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 bmr17090_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -4.29 _LACS_plot.Line_1_terminator_val_y_1 -3.34 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 2.03 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.99 _LACS_plot.Line_2_terminator_val_x_2 9.44 _LACS_plot.Line_2_terminator_val_y_2 7.07 _LACS_plot.Y_axis_chem_shift_offset -0.37 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 44 THR 4.18 -0.81 0 10 LEU 4.72 2.65 1 11 TRP 4.07 3.77 1 12 ALA 3.49 2.57 1 13 ILE 5.28 3.97 1 14 LEU 3.47 2.64 1 15 LYS 1.58 0.84 1 16 ASP 2.39 1.16 1 17 GLU -0.38 0.41 1 18 LEU -2.51 -1.01 1 19 SER -0.94 0.06 1 20 ASP 4.76 3.68 1 21 ALA 3.52 2.65 1 22 GLU 1.74 2.31 1 23 ALA 4.87 2.97 1 24 ASN 3.35 2.86 1 25 ALA 3.47 2.27 1 26 LEU 2.33 2.82 1 27 VAL 6.35 4.36 1 28 TRP 1.83 0.67 1 29 GLN 3.69 3.20 1 30 ALA 3.85 2.70 1 31 LEU -0.54 1.04 1 33 TYR 2.54 2.83 1 34 VAL -4.29 -0.29 1 35 TRP -0.63 -1.16 1 36 ASP -3.14 -2.01 1 37 GLU 1.59 1.74 1 38 ALA 2.72 2.08 1 39 GLN -1.93 -0.88 1 40 SER 2.16 -0.30 1 42 TRP -1.13 -0.41 1 43 LYS -1.06 -0.75 1 45 ASP 3.69 3.10 1 46 LEU 0.00 -1.01 1 47 VAL -0.18 -0.80 1 48 ALA 1.05 1.07 1 50 GLU 3.84 2.49 1 51 TRP 2.24 2.87 1 52 ARG 3.61 2.89 1 53 GLN 3.60 2.59 1 54 ASP -0.34 1.25 1 55 TYR -0.10 0.19 1 57 GLU -2.73 -1.92 1 60 ASP -1.37 -1.96 1 61 PHE 4.82 4.37 1 62 ILE 3.41 2.75 1 63 ALA -1.60 -0.09 1 64 SER -1.12 -2.05 1 65 ARG 9.44 6.75 1 67 ALA 3.95 3.01 1 68 THR 7.61 5.87 1 69 VAL 6.14 4.95 1 70 LYS 4.00 3.77 1 71 LEU 3.34 3.29 1 72 THR 6.30 5.53 1 73 ARG 3.12 2.49 1 74 SER 0.59 1.24 1 75 ILE 1.21 1.84 1 77 ALA 8.16 6.28 1 79 TYR -3.85 -4.57 1 80 LYS 2.98 3.04 1 81 GLN -0.24 -1.32 1 82 LEU 3.66 3.38 1 83 LEU 4.13 3.81 1 84 LYS 2.10 2.63 1 85 GLU 1.47 2.55 1 86 GLU 0.28 1.53 1 87 LEU 0.25 0.12 1 89 PHE -0.57 -0.66 1 90 ALA -0.50 -0.16 1 92 TYR -0.61 0.21 1 93 SER -0.23 -0.04 1 94 ILE 2.56 2.31 1 95 ASN 1.91 1.35 1 96 GLU -2.02 -0.87 1 97 LEU 1.49 0.65 1 98 VAL -1.32 -1.04 1 100 ARG 5.21 4.41 1 101 LYS 4.77 3.43 1 102 THR 6.13 4.55 1 103 ARG 6.15 4.59 1 104 ARG 3.81 3.82 1 105 ALA 5.56 3.51 1 106 THR 7.11 5.56 1 107 MET 2.58 4.49 1 108 THR 8.99 6.39 1 109 ASN 2.58 3.34 1 110 TRP 6.77 5.99 1 111 LEU 2.56 3.08 1 112 LEU 2.64 2.89 1 113 ALA 2.73 2.12 1 114 TYR 4.15 3.18 1 115 ARG 3.27 