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 bmr30092_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.63 _LACS_plot.Line_1_terminator_val_y_1 -3.25 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.98 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.55 _LACS_plot.Line_2_terminator_val_x_2 7.13 _LACS_plot.Line_2_terminator_val_y_2 5.61 _LACS_plot.Y_axis_chem_shift_offset -0.01 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 89 ASP 0.83 3.63 0 90 ARG -5.09 -0.79 0 53 PHE 0.29 -2.36 0 10 ASP -1.57 -0.58 1 11 GLU 3.59 3.41 1 12 ALA 4.33 3.10 1 13 THR 5.77 4.21 1 14 SER 7.13 4.15 1 15 THR 5.99 4.64 1 16 LEU 3.71 2.92 1 17 ILE 6.27 5.10 1 19 SER 4.71 3.53 1 20 ILE 3.71 4.17 1 21 LEU 3.21 2.51 1 22 THR 5.63 4.46 1 23 THR 5.86 4.65 1 24 ALA -1.25 -0.27 1 26 TYR 0.25 0.24 1 27 GLN -1.38 -0.78 1 28 VAL -2.45 -1.87 1 29 ILE -2.30 -0.86 1 30 TRP -3.46 -3.32 1 31 LEU -4.69 -2.04 1 32 VAL -0.29 -1.31 1 33 ASP -3.90 -1.70 1 35 GLU -0.30 0.00 1 36 VAL 6.23 5.00 1 37 GLU 4.49 2.97 1 38 ARG 3.37 2.59 1 39 LEU 3.73 3.61 1 40 LEU 3.17 1.77 1 41 ALA 2.78 1.68 1 42 LEU 0.00 -0.26 1 43 THR 1.28 0.86 1 45 ILE 1.04 0.78 1 46 ALA -5.32 -1.99 1 47 VAL -4.76 -2.45 1 48 LEU -2.76 -1.99 1 49 LEU -0.86 -1.51 1 50 ALA -4.16 -1.88 1 51 GLU 0.16 0.95 1 54 SER 0.62 0.24 1 55 TYR -0.89 -2.26 1 57 ASP -1.35 -0.14 1 58 VAL 5.13 3.91 1 59 GLN 2.54 2.25 1 60 GLU 2.96 2.66 1 61 LEU 3.95 3.18 1 62 VAL 6.98 5.57 1 63 ASP 4.50 3.37 1 64 GLN 3.93 3.52 1 65 LEU 3.79 3.43 1 66 ARG 1.93 0.28 1 67 GLN 2.70 2.05 1 68 ARG -1.46 0.47 1 70 THR 2.39 0.68 1 72 GLU 2.67 2.17 1 73 GLN -0.22 1.01 1 74 LEU -3.90 -0.47 1 75 LYS -3.79 -3.14 1 76 ILE -2.05 -0.36 1 77 PHE -6.63 -4.97 1 78 ILE -2.63 -2.74 1 79 LEU -1.58 -2.47 1 81 SER 0.06 0.53 1 82 LYS 2.04 1.01 1 84 ASN -0.73 -1.02 1 85 TYR -0.30 -0.26 1 86 GLN 0.30 0.26 1 88 VAL -0.38 -0.06 1 91 TYR -2.12 -0.99 1 92 ILE -3.07 -0.72 1 94 LEU -2.77 -1.26 1 96 ILE 0.38 -1.13 1 97 HIS -2.80 -0.06 1 99 GLU 3.43 2.96 1 100 SER 1.29 1.23 1 101 PHE 4.26 4.32 1 102 LEU 3.98 2.82 1 103 GLN 4.78 3.44 1 104 GLN 3.85 3.50 1 105 VAL 5.39 3.92 1 106 THR 6.36 5.16 1 107 MET 3.71 3.16 1 109 LEU 1.33 1.19 1 110 THR 0.51 0.80 1 111 SER 0.49 0.18 1 112 LEU -0.36 -0.11 1 113 ALA -0.04 0.06 1 114 THR -0.10 -0.17 1 115 SER -0.19 -0.14 1 116 ALA -0.12 0.00 1 117 GLN 0.44 