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 bmr30161_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.03 _LACS_plot.Line_1_terminator_val_y_1 -3.67 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.70 _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 6.86 _LACS_plot.Line_2_terminator_val_y_2 5.09 _LACS_plot.Y_axis_chem_shift_offset -0.25 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 19 HIS 4.61 5.83 0 10 ASP 0.61 1.71 1 11 SER -1.20 -2.43 1 12 ALA 3.91 3.07 1 13 THR 5.17 3.66 1 14 MET 2.64 0.74 1 15 ARG 6.67 6.02 1 16 ALA 3.76 2.47 1 17 LEU 3.31 3.06 1 18 LEU 3.79 3.21 1 20 ALA 3.66 2.90 1 21 THR 5.21 4.76 1 22 LEU 3.30 2.08 1 23 ALA 4.12 2.45 1 24 GLN 4.18 2.62 1 25 ALA -0.85 -0.67 1 27 TYR -0.29 -0.01 1 28 GLU -1.23 -1.29 1 29 VAL -2.14 -1.33 1 30 THR -1.08 0.12 1 31 VAL -5.44 -3.99 1 32 ALA -5.35 -2.09 1 33 ALA -1.55 -0.32 1 34 ASP -3.39 -1.30 1 36 GLU 4.03 3.08 1 37 ALA 2.70 2.08 1 39 PHE 5.79 4.84 1 40 ASP 4.09 3.22 1 41 LEU 3.82 2.87 1 42 ALA 2.64 1.44 1 43 ALA 2.52 0.84 1 44 THR 0.79 1.29 1 45 THR -1.70 -0.25 1 46 ALA 0.20 -1.62 1 47 TYR -0.17 1.12 1 48 ASP 0.65 2.18 1 49 LEU -3.07 -0.52 1 50 VAL -3.74 -2.07 1 51 LEU -4.81 -2.43 1 52 THR -3.65 -2.97 1 53 ASP 0.18 1.88 1 59 LYS 0.23 0.50 1 65 ILE 6.80 5.75 1 66 ALA 3.61 2.41 1 67 ALA 3.26 2.31 1 68 LEU 3.98 2.89 1 69 ARG 2.09 0.45 1 70 GLN 0.74 0.24 1 71 LEU -0.37 -1.01 1 73 ALA 1.69 1.13 1 74 TYR -0.25 -0.68 1 75 ALA 4.12 3.87 1 76 ASP -2.12 -0.89 1 77 THR 0.52 2.05 1 79 ILE -3.00 -0.67 1 80 LEU -4.49 -2.42 1 81 VAL -5.89 -4.12 1 82 LEU -1.07 -1.34 1 83 THR -3.87 -2.89 1 84 THR -0.12 -0.27 1 85 GLU -0.71 -0.20 1 87 SER -1.59 -1.21 1 88 ASP 4.98 3.63 1 89 ALA 3.90 2.55 1 90 PHE 4.87 3.84 1 91 LYS 4.79 3.76 1 92 ALA 3.72 2.36 1 93 ALA 3.57 2.04 1 94 ALA 4.56 2.15 1 95 ARG 4.74 3.37 1 96 ASP 4.03 3.00 1 97 ALA 0.61 0.84 1 99 ALA 0.63 0.46 1 100 THR 4.10 3.15 1 102 TRP -6.03 -3.71 1 103 ILE -3.17 -0.80 1 104 GLU -1.20 -0.54 1 105 LYS -0.13 0.35 1 107 ILE -1.19 -1.36 1 108 ASP -3.10 -1.73 1 111 VAL 4.16 3.22 1 112 LEU 4.18 3.15 1 113 VAL 6.43 5.17 1 114 GLU 3.24 2.59 1 115 LEU 3.76 2.98 1 116 VAL 6.87 4.88 1 117 ALA 4.04 2.76 1 118 THR 3.38 3.00 1 119 LEU 1.50 1.20 1 120 SER -0.30 0.22 1 121 GLU -0.82 -0.11 1 123 ALA -0.50 -0.39 1 124 ALA -0.46 -0.25 1 125 