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 bmr5960_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -5.48 _LACS_plot.Line_1_terminator_val_y_1 -3.27 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.96 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.67 _LACS_plot.Line_2_terminator_val_x_2 7.04 _LACS_plot.Line_2_terminator_val_y_2 5.07 _LACS_plot.Y_axis_chem_shift_offset 0.18 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 53 THR 3.15 -3.77 0 12 GLU 0.03 3.45 1 14 ASP 3.16 2.67 1 15 LYS 2.90 1.99 1 16 TRP 1.40 2.48 1 17 GLU -0.02 -0.32 1 18 LYS -1.23 -0.77 1 21 LEU 4.04 2.87 1 22 ARG -2.70 -1.53 1 28 GLN -0.59 -1.29 1 31 LEU 5.31 3.73 1 34 ILE 4.81 3.17 1 35 VAL 5.95 4.62 1 36 TRP 5.80 4.33 1 37 ALA 4.65 2.41 1 39 ARG 3.26 2.22 1 40 GLU 1.98 1.40 1 41 LEU 5.46 3.04 1 42 GLU 4.00 2.80 1 43 ARG 3.85 2.28 1 44 PHE 0.16 -0.69 1 45 ALA 3.61 0.55 1 46 VAL -1.82 -1.57 1 47 ASN -0.88 -0.63 1 50 LEU 3.63 1.85 1 52 GLU 0.55 1.54 1 54 SER 5.33 4.11 1 55 GLU 3.98 2.73 1 58 ARG 4.50 3.43 1 59 GLN 4.07 3.16 1 63 GLN 2.81 2.10 1 64 LEU -0.72 0.63 1 65 GLN 1.18 1.18 1 67 SER 3.54 2.48 1 68 LEU 3.74 2.44 1 69 GLN -2.20 -1.30 1 72 SER 3.11 2.39 1 73 GLU 4.46 3.45 1 74 GLU 3.89 2.41 1 75 LEU 5.34 3.46 1 76 ARG 4.77 3.51 1 77 SER 4.07 4.65 1 79 TYR 3.90 2.49 1 80 ASN 6.66 5.75 1 81 THR 4.71 3.05 1 83 ALA 7.05 4.69 1 84 VAL 3.53 2.92 1 85 LEU 5.39 4.67 1 86 TYR 5.83 4.10 1 88 VAL 2.26 2.62 1 89 HIS -1.91 -0.69 1 90 GLN 4.32 0.86 1 91 ARG -0.43 -0.49 1 92 ILE 1.39 0.30 1 93 ASP -5.48 -3.43 1 94 VAL -0.45 0.11 1 95 LYS 4.68 3.17 1 98 LYS 3.13 3.10 1 99 GLU 2.29 2.53 1 100 ALA 4.54 2.77 1 102 ASP 4.00 1.72 1 103 LYS 4.76 3.30 1 104 ILE 0.28 2.70 1 105 GLU 2.83 2.27 1 106 GLU 3.02 2.44 1 107 GLU 3.23 2.08 1 108 GLN 2.32 1.50 1 109 ASN 2.75 1.91 1 110 LYS 1.77 1.13 1 111 SER 1.45 0.76 1 112 LYS 1.32 0.63 1 113 LYS 1.32 0.63 1 114 LYS 0.57 0.18 1 115 ALA 0.96 0.51 1 116 GLN 0.67 0.48 1 117 GLN 0.40 0.04 1 118 ALA 0.19 -0.11 1 119 ALA 0.41 -0.03 1 120 ALA -0.12 -0.19 1 121 ASP 0.52 -0.04 1 127 GLN 0.99 0.45 1 128 VAL 0.60 0.03 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5960_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -5.48 _LACS_plot.Line_1_terminator_val_y_1 2.21 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.04 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.33 _LACS_plot.Line_2_terminator_val_x_2 7.04 _LACS_plot.Line_2_terminator_val_y_2 -1.97 _LACS_plot.Y_axis_chem_shift_offset 0.18 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 53 THR 3.15 -6.92 0 12 GLU 0.03 3.42 1 14 ASP 3.16 -0.49 1 15 LYS 2.90 -0.91 1 16 TRP 1.40 1.08 1 17 GLU -0.02 -0.30 1 18 LYS -1.23 0.46 1 21 LEU 4.04 -1.17 1 22 ARG -2.70 1.17 1 28 GLN -0.59 -0.70 1 31 LEU 5.31 -1.58 1 34 ILE 4.81 -1.64 1 35 VAL 5.95 -1.33 1 36 TRP 5.80 -1.47 1 37 ALA 4.65 -2.24 1 39 