1.57 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr30092_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.63 _LACS_plot.Line_1_terminator_val_y_1 3.38 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.02 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.45 _LACS_plot.Line_2_terminator_val_x_2 7.13 _LACS_plot.Line_2_terminator_val_y_2 -1.52 _LACS_plot.Y_axis_chem_shift_offset -0.01 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 89 ASP 0.83 2.80 0 90 ARG -5.09 4.30 0 53 PHE 0.29 -2.65 0 10 ASP -1.57 0.99 1 11 GLU 3.59 -0.18 1 12 ALA 4.33 -1.23 1 13 THR 5.77 -1.56 1 14 SER 7.13 -2.98 1 15 THR 5.99 -1.35 1 16 LEU 3.71 -0.79 1 17 ILE 6.27 -1.17 1 19 SER 4.71 -1.18 1 20 ILE 3.71 0.46 1 21 LEU 3.21 -0.70 1 22 THR 5.63 -1.17 1 23 THR 5.86 -1.21 1 24 ALA -1.25 0.98 1 26 TYR 0.25 -0.01 1 27 GLN -1.38 0.60 1 28 VAL -2.45 0.58 1 29 ILE -2.30 1.44 1 30 TRP -3.46 0.14 1 31 LEU -4.69 2.65 1 32 VAL -0.29 -1.02 1 33 ASP -3.90 2.20 1 35 GLU -0.30 0.30 1 36 VAL 6.23 -1.23 1 37 GLU 4.49 -1.52 1 38 ARG 3.37 -0.78 1 39 LEU 3.73 -0.12 1 40 LEU 3.17 -1.40 1 41 ALA 2.78 -1.10 1 42 LEU 0.00 -0.26 1 43 THR 1.28 -0.42 1 45 ILE 1.04 -0.26 1 46 ALA -5.32 3.33 1 47 VAL -4.76 2.31 1 48 LEU -2.76 0.77 1 49 LEU -0.86 -0.65 1 50 ALA -4.16 2.28 1 51 GLU 0.16 0.79 1 54 SER 0.62 -0.38 1 55 TYR -0.89 -1.37 1 57 ASP -1.35 1.21 1 58 VAL 5.13 -1.22 1 59 GLN 2.54 -0.29 1 60 GLU 2.96 -0.30 1 61 LEU 3.95 -0.77 1 62 VAL 6.98 -1.41 1 63 ASP 4.50 -1.13 1 64 GLN 3.93 -0.41 1 65 LEU 3.79 -0.36 1 66 ARG 1.93 -1.65 1 67 GLN 2.70 -0.65 1 68 ARG -1.46 1.93 1 70 THR 2.39 -1.71 1 72 GLU 2.67 -0.50 1 73 GLN -0.22 1.23 1 74 LEU -3.90 3.43 1 75 LYS -3.79 0.65 1 76 ILE -2.05 1.69 1 77 PHE -6.63 1.66 1 78 ILE -2.63 -0.11 1 79 LEU -1.58 -0.89 1 81 SER 0.06 0.47 1 82 LYS 2.04 -1.03 1 84 ASN -0.73 -0.29 1 85 TYR -0.30 0.04 1 86 GLN 0.30 -0.04 1 88 VAL -0.38 0.32 1 91 TYR -2.12 1.13 1 92 ILE -3.07 2.35 1 94 LEU -2.77 1.51 1 96 ILE 0.38 -1.51 1 97 HIS -2.80 2.74 1 99 GLU 3.43 -0.47 1 100 SER 1.29 -0.06 1 101 PHE 4.26 0.06 1 102 LEU 3.98 -1.16 1 103 GLN 4.78 -1.34 1 104 GLN 3.85 -0.35 1 105 VAL 5.39 -1.47 1 106 THR 6.36 -1.20 1 107 MET 3.71 -0.55 1 109 LEU 1.33 -0.14 1 110 THR 0.51 0.29 1 111 SER 0.49 -0.31 1 112 LEU -0.36 0.25 1 113 ALA -0.04 0.10 1 114 THR -0.10 -0.07 1 115 SER -0.19 0.05 1 116 ALA -0.12 