3.37 1 116 ARG 3.09 1.40 1 117 SER 2.10 1.87 1 118 GLN 0.37 0.15 1 119 GLN -0.66 -0.01 1 120 ASP 0.76 1.83 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17090_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -4.29 _LACS_plot.Line_1_terminator_val_y_1 0.95 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.03 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 1.01 _LACS_plot.Line_2_terminator_val_x_2 9.44 _LACS_plot.Line_2_terminator_val_y_2 -2.37 _LACS_plot.Y_axis_chem_shift_offset -0.37 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 44 THR 4.18 -4.99 0 10 LEU 4.72 -2.07 1 11 TRP 4.07 -0.30 1 12 ALA 3.49 -0.92 1 13 ILE 5.28 -1.31 1 14 LEU 3.47 -0.83 1 15 LYS 1.58 -0.74 1 16 ASP 2.39 -1.23 1 17 GLU -0.38 0.79 1 18 LEU -2.51 1.50 1 19 SER -0.94 1.00 1 20 ASP 4.76 -1.08 1 21 ALA 3.52 -0.87 1 22 GLU 1.74 0.57 1 23 ALA 4.87 -1.90 1 24 ASN 3.35 -0.49 1 25 ALA 3.47 -1.20 1 26 LEU 2.33 0.49 1 27 VAL 6.35 -1.99 1 28 TRP 1.83 -1.16 1 29 GLN 3.69 -0.49 1 30 ALA 3.85 -1.15 1 31 LEU -0.54 1.58 1 33 TYR 2.54 0.29 1 34 VAL -4.29 4.00 1 35 TRP -0.63 -0.53 1 36 ASP -3.14 1.13 1 37 GLU 1.59 0.15 1 38 ALA 2.72 -0.64 1 39 GLN -1.93 1.05 1 40 SER 2.16 -2.46 1 42 TRP -1.13 0.72 1 43 LYS -1.06 0.31 1 45 ASP 3.69 -0.59 1 46 LEU 0.00 -1.01 1 47 VAL -0.18 -0.62 1 48 ALA 1.05 0.02 1 50 GLU 3.84 -1.35 1 51 TRP 2.24 0.63 1 52 ARG 3.61 -0.72 1 53 GLN 3.60 -1.01 1 54 ASP -0.34 1.59 1 55 TYR -0.10 0.29 1 57 GLU -2.73 0.81 1 60 ASP -1.37 -0.59 1 61 PHE 4.82 -0.45 1 62 ILE 3.41 -0.66 1 63 ALA -1.60 1.51 1 64 SER -1.12 -0.93 1 65 ARG 9.44 -2.69 1 67 ALA 3.95 -0.94 1 68 THR 7.61 -1.74 1 69 VAL 6.14 -1.19 1 70 LYS 4.00 -0.23 1 71 LEU 3.34 -0.05 1 72 THR 6.30 -0.77 1 73 ARG 3.12 -0.63 1 74 SER 0.59 0.65 1 75 ILE 1.21 0.63 1 77 ALA 8.16 -1.88 1 79 TYR -3.85 -0.72 1 80 LYS 2.98 0.06 1 81 GLN -0.24 -1.08 1 82 LEU 3.66 -0.28 1 83 LEU 4.13 -0.32 1 84 LYS 2.10 0.53 1 85 GLU 1.47 1.08 1 86 GLU 0.28 1.25 1 87 LEU 0.25 -0.13 1 89 PHE -0.57 -0.09 1 90 ALA -0.50 0.34 1 92 TYR -0.61 0.82 1 93 SER -0.23 0.19 1 94 ILE 2.56 -0.25 1 95 ASN 1.91 -0.56 1 96 GLU -2.02 1.15 1 97 LEU 1.49 -0.84 1 98 VAL -1.32 0.28 1 100 ARG 5.21 -0.80 1 101 LYS 4.77 -1.34 1 102 THR 6.13 -1.58 1 103 ARG 6.15 -1.56 1 104 ARG 3.81 0.01 1 105 ALA 5.56 -2.05 1 106 THR 7.11 -1.55 1 107 MET 2.58 1.91 1 108 THR 8.99 -2.60 1 