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 bmr17830_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.06 _LACS_plot.Line_1_terminator_val_y_1 -2.69 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.91 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.62 _LACS_plot.Line_2_terminator_val_x_2 5.69 _LACS_plot.Line_2_terminator_val_y_2 4.49 _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 20 PHE -3.84 -4.55 0 10 ARG 0.42 0.28 1 11 SER 0.29 0.27 1 12 GLN 0.97 0.25 1 13 PHE -0.08 -0.48 1 14 VAL 1.56 -0.05 1 16 ALA 4.45 3.75 1 17 ASP 2.97 2.10 1 18 GLN 0.85 0.85 1 19 ALA 3.45 1.51 1 21 ALA -0.04 -0.12 1 22 PHE -3.53 -1.02 1 23 ASP -5.26 -1.68 1 24 PHE -5.71 -2.55 1 25 GLN -2.86 0.05 1 26 GLN -2.65 -1.33 1 27 ASN -1.00 -0.57 1 28 GLN 5.65 2.85 1 29 HIS 2.59 2.78 1 30 ASP -1.02 0.19 1 31 LEU -4.20 -1.83 1 32 ASN -2.92 -0.48 1 33 LEU -2.60 -2.00 1 34 THR -3.68 -1.42 1 35 TRP -4.46 -0.08 1 36 GLN -0.35 -0.55 1 37 ILE 0.14 -0.06 1 38 LYS 0.64 1.21 1 39 ASP 2.28 2.50 1 41 TYR -2.84 -0.95 1 42 TYR -4.48 -1.91 1 43 LEU -7.06 -2.49 1 44 TYR -0.38 0.41 1 45 ARG 4.44 4.37 1 46 LYS 2.53 1.49 1 47 GLN -1.69 -1.97 1 48 ILE 1.70 0.70 1 49 ARG -3.51 -0.75 1 50 ILE -2.51 -0.58 1 51 THR -2.49 -0.67 1 53 GLU -2.02 -0.31 1 54 HIS 4.27 1.78 1 55 ALA -5.73 -1.78 1 56 LYS -3.47 -1.28 1 57 ILE -4.62 -2.48 1 58 ALA -1.74 -1.35 1 59 ASP 1.95 1.46 1 60 VAL 0.63 0.59 1 61 GLN -1.27 -1.79 1 62 LEU 1.43 -0.26 1 64 GLN 1.85 1.84 1 66 VAL -3.93 -2.24 1 67 TRP 0.82 0.93 1 69 GLU -3.53 -1.48 1 70 ASP -3.91 -1.31 1 71 GLU 0.81 0.24 1 72 PHE 2.13 1.75 1 73 TYR -1.79 -0.29 1 75 LYS 1.96 1.05 1 76 SER -3.07 0.34 1 77 GLU -2.49 -1.53 1 78 ILE -5.62 -1.72 1 79 TYR -5.07 -2.29 1 80 ARG -4.54 -1.33 1 81 ASP 5.69 5.00 1 82 ARG -2.32 -0.47 1 83 LEU -4.08 -1.06 1 84 THR -1.36 -0.59 1 85 LEU -6.28 -2.32 1 87 VAL -3.96 -1.49 1 88 THR 0.29 0.55 1 89 ILE -0.69 -1.19 1 90 ASN 2.12 2.47 1 91 GLN -1.25 0.11 1 92 ALA -1.55 0.66 1 93 SER -1.23 -0.46 1 94 ALA 2.69 1.35 1 96 ALA -2.53 0.41 1 97 THR -6.52 -2.20 1 98 LEU -4.51 -1.55 1 99 THR 1.75 1.20 1 100 VAL -2.38 -1.22 1 101 THR -2.91 -1.44 1 102 TYR -2.35 -2.29 1 103 GLN -4.25 -0.92 1 106 ALA -5.02 -2.15 1 107 ASP 4.28 4.06 1 108 ALA 1.28 0.64 1 110 PHE -1.63 -0.08 1 112 TYR 2.77 2.36 1 115 GLU -5.46 -2.39 1 116 THR -1.49 -0.06 1 117 LYS -6.00 -3.45 1 118 THR 0.78 0.67 1 119 VAL -2.04 -1.27 1 121 LEU -3.46 -2.47 1 122 SER -0.22 -0.17 1 123 GLU 0.13 1.05 1 124 VAL -3.21 -0.74 1 125 VAL 0.07 -0.23 1 126 ALA -0.22 -0.15 1 127 ASN 0.25 -0.02 1 128 ASN 0.29 0.02 1 129 ALA -0.78 -0.30 1 130 ALA -0.39 -0.26 1 132 GLN -0.45 -0.22 1 134 VAL 