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 bmr18443_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.63 _LACS_plot.Line_1_terminator_val_y_1 -2.91 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.12 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.71 _LACS_plot.Line_2_terminator_val_x_2 5.64 _LACS_plot.Line_2_terminator_val_y_2 4.34 _LACS_plot.Y_axis_chem_shift_offset -0.45 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 25 TYR -5.54 -4.82 0 27 HIS -7.63 -1.54 0 75 ARG 5.23 0.84 0 10 GLU 2.02 2.43 1 11 ALA 2.07 2.02 1 12 LEU 5.37 3.42 1 13 ALA 3.77 2.83 1 14 LEU 2.20 2.59 1 15 ALA 3.21 3.75 1 16 GLN 3.97 3.45 1 17 ALA 2.96 2.12 1 18 HIS -1.67 0.54 1 20 ARG -4.86 -1.49 1 21 MET -2.11 0.71 1 22 VAL -4.53 -1.77 1 23 MET -5.24 -1.22 1 24 VAL 0.63 -0.45 1 26 PHE -0.28 -0.26 1 28 SER -3.71 -2.04 1 29 GLU 2.33 2.07 1 30 HIS -0.98 -0.61 1 33 TYR 3.44 2.98 1 35 GLN 5.49 3.67 1 36 GLN 4.72 3.93 1 37 MET 4.75 1.83 1 38 ASN 4.73 3.34 1 39 THR 4.25 4.04 1 40 PHE 0.74 2.02 1 41 VAL 2.90 3.64 1 42 LEU 3.48 2.20 1 43 SER -1.48 -1.16 1 44 ASP -2.30 0.47 1 47 VAL 4.78 4.30 1 48 SER 5.40 4.48 1 49 ARG 4.21 3.56 1 50 LEU 3.67 3.11 1 51 LEU 3.25 3.24 1 52 GLU 2.09 2.39 1 53 ALA 0.94 2.06 1 54 ARG -3.41 -0.97 1 55 PHE -4.55 -0.87 1 56 VAL -0.86 0.75 1 57 VAL -0.85 -0.81 1 58 ALA -6.35 -3.74 1 59 SER -2.10 -2.17 1 60 VAL -1.12 -0.68 1 61 SER -2.18 -2.90 1 62 VAL 3.61 0.58 1 63 ASP 0.61 0.73 1 64 THR -2.15 -1.62 1 66 GLU 4.37 3.34 1 68 GLN 4.96 3.49 1 69 GLU 3.86 2.89 1 70 LEU 2.76 3.09 1 71 ALA 4.22 2.54 1 72 ARG 4.12 3.52 1 73 ARG 4.25 3.54 1 74 TYR 1.42 1.88 1 76 VAL 1.65 0.96 1 79 THR -2.73 -1.84 1 81 THR -0.30 1.74 1 82 PHE -3.61 -1.93 1 83 VAL -2.38 -0.17 1 84 PHE -2.66 -0.45 1 85 LEU -7.53 -1.73 1 86 VAL -5.13 -2.24 1 88 LYS -2.15 -0.55 1 89 ALA 2.41 0.69 1 91 ALA -3.59 -2.04 1 92 TRP -3.72 -0.65 1 93 GLU -5.11 -1.82 1 94 GLU -0.18 0.00 1 95 VAL -1.23 -0.86 1 97 ARG -3.78 -0.37 1 98 LEU -5.27 -1.13 1 99 PHE -3.58 -1.95 1 101 SER -0.52 -0.01 1 102 ARG -2.42 -1.18 1 104 ARG 5.65 4.91 1 105 ALA 4.04 3.24 1 106 GLU 1.86 2.19 1 107 PHE 3.56 4.04 1 108 LEU 3.63 3.38 1 109 LYS 4.81 3.98 1 110 GLU 3.65 2.52 1 111 LEU 2.00 2.33 1 112 ARG 5.34 4.32 1 113 GLN 4.06 3.13 1 114 VAL 5.52 3.86 1 116 VAL 4.23 3.24 1 117 LYS 2.73 2.35 