109 ASN 2.58 0.76 1 110 TRP 6.77 -0.78 1 111 LEU 2.56 0.52 1 112 LEU 2.64 0.25 1 113 ALA 2.73 -0.61 1 114 TYR 4.15 -0.97 1 115 ARG 3.27 0.10 1 116 ARG 3.09 -1.69 1 117 SER 2.10 -0.23 1 118 GLN 0.37 -0.22 1 119 GLN -0.66 0.65 1 120 ASP 0.76 1.07 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17090_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -4.29 _LACS_plot.Line_1_terminator_val_y_1 0.23 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.32 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.02 _LACS_plot.Line_2_terminator_val_x_2 9.44 _LACS_plot.Line_2_terminator_val_y_2 -0.79 _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 SER 2.16 -1.27 0 10 LEU 4.72 -0.54 1 11 TRP 4.07 -0.47 1 12 ALA 3.49 -0.13 1 13 ILE 5.28 -0.61 1 14 LEU 3.47 -0.54 1 15 LYS 1.58 0.02 1 16 ASP 2.39 -0.19 1 17 GLU -0.38 -0.11 1 18 LEU -2.51 0.05 1 19 SER -0.94 -0.26 1 20 ASP 4.76 -0.73 1 21 ALA 3.52 -0.47 1 22 GLU 1.74 -0.62 1 23 ALA 4.87 -0.63 1 24 ASN 3.35 -1.03 1 25 ALA 3.47 -0.95 1 26 LEU 2.33 -0.33 1 27 VAL 6.35 -0.83 1 28 TRP 1.83 -0.42 1 29 GLN 3.69 -0.02 1 30 ALA 3.85 -0.48 1 31 LEU -0.54 -0.27 1 33 TYR 2.54 -0.57 1 34 VAL -4.29 0.44 1 35 TRP -0.63 -0.55 1 36 ASP -3.14 -0.28 1 37 GLU 1.59 -0.64 1 38 ALA 2.72 -0.28 1 39 GLN -1.93 -0.20 1 42 TRP -1.13 0.23 1 43 LYS -1.06 0.50 1 44 THR 4.18 0.07 1 45 ASP 3.69 -0.49 1 46 LEU 0.00 0.06 1 47 VAL -0.18 -0.08 1 48 ALA 1.05 -0.07 1 50 GLU 3.84 -0.39 1 51 TRP 2.24 -0.28 1 52 ARG 3.61 -0.48 1 53 GLN 3.60 -0.43 1 54 ASP -0.34 -0.37 1 55 TYR -0.10 0.01 1 57 GLU -2.73 -0.57 1 60 ASP -1.37 -0.28 1 61 PHE 4.82 -0.81 1 62 ILE 3.41 -0.69 1 63 ALA -1.60 -0.12 1 64 SER -1.12 0.19 1 65 ARG 9.44 -0.53 1 67 ALA 3.95 -0.20 1 68 THR 7.61 -0.19 1 69 VAL 6.14 -0.46 1 70 LYS 4.00 -0.47 1 71 LEU 3.34 -0.18 1 72 THR 6.30 -0.51 1 73 ARG 3.12 -0.20 1 74 SER 0.59 0.09 1 75 ILE 1.21 -0.27 1 77 ALA 8.16 -0.54 1 79 TYR -3.85 0.52 1 80 LYS 2.98 -0.33 1 81 GLN -0.24 0.50 1 82 LEU 3.66 -0.33 1 83 LEU 4.13 -0.78 1 84 LYS 2.10 -0.30 1 85 GLU 1.47 -0.47 1 86 GLU 0.28 0.05 1 87 LEU 0.25 0.16 1 89 PHE -0.57 0.12 1 90 ALA -0.50 -0.39 1 92 TYR -0.61 0.05 1 93 SER -0.23 -0.11 1 94 ILE 2.56 -0.24 1 95 ASN 1.91 -0.21 1 96 GLU -2.02 -0.02 1 97 LEU 1.49 -0.32 1 98 VAL -1.32 0.17 1 100 ARG 5.21 -0.48 1 101 LYS 4.77 -0.32 1 102 THR 6.13 -0.25 1 103 ARG 6.15 -0.28 