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 bmr18317_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.54 _LACS_plot.Line_1_terminator_val_y_1 -2.84 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.34 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.77 _LACS_plot.Line_2_terminator_val_x_2 5.47 _LACS_plot.Line_2_terminator_val_y_2 3.92 _LACS_plot.Y_axis_chem_shift_offset -0.48 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 40 HIS 4.19 5.23 0 10 VAL 0.49 0.42 1 12 MET -0.12 0.17 1 13 VAL 0.62 0.47 1 15 ASP -0.27 0.08 1 16 VAL 1.08 0.45 1 17 ARG -0.25 0.09 1 18 ASP 0.15 0.30 1 19 ALA 0.12 0.09 1 21 ALA 0.05 0.27 1 23 HIS 0.57 1.89 1 24 GLU 2.72 1.73 1 25 ASN -0.62 -0.05 1 26 ASP 0.03 0.06 1 27 LEU 4.10 3.22 1 28 GLU 3.47 2.87 1 29 ALA 3.10 2.62 1 30 ILE 5.30 4.80 1 31 GLU 3.54 2.70 1 32 LEU 2.10 2.51 1 33 ALA 2.72 2.50 1 34 ARG 5.48 4.43 1 35 PHE 4.71 2.67 1 36 ALA 3.79 2.85 1 37 VAL 5.27 4.30 1 38 ALA 3.89 2.95 1 39 GLU 1.81 1.83 1 41 ASN 4.02 2.58 1 42 SER 3.70 2.79 1 43 LYS 1.06 1.77 1 44 THR -1.61 0.02 1 45 ASN 2.79 1.31 1 46 ALA -0.19 0.75 1 47 MET 1.62 -0.44 1 48 LEU -1.31 -0.43 1 49 GLU -4.74 -2.06 1 50 PHE 3.07 3.12 1 51 GLU -0.84 1.31 1 52 ARG -3.08 -0.36 1 53 LEU -1.14 -0.38 1 54 VAL 1.64 1.86 1 55 LYS -3.55 -0.10 1 56 VAL -4.07 -1.66 1 57 ARG -4.26 -1.02 1 58 HIS -3.42 -0.68 1 59 GLN -3.92 -1.26 1 60 VAL 2.66 1.69 1 61 VAL -1.73 -0.46 1 62 ALA -3.78 -1.04 1 64 THR -2.14 -0.24 1 65 MET -2.46 -2.39 1 66 HIS -3.55 0.12 1 67 HIS -3.54 -0.45 1 68 PHE -5.64 -2.74 1 69 THR 2.07 0.88 1 70 VAL -5.02 -2.61 1 71 GLN -3.14 -1.19 1 72 VAL -6.03 -4.19 1 73 LYS -2.88 -1.24 1 74 GLU -3.13 -1.27 1 75 ALA 3.44 2.36 1 79 LYS -2.67 -1.32 1 80 LYS -6.71 -1.61 1 81 LEU -3.35 -1.59 1 82 TYR -5.97 -1.57 1 83 GLU -4.01 -2.19 1 84 ALA -7.54 -2.97 1 85 LYS -2.91 -0.81 1 86 VAL -4.43 -1.07 1 87 TRP -6.22 -2.45 1 88 GLU -5.48 -2.43 1 90 VAL 4.41 3.39 1 91 TRP 3.31 1.66 1 92 GLU -3.33 -1.75 1 93 ASN 2.37 0.73 1 94 PHE -3.65 -0.70 1 95 LYS -3.55 -1.46 1 96 GLN -5.90 -1.00 1 97 LEU 0.34 1.14 1 98 GLN -0.24 0.93 1 99 SER -0.64 0.01 1 100 PHE -0.71 1.50 1 101 GLN -5.03 -0.79 1 103 VAL -0.23 -0.01 1 105 ASP -0.13 0.47 1 106 ALA -0.21 1.08 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18317_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.54 _LACS_plot.Line_1_terminator_val_y_1 4.70 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.66 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 1.23 _LACS_plot.Line_2_terminator_val_x_2 5.47 _LACS_plot.Line_2_terminator_val_y_2 -1.55 _LACS_plot.Y_axis_chem_shift_offset -0.48 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 40 HIS 4.19 1.04 0 10 VAL 0.49 -0.07 1 12 MET -0.12 0.29 1 13 VAL 0.62 -0.15 1 15 ASP -0.27 0.35 1 16 VAL 1.08 -0.63 1 17 ARG -0.25 0.34 1 18 ASP 0.15 0.15 1 19 ALA 0.12 -0.03 1 21 ALA 0.05 0.22 1 23 HIS 0.57 1.32 1 24 GLU 2.72 -0.99 1 25 ASN -0.62 0.57 1 26 ASP 0.03 0.03 1 27 LEU 4.10 -0.88 1 28 GLU 3.47 -0.60 1 29 ALA 3.10 -0.48 1 30 ILE 5.30 -0.50 1 31 GLU 3.54 -0.84 1 32 LEU 2.10 0.41 1 33 ALA 2.72 -0.22 1 34 ARG 5.48 -1.05 1 35 PHE 4.71 -2.04 1 36 ALA 3.79 -0.94 1 37 VAL 5.27 -0.97 1 38 ALA 3.89 -0.94 1 39 GLU 1.81 0.02 1 41 ASN 4.02 -1.44 1 42 SER 3.70 -0.91 1 43 LYS 1.06 0.71 1 44 THR -1.61 1.63 1 45 ASN 2.79 -1.48 1 46 ALA -0.19 0.94 1 47 MET 1.62 -2.06 1 48 LEU -1.31 0.88 1 49 GLU -4.74 2.68 1 50 PHE 3.07 0.05 1 51 GLU -0.84 2.15 1 52 ARG -3.08 2.72 1 53 LEU -1.14 0.76 1 54 VAL 1.64 0.22 1 55 LYS -3.55 3.45 1 56 VAL -4.07 2.41 1 57 ARG -4.26 3.24 1 58 HIS -3.42 2.74 1 59 GLN -3.92 2.66 1 60 VAL 2.66 -0.97 1 61 VAL -1.73 1.27 1 62 ALA -3.78 2.74 1 64 THR -2.14 1.90 1 65 MET -2.46 0.07 1 66 HIS -3.55 3.67 1 67 HIS -3.54 3.09 1 68 PHE -5.64 2.90 1 69 THR 2.07 -1.19 1 70 VAL -5.02 2.41 1 71 GLN -3.14 1.95 1 72 VAL -6.03 1.84 1 73 LYS -2.88 1.64 1 74 GLU -3.13 1.86 1 75 ALA 3.44 -1.08 1 79 LYS -2.67 1.35 1 80 LYS -6.71 5.10 1 81 LEU -3.35 1.76 1 82 TYR -5.97 4.40 1 83 GLU -4.01 1.82 1 84 ALA -7.54 4.57 1 85 LYS -2.91 2.10 1 86 VAL -4.43 3.36 1 87 TRP -6.22 3.77 1 88 GLU -5.48 3.05 1 90 VAL 4.41 -1.02 1 91 TRP 3.31 -1.65 1 92 GLU -3.33 1.58 1 93 ASN 2.37 -1.64 1 94 PHE -3.65 2.95 1 95 LYS -3.55 2.09 1 96 GLN -5.90 4.90 1 97 LEU 0.34 0.80 1 98 GLN -0.24 1.17 1 99 SER -0.64 0.65 1 100 PHE -0.71 2.21 1 101 GLN -5.03 4.24 1 103 VAL -0.23 0.22 1 105 ASP -0.13 0.60 1 106 ALA -0.21 1.29 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18317_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.54 _LACS_plot.Line_1_terminator_val_y_1 1.24 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.16 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.46 _LACS_plot.Line_2_terminator_val_x_2 5.47 _LACS_plot.Line_2_terminator_val_y_2 -0.69 _LACS_plot.Y_axis_chem_shift_offset -0.14 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 69 THR 2.07 1.01 0 10 VAL 0.49 0.08 1 12 MET -0.12 0.11 1 13 VAL 0.62 0.10 1 15 ASP -0.27 0.09 1 16 VAL 1.08 0.01 1 17 ARG -0.25 0.18 1 18 ASP 0.15 0.02 1 19 ALA 0.12 0.00 1 21 ALA 0.05 0.13 1 23 HIS 0.57 -0.12 1 24 GLU 2.72 -0.16 1 25 ASN -0.62 0.22 1 26 ASP 0.03 -0.05 1 27 LEU 4.10 -0.26 1 28 GLU 3.47 -0.26 1 29 ALA 3.10 -0.60 1 30 ILE 5.30 -0.81 1 31 GLU 3.54 -0.40 1 32 LEU 2.10 -0.16 1 33 ALA 2.72 -0.61 1 34 ARG 5.48 -0.89 1 35 PHE 4.71 -0.22 1 36 ALA 3.79 -0.65 1 37 VAL 5.27 -1.02 1 38 ALA 3.89 -0.64 1 39 GLU 1.81 -0.36 1 40 HIS 4.19 -0.74 1 41 ASN 4.02 -0.47 1 43 LYS 1.06 0.02 1 44 THR -1.61 0.18 1 45 ASN 2.79 -0.09 1 46 ALA -0.19 -0.07 1 47 MET 1.62 -0.33 1 48 LEU -1.31 0.30 1 49 GLU -4.74 0.47 1 50 PHE 3.07 -0.58 1 51 GLU -0.84 0.19 1 52 ARG -3.08 0.02 1 53 LEU -1.14 0.37 1 54 VAL 1.64 0.01 1 55 LYS -3.55 0.52 1 56 VAL -4.07 1.09 1 57 ARG -4.26 0.70 1 58 HIS -3.42 0.65 1 60 VAL 2.66 0.32 1 61 VAL -1.73 0.48 