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 bmr27447_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.87 _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 0.54 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.36 _LACS_plot.Line_2_terminator_val_x_2 7.39 _LACS_plot.Line_2_terminator_val_y_2 5.62 _LACS_plot.Y_axis_chem_shift_offset -0.00 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 81 LEU -7.87 -2.43 0 10 ALA 3.65 2.78 1 11 PHE 3.59 3.33 1 12 LEU 4.77 3.02 1 13 ASN 4.08 3.11 1 14 GLU 3.85 2.49 1 15 VAL 6.56 4.77 1 16 ILE 4.84 2.87 1 17 LEU 4.14 3.10 1 18 GLN 3.38 1.59 1 19 ALA -0.06 0.07 1 20 GLU 3.46 2.44 1 21 ASN 2.23 2.04 1 22 GLN -0.88 0.50 1 23 HIS 2.65 2.03 1 24 GLU -2.88 -2.39 1 25 ILE -0.14 -1.53 1 26 LEU -3.18 -2.15 1 27 ILE 0.46 -1.24 1 29 HIS -0.13 0.49 1 31 THR 0.41 -0.31 1 32 SER 2.22 1.74 1 33 GLU 1.86 1.12 1 34 VAL -0.46 -0.59 1 35 ALA 1.93 0.08 1 36 LEU -2.94 -1.36 1 37 THR -1.68 -0.45 1 38 ASN 4.49 5.71 1 39 THR 6.43 5.43 1 40 GLN 4.73 4.52 1 41 GLU 4.48 4.56 1 42 HIS 3.64 5.40 1 43 ILE 7.40 5.98 1 44 LEU 5.25 2.95 1 45 MET 4.60 4.52 1 46 LEU 4.49 3.34 1 47 LEU 1.64 0.93 1 48 SER 2.55 2.48 1 49 GLU -0.71 0.75 1 50 GLU -4.68 -1.00 1 51 SER 0.76 -0.44 1 52 LEU -4.91 -1.23 1 53 THR -4.29 -1.37 1 54 ASN 5.70 4.48 1 55 SER 3.70 3.31 1 56 GLU 2.21 2.28 1 57 LEU 3.67 3.58 1 58 ALA 5.48 3.41 1 59 ARG 4.07 3.14 1 60 ARG 3.37 2.21 1 61 LEU -0.93 0.29 1 62 ASN 2.71 1.75 1 63 VAL -5.22 -3.17 1 64 SER -1.43 -0.46 1 65 GLN 5.62 4.38 1 66 ALA 4.19 2.87 1 67 ALA 4.18 2.73 1 68 VAL 6.66 4.89 1 69 THR 5.71 5.53 1 70 LYS 4.69 3.84 1 71 ALA 3.82 2.79 1 72 ILE 5.71 3.43 1 73 LYS 5.70 4.31 1 74 SER 4.83 3.55 1 75 LEU 3.57 3.05 1 76 VAL 5.42 4.23 1 77 LYS 4.80 3.46 1 78 GLU -0.21 -0.69 1 80 MET -0.87 0.34 1 82 GLU -5.10 -2.26 1 83 THR -0.79 -0.42 1 84 SER -1.13 -0.49 1 85 LYS 0.17 0.11 1 86 ASP -0.23 0.72 1 87 SER 1.63 1.43 1 88 LYS 1.02 1.31 1 89 ASP -0.61 -0.19 1 90 ALA 1.57 1.15 1 91 ARG 1.86 1.24 1 92 VAL 0.77 0.22 1 93 ILE -1.33 -1.02 1 94 PHE -2.76 -1.38 1 95 TYR -2.83 0.06 1 96 GLN -5.09 -2.04 1 97 LEU 2.51 2.15 1 98 THR -2.95 -1.74 1 99 ASP 4.73 3.80 1 100 LEU 2.11 2.05 1 101 ALA -3.56 0.48 1 102 ARG 4.56 3.31 1 104 ILE 4.36 3.60 1 105 ALA 3.32 2.64 1 106 GLU 6.85 4.37 1 107 GLU 6.07 5.67 1 108 HIS 