ASN -0.04 1.47 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr30161_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.03 _LACS_plot.Line_1_terminator_val_y_1 2.36 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.30 _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 6.86 _LACS_plot.Line_2_terminator_val_y_2 -1.77 _LACS_plot.Y_axis_chem_shift_offset -0.25 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 19 HIS 4.61 1.22 0 10 ASP 0.61 1.10 1 11 SER -1.20 -1.23 1 12 ALA 3.91 -0.84 1 13 THR 5.17 -1.51 1 14 MET 2.64 -1.90 1 15 ARG 6.67 -0.65 1 16 ALA 3.76 -1.29 1 17 LEU 3.31 -0.25 1 18 LEU 3.79 -0.58 1 20 ALA 3.66 -0.76 1 21 THR 5.21 -0.45 1 22 LEU 3.30 -1.22 1 23 ALA 4.12 -1.67 1 24 GLN 4.18 -1.56 1 25 ALA -0.85 0.18 1 27 TYR -0.29 0.28 1 28 GLU -1.23 -0.06 1 29 VAL -2.14 0.81 1 30 THR -1.08 1.20 1 31 VAL -5.44 1.45 1 32 ALA -5.35 3.26 1 33 ALA -1.55 1.23 1 34 ASP -3.39 2.09 1 36 GLU 4.03 -0.95 1 37 ALA 2.70 -0.62 1 39 PHE 5.79 -0.95 1 40 ASP 4.09 -0.87 1 41 LEU 3.82 -0.95 1 42 ALA 2.64 -1.20 1 43 ALA 2.52 -1.68 1 44 THR 0.79 0.50 1 45 THR -1.70 1.45 1 46 ALA 0.20 -1.82 1 47 TYR -0.17 1.29 1 48 ASP 0.65 1.53 1 49 LEU -3.07 2.55 1 50 VAL -3.74 1.67 1 51 LEU -4.81 2.38 1 52 THR -3.65 0.68 1 53 ASP 0.18 1.70 1 59 LYS 0.23 0.27 1 65 ILE 6.80 -1.05 1 66 ALA 3.61 -1.20 1 67 ALA 3.26 -0.95 1 68 LEU 3.98 -1.09 1 69 ARG 2.09 -1.64 1 70 GLN 0.74 -0.50 1 71 LEU -0.37 -0.64 1 73 ALA 1.69 -0.56 1 74 TYR -0.25 -0.43 1 75 ALA 4.12 -0.25 1 76 ASP -2.12 1.23 1 77 THR 0.52 1.53 1 79 ILE -3.00 2.33 1 80 LEU -4.49 2.07 1 81 VAL -5.89 1.77 1 82 LEU -1.07 -0.27 1 83 THR -3.87 0.98 1 84 THR -0.12 -0.15 1 85 GLU -0.71 0.51 1 87 SER -1.59 0.38 1 88 ASP 4.98 -1.35 1 89 ALA 3.90 -1.35 1 90 PHE 4.87 -1.03 1 91 LYS 4.79 -1.03 1 92 ALA 3.72 -1.36 1 93 ALA 3.57 -1.53 1 94 ALA 4.56 -2.41 1 95 ARG 4.74 -1.37 1 96 ASP 4.03 -1.03 1 97 ALA 0.61 0.23 1 99 ALA 0.63 -0.17 1 100 THR 4.10 -0.95 1 102 TRP -6.03 2.32 1 103 ILE -3.17 2.37 1 104 GLU -1.20 0.66 1 105 LYS -0.13 0.48 1 107 ILE -1.19 -0.17 1 108 ASP -3.10 1.37 1 111 VAL 4.16 -0.94 1 112 LEU 4.18 -1.03 1 113 VAL 6.43 -1.26 1 114 GLU 3.24 -0.65 1 115 LEU 3.76 -0.78 1 116 VAL 6.87 -1.99 1 117 ALA 4.04 -1.28 1 118 THR 3.38 -0.38 1 119 LEU 1.50 -0.30 1 120 SER -0.30 0.52 1 121 GLU -0.82 0.71 1 123 ALA -0.50 0.11 1 124 ALA -0.46 0.21 1 125 ASN -0.04 1.51 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr30161_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.03 _LACS_plot.Line_1_terminator_val_y_1 0.64 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.24 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.19 _LACS_plot.Line_2_terminator_val_x_2 6.86 _LACS_plot.Line_2_terminator_val_y_2 -0.79 _LACS_plot.Y_axis_chem_shift_offset 0.02 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 91 LYS 4.79 -1.53 0 31 VAL -5.44 1.53 0 10 ASP 0.61 -0.09 1 11 SER -1.20 0.14 1 12 ALA 3.91 -0.57 1 13 THR 5.17 -0.45 1 14 MET 2.64 -0.09 1 15 ARG 6.67 -0.77 1 16 ALA 3.76 -0.20 1 17 LEU 3.31 -0.15 1 18 LEU 3.79 -0.74 1 19 HIS 4.61 -0.95 1 20 ALA 3.66 -0.37 1 21 THR 5.21 -0.66 1 22 LEU 3.30 -0.19 1 23 ALA 4.12 0.31 1 24 GLN 4.18 -0.36 1 25 ALA -0.85 -0.02 1 27 TYR -0.29 -0.06 1 28 GLU -1.23 0.18 1 29 VAL -2.14 0.75 1 30 THR -1.08 0.12 1 32 ALA -5.35 0.17 1 33 ALA -1.55 0.14 1 34 ASP -3.39 -0.03 1 36 GLU 4.03 -0.32 1 37 ALA 2.70 -0.19 1 39 PHE 5.79 -0.95 1 40 ASP 4.09 -0.48 1 41 LEU 3.82 -0.30 1 42 ALA 2.64 0.13 1 43 ALA 2.52 -0.48 1 44 THR 0.79 -0.14 1 45 THR -1.70 -0.30 1 46 ALA 0.20 -0.17 1 47 TYR -0.17 -0.29 1 48 ASP 0.65 -0.27 1 49 LEU -3.07 0.28 1 50 VAL -3.74 0.93 1 51 LEU -4.81 0.91 1 52 THR -3.65 1.01 1 53 ASP 0.18 0.03 1 59 LYS 0.23 -0.12 1 65 ILE 6.80 -0.97 1 66 ALA 3.61 -0.23 1 67 ALA 3.26 -0.31 1 68 LEU 3.98 -0.47 1 69 ARG 2.09 -0.46 1 70 GLN 0.74 -0.15 1 71 LEU -0.37 0.17 1 73 ALA 1.69 -0.30 1 74 TYR -0.25 0.48 1 75 ALA 4.12 -0.28 1 76 ASP -2.12 0.11 1 77 THR 0.52 -0.42 1 79 ILE -3.00 0.80 1 80 LEU -4.49 0.66 1 81 VAL -5.89 1.15 1 82 LEU -1.07 0.98 1 83 THR -3.87 0.58 1 84 THR -0.12 0.10 1 85 GLU -0.71 -0.21 1 87 SER -1.59 -0.05 1 88 ASP 4.98 -0.55 1 89 ALA 3.90 -0.31 1 90 PHE 4.87 -0.64 1 92 ALA 3.72 -0.45 1 93 ALA 3.57 -0.40 1 94 ALA 4.56 -0.65 1 95 ARG 4.74 -0.24 1 96 ASP 4.03 -0.42 1 97 ALA 0.61 -0.22 1 99 ALA 0.63 -0.34 1 100 THR 4.10 -0.41 1 102 TRP -6.03 1.20 1 103 ILE -3.17 -0.11 1 104 GLU -1.20 0.27 1 105 LYS -0.13 -0.60 1 107 ILE -1.19 -0.13 1 108 ASP -3.10 0.07 1 111 VAL 4.16 -0.49 1 112 LEU 4.18 -0.49 1 113 VAL 6.43 -0.85 1 114 GLU 3.24 -0.36 1 115 LEU 3.76 -0.34 1 116 VAL 6.87 -0.95 1 117 ALA 4.04 -0.27 1 118 THR 3.38 -0.28 1 119 LEU 1.50 -0.25 1 120 SER -0.30 -0.08 1 121 GLU -0.82 -0.10 1 123 ALA -0.50 -0.14 1 124 ALA -0.46 -0.11 1 125 ASN -0.04 -0.40 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr30161_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.03 _LACS_plot.Line_1_terminator_val_y_1 -2.94 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.91 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.02 _LACS_plot.Line_2_terminator_val_x_2 6.86 _LACS_plot.Line_2_terminator_val_y_2 2.99 _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 65 ILE 6.80 0.22 0 45 THR -1.70 -4.35 0 23 ALA 4.12 5.41 0 10 ASP 0.61 0.08 1 11 SER -1.20 1.53 1 12 ALA 3.91 3.17 1 13 THR 5.17 2.82 1 14 MET 2.64 2.53 1 15 ARG 6.67 1.70 1 16 ALA 3.76 2.49 1 17 LEU 3.31 3.30 1 18 LEU 3.79 0.45 1 19 HIS 4.61 2.01 1 20 ALA 3.66 3.22 1 21 THR 5.21 2.06 1 22 LEU 3.30 0.88 1 24 GLN 4.18 0.95 1 25 ALA -0.85 -1.33 1 27 TYR -0.29 -1.06 1 28 GLU -1.23 -0.51 1 29 VAL -2.14 -1.26 1 30 THR -1.08 -1.75 1 31 VAL -5.44 -1.65 1 32 ALA -5.35 -2.01 1 33 ALA -1.55 -1.94 1 34 ASP -3.39 -0.39 1 36 GLU 4.03 1.69 1 37 ALA 2.70 3.79 1 39 PHE 5.79 0.06 1 40 ASP 4.09 3.59 1 41 LEU 3.82 2.28 1 42 ALA 2.64 0.14 1 43 ALA 2.52 1.16 1 44 THR 0.79 -0.41 1 46 ALA 0.20 -1.45 1 47 TYR -0.17 -0.39 1 48 ASP 0.65 -1.35 1 49 LEU -3.07 -3.75 1 50 VAL -3.74 -2.74 1 51 LEU -4.81 -2.17 1 66 ALA 3.61 2.59 1 67 ALA 3.26 3.95 1 68 LEU 3.98 1.37 1 69 ARG 2.09 0.92 1 70 GLN 0.74 0.85 1 71 LEU -0.37 1.75 1 73 ALA 1.69 0.20 1 74 TYR -0.25 -0.01 1 75 ALA 4.12 1.11 1 76 ASP -2.12 0.00 1 79 ILE -3.00 -1.03 1 80 LEU -4.49 -2.54 1 81 VAL -5.89 -2.11 1 82 LEU -1.07 -1.68 1 83 THR -3.87 -1.49 1 84 THR -0.12 0.30 1 85 GLU -0.71 -0.66 1 87 SER -1.59 0.24 1 88 ASP 4.98 2.64 1 89 ALA 3.90 2.77 1 90 PHE 4.87 0.58 1 91 LYS 4.79 2.01 1 92 ALA 3.72 1.75 1 93 ALA 3.57 3.11 1 94 ALA 4.56 1.77 1 95 ARG 4.74 4.29 1 96 ASP 4.03 1.36 1 97 ALA 0.61 -0.72 1 99 ALA 0.63 -0.86 1 100 THR 4.10 -0.35 1 102 TRP -6.03 -1.51 1 103 ILE -3.17 -1.93 1 104 GLU -1.20 -0.86 1 107 ILE -1.19 -1.42 1 111 VAL 4.16 2.21 1 112 LEU 4.18 -0.12 1 113 VAL 6.43 2.29 1 114 GLU 3.24 2.18 1 115 LEU 3.76 2.41 1 116 VAL 6.87 1.66 1 117 ALA 4.04 3.00 1 118 THR 3.38 1.65 1 119 LEU 1.50 0.03 1 120 SER -0.30 -0.73 1 123 ALA -0.50 -0.34 1 124 ALA -0.46 -1.14 1 stop_ save_