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 bmr16732_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.47 _LACS_plot.Line_1_terminator_val_y_1 -2.35 _LACS_plot.Line_1_terminator_val_x_2 2.00 _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 -1.37 _LACS_plot.Line_2_terminator_val_x_2 6.79 _LACS_plot.Line_2_terminator_val_y_2 5.39 _LACS_plot.Y_axis_chem_shift_offset -0.15 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 40 ASP -4.58 1.76 0 10 GLN -3.01 -0.93 1 11 VAL 0.86 1.59 1 13 ASP 0.30 0.05 1 14 VAL -1.17 -2.37 1 15 ARG 4.13 2.51 1 17 GLN 0.18 0.63 1 18 SER 0.66 0.40 1 19 SER 6.80 4.84 1 20 ALA 3.53 3.08 1 21 ASP 4.14 2.89 1 22 ALA 0.90 2.65 1 23 ILE 6.03 5.45 1 24 ALA 4.19 3.17 1 25 THR 6.11 5.17 1 26 LEU 3.53 3.46 1 27 GLN 4.77 3.80 1 28 ASN 3.30 2.90 1 29 ARG -0.91 -1.04 1 31 PHE 1.48 1.38 1 32 LYS -1.92 -0.91 1 33 ILE -4.61 -1.93 1 34 ARG -3.63 -0.99 1 35 THR -2.37 -0.97 1 36 LEU -4.19 -0.85 1 37 GLN -1.88 -1.07 1 38 LYS -3.06 -0.42 1 41 SER 2.11 2.56 1 42 THR 0.70 2.03 1 43 ILE -0.42 -2.32 1 46 ASP 3.05 2.65 1 47 HIS -2.75 -0.98 1 48 VAL 2.90 2.69 1 49 ILE -0.16 2.52 1 51 THR -5.73 -2.77 1 52 ASP -4.13 -0.36 1 54 ALA -2.50 -0.61 1 55 ALA 1.31 1.28 1 56 ASN 3.63 2.38 1 57 THR 1.79 1.91 1 58 SER 0.66 0.54 1 59 VAL -5.06 -2.79 1 60 SER -0.59 0.07 1 61 ALA 1.71 0.62 1 63 ASP 0.50 0.53 1 64 GLU -2.16 -1.07 1 65 ILE -2.79 -2.73 1 66 THR 1.19 0.82 1 67 VAL -0.88 -0.52 1 68 ASN -1.53 -0.22 1 69 VAL -0.79 0.42 1 70 SER -2.27 -1.40 1 71 THR 0.25 -0.97 1 74 GLU 0.63 0.87 1 75 GLN -2.30 -1.49 1 76 ARG -6.47 -2.27 1 77 GLU -0.55 -0.31 1 78 ILE 0.12 -0.29 1 80 ASP 0.78 0.53 1 81 VAL -0.60 -2.37 1 82 SER 1.06 1.30 1 83 THR 4.65 4.70 1 84 LEU -0.78 -0.56 1 85 THR -1.26 0.07 1 86 TYR 6.01 5.86 1 87 ALA 3.10 2.65 1 88 GLU 1.51 2.10 1 89 ALA 3.36 3.12 1 90 VAL 6.19 4.77 1 91 LYS 4.89 4.34 1 92 LYS 3.64 3.30 1 93 LEU 3.05 3.69 1 94 THR 4.91 4.32 1 95 ALA 3.87 2.42 1 96 ALA 0.11 0.15 1 98 PHE 1.86 1.90 1 100 ARG -2.57 -0.85 1 101 PHE -5.94 -1.93 1 102 LYS -4.54 -0.62 1 103 GLN -0.52 0.07 1 104 ALA -5.57 -1.70 1 105 ASN -3.86 -0.64 1 106 SER -4.54 -0.82 1 108 SER -6.30 -0.74 1 109 THR 2.99 0.84 1 111 GLU 3.90 2.29 1 112 LEU -1.65 -1.22 1 113 VAL 4.44 3.02 1 115 LYS -5.98 -3.41 1 116 VAL 2.73 1.60 1 117 ILE -0.17 0.53 1 119 THR -6.16 -2.49 1 120 ASN -3.37 -0.59 1 123 ALA 1.07 0.76 1 124 ASN 4.15 2.62 1 125 GLN -0.69 -0.17 1 126 THR 0.20 0.54 1 127 SER -4.09 -1.30 1 128 ALA 0.65 0.34 1 129 ILE 4.68 3.04 1 130 THR 0.37 -0.50 1 131 ASN -1.00 -0.69 1 132 VAL 0.85 0.28 1 133 VAL -0.27 0.23 1 134 ILE -0.43 -0.65 1 135 ILE 0.45 0.72 1 136 ILE 0.92 0.77 1 137 VAL -2.82 -1.47 1 139 SER -3.03 -1.02 