem_shift_offset -0.09 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 133 ASP -2.99 2.67 0 10 SER -2.42 -1.29 1 13 SER 4.98 1.65 1 14 ALA 4.43 1.38 1 15 PHE 5.14 2.59 1 16 ASP 3.99 3.32 1 17 ILE 5.67 2.72 1 18 LEU 2.77 1.00 1 20 ALA -0.03 0.25 1 21 ALA 1.51 0.63 1 23 GLN 4.64 1.25 1 24 ASP 4.94 3.09 1 25 LYS 3.48 2.26 1 26 LEU 4.42 1.19 1 27 LEU 3.90 2.00 1 28 TYR 4.19 2.30 1 29 LEU 2.82 0.36 1 30 LYS 4.65 0.22 1 31 HIS 2.39 3.65 1 32 LYS 2.13 2.39 1 33 LEU 1.09 -1.75 1 34 LYS 1.31 -0.18 1 41 GLN 2.77 0.28 1 43 GLN 4.53 0.37 1 44 ASP 3.94 2.70 1 45 LEU 3.47 0.33 1 46 LEU 4.11 0.48 1 47 HIS 5.77 1.79 1 48 ALA 4.98 1.31 1 49 MET 3.79 1.43 1 50 VAL 6.77 1.08 1 51 LEU 4.49 1.94 1 52 LEU 4.48 3.84 1 53 LYS 1.94 1.71 1 54 LEU -0.96 -0.39 1 56 GLN 1.70 -0.11 1 57 GLU 3.98 1.64 1 58 THR 6.87 1.94 1 59 GLU 4.05 2.98 1 60 ALA 3.22 1.59 1 61 ARG 5.66 3.00 1 62 ILE 4.62 2.99 1 63 SER 5.35 2.58 1 64 LEU 3.99 2.42 1 65 GLU 3.75 2.59 1 66 ALA 2.73 1.13 1 67 LEU -1.48 -0.13 1 68 LYS 3.66 -0.86 1 69 ALA 1.80 -0.48 1 70 ASP -2.95 -0.09 1 71 ALA 2.85 2.72 1 72 VAL 6.94 1.10 1 73 ALA 3.07 2.63 1 74 ARG 4.57 2.55 1 75 LEU 4.13 0.69 1 76 VAL 6.00 1.69 1 77 ALA 3.23 1.58 1 78 ARG 2.52 2.20 1 79 GLN 3.39 1.93 1 80 TRP 0.50 -0.12 1 81 ALA -3.17 -0.74 1 83 VAL 1.06 -1.01 1 84 ASP -0.03 -0.40 1 85 SER -0.96 0.15 1 86 THR 0.72 -0.17 1 87 GLU -0.93 -0.90 1 90 GLU -2.05 -0.66 1 94 ASP 0.63 1.33 1 95 VAL 3.91 -0.37 1 96 SER 6.04 2.75 1 97 TRP 0.62 1.74 1 98 ALA 3.86 2.38 1 99 VAL 6.37 0.94 1 100 ALA 8.40 0.48 1 101 ARG 4.97 3.84 1 102 LEU 3.82 1.35 1 103 TYR 6.34 2.71 1 104 HIS 3.72 2.46 1 105 LEU 3.16 1.83 1 106 LEU 3.38 1.17 1 107 ALA 4.06 5.17 1 108 GLU 2.91 2.00 1 109 GLU -0.58 -1.81 1 110 LYS 5.79 -0.25 1 111 LEU -0.01 -1.98 1 114 ALA 3.99 1.40 1 115 SER 4.51 2.16 1 116 LEU 2.29 1.72 1 117 ARG 6.66 1.46 1 118 ASP 5.19 2.33 1 119 VAL 4.79 1.93 1 120 ALA 4.11 4.04 1 121 TYR 7.74 2.47 1 122 GLN 5.36 3.26 1 123 GLU 2.71 2.76 1 124 ALA 4.62 0.67 1 125 VAL 6.36 2.19 1 126 ARG 4.91 2.95 1 127 THR 6.76 2.31 1 128 LEU 7.41 2.10 1 129 SER 4.51 3.69 1 130 SER 3.70 -0.13 1 131 ARG -1.28 -1.38 1 132 ASP 2.62 -1.25 1 134 HIS 3.25 2.16 1 135 ARG 1.34 -0.61 1 136 LEU 3.97 -0.33 1 138 GLU 2.65 2.99 1 139 LEU 5.95 0.15 1 140 GLN 5.29 2.73 1 141 ASP 3.71 1.45 1 142 GLU 1.92 1.02 1 143 ALA 2.44 1.23 1 144 ARG 4.25 2.75 1 145 ASN 2.75 2.02 1 146 ARG 1.37 1.47 1 149 TRP -1.98 -0.88 1 150 ASP 0.58 -0.35 1 151 ILE 0.73 -0.56 1 152 ALA -0.44 -0.14 1 157 SER -0.02 -0.38 1 158 ILE 0.58 -1.13 1 stop_ save_