0.46 0.44 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17830_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.06 _LACS_plot.Line_1_terminator_val_y_1 4.37 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.09 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.38 _LACS_plot.Line_2_terminator_val_x_2 5.69 _LACS_plot.Line_2_terminator_val_y_2 -1.20 _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 20 PHE -3.84 -0.71 0 10 ARG 0.42 -0.14 1 11 SER 0.29 -0.02 1 12 GLN 0.97 -0.72 1 13 PHE -0.08 -0.40 1 14 VAL 1.56 -1.61 1 16 ALA 4.45 -0.70 1 17 ASP 2.97 -0.87 1 18 GLN 0.85 0.00 1 19 ALA 3.45 -1.94 1 21 ALA -0.04 -0.08 1 22 PHE -3.53 2.51 1 23 ASP -5.26 3.58 1 24 PHE -5.71 3.16 1 25 GLN -2.86 2.91 1 26 GLN -2.65 1.32 1 27 ASN -1.00 0.43 1 28 GLN 5.65 -2.80 1 29 HIS 2.59 0.19 1 30 ASP -1.02 1.21 1 31 LEU -4.20 2.37 1 32 ASN -2.92 2.44 1 33 LEU -2.60 0.60 1 34 THR -3.68 2.26 1 35 TRP -4.46 4.38 1 36 GLN -0.35 -0.20 1 37 ILE 0.14 -0.20 1 38 LYS 0.64 0.57 1 39 ASP 2.28 0.22 1 41 TYR -2.84 1.89 1 42 TYR -4.48 2.57 1 43 LEU -7.06 4.57 1 44 TYR -0.38 0.79 1 45 ARG 4.44 -0.07 1 46 LYS 2.53 -1.04 1 47 GLN -1.69 -0.28 1 48 ILE 1.70 -1.00 1 49 ARG -3.51 2.76 1 50 ILE -2.51 1.93 1 51 THR -2.49 1.82 1 53 GLU -2.02 1.71 1 54 HIS 4.27 -2.49 1 55 ALA -5.73 3.95 1 56 LYS -3.47 2.19 1 57 ILE -4.62 2.14 1 58 ALA -1.74 0.39 1 59 ASP 1.95 -0.49 1 60 VAL 0.63 -0.04 1 61 GLN -1.27 -0.52 1 62 LEU 1.43 -1.69 1 64 GLN 1.85 -0.01 1 66 VAL -3.93 1.69 1 67 TRP 0.82 0.11 1 69 GLU -3.53 2.05 1 70 ASP -3.91 2.60 1 71 GLU 0.81 -0.57 1 72 PHE 2.13 -0.38 1 73 TYR -1.79 1.50 1 75 LYS 1.96 -0.91 1 76 SER -3.07 3.41 1 77 GLU -2.49 0.96 1 78 ILE -5.62 3.90 1 79 TYR -5.07 2.78 1 80 ARG -4.54 3.21 1 81 ASP 5.69 -0.69 1 82 ARG -2.32 1.85 1 83 LEU -4.08 3.02 1 84 THR -1.36 0.77 1 85 LEU -6.28 3.96 1 87 VAL -3.96 2.47 1 88 THR 0.29 0.26 1 89 ILE -0.69 -0.50 1 90 ASN 2.12 0.35 1 91 GLN -1.25 1.36 1 92 ALA -1.55 2.21 1 93 SER -1.23 0.77 1 94 ALA 2.69 -1.34 1 96 ALA -2.53 2.94 1 97 THR -6.52 4.32 1 98 LEU -4.51 2.96 1 99 THR 1.75 -0.55 1 100 VAL -2.38 1.16 1 101 THR -2.91 1.47 1 102 TYR -2.35 0.06 1 103 GLN -4.25 3.33 1 106 ALA -5.02 2.87 1 107 ASP 4.28 -0.22 1 108 ALA 1.28 -0.64 1 110 PHE -1.63 1.55 1 112 TYR 2.77 -0.41 1 115 GLU -5.46 3.07 1 116 THR -1.49 1.43 1 117 LYS -6.00 2.55 1 118 THR 0.78 -0.11 1 119 VAL -2.04 0.77 1 121 LEU -3.46 0.99 1 122 SER -0.22 0.05 1 123 GLU 0.13 0.92 1 124 VAL -3.21 2.47 1 125 VAL 0.07 -0.30 1 126 ALA -0.22 0.07 1 127 ASN 0.25 -0.27 1 128 ASN 0.29 -0.27 1 129 ALA -0.78 0.48 1 130 ALA -0.39 0.13 1 132 GLN -0.45 0.23 1 134 VAL 0.46 -0.02 