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr16732_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.47 _LACS_plot.Line_1_terminator_val_y_1 4.12 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.11 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.63 _LACS_plot.Line_2_terminator_val_x_2 6.79 _LACS_plot.Line_2_terminator_val_y_2 -1.40 _LACS_plot.Y_axis_chem_shift_offset -0.15 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 40 ASP -4.58 6.34 0 10 GLN -3.01 2.08 1 11 VAL 0.86 0.73 1 13 ASP 0.30 -0.25 1 14 VAL -1.17 -1.20 1 15 ARG 4.13 -1.62 1 17 GLN 0.18 0.45 1 18 SER 0.66 -0.26 1 19 SER 6.80 -1.96 1 20 ALA 3.53 -0.45 1 21 ASP 4.14 -1.25 1 22 ALA 0.90 1.75 1 23 ILE 6.03 -0.58 1 24 ALA 4.19 -1.02 1 25 THR 6.11 -0.94 1 26 LEU 3.53 -0.07 1 27 GLN 4.77 -0.97 1 28 ASN 3.30 -0.40 1 29 ARG -0.91 -0.13 1 31 PHE 1.48 -0.10 1 32 LYS -1.92 1.01 1 33 ILE -4.61 2.68 1 34 ARG -3.63 2.64 1 35 THR -2.37 1.40 1 36 LEU -4.19 3.34 1 37 GLN -1.88 0.81 1 38 LYS -3.06 2.64 1 41 SER 2.11 0.45 1 42 THR 0.70 1.33 1 43 ILE -0.42 -1.90 1 46 ASP 3.05 -0.40 1 47 HIS -2.75 1.77 1 48 VAL 2.90 -0.21 1 49 ILE -0.16 2.68 1 51 THR -5.73 2.96 1 52 ASP -4.13 3.77 1 54 ALA -2.50 1.89 1 55 ALA 1.31 -0.03 1 56 ASN 3.63 -1.25 1 57 THR 1.79 0.12 1 58 SER 0.66 -0.12 1 59 VAL -5.06 2.27 1 60 SER -0.59 0.66 1 61 ALA 1.71 -1.09 1 63 ASP 0.50 0.03 1 64 GLU -2.16 1.09 1 65 ILE -2.79 0.06 1 66 THR 1.19 -0.37 1 67 VAL -0.88 0.36 1 68 ASN -1.53 1.31 1 69 VAL -0.79 1.21 1 70 SER -2.27 0.87 1 71 THR 0.25 -1.22 1 74 GLU 0.63 0.24 1 75 GLN -2.30 0.81 1 76 ARG -6.47 4.20 1 77 GLU -0.55 0.24 1 78 ILE 0.12 -0.41 1 80 ASP 0.78 -0.25 1 81 VAL -0.60 -1.77 1 82 SER 1.06 0.24 1 83 THR 4.65 0.05 1 84 LEU -0.78 0.22 1 85 THR -1.26 1.33 1 86 TYR 6.01 -0.15 1 87 ALA 3.10 -0.45 1 88 GLU 1.51 0.59 1 89 ALA 3.36 -0.24 1 90 VAL 6.19 -1.42 1 91 LYS 4.89 -0.55 1 92 LYS 3.64 -0.34 1 93 LEU 3.05 0.64 1 94 THR 4.91 -0.59 1 95 ALA 3.87 -1.45 1 96 ALA 0.11 0.04 1 98 PHE 1.86 0.04 1 100 ARG -2.57 1.72 1 101 PHE -5.94 4.01 1 102 LYS -4.54 3.92 1 103 GLN -0.52 0.59 1 104 ALA -5.57 3.87 1 105 ASN -3.86 3.22 1 106 SER -4.54 3.72 1 108 SER -6.30 5.56 1 109 THR 2.99 -2.15 1 111 GLU 3.90 -1.61 1 112 LEU -1.65 0.43 1 113 VAL 4.44 -1.42 1 115 LYS -5.98 2.57 1 116 VAL 2.73 -1.13 1 117 ILE -0.17 0.70 1 119 THR -6.16 3.67 1 120 ASN -3.37 2.78 1 123 ALA 1.07 -0.31 1 124 ASN 4.15 -1.53 1 125 GLN -0.69 0.52 1 126 THR 0.20 0.34 1 127 SER -4.09 2.79 1 128 ALA 0.65 -0.31 1 129 ILE 4.68 -1.64 1 130 THR 0.37 -0.87 1 131 ASN -1.00 0.31 1 132 VAL 0.85 -0.57 1 133 VAL -0.27 0.50 1 134 ILE -0.43 -0.22 1 135 ILE 0.45 0.27 1 136 ILE 0.92 -0.15 1 137 VAL -2.82 1.35 1 139 SER -3.03 2.01 