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 bmr15846_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 -2.62 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.83 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.15 _LACS_plot.Line_2_terminator_val_x_2 5.69 _LACS_plot.Line_2_terminator_val_y_2 3.96 _LACS_plot.Y_axis_chem_shift_offset -0.13 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 15 ILE 2.92 -1.83 0 69 HIS -5.37 1.50 0 10 GLU -3.44 -1.96 1 11 TYR -6.60 -1.54 1 12 TYR -4.60 -1.22 1 13 VAL -7.06 -4.07 1 14 GLN -4.03 -2.18 1 16 THR -0.12 -0.62 1 17 VAL -6.50 -3.33 1 18 ASP -0.45 0.57 1 20 LYS -1.54 -1.40 1 21 GLU -0.20 0.34 1 22 VAL -2.77 -1.17 1 23 HIS -1.16 0.50 1 24 SER -1.39 -0.61 1 25 LYS -0.55 0.06 1 26 ALA -1.54 -0.59 1 27 ASP 1.62 1.29 1 28 ASN 0.77 -0.05 1 30 GLN 0.59 0.51 1 31 LYS -0.09 0.22 1 32 TYR -2.87 -1.60 1 33 LYS -2.16 -0.69 1 34 ASP -4.29 -1.10 1 35 TYR -2.87 -0.72 1 36 GLU -3.54 -0.90 1 37 TYR -2.39 0.50 1 38 LYS -0.49 -0.07 1 39 LEU -6.72 -1.78 1 40 THR 2.10 1.40 1 42 PHE -6.59 -1.44 1 43 ASP -2.77 -2.21 1 44 LYS 3.92 2.53 1 45 ASP -0.86 0.30 1 47 LYS 1.80 1.00 1 48 GLU -4.01 -1.06 1 49 LYS -4.55 -1.40 1 50 GLU 0.38 0.35 1 51 LEU -4.13 -1.28 1 52 GLU -4.68 -2.08 1 53 PHE -1.68 -1.19 1 54 THR -3.67 -1.65 1 55 ALA -7.01 -1.93 1 56 GLN 1.34 1.12 1 57 LYS -4.11 -1.85 1 58 ASN 0.76 0.40 1 59 LEU -0.52 -0.55 1 60 ARG 0.31 0.70 1 61 LYS 4.07 2.53 1 62 GLU 4.42 2.56 1 63 ALA 0.35 0.57 1 64 PHE -2.89 -0.92 1 65 LEU -5.33 -2.17 1 66 ARG -3.02 -1.04 1 67 VAL -2.35 -1.29 1 68 TYR -0.50 -0.61 1 70 SER -4.16 -1.46 1 71 ASP 3.50 3.02 1 72 LYS 2.50 2.18 1 73 LYS -1.40 -0.59 1 75 VAL 2.01 1.35 1 76 SER -0.61 0.14 1 77 ALA -3.69 -0.56 1 78 TRP -4.60 -1.60 1 79 GLU -3.42 -1.66 1 80 GLU 0.63 0.59 1 81 VAL -5.92 -3.27 1 82 LYS -1.58 -0.99 1 83 LYS 4.06 3.17 1 84 ASP 2.19 1.48 1 85 GLU -1.05 -0.47 1 86 LEU -0.92 -0.50 1 88 ALA 5.01 4.41 1 89 LYS 3.59 2.45 1 90 VAL 5.69 3.67 1 91 LYS 5.54 4.83 1 92 GLU 2.49 2.43 1 93 LYS 3.13 0.77 1 94 LEU -0.73 -0.33 1 96 VAL 0.85 0.11 1 97 LYS -0.13 -0.03 1 98 LEU -0.12 -0.30 1 99 GLU -0.81 -0.25 1 100 HIS -0.09 1.05 1 101 HIS -0.16 2.29 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15846_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 4.44 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.17 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.85 _LACS_plot.Line_2_terminator_val_x_2 5.69 _LACS_plot.Line_2_terminator_val_y_2 -1.73 _LACS_plot.Y_axis_chem_shift_offset -0.13 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 15 ILE 2.92 -4.75 0 69 HIS -5.37 6.87 0 10 GLU -3.44 1.48 1 11 TYR -6.60 5.06 1 12 TYR -4.60 3.38 1 13 VAL -7.06 2.99 1 14 GLN -4.03 1.85 1 16 THR -0.12 -0.50 1 17 VAL -6.50 3.17 1 18 ASP -0.45 1.02 1 20 LYS -1.54 0.14 1 21 GLU -0.20 0.54 1 22 VAL -2.77 1.60 1 23 HIS -1.16 1.66 1 24 SER -1.39 0.78 1 25 LYS -0.55 0.61 1 26 ALA -1.54 0.95 1 27 ASP 1.62 -0.33 1 28 ASN 0.77 -0.82 1 30 GLN 0.59 -0.08 1 31 LYS -0.09 0.31 1 32 TYR -2.87 1.27 1 33 LYS -2.16 1.47 1 34 ASP -4.29 3.19 1 35 TYR -2.87 2.15 1 36 GLU -3.54 2.64 1 37 TYR -2.39 2.89 1 38 LYS -0.49 0.42 1 39 LEU -6.72 4.94 1 40 THR 2.10 -0.70 1 42 PHE -6.59 5.15 1 43 ASP -2.77 0.56 1 44 LYS 3.92 -1.39 1 45 ASP -0.86 1.16 1 47 LYS 1.80 -0.80 1 48 GLU -4.01 2.95 1 49 LYS -4.55 3.15 1 50 GLU 0.38 -0.03 1 51 LEU -4.13 2.85 1 52 GLU -4.68 2.60 1 53 PHE -1.68 0.49 1 54 THR -3.67 2.02 1 55 ALA -7.01 5.08 1 56 GLN 1.34 -0.22 1 57 LYS -4.11 2.26 1 58 ASN 0.76 -0.36 1 59 LEU -0.52 -0.03 1 60 ARG 0.31 0.39 1 61 LYS 4.07 -1.54 1 62 GLU 4.42 -1.86 1 63 ALA 0.35 0.22 1 64 PHE -2.89 1.97 1 65 LEU -5.33 3.16 1 66 ARG -3.02 1.98 1 67 VAL -2.35 1.06 1 68 TYR -0.50 -0.11 1 70 SER -4.16 2.70 1 71 ASP 3.50 -0.48 1 72 LYS 2.50 -0.32 1 73 LYS -1.40 0.81 1 75 VAL 2.01 -0.66 1 76 SER -0.61 0.75 1 77 ALA -3.69 3.13 1 78 TRP -4.60 3.00 1 79 GLU -3.42 1.76 1 80 GLU 0.63 -0.04 1 81 VAL -5.92 2.65 1 82 LYS -1.58 0.59 1 83 LYS 4.06 -0.89 1 84 ASP 2.19 -0.71 1 85 GLU -1.05 0.58 1 86 LEU -0.92 0.42 1 88 ALA 5.01 -0.60 1 89 LYS 3.59 -1.14 1 90 VAL 5.69 -2.02 1 91 LYS 5.54 -0.71 1 92 GLU 2.49 -0.06 1 93 LYS 3.13 -2.36 1 94 LEU -0.73 0.40 1 96 VAL 0.85 -0.74 1 97 LYS -0.13 0.10 1 98 LEU -0.12 -0.18 1 99 GLU -0.81 0.56 1 100 HIS -0.09 1.14 1 101 HIS -0.16 2.45 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15846_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 0.84 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.29 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.21 _LACS_plot.Line_2_terminator_val_x_2 5.69 _LACS_plot.Line_2_terminator_val_y_2 -0.76 _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 11 TYR -6.60 0.00 0 86 LEU -0.92 -0.97 0 10 GLU -3.44 0.22 1 12 TYR -4.60 1.18 1 13 VAL -7.06 0.93 1 14 GLN -4.03 0.75 1 15 ILE 2.92 -0.27 1 16 THR -0.12 0.19 1 17 VAL -6.50 0.54 1 18 ASP -0.45 0.37 1 20 LYS -1.54 0.05 1 21 GLU -0.20 -0.42 1 22 VAL -2.77 0.04 1 23 HIS -1.16 0.09 1 24 SER -1.39 0.01 1 25 LYS -0.55 0.24 1 26 ALA -1.54 0.15 1 27 ASP 1.62 -0.18 1 28 ASN 0.77 -0.12 1 30 GLN 0.59 -0.14 1 31 LYS -0.09 0.17 1 32 TYR -2.87 0.22 1 33 LYS -2.16 0.29 1 34 ASP -4.29 0.40 1 35 TYR -2.87 0.11 1 36 GLU -3.54 0.27 1 37 TYR -2.39 -0.46 1 38 LYS -0.49 0.76 1 39 LEU -6.72 0.53 1 40 THR 2.10 0.06 1 42 PHE -6.59 1.29 1 43 ASP -2.77 0.46 1 44 LYS 3.92 -0.40 1 45 ASP -0.86 0.29 1 47 LYS 1.80 0.00 1 48 GLU -4.01 0.56 1 49 LYS -4.55 -0.24 1 50 GLU 0.38 -0.05 1 51 LEU -4.13 0.18 1 52 GLU -4.68 1.07 1 53 PHE -1.68 0.51 1 54 THR -3.67 1.18 1 55 ALA -7.01 1.03 1 56 GLN 1.34 0.69 1 57 LYS -4.11 0.04 1 58 ASN 0.76 -0.74 1 59 LEU -0.52 -0.39 1 60 ARG 0.31 -0.47 1 61 LYS 4.07 -0.64 