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17830_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.06 _LACS_plot.Line_1_terminator_val_y_1 0.75 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.14 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.26 _LACS_plot.Line_2_terminator_val_x_2 5.69 _LACS_plot.Line_2_terminator_val_y_2 -0.53 _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 101 THR -2.91 1.42 0 23 ASP -5.26 -0.42 0 19 ALA 3.45 -1.25 0 10 ARG 0.42 -0.03 1 11 SER 0.29 -0.15 1 12 GLN 0.97 -0.23 1 13 PHE -0.08 0.07 1 14 VAL 1.56 -0.01 1 16 ALA 4.45 -0.73 1 17 ASP 2.97 -0.20 1 18 GLN 0.85 -0.18 1 20 PHE -3.84 0.29 1 21 ALA -0.04 0.30 1 22 PHE -3.53 0.32 1 24 PHE -5.71 0.68 1 25 GLN -2.86 -0.01 1 26 GLN -2.65 0.66 1 27 ASN -1.00 0.06 1 28 GLN 5.65 -0.74 1 29 HIS 2.59 -0.25 1 30 ASP -1.02 0.36 1 31 LEU -4.20 0.74 1 32 ASN -2.92 0.58 1 33 LEU -2.60 0.21 1 34 THR -3.68 1.12 1 35 TRP -4.46 0.75 1 36 GLN -0.35 0.29 1 37 ILE 0.14 0.54 1 38 LYS 0.64 -0.26 1 39 ASP 2.28 0.03 1 41 TYR -2.84 0.77 1 42 TYR -4.48 0.81 1 43 LEU -7.06 0.22 1 44 TYR -0.38 -0.05 1 45 ARG 4.44 -0.52 1 46 LYS 2.53 -0.24 1 47 GLN -1.69 0.07 1 48 ILE 1.70 0.69 1 49 ARG -3.51 0.33 1 50 ILE -2.51 0.76 1 51 THR -2.49 0.40 1 53 GLU -2.02 0.08 1 54 HIS 4.27 -0.55 1 55 ALA -5.73 0.59 1 56 LYS -3.47 0.43 1 57 ILE -4.62 1.05 1 58 ALA -1.74 0.12 1 59 ASP 1.95 -0.24 1 60 VAL 0.63 -0.05 1 61 GLN -1.27 0.18 1 62 LEU 1.43 -0.18 1 64 GLN 1.85 -0.22 1 66 VAL -3.93 0.42 1 67 TRP 0.82 0.12 1 69 GLU -3.53 0.73 1 70 ASP -3.91 0.06 1 71 GLU 0.81 -0.29 1 72 PHE 2.13 -0.41 1 73 TYR -1.79 0.12 1 75 LYS 1.96 0.57 1 76 SER -3.07 0.43 1 77 GLU -2.49 -0.52 1 78 ILE -5.62 0.87 1 79 TYR -5.07 0.70 1 80 ARG -4.54 0.30 1 81 ASP 5.69 -0.25 1 82 ARG -2.32 0.70 1 83 LEU -4.08 0.23 1 84 THR -1.36 0.89 1 85 LEU -6.28 0.40 1 87 VAL -3.96 0.33 1 88 THR 0.29 0.57 1 89 ILE -0.69 -0.03 1 90 ASN 2.12 0.00 1 91 GLN -1.25 -0.17 1 92 ALA -1.55 0.41 1 93 SER -1.23 0.19 1 94 ALA 2.69 -0.14 1 96 ALA -2.53 0.17 1 97 THR -6.52 0.82 1 98 LEU -4.51 0.51 1 99 THR 1.75 0.49 1 100 VAL -2.38 0.81 1 102 TYR -2.35 0.31 1 103 GLN -4.25 0.67 1 106 ALA -5.02 0.48 1 107 ASP 4.28 0.03 1 108 ALA 1.28 0.05 1 110 PHE -1.63 -0.18 1 112 TYR 2.77 -0.60 1 115 GLU -5.46 -0.01 1 116 THR -1.49 0.76 1 117 LYS -6.00 0.38 1 118 THR 0.78 0.40 1 119 VAL -2.04 -0.48 1 121 LEU -3.46 0.24 1 122 SER -0.22 -0.09 1 123 GLU 0.13 -0.70 1 124 VAL -3.21 0.03 1 125 VAL 0.07 0.07 1 126 ALA -0.22 0.22 1 127 ASN 0.25 -0.07 1 128 ASN 0.29 -0.07 1 129 ALA -0.78 -0.06 1 130 ALA -0.39 -0.06 1 132 GLN -0.45 -0.07 1 134 VAL 0.46 -0.04 