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr16732_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.47 _LACS_plot.Line_1_terminator_val_y_1 0.68 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.15 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.25 _LACS_plot.Line_2_terminator_val_x_2 6.79 _LACS_plot.Line_2_terminator_val_y_2 -0.68 _LACS_plot.Y_axis_chem_shift_offset -0.04 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 108 SER -6.30 -0.97 0 10 GLN -3.01 0.70 1 11 VAL 0.86 -0.61 1 13 ASP 0.30 -0.16 1 14 VAL -1.17 0.49 1 15 ARG 4.13 -0.66 1 17 GLN 0.18 0.12 1 18 SER 0.66 -0.80 1 19 SER 6.80 -0.98 1 20 ALA 3.53 -0.31 1 21 ASP 4.14 -0.22 1 22 ALA 0.90 -0.33 1 23 ILE 6.03 -0.77 1 24 ALA 4.19 -0.11 1 25 THR 6.11 0.01 1 26 LEU 3.53 0.22 1 27 GLN 4.77 0.04 1 28 ASN 3.30 -0.20 1 29 ARG -0.91 0.01 1 31 PHE 1.48 -0.05 1 32 LYS -1.92 0.31 1 33 ILE -4.61 1.02 1 34 ARG -3.63 0.32 1 35 THR -2.37 0.87 1 36 LEU -4.19 0.30 1 37 GLN -1.88 1.01 1 38 LYS -3.06 0.27 1 40 ASP -4.58 -0.05 1 41 SER 2.11 -0.34 1 42 THR 0.70 0.06 1 43 ILE -0.42 -0.08 1 46 ASP 3.05 -0.31 1 47 HIS -2.75 0.59 1 48 VAL 2.90 -0.14 1 49 ILE -0.16 -0.14 1 51 THR -5.73 0.98 1 52 ASP -4.13 -0.27 1 54 ALA -2.50 0.01 1 55 ALA 1.31 -0.75 1 56 ASN 3.63 -0.58 1 57 THR 1.79 -0.10 1 58 SER 0.66 0.51 1 59 VAL -5.06 0.57 1 60 SER -0.59 0.35 1 61 ALA 1.71 -0.30 1 63 ASP 0.50 -0.10 1 64 GLU -2.16 0.27 1 65 ILE -2.79 0.16 1 66 THR 1.19 0.47 1 67 VAL -0.88 -0.29 1 68 ASN -1.53 0.59 1 69 VAL -0.79 -0.08 1 70 SER -2.27 0.95 1 71 THR 0.25 0.29 1 74 GLU 0.63 -0.41 1 75 GLN -2.30 0.47 1 76 ARG -6.47 0.40 1 77 GLU -0.55 0.06 1 78 ILE 0.12 -0.46 1 80 ASP 0.78 -0.22 1 81 VAL -0.60 0.31 1 82 SER 1.06 -0.62 1 83 THR 4.65 -0.65 1 84 LEU -0.78 0.23 1 85 THR -1.26 0.25 1 86 TYR 6.01 -0.95 1 87 ALA 3.10 -0.46 1 88 GLU 1.51 -0.46 1 89 ALA 3.36 -0.50 1 90 VAL 6.19 -1.63 1 91 LYS 4.89 -0.42 1 92 LYS 3.64 -0.23 1 93 LEU 3.05 -0.33 1 94 THR 4.91 0.64 1 95 ALA 3.87 -0.13 1 96 ALA 0.11 0.13 1 98 PHE 1.86 -0.20 1 100 ARG -2.57 0.01 1 101 PHE -5.94 1.27 1 102 LYS -4.54 0.27 1 103 GLN -0.52 0.80 1 104 ALA -5.57 0.35 1 105 ASN -3.86 1.25 1 106 SER -4.54 0.19 1 109 THR 2.99 0.00 1 111 GLU 3.90 -0.19 1 112 LEU -1.65 -0.05 1 113 VAL 4.44 -0.88 1 115 LYS -5.98 0.54 1 116 VAL 2.73 0.17 1 117 ILE -0.17 0.13 1 119 THR -6.16 1.01 1 120 ASN -3.37 -0.48 1 123 ALA 1.07 -0.72 1 124 ASN 4.15 -0.52 1 125 GLN -0.69 0.13 1 126 THR 0.20 0.39 1 127 SER -4.09 0.26 1 128 ALA 0.65 0.43 1 129 ILE 4.68 -0.02 1 130 THR 0.37 -0.20 1 131 ASN -1.00 0.01 1 132 VAL 0.85 -0.32 1 133 VAL -0.27 0.13 1 134 ILE -0.43 0.40 1 135 ILE 0.45 -0.09 1 136 ILE 0.92 0.16 1 137 VAL -2.82 0.58 1 139 SER -3.03 0.24 