1 104 ARG 3.81 -0.16 1 105 ALA 5.56 -0.42 1 106 THR 7.11 -0.40 1 107 MET 2.58 -0.91 1 108 THR 8.99 -0.79 1 109 ASN 2.58 -0.47 1 110 TRP 6.77 -0.90 1 111 LEU 2.56 -0.42 1 112 LEU 2.64 -0.60 1 113 ALA 2.73 -0.97 1 114 TYR 4.15 -0.97 1 115 ARG 3.27 -0.53 1 116 ARG 3.09 -0.42 1 117 SER 2.10 -0.14 1 118 GLN 0.37 -0.26 1 119 GLN -0.66 -0.06 1 120 ASP 0.76 -0.31 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17090_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -4.29 _LACS_plot.Line_1_terminator_val_y_1 -1.87 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.55 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.96 _LACS_plot.Line_2_terminator_val_x_2 6.35 _LACS_plot.Line_2_terminator_val_y_2 2.16 _LACS_plot.Y_axis_chem_shift_offset 0.22 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 79 TYR -3.85 0.06 0 43 LYS -1.06 2.62 0 10 LEU 4.72 2.18 1 11 TRP 4.07 1.80 1 13 ILE 5.28 4.13 1 14 LEU 3.47 1.89 1 15 LYS 1.58 -1.65 1 16 ASP 2.39 -1.97 1 17 GLU -0.38 0.23 1 18 LEU -2.51 0.08 1 19 SER -0.94 -0.90 1 20 ASP 4.76 0.54 1 21 ALA 3.52 2.96 1 22 GLU 1.74 1.62 1 23 ALA 4.87 0.13 1 24 ASN 3.35 0.07 1 25 ALA 3.47 2.14 1 26 LEU 2.33 0.39 1 27 VAL 6.35 1.21 1 28 TRP 1.83 2.39 1 29 GLN 3.69 3.96 1 30 ALA 3.85 1.21 1 33 TYR 2.54 0.51 1 34 VAL -4.29 -2.59 1 35 TRP -0.63 -2.08 1 36 ASP -3.14 -1.57 1 37 GLU 1.59 1.02 1 38 ALA 2.72 1.71 1 39 GLN -1.93 -1.51 1 40 SER 2.16 -2.01 1 42 TRP -1.13 0.41 1 45 ASP 3.69 0.41 1 46 LEU 0.00 -1.45 1 47 VAL -0.18 -0.93 1 50 GLU 3.84 1.07 1 51 TRP 2.24 0.33 1 52 ARG 3.61 0.29 1 53 GLN 3.60 0.38 1 54 ASP -0.34 -1.07 1 60 ASP -1.37 -1.11 1 61 PHE 4.82 -0.56 1 62 ILE 3.41 0.76 1 63 ALA -1.60 -0.11 1 64 SER -1.12 -0.77 1 69 VAL 6.14 1.51 1 70 LYS 4.00 2.89 1 71 LEU 3.34 2.75 1 72 THR 6.30 2.23 1 73 ARG 3.12 0.21 1 74 SER 0.59 -0.09 1 80 LYS 2.98 -0.06 1 81 GLN -0.24 0.34 1 82 LEU 3.66 1.36 1 83 LEU 4.13 -0.09 1 84 LYS 2.10 2.02 1 85 GLU 1.47 0.53 1 89 PHE -0.57 -1.46 1 92 TYR -0.61 0.06 1 93 SER -0.23 0.76 1 94 ILE 2.56 0.11 1 95 ASN 1.91 -0.01 1 96 GLU -2.02 -1.30 1 97 LEU 1.49 -1.62 1 100 ARG 5.21 1.44 1 101 LYS 4.77 2.52 1 102 THR 6.13 3.01 1 111 LEU 2.56 1.05 1 112 LEU 2.64 1.27 1 113 ALA 2.73 0.99 1 114 TYR 4.15 2.29 1 115 ARG 3.27 1.89 1 116 ARG 3.09 1.84 1 117 SER 2.10 -0.06 1 118 GLN 0.37 -0.38 1 119 GLN -0.66 -1.45 1 stop_ save_