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17830_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.06 _LACS_plot.Line_1_terminator_val_y_1 -2.29 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.36 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.26 _LACS_plot.Line_2_terminator_val_x_2 5.69 _LACS_plot.Line_2_terminator_val_y_2 0.56 _LACS_plot.Y_axis_chem_shift_offset 0.79 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 23 ASP -5.26 -4.99 0 106 ALA -5.02 1.64 0 110 PHE -1.63 -5.02 0 10 ARG 0.42 0.16 1 11 SER 0.29 -0.40 1 12 GLN 0.97 -1.09 1 13 PHE -0.08 -0.27 1 14 VAL 1.56 -1.47 1 16 ALA 4.45 0.61 1 17 ASP 2.97 0.35 1 18 GLN 0.85 0.38 1 19 ALA 3.45 -2.35 1 20 PHE -3.84 -2.47 1 21 ALA -0.04 -1.34 1 22 PHE -3.53 -1.68 1 24 PHE -5.71 -2.21 1 25 GLN -2.86 -2.07 1 26 GLN -2.65 -1.73 1 27 ASN -1.00 -0.84 1 28 GLN 5.65 -1.44 1 29 HIS 2.59 -0.31 1 30 ASP -1.02 -2.48 1 31 LEU -4.20 -3.86 1 32 ASN -2.92 -0.91 1 33 LEU -2.60 -2.60 1 34 THR -3.68 -2.68 1 35 TRP -4.46 -0.38 1 36 GLN -0.35 -0.53 1 37 ILE 0.14 -1.33 1 38 LYS 0.64 -1.24 1 39 ASP 2.28 1.23 1 41 TYR -2.84 -2.03 1 42 TYR -4.48 -2.22 1 43 LEU -7.06 -0.34 1 44 TYR -0.38 0.92 1 45 ARG 4.44 1.11 1 46 LYS 2.53 -0.32 1 47 GLN -1.69 -1.12 1 48 ILE 1.70 -0.36 1 49 ARG -3.51 -1.79 1 50 ILE -2.51 -1.08 1 51 THR -2.49 -0.02 1 53 GLU -2.02 -1.77 1 54 HIS 4.27 -2.14 1 55 ALA -5.73 -2.84 1 56 LYS -3.47 -0.80 1 57 ILE -4.62 -1.09 1 58 ALA -1.74 -0.21 1 59 ASP 1.95 0.34 1 60 VAL 0.63 -0.30 1 61 GLN -1.27 -1.17 1 62 LEU 1.43 0.16 1 64 GLN 1.85 0.94 1 66 VAL -3.93 -1.13 1 67 TRP 0.82 0.56 1 69 GLU -3.53 -2.33 1 70 ASP -3.91 0.17 1 71 GLU 0.81 -1.08 1 72 PHE 2.13 1.13 1 73 TYR -1.79 -0.09 1 75 LYS 1.96 -0.32 1 76 SER -3.07 -3.63 1 77 GLU -2.49 0.31 1 78 ILE -5.62 -2.62 1 79 TYR -5.07 -0.84 1 80 ARG -4.54 -0.01 1 81 ASP 5.69 -1.49 1 82 ARG -2.32 -2.33 1 83 LEU -4.08 -3.33 1 84 THR -1.36 -2.18 1 85 LEU -6.28 -2.65 1 87 VAL -3.96 -0.90 1 88 THR 0.29 -1.36 1 89 ILE -0.69 -1.11 1 90 ASN 2.12 -0.08 1 91 GLN -1.25 -2.87 1 92 ALA -1.55 -1.67 1 93 SER -1.23 -1.84 1 94 ALA 2.69 1.54 1 96 ALA -2.53 -0.70 1 97 THR -6.52 -1.17 1 98 LEU -4.51 -1.91 1 99 THR 1.75 -0.78 1 100 VAL -2.38 -2.61 1 101 THR -2.91 -2.18 1 102 TYR -2.35 -3.67 1 103 GLN -4.25 -2.13 1 107 ASP 4.28 1.08 1 108 ALA 1.28 -0.10 1 112 TYR 2.77 -1.11 1 115 GLU -5.46 -2.12 1 116 THR -1.49 -0.66 1 117 LYS -6.00 -1.46 1 118 THR 0.78 -0.96 1 119 VAL -2.04 -1.94 1 121 LEU -3.46 -0.32 1 122 SER -0.22 -1.45 1 123 GLU 0.13 -0.29 1 124 VAL -3.21 -1.06 1 125 VAL 0.07 -0.69 1 126 ALA -0.22 0.01 1 127 ASN 0.25 -0.11 1 128 ASN 0.29 -0.51 1 129 ALA -0.78 -0.90 1 134 VAL 0.46 0.43 1 stop_ save_