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr16732_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.47 _LACS_plot.Line_1_terminator_val_y_1 -1.96 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.65 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.67 _LACS_plot.Line_2_terminator_val_x_2 6.79 _LACS_plot.Line_2_terminator_val_y_2 2.17 _LACS_plot.Y_axis_chem_shift_offset -0.01 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 83 THR 4.65 -2.23 0 70 SER -2.27 3.53 0 27 GLN 4.77 5.31 0 10 GLN -3.01 0.92 1 11 VAL 0.86 0.08 1 13 ASP 0.30 0.69 1 14 VAL -1.17 -1.23 1 15 ARG 4.13 1.97 1 17 GLN 0.18 1.26 1 18 SER 0.66 0.47 1 19 SER 6.80 1.14 1 20 ALA 3.53 3.20 1 21 ASP 4.14 2.21 1 22 ALA 0.90 1.81 1 23 ILE 6.03 1.16 1 24 ALA 4.19 2.69 1 25 THR 6.11 2.18 1 26 LEU 3.53 2.07 1 28 ASN 3.30 1.77 1 29 ARG -0.91 -0.14 1 31 PHE 1.48 0.09 1 32 LYS -1.92 -0.58 1 33 ILE -4.61 -0.05 1 34 ARG -3.63 -1.59 1 35 THR -2.37 -0.80 1 36 LEU -4.19 -2.53 1 37 GLN -1.88 0.18 1 38 LYS -3.06 -2.56 1 40 ASP -4.58 -0.66 1 41 SER 2.11 -0.76 1 42 THR 0.70 -0.35 1 43 ILE -0.42 0.59 1 46 ASP 3.05 -2.21 1 47 HIS -2.75 0.04 1 48 VAL 2.90 -0.39 1 49 ILE -0.16 -0.30 1 51 THR -5.73 -1.05 1 52 ASP -4.13 -0.86 1 54 ALA -2.50 -0.28 1 55 ALA 1.31 -0.18 1 56 ASN 3.63 -0.51 1 57 THR 1.79 -1.11 1 58 SER 0.66 -0.78 1 59 VAL -5.06 -1.99 1 60 SER -0.59 -0.57 1 61 ALA 1.71 2.18 1 63 ASP 0.50 -1.68 1 64 GLU -2.16 -1.49 1 65 ILE -2.79 -1.15 1 66 THR 1.19 -1.24 1 67 VAL -0.88 -2.73 1 68 ASN -1.53 -1.36 1 69 VAL -0.79 -2.18 1 71 THR 0.25 0.81 1 74 GLU 0.63 -1.58 1 75 GLN -2.30 -0.32 1 76 ARG -6.47 -1.49 1 77 GLU -0.55 -0.08 1 78 ILE 0.12 -0.23 1 80 ASP 0.78 0.66 1 81 VAL -0.60 -2.19 1 82 SER 1.06 2.79 1 84 LEU -0.78 -0.30 1 85 THR -1.26 0.75 1 86 TYR 6.01 0.68 1 87 ALA 3.10 3.92 1 88 GLU 1.51 2.67 1 89 ALA 3.36 1.19 1 90 VAL 6.19 3.33 1 91 LYS 4.89 2.60 1 92 LYS 3.64 3.34 1 93 LEU 3.05 1.63 1 94 THR 4.91 4.57 1 95 ALA 3.87 1.07 1 96 ALA 0.11 -1.13 1 98 PHE 1.86 -1.05 1 100 ARG -2.57 -3.14 1 101 PHE -5.94 -0.02 1 102 LYS -4.54 -3.12 1 103 GLN -0.52 -0.72 1 104 ALA -5.57 -2.90 1 105 ASN -3.86 0.03 1 106 SER -4.54 -1.54 1 108 SER -6.30 -0.89 1 109 THR 2.99 2.63 1 111 GLU 3.90 0.68 1 112 LEU -1.65 -1.69 1 113 VAL 4.44 2.27 1 115 LYS -5.98 -1.64 1 116 VAL 2.73 1.15 1 117 ILE -0.17 0.18 1 119 THR -6.16 0.24 1 120 ASN -3.37 -0.18 1 123 ALA 1.07 0.98 1 124 ASN 4.15 -0.54 1 125 GLN -0.69 -0.58 1 126 THR 0.20 -0.12 1 127 SER -4.09 -0.95 1 128 ALA 0.65 3.85 1 129 ILE 4.68 0.56 1 130 THR 0.37 0.28 1 131 ASN -1.00 -0.68 1 132 VAL 0.85 -0.69 1 133 VAL -0.27 -1.00 1 134 ILE -0.43 -0.77 1 135 ILE 0.45 -2.37 1 136 ILE 0.92 -1.23 1 137 VAL -2.82 0.41 1 139 SER -3.03 -0.53 1 stop_ save_