0.12 1 117 GLN 0.44 1.13 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr30092_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.63 _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 -0.16 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.31 _LACS_plot.Line_2_terminator_val_x_2 7.13 _LACS_plot.Line_2_terminator_val_y_2 -0.79 _LACS_plot.Y_axis_chem_shift_offset -0.07 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 22 THR 5.63 0.50 0 51 GLU 0.16 -1.22 0 10 ASP -1.57 0.13 1 11 GLU 3.59 -0.65 1 12 ALA 4.33 -0.30 1 13 THR 5.77 -0.62 1 14 SER 7.13 -0.96 1 15 THR 5.99 -0.75 1 16 LEU 3.71 -0.20 1 17 ILE 6.27 -1.03 1 19 SER 4.71 -0.20 1 20 ILE 3.71 -0.37 1 21 LEU 3.21 -0.05 1 23 THR 5.86 -0.33 1 24 ALA -1.25 0.11 1 26 TYR 0.25 0.07 1 27 GLN -1.38 0.37 1 28 VAL -2.45 1.14 1 29 ILE -2.30 0.31 1 30 TRP -3.46 1.09 1 31 LEU -4.69 0.13 1 32 VAL -0.29 0.24 1 33 ASP -3.90 -0.17 1 35 GLU -0.30 -0.08 1 36 VAL 6.23 -0.66 1 37 GLU 4.49 -0.37 1 38 ARG 3.37 -0.33 1 39 LEU 3.73 -0.52 1 40 LEU 3.17 -0.40 1 41 ALA 2.78 -0.12 1 42 LEU 0.00 -0.08 1 43 THR 1.28 -0.74 1 45 ILE 1.04 0.50 1 46 ALA -5.32 1.11 1 47 VAL -4.76 0.86 1 48 LEU -2.76 0.77 1 49 LEU -0.86 0.58 1 50 ALA -4.16 1.10 1 53 PHE 0.29 0.08 1 54 SER 0.62 -0.09 1 55 TYR -0.89 0.22 1 57 ASP -1.35 -0.07 1 58 VAL 5.13 -0.83 1 59 GLN 2.54 -0.53 1 60 GLU 2.96 -0.26 1 61 LEU 3.95 -0.23 1 62 VAL 6.98 -0.87 1 63 ASP 4.50 -0.37 1 64 GLN 3.93 -0.38 1 65 LEU 3.79 -0.40 1 66 ARG 1.93 0.27 1 67 GLN 2.70 -0.21 1 68 ARG -1.46 0.12 1 70 THR 2.39 0.26 1 72 GLU 2.67 -0.32 1 73 GLN -0.22 -0.11 1 74 LEU -3.90 0.11 1 75 LYS -3.79 0.64 1 76 ILE -2.05 0.50 1 77 PHE -6.63 1.09 1 78 ILE -2.63 0.90 1 79 LEU -1.58 1.32 1 81 SER 0.06 -0.09 1 82 LYS 2.04 -0.80 1 84 ASN -0.73 0.12 1 85 TYR -0.30 0.04 1 86 GLN 0.30 0.13 1 88 VAL -0.38 -0.35 1 89 ASP 0.83 0.01 1 90 ARG -5.09 0.20 1 91 TYR -2.12 0.82 1 92 ILE -3.07 0.20 1 94 LEU -2.77 -0.34 1 96 ILE 0.38 -0.15 1 97 HIS -2.80 0.09 1 99 GLU 3.43 -0.19 1 100 SER 1.29 0.20 1 101 PHE 4.26 -0.32 1 102 LEU 3.98 -0.71 1 103 GLN 4.78 -0.34 1 104 GLN 3.85 -0.46 1 105 VAL 5.39 -0.88 1 106 THR 6.36 -0.61 1 107 MET 3.71 -0.29 1 109 LEU 1.33 0.02 1 110 THR 0.51 0.03 1 111 SER 0.49 0.02 1 112 LEU -0.36 0.07 1 113 ALA -0.04 0.08 1 114 THR -0.10 0.03 1 115 SER -0.19 0.02 1 116 ALA -0.12 0.06 1 117 GLN 0.44 -0.18 