5.98 5.36 1 109 HIS 4.65 3.73 1 110 HIS -0.13 2.83 1 111 HIS 7.29 6.53 1 112 HIS 4.17 3.62 1 113 GLU 3.97 4.03 1 114 HIS 6.68 6.23 1 115 THR 4.83 3.54 1 116 LEU 4.14 2.85 1 117 LEU 3.52 5.74 1 118 THR 3.45 0.38 1 119 TYR 4.45 3.44 1 120 GLU 5.05 3.45 1 121 GLN 5.97 4.45 1 122 VAL 4.23 3.61 1 123 ALA 1.99 2.58 1 124 THR 2.91 1.11 1 125 GLN -1.02 -0.27 1 126 PHE 2.42 1.48 1 127 THR 4.26 3.58 1 129 ASN 2.59 3.01 1 130 GLU 5.92 4.25 1 131 GLN 4.63 3.39 1 132 LYS 6.16 4.67 1 133 VAL 6.64 4.29 1 134 ILE 4.53 4.61 1 135 GLN 4.39 3.97 1 136 ARG 5.92 3.80 1 137 PHE 5.37 3.03 1 138 LEU 5.54 4.83 1 139 THR 3.30 2.42 1 140 ALA 4.07 2.87 1 141 LEU 6.12 4.19 1 142 VAL -0.07 -0.56 1 144 GLU 2.37 1.73 1 145 ILE 1.64 1.53 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27447_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.87 _LACS_plot.Line_1_terminator_val_y_1 5.17 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.46 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.64 _LACS_plot.Line_2_terminator_val_x_2 7.39 _LACS_plot.Line_2_terminator_val_y_2 -1.77 _LACS_plot.Y_axis_chem_shift_offset -0.00 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 81 LEU -7.87 5.44 0 10 ALA 3.65 -0.87 1 11 PHE 3.59 -0.26 1 12 LEU 4.77 -1.75 1 13 ASN 4.08 -0.97 1 14 GLU 3.85 -1.36 1 15 VAL 6.56 -1.79 1 16 ILE 4.84 -1.97 1 17 LEU 4.14 -1.04 1 18 GLN 3.38 -1.79 1 19 ALA -0.06 0.13 1 20 GLU 3.46 -1.02 1 21 ASN 2.23 -0.19 1 22 GLN -0.88 1.38 1 23 HIS 2.65 -0.62 1 24 GLU -2.88 0.49 1 25 ILE -0.14 -1.39 1 26 LEU -3.18 1.03 1 27 ILE 0.46 -1.70 1 29 HIS -0.13 0.62 1 31 THR 0.41 -0.72 1 32 SER 2.22 -0.48 1 33 GLU 1.86 -0.74 1 34 VAL -0.46 -0.13 1 35 ALA 1.93 -1.85 1 36 LEU -2.94 1.58 1 37 THR -1.68 1.23 1 38 ASN 4.49 1.22 1 39 THR 6.43 -1.00 1 40 GLN 4.73 -0.21 1 41 GLU 4.48 0.08 1 42 HIS 3.64 1.76 1 43 ILE 7.40 -1.42 1 44 LEU 5.25 -2.30 1 45 MET 4.60 -0.08 1 46 LEU 4.49 -1.15 1 47 LEU 1.64 -0.71 1 48 SER 2.55 -0.07 1 49 GLU -0.71 1.46 1 50 GLU -4.68 3.68 1 51 SER 0.76 -1.20 1 52 LEU -4.91 3.68 1 53 THR -4.29 2.92 1 54 ASN 5.70 -1.22 1 55 SER 3.70 -0.39 1 56 GLU 2.21 0.07 1 57 LEU 3.67 -0.09 1 58 ALA 5.48 -2.07 1 59 ARG 4.07 -0.93 1 60 ARG 3.37 -1.16 1 61 LEU -0.93 1.22 1 62 ASN 2.71 -0.96 1 63 VAL -5.22 2.05 1 64 SER -1.43 0.97 1 65 GLN 5.62 -1.24 1 66 