1 120 ALA 0.32 0.32 1 123 GLU -0.33 0.23 1 125 HIS -0.10 0.97 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18443_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.63 _LACS_plot.Line_1_terminator_val_y_1 4.72 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.88 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 1.29 _LACS_plot.Line_2_terminator_val_x_2 5.64 _LACS_plot.Line_2_terminator_val_y_2 -1.30 _LACS_plot.Y_axis_chem_shift_offset -0.45 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 25 TYR -5.54 0.72 0 27 HIS -7.63 6.09 0 75 ARG 5.23 -4.39 0 10 GLU 2.02 0.41 1 11 ALA 2.07 -0.05 1 12 LEU 5.37 -1.95 1 13 ALA 3.77 -0.94 1 14 LEU 2.20 0.39 1 15 ALA 3.21 0.54 1 16 GLN 3.97 -0.52 1 17 ALA 2.96 -0.84 1 18 HIS -1.67 2.21 1 20 ARG -4.86 3.37 1 21 MET -2.11 2.82 1 22 VAL -4.53 2.76 1 23 MET -5.24 4.02 1 24 VAL 0.63 -1.08 1 26 PHE -0.28 0.02 1 28 SER -3.71 1.67 1 29 GLU 2.33 -0.26 1 30 HIS -0.98 0.37 1 33 TYR 3.44 -0.46 1 35 GLN 5.49 -1.82 1 36 GLN 4.72 -0.79 1 37 MET 4.75 -2.92 1 38 ASN 4.73 -1.39 1 39 THR 4.25 -0.21 1 40 PHE 0.74 1.28 1 41 VAL 2.90 0.74 1 42 LEU 3.48 -1.28 1 43 SER -1.48 0.32 1 44 ASP -2.30 2.77 1 47 VAL 4.78 -0.48 1 48 SER 5.40 -0.92 1 49 ARG 4.21 -0.65 1 50 LEU 3.67 -0.56 1 51 LEU 3.25 -0.01 1 52 GLU 2.09 0.30 1 53 ALA 0.94 1.12 1 54 ARG -3.41 2.44 1 55 PHE -4.55 3.68 1 56 VAL -0.86 1.61 1 57 VAL -0.85 0.04 1 58 ALA -6.35 2.61 1 59 SER -2.10 -0.07 1 60 VAL -1.12 0.44 1 61 SER -2.18 -0.72 1 62 VAL 3.61 -3.03 1 63 ASP 0.61 0.12 1 64 THR -2.15 0.53 1 66 GLU 4.37 -1.03 1 68 GLN 4.96 -1.47 1 69 GLU 3.86 -0.97 1 70 LEU 2.76 0.33 1 71 ALA 4.22 -1.68 1 72 ARG 4.12 -0.60 1 73 ARG 4.25 -0.71 1 74 TYR 1.42 0.46 1 76 VAL 1.65 -0.69 1 79 THR -2.73 0.89 1 81 THR -0.30 2.04 1 82 PHE -3.61 1.68 1 83 VAL -2.38 2.21 1 84 PHE -2.66 2.21 1 85 LEU -7.53 5.80 1 86 VAL -5.13 2.89 1 88 LYS -2.15 1.60 1 89 ALA 2.41 -1.72 1 91 ALA -3.59 1.55 1 92 TRP -3.72 3.07 1 93 GLU -5.11 3.29 1 94 GLU -0.18 0.18 1 95 VAL -1.23 0.37 1 97 ARG -3.78 3.41 1 98 LEU -5.27 4.14 1 99 PHE -3.58 1.63 1 101 SER -0.52 0.51 1 102 ARG -2.42 1.24 1 104 ARG 5.65 -0.74 1 105 ALA 4.04 -0.80 1 106 GLU 1.86 0.33 1 107 PHE 3.56 0.48 1 108 LEU 3.63 -0.25 1 109 LYS 4.81 -0.83 1 110 GLU 3.65 -1.13 1 111 LEU 2.00 0.33 1 112 ARG 5.34 -1.02 1 113 GLN 4.06 -0.93 1 114 VAL 5.52 -1.66 1 116 VAL 4.23 -0.99 1 117 LYS 2.73 -0.38 1 120 ALA 0.32 0.00 1 123 GLU -0.33 0.56 1 125 HIS -0.10 1.07 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18443_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.63 _LACS_plot.Line_1_terminator_val_y_1 0.87 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.11 _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 5.64 _LACS_plot.Line_2_terminator_val_y_2 -0.46 _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 97 ARG -3.78 1.34 0 81 THR -0.30 1.07 0 85 LEU -7.53 1.55 0 27 HIS -7.63 0.43 0 10 GLU 2.02 -0.30 1 11 ALA 2.07 -0.70 1 12 LEU 5.37 -0.89 1 13 ALA 3.77 -0.15 1 14 LEU 2.20 -0.25 1 15 ALA 3.21 -0.45 1 16 GLN 3.97 -0.37 1 17 ALA 2.96 -0.20 1 18 HIS -1.67 0.08 1 20 ARG -4.86 0.27 1 21 MET -2.11 0.39 1 22 VAL -4.53 1.19 1 23 MET -5.24 0.40 1 24 VAL 0.63 0.22 1 25 TYR -5.54 0.68 1 26 PHE -0.28 0.47 1 28 SER -3.71 0.32 1 29 GLU 2.33 -0.25 1 30 HIS -0.98 -0.04 1 33 TYR 3.44 -0.05 1 35 GLN 5.49 -0.28 1 36 GLN 4.72 -0.09 1 37 MET 4.75 0.01 1 38 ASN 4.73 -0.38 1 39 THR 4.25 -0.50 1 40 PHE 0.74 0.20 1 41 VAL 2.90 0.19 1 42 LEU 3.48 -0.39 1 43 SER -1.48 -0.06 1 44 ASP -2.30 -0.12 1 47 VAL 4.78 -0.52 1 48 SER 5.40 -0.42 1 49 ARG 4.21 -0.18 1 50 LEU 3.67 0.04 1 51 LEU 3.25 -0.05 1 52 GLU 2.09 -0.18 1 53 ALA 0.94 0.11 1 54 ARG -3.41 0.32 1 55 PHE -4.55 1.04 1 56 VAL -0.86 0.21 1 57 VAL -0.85 0.86 1 58 ALA -6.35 1.30 1 59 SER -2.10 0.22 1 60 VAL -1.12 -0.19 1 61 SER -2.18 -0.26 1 62 VAL 3.61 -0.08 1 63 ASP 0.61 0.08 1 64 THR -2.15 0.35 1 66 GLU 4.37 -0.19 1 68 GLN 4.96 -0.33 1 69 GLU 3.86 -0.18 1 70 LEU 2.76 -0.22 1 71 ALA 4.22 -0.75 1 72 ARG 4.12 -0.22 1 73 ARG 4.25 -0.38 1 74 TYR 1.42 -0.15 1 75 ARG 5.23 -0.47 1 76 VAL 1.65 -0.65 1 79 THR -2.73 0.28 1 82 PHE -3.61 1.02 1 83 VAL -2.38 0.42 1 84 PHE -2.66 1.19 1 86 VAL -5.13 0.78 1 88 LYS -2.15 -0.04 1 89 ALA 2.41 -0.35 1 91 ALA -3.59 0.26 1 92 TRP -3.72 0.48 1 93 GLU -5.11 0.51 1 94 GLU -0.18 0.85 1 95 VAL -1.23 0.57 1 98 LEU -5.27 0.58 1 99 PHE -3.58 1.03 1 101 SER -0.52 0.15 1 102 ARG -2.42 0.28 1 104 ARG 5.65 -0.41 1 105 ALA 4.04 -0.21 1 106 GLU 1.86 -0.22 1 107 PHE 3.56 -0.44 1 108 LEU 3.63 -0.51 1 109 LYS 4.81 -0.42 1 110 GLU 3.65 -0.39 1 111 LEU 2.00 -0.81 1 112 ARG 5.34 -0.44 1 113 GLN 4.06 -0.25 1 114 VAL 5.52 -0.47 1 116 VAL 4.23 -0.27 1 117 LYS 2.73 -0.14 1 120 ALA 0.32 0.09 1 123 GLU -0.33 -0.04 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18443_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.63 _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 1.24 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.49 _LACS_plot.Line_2_terminator_val_x_2 5.64 _LACS_plot.Line_2_terminator_val_y_2 2.80 _LACS_plot.Y_axis_chem_shift_offset -0.42 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 61 SER -2.18 3.91 0 10 GLU 2.02 1.69 1 11 ALA 2.07 1.09 1 12 LEU 5.37 1.73 1 13 ALA 3.77 3.83 1 14 LEU 2.20 2.03 1 15 ALA 3.21 3.04 1 16 GLN 3.97 2.70 1 17 ALA 2.96 1.51 1 18 HIS -1.67 0.92 1 20 ARG -4.86 -1.71 1 21 MET -2.11 -0.59 1 22 VAL -4.53 0.21 1 23 MET -5.24 -2.34 1 24 VAL 0.63 -2.05 1 25 TYR -5.54 -2.51 1 26 PHE -0.28 -1.65 1 27 HIS -7.63 -1.06 1 28 SER -3.71 2.21 1 29 GLU 2.33 0.38 1 30 HIS -0.98 -0.42 1 33 TYR 3.44 3.56 1 36 GLN 4.72 2.88 1 37 MET 4.75 3.54 1 38 ASN 4.73 2.15 1 39 THR 4.25 1.58 1 40 PHE 0.74 0.45 1 41 VAL 2.90 0.40 1 42 LEU 3.48 -1.76 1 43 SER -1.48 0.80 1 44 ASP -2.30 0.64 1 47 VAL 4.78 1.59 1 48 SER 5.40 2.29 1 49 ARG 4.21 3.10 1 50 LEU 3.67 1.88 1 51 LEU 3.25 1.63 1 52 GLU 2.09 2.30 1 53 ALA 0.94 2.50 1 54 ARG -3.41 -0.74 1 56 VAL -0.86 -0.99 1 57 VAL -0.85 -1.77 1 58 ALA -6.35 -1.85 1 59 SER -2.10 -0.51 1 60 VAL -1.12 -3.30 1 62 VAL 3.61 -1.87 1 63 ASP 0.61 -0.37 1 64 THR -2.15 -0.19 1 66 GLU 4.37 3.34 1 68 GLN 4.96 3.37 1 69 GLU 3.86 2.76 1 70 LEU 2.76 1.36 1 71 ALA 4.22 2.17 1 72 ARG 4.12 4.61 1 73 ARG 4.25 2.26 1 74 TYR 1.42 -1.58 1 75 ARG 5.23 -0.42 1 76 VAL 1.65 1.47 1 81 THR -0.30 -2.74 1 82 PHE -3.61 -1.06 1 83 VAL -2.38 -2.14 1 84 PHE -2.66 -0.32 1 85 LEU -7.53 -1.07 1 88 LYS -2.15 -0.86 1 89 ALA 2.41 -0.85 1 91 ALA -3.59 -1.86 1 92 TRP -3.72 -0.14 1 93 GLU -5.11 -1.09 1 94 GLU -0.18 1.00 1 95 VAL -1.23 -0.58 1 97 ARG -3.78 -1.90 1 98 LEU -5.27 -2.73 1 101 SER -0.52 0.47 1 104 ARG 5.65 1.07 1 105 ALA 4.04 3.26 1 106 GLU 1.86 1.44 1 107 PHE 3.56 1.44 1 108 LEU 3.63 0.81 1 109 LYS 4.81 3.10 1 110 GLU 3.65 3.30 1 111 LEU 2.00 2.19 1 112 ARG 5.34 3.15 1 113 GLN 4.06 3.14 1 114 VAL 5.52 1.55 1 116 VAL 4.23 2.54 1 117 LYS 2.73 2.09 1 120 ALA 0.32 0.34 1 123 GLU -0.33 0.70 1 stop_ save_