1 62 GLU 4.42 -1.01 1 63 ALA 0.35 -0.30 1 64 PHE -2.89 0.85 1 65 LEU -5.33 1.05 1 66 ARG -3.02 0.00 1 67 VAL -2.35 0.28 1 68 TYR -0.50 0.52 1 69 HIS -5.37 0.47 1 70 SER -4.16 0.33 1 71 ASP 3.50 -0.25 1 72 LYS 2.50 -0.20 1 73 LYS -1.40 0.13 1 75 VAL 2.01 0.52 1 76 SER -0.61 0.17 1 77 ALA -3.69 0.10 1 78 TRP -4.60 1.03 1 79 GLU -3.42 0.38 1 80 GLU 0.63 0.68 1 81 VAL -5.92 0.66 1 82 LYS -1.58 0.26 1 83 LYS 4.06 -1.14 1 84 ASP 2.19 -0.42 1 85 GLU -1.05 -0.21 1 88 ALA 5.01 -0.54 1 89 LYS 3.59 -0.33 1 90 VAL 5.69 -0.89 1 91 LYS 5.54 -0.89 1 92 GLU 2.49 -0.36 1 93 LYS 3.13 -0.52 1 94 LEU -0.73 0.02 1 96 VAL 0.85 -0.18 1 97 LYS -0.13 -0.11 1 98 LEU -0.12 -0.10 1 99 GLU -0.81 -0.18 1 100 HIS -0.09 -0.16 1 101 HIS -0.16 -0.32 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15846_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 -2.20 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.22 _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 5.69 _LACS_plot.Line_2_terminator_val_y_2 1.42 _LACS_plot.Y_axis_chem_shift_offset 0.33 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 42 PHE -6.59 0.87 0 10 GLU -3.44 -2.52 1 11 TYR -6.60 -2.42 1 12 TYR -4.60 -0.20 1 13 VAL -7.06 -1.48 1 14 GLN -4.03 -1.00 1 15 ILE 2.92 0.69 1 16 THR -0.12 -1.05 1 17 VAL -6.50 -1.17 1 18 ASP -0.45 1.05 1 20 LYS -1.54 -0.89 1 21 GLU -0.20 -0.64 1 22 VAL -2.77 -1.09 1 23 HIS -1.16 0.94 1 24 SER -1.39 -0.74 1 25 LYS -0.55 -0.44 1 26 ALA -1.54 0.15 1 27 ASP 1.62 0.18 1 28 ASN 0.77 1.11 1 30 GLN 0.59 -1.67 1 31 LYS -0.09 -0.55 1 32 TYR -2.87 -0.34 1 33 LYS -2.16 -2.52 1 34 ASP -4.29 -2.56 1 35 TYR -2.87 -1.45 1 36 GLU -3.54 -0.75 1 37 TYR -2.39 -1.76 1 38 LYS -0.49 -1.62 1 39 LEU -6.72 -2.48 1 40 THR 2.10 -1.34 1 43 ASP -2.77 1.49 1 44 LYS 3.92 -1.15 1 45 ASP -0.86 0.41 1 47 LYS 1.80 -0.42 1 48 GLU -4.01 -0.06 1 49 LYS -4.55 -2.73 1 50 GLU 0.38 -1.51 1 51 LEU -4.13 -2.71 1 52 GLU -4.68 -1.71 1 53 PHE -1.68 -3.14 1 54 THR -3.67 -1.23 1 55 ALA -7.01 -1.08 1 56 GLN 1.34 -1.04 1 57 LYS -4.11 -4.11 1 58 ASN 0.76 0.29 1 59 LEU -0.52 -1.19 1 60 ARG 0.31 -0.95 1 61 LYS 4.07 0.69 1 62 GLU 4.42 -0.43 1 63 ALA 0.35 -2.27 1 64 PHE -2.89 -0.32 1 65 LEU -5.33 -1.57 1 66 ARG -3.02 -2.08 1 67 VAL -2.35 -2.23 1 68 TYR -0.50 -0.51 1 69 HIS -5.37 -0.50 1 70 SER -4.16 -0.81 1 71 ASP 3.50 1.73 1 72 LYS 2.50 0.96 1 73 LYS -1.40 0.15 1 75 VAL 2.01 0.70 1 76 SER -0.61 -0.35 1 77 ALA -3.69 -3.37 1 78 TRP -4.60 -1.65 1 79 GLU -3.42 -2.47 1 80 GLU 0.63 -0.02 1 81 VAL -5.92 -1.84 1 82 LYS -1.58 1.78 1 83 LYS 4.06 1.09 1 84 ASP 2.19 0.80 1 85 GLU -1.05 -0.33 1 88 ALA 5.01 2.72 1 89 LYS 3.59 2.47 1 90 VAL 5.69 0.80 1 91 LYS 5.54 1.82 1 92 GLU 2.49 2.78 1 93 LYS 3.13 1.71 1 94 LEU -0.73 -0.25 1 96 VAL 0.85 -0.76 1 97 LYS -0.13 -0.31 1 98 LEU -0.12 -0.67 1 99 GLU -0.81 -0.57 1 100 HIS -0.09 -0.22 1 stop_ save_