ALA 4.19 -1.32 1 67 ALA 4.18 -1.45 1 68 VAL 6.66 -1.77 1 69 THR 5.71 -0.18 1 70 LYS 4.69 -0.85 1 71 ALA 3.82 -1.03 1 72 ILE 5.71 -2.28 1 73 LYS 5.70 -1.39 1 74 SER 4.83 -1.28 1 75 LEU 3.57 -0.52 1 76 VAL 5.42 -1.19 1 77 LYS 4.80 -1.34 1 78 GLU -0.21 -0.48 1 80 MET -0.87 1.21 1 82 GLU -5.10 2.84 1 83 THR -0.79 0.37 1 84 SER -1.13 0.64 1 85 LYS 0.17 -0.06 1 86 ASP -0.23 0.95 1 87 SER 1.63 -0.20 1 88 LYS 1.02 0.29 1 89 ASP -0.61 0.42 1 90 ALA 1.57 -0.42 1 91 ARG 1.86 -0.62 1 92 VAL 0.77 -0.55 1 93 ILE -1.33 0.31 1 94 PHE -2.76 1.38 1 95 TYR -2.83 2.89 1 96 GLN -5.09 3.05 1 97 LEU 2.51 -0.36 1 98 THR -2.95 1.21 1 99 ASP 4.73 -0.93 1 100 LEU 2.11 -0.06 1 101 ALA -3.56 4.04 1 102 ARG 4.56 -1.25 1 104 ILE 4.36 -0.76 1 105 ALA 3.32 -0.68 1 106 GLU 6.85 -2.48 1 107 GLU 6.07 -0.40 1 108 HIS 5.98 -0.62 1 109 HIS 4.65 -0.92 1 110 HIS -0.13 2.96 1 111 HIS 7.29 -0.76 1 112 HIS 4.17 -0.55 1 113 GLU 3.97 0.06 1 114 HIS 6.68 -0.45 1 115 THR 4.83 -1.29 1 116 LEU 4.14 -1.29 1 117 LEU 3.52 2.22 1 118 THR 3.45 -3.07 1 119 TYR 4.45 -1.01 1 120 GLU 5.05 -1.60 1 121 GLN 5.97 -1.52 1 122 VAL 4.23 -0.62 1 123 ALA 1.99 0.59 1 124 THR 2.91 -1.80 1 125 GLN -1.02 0.75 1 126 PHE 2.42 -0.94 1 127 THR 4.26 -0.68 1 129 ASN 2.59 0.42 1 130 GLU 5.92 -1.67 1 131 GLN 4.63 -1.24 1 132 LYS 6.16 -1.49 1 133 VAL 6.64 -2.35 1 134 ILE 4.53 0.08 1 135 GLN 4.39 -0.42 1 136 ARG 5.92 -2.12 1 137 PHE 5.37 -2.34 1 138 LEU 5.54 -0.71 1 139 THR 3.30 -0.88 1 140 ALA 4.07 -1.20 1 141 LEU 6.12 -1.93 1 142 VAL -0.07 -0.49 1 144 GLU 2.37 -0.64 1 145 ILE 1.64 -0.11 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27447_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.87 _LACS_plot.Line_1_terminator_val_y_1 -2.96 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.90 _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 7.39 _LACS_plot.Line_2_terminator_val_y_2 2.71 _LACS_plot.Y_axis_chem_shift_offset -0.11 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 110 HIS -0.13 7.35 0 10 ALA 3.65 2.31 1 11 PHE 3.59 0.29 1 12 LEU 4.77 0.83 1 13 ASN 4.08 2.39 1 14 GLU 3.85 1.99 1 15 VAL 6.56 0.72 1 16 ILE 4.84 2.34 1 17 LEU 4.14 2.57 1 18 GLN 3.38 1.38 1 19 ALA -0.06 -0.19 1 20 GLU 3.46 0.46 1 21 ASN 2.23 -0.17 1 22 GLN -0.88 0.20 1 23 HIS 2.65 -2.06 1 24 GLU -2.88 -3.40 1 25 ILE -0.14 -2.07 1 26 LEU -3.18 -2.05 1 27 ILE 0.46 1.30 1 29 HIS -0.13 0.68 1 31 THR 0.41 0.56 1 32 SER 2.22 0.87 1 33 GLU 1.86 -0.40 1 34 VAL -0.46 -1.15 1 35 ALA 1.93 -1.69 1 36 LEU -2.94 0.16 1 37 THR -1.68 0.85 1 38 ASN 4.49 2.13 1 39 THR 6.43 1.31 1 40 GLN 4.73 1.86 1 41 GLU 4.48 1.09 1 42 HIS 3.64 3.40 1 43 ILE 7.40 0.44 1 44 LEU 5.25 0.74 1 45 MET 4.60 3.21 1 46 LEU 4.49 2.18 1 47 LEU 1.64 0.86 1 48 SER 2.55 0.40 1 49 GLU -0.71 -0.40 1 50 GLU -4.68 -2.98 1 51 SER 0.76 -0.31 1 52 LEU -4.91 -1.08 1 53 THR -4.29 1.01 1 54 ASN 5.70 2.47 1 55 SER 3.70 2.44 1 56 GLU 2.21 2.71 1 57 LEU 3.67 0.30 1 58 ALA 5.48 1.61 1 59 ARG 4.07 3.32 1 60 ARG 3.37 1.97 1 61 LEU -0.93 -1.43 1 62 ASN 2.71 -0.89 1 63 VAL -5.22 -1.71 1 64 SER -1.43 0.79 1 65 GLN 5.62 2.94 1 66 ALA 4.19 2.29 1 67 ALA 4.18 3.81 1 68 VAL 6.66 0.70 1 69 THR 5.71 1.58 1 70 LYS 4.69 2.19 1 71 ALA 3.82 2.53 1 72 ILE 5.71 1.11 1 73 LYS 5.70 3.55 1 74 SER 4.83 1.06 1 75 LEU 3.57 1.95 1 76 VAL 5.42 4.22 1 77 LYS 4.80 1.83 1 78 GLU -0.21 -0.39 1 80 MET -0.87 -1.99 1 81 LEU -7.87 -2.27 1 82 GLU -5.10 -1.29 1 83 THR -0.79 -0.12 1 84 SER -1.13 -0.52 1 85 LYS 0.17 -0.01 1 86 ASP -0.23 0.08 1 87 SER 1.63 0.39 1 88 LYS 1.02 -0.07 1 89 ASP -0.61 -0.91 1 90 ALA 1.57 -0.24 1 91 ARG 1.86 0.42 1 92 VAL 0.77 -2.42 1 93 ILE -1.33 -1.71 1 94 PHE -2.76 -1.48 1 95 TYR -2.83 -1.01 1 96 GLN -5.09 -1.34 1 97 LEU 2.51 0.72 1 98 THR -2.95 1.40 1 99 ASP 4.73 2.82 1 100 LEU 2.11 -0.52 1 101 ALA -3.56 2.11 1 102 ARG 4.56 0.94 1 104 ILE 4.36 1.90 1 105 ALA 3.32 1.92 1 106 GLU 6.85 2.59 1 107 GLU 6.07 3.81 1 108 HIS 5.98 4.01 1 109 HIS 4.65 2.61 1 111 HIS 7.29 3.76 1 112 HIS 4.17 2.08 1 113 GLU 3.97 3.40 1 114 HIS 6.68 -0.95 1 115 THR 4.83 1.71 1 116 LEU 4.14 2.42 1 117 LEU 3.52 1.73 1 118 THR 3.45 2.63 1 119 TYR 4.45 1.66 1 120 GLU 5.05 3.41 1 121 GLN 5.97 1.67 1 122 VAL 4.23 0.83 1 123 ALA 1.99 0.58 1 124 THR 2.91 -1.62 1 125 GLN -1.02 0.12 1 126 PHE 2.42 5.66 1 127 THR 4.26 3.47 1 129 ASN 2.59 2.49 1 130 GLU 5.92 1.89 1 131 GLN 4.63 2.96 1 132 LYS 6.16 1.10 1 133 VAL 6.64 1.09 1 134 ILE 4.53 2.66 1 135 GLN 4.39 2.87 1 136 ARG 5.92 -0.66 1 137 PHE 5.37 1.49 1 138 LEU 5.54 1.98 1 139 THR 3.30 2.33 1 140 ALA 4.07 1.58 1 141 LEU 6.12 1.39 1 142 VAL -0.07 0.73 1 144 GLU 2.37 -2.08 1 145 ILE 1.64 -4.35 1 stop_ save_