1 62 ALA -3.78 1.02 1 64 THR -2.14 0.69 1 65 MET -2.46 1.06 1 66 HIS -3.55 1.10 1 67 HIS -3.54 0.46 1 68 PHE -5.64 1.20 1 70 VAL -5.02 0.88 1 71 GLN -3.14 1.05 1 72 VAL -6.03 1.19 1 73 LYS -2.88 0.81 1 74 GLU -3.13 0.27 1 75 ALA 3.44 -0.04 1 79 LYS -2.67 1.16 1 80 LYS -6.71 0.50 1 81 LEU -3.35 1.23 1 82 TYR -5.97 0.45 1 83 GLU -4.01 0.84 1 84 ALA -7.54 1.26 1 85 LYS -2.91 1.32 1 86 VAL -4.43 0.88 1 87 TRP -6.22 0.35 1 88 GLU -5.48 1.01 1 90 VAL 4.41 -0.24 1 91 TRP 3.31 0.06 1 92 GLU -3.33 1.02 1 93 ASN 2.37 -0.29 1 94 PHE -3.65 0.18 1 95 LYS -3.55 0.75 1 96 GLN -5.90 0.42 1 97 LEU 0.34 0.44 1 98 GLN -0.24 0.37 1 100 PHE -0.71 0.53 1 101 GLN -5.03 0.68 1 103 VAL -0.23 0.09 1 105 ASP -0.13 0.10 1 106 ALA -0.21 -0.13 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18317_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.54 _LACS_plot.Line_1_terminator_val_y_1 -2.54 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.58 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.74 _LACS_plot.Line_2_terminator_val_x_2 5.47 _LACS_plot.Line_2_terminator_val_y_2 1.74 _LACS_plot.Y_axis_chem_shift_offset 0.08 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 40 HIS 4.19 5.64 0 10 VAL 0.49 0.37 1 12 MET -0.12 0.14 1 13 VAL 0.62 0.26 1 15 ASP -0.27 0.17 1 16 VAL 1.08 -0.04 1 17 ARG -0.25 -0.21 1 18 ASP 0.15 -0.70 1 21 ALA 0.05 0.72 1 23 HIS 0.57 1.60 1 24 GLU 2.72 -0.80 1 25 ASN -0.62 -0.11 1 26 ASP 0.03 0.25 1 27 LEU 4.10 2.04 1 28 GLU 3.47 2.42 1 29 ALA 3.10 1.17 1 30 ILE 5.30 1.38 1 31 GLU 3.54 3.70 1 32 LEU 2.10 0.59 1 33 ALA 2.72 1.39 1 34 ARG 5.48 3.70 1 35 PHE 4.71 0.03 1 36 ALA 3.79 0.24 1 37 VAL 5.27 0.42 1 38 ALA 3.89 3.51 1 39 GLU 1.81 2.63 1 41 ASN 4.02 3.66 1 42 SER 3.70 1.71 1 43 LYS 1.06 1.82 1 44 THR -1.61 0.65 1 45 ASN 2.79 -0.22 1 46 ALA -0.19 -1.24 1 47 MET 1.62 -0.71 1 48 LEU -1.31 0.61 1 49 GLU -4.74 -0.30 1 50 PHE 3.07 -1.95 1 51 GLU -0.84 -1.74 1 52 ARG -3.08 -2.64 1 53 LEU -1.14 -2.59 1 54 VAL 1.64 -0.52 1 55 LYS -3.55 -2.37 1 56 VAL -4.07 -3.03 1 57 ARG -4.26 -2.15 1 58 HIS -3.42 -0.11 1 59 GLN -3.92 -1.76 1 60 VAL 2.66 0.13 1 61 VAL -1.73 -2.35 1 62 ALA -3.78 -1.33 1 64 THR -2.14 -2.41 1 65 MET -2.46 -1.71 1 66 HIS -3.55 0.37 1 67 HIS -3.54 1.19 1 68 PHE -5.64 -0.10 1 69 THR 2.07 -0.48 1 70 VAL -5.02 -3.52 1 71 GLN -3.14 -0.59 1 72 VAL -6.03 -2.51 1 73 LYS -2.88 0.49 1 74 GLU -3.13 0.95 1 75 ALA 3.44 1.99 1 79 LYS -2.67 0.44 1 80 LYS -6.71 -2.01 1 81 LEU -3.35 -1.15 1 82 TYR -5.97 -1.53 1 83 GLU -4.01 -0.78 1 84 ALA -7.54 -1.81 1 85 LYS -2.91 -0.49 1 86 VAL -4.43 -3.01 1 87 TRP -6.22 -2.30 1 88 GLU -5.48 -2.03 1 90 VAL 4.41 1.77 1 91 TRP 3.31 -0.25 1 92 GLU -3.33 -1.27 1 93 ASN 2.37 -1.54 1 94 PHE -3.65 -1.78 1 95 LYS -3.55 -2.26 1 96 GLN -5.90 -0.42 1 97 LEU 0.34 -1.89 1 98 GLN -0.24 -0.04 1 99 SER -0.64 -1.59 1 100 PHE -0.71 -1.75 1 103 VAL -0.23 -0.09 1 105 ASP -0.13 -1.27 1 stop_ save_