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr30092_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.63 _LACS_plot.Line_1_terminator_val_y_1 -3.24 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.87 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.04 _LACS_plot.Line_2_terminator_val_x_2 7.13 _LACS_plot.Line_2_terminator_val_y_2 3.01 _LACS_plot.Y_axis_chem_shift_offset 0.11 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 43 THR 1.28 8.18 0 10 ASP -1.57 0.37 1 11 GLU 3.59 1.18 1 12 ALA 4.33 3.33 1 13 THR 5.77 1.32 1 14 SER 7.13 1.02 1 15 THR 5.99 1.88 1 16 LEU 3.71 0.56 1 17 ILE 6.27 1.63 1 19 SER 4.71 2.31 1 20 ILE 3.71 2.95 1 21 LEU 3.21 1.32 1 22 THR 5.63 5.08 1 23 THR 5.86 0.24 1 24 ALA -1.25 -1.10 1 26 TYR 0.25 -0.81 1 27 GLN -1.38 -1.29 1 28 VAL -2.45 -0.89 1 29 ILE -2.30 -2.75 1 30 TRP -3.46 -1.68 1 31 LEU -4.69 -2.81 1 32 VAL -0.29 -1.39 1 33 ASP -3.90 -1.59 1 35 GLU -0.30 1.19 1 36 VAL 6.23 -0.04 1 37 GLU 4.49 3.34 1 38 ARG 3.37 1.90 1 39 LEU 3.73 1.20 1 40 LEU 3.17 3.45 1 41 ALA 2.78 1.08 1 42 LEU 0.00 -1.90 1 45 ILE 1.04 0.64 1 46 ALA -5.32 -2.91 1 47 VAL -4.76 -3.55 1 48 LEU -2.76 -3.39 1 49 LEU -0.86 -2.56 1 50 ALA -4.16 -0.08 1 51 GLU 0.16 -0.12 1 53 PHE 0.29 0.82 1 54 SER 0.62 0.08 1 55 TYR -0.89 -0.72 1 57 ASP -1.35 1.12 1 58 VAL 5.13 -0.07 1 59 GLN 2.54 1.88 1 60 GLU 2.96 1.93 1 61 LEU 3.95 1.06 1 62 VAL 6.98 1.32 1 63 ASP 4.50 3.73 1 64 GLN 3.93 4.03 1 65 LEU 3.79 2.15 1 66 ARG 1.93 1.76 1 67 GLN 2.70 1.23 1 68 ARG -1.46 0.49 1 70 THR 2.39 1.80 1 72 GLU 2.67 0.68 1 73 GLN -0.22 -0.26 1 74 LEU -3.90 -2.81 1 75 LYS -3.79 -0.85 1 76 ILE -2.05 -1.49 1 77 PHE -6.63 -0.68 1 78 ILE -2.63 -1.54 1 79 LEU -1.58 -2.90 1 81 SER 0.06 -0.53 1 82 LYS 2.04 -0.11 1 84 ASN -0.73 -0.46 1 85 TYR -0.30 0.60 1 86 GLN 0.30 1.40 1 88 VAL -0.38 -0.63 1 89 ASP 0.83 0.00 1 90 ARG -5.09 -3.47 1 91 TYR -2.12 -0.21 1 92 ILE -3.07 -2.36 1 94 LEU -2.77 0.90 1 96 ILE 0.38 -0.55 1 99 GLU 3.43 1.26 1 100 SER 1.29 1.56 1 101 PHE 4.26 0.36 1 102 LEU 3.98 1.77 1 103 GLN 4.78 2.09 1 104 GLN 3.85 2.79 1 105 VAL 5.39 1.08 1 106 THR 6.36 3.33 1 107 MET 3.71 2.55 1 109 LEU 1.33 0.43 1 110 THR 0.51 -0.13 1 111 SER 0.49 -0.04 1 112 LEU -0.36 -0.37 1 113 ALA -0.04 0.22 1 114 THR -0.10 -0.06 1 115 SER -0.19 -0.53 1 116 ALA -0.12 -1.08 1 117 GLN 0.44 4.62 1 stop_ save_