ARG 3.26 -1.04 1 40 GLU 1.98 -0.58 1 41 LEU 5.46 -2.42 1 42 GLU 4.00 -1.20 1 43 ARG 3.85 -1.57 1 44 PHE 0.16 -0.85 1 45 ALA 3.61 -3.06 1 46 VAL -1.82 0.25 1 47 ASN -0.88 0.25 1 50 LEU 3.63 -1.78 1 52 GLU 0.55 0.99 1 54 SER 5.33 -1.22 1 55 GLU 3.98 -1.25 1 58 ARG 4.50 -1.07 1 59 GLN 4.07 -0.91 1 63 GLN 2.81 -0.71 1 64 LEU -0.72 1.35 1 65 GLN 1.18 0.00 1 67 SER 3.54 -1.06 1 68 LEU 3.74 -1.30 1 69 GLN -2.20 0.90 1 72 SER 3.11 -0.72 1 73 GLU 4.46 -1.01 1 74 GLU 3.89 -1.48 1 75 LEU 5.34 -1.88 1 76 ARG 4.77 -1.26 1 77 SER 4.07 0.58 1 79 TYR 3.90 -1.41 1 80 ASN 6.66 -0.91 1 81 THR 4.71 -1.66 1 83 ALA 7.05 -2.36 1 84 VAL 3.53 -0.61 1 85 LEU 5.39 -0.72 1 86 TYR 5.83 -1.73 1 88 VAL 2.26 0.36 1 89 HIS -1.91 1.22 1 90 GLN 4.32 -3.46 1 91 ARG -0.43 -0.06 1 92 ILE 1.39 -1.09 1 93 ASP -5.48 2.05 1 94 VAL -0.45 0.56 1 95 LYS 4.68 -1.51 1 98 LYS 3.13 -0.03 1 99 GLU 2.29 0.24 1 100 ALA 4.54 -1.77 1 102 ASP 4.00 -2.28 1 103 LYS 4.76 -1.46 1 104 ILE 0.28 2.42 1 105 GLU 2.83 -0.56 1 106 GLU 3.02 -0.58 1 107 GLU 3.23 -1.15 1 108 GLN 2.32 -0.82 1 109 ASN 2.75 -0.84 1 110 LYS 1.77 -0.64 1 111 SER 1.45 -0.69 1 112 LYS 1.32 -0.69 1 113 LYS 1.32 -0.69 1 114 LYS 0.57 -0.39 1 115 ALA 0.96 -0.45 1 116 GLN 0.67 -0.19 1 117 GLN 0.40 -0.36 1 118 ALA 0.19 -0.30 1 119 ALA 0.41 -0.44 1 120 ALA -0.12 -0.07 1 121 ASP 0.52 -0.56 1 127 GLN 0.99 -0.54 1 128 VAL 0.60 -0.57 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5960_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -5.48 _LACS_plot.Line_1_terminator_val_y_1 0.30 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.23 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.06 _LACS_plot.Line_2_terminator_val_x_2 7.04 _LACS_plot.Line_2_terminator_val_y_2 -0.59 _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 93 ASP -5.48 0.47 0 12 GLU 0.03 -0.40 1 14 ASP 3.16 -0.32 1 15 LYS 2.90 -0.37 1 16 TRP 1.40 -0.63 1 17 GLU -0.02 0.30 1 18 LYS -1.23 0.06 1 21 LEU 4.04 -1.01 1 22 ARG -2.70 0.14 1 28 GLN -0.59 0.43 1 31 LEU 5.31 -0.22 1 34 ILE 4.81 -0.54 1 35 VAL 5.95 -0.71 1 36 TRP 5.80 -0.48 1 37 ALA 4.65 -1.03 1 39 ARG 3.26 -0.29 1 40 GLU 1.98 -0.60 1 41 LEU 5.46 -0.53 1 42 GLU 4.00 -0.28 1 43 ARG 3.85 -0.37 1 44 PHE 0.16 -0.10 1 45 ALA 3.61 -0.37 1 46 VAL -1.82 -0.09 1 47 ASN -0.88 -0.44 1 50 LEU 3.63 -0.25 1 52 GLU 0.55 -0.50 1 53 THR 3.15 -0.09 1 54 SER 5.33 -0.54 1 55 GLU 3.98 -0.35 1 58 ARG 4.50 -0.88 1 59 GLN 4.07 -0.36 1 63 GLN 2.81 -0.21 1 64 LEU -0.72 -0.17 1 65 GLN 1.18 -0.08 1 67 SER 3.54 -0.58 1 68 LEU 3.74 -0.32 1 69 GLN -2.20 0.07 1 72 SER 3.11 -0.29 1 73 GLU 4.46 -0.15 1 74 GLU 3.89 -0.22 1 75 LEU 5.34 -0.53 1 76 ARG 4.77 -0.20 1 77 SER 4.07 -1.00 1 79 TYR 3.90 -0.50 1 80 ASN 6.66 -0.49 1 81 THR 4.71 -0.51 1 83 ALA 7.05 -0.84 1 84 VAL 3.53 -0.55 1 85 LEU 5.39 -0.70 1 86 TYR 5.83 -0.33 1 88 VAL 2.26 -0.07 1 89 HIS -1.91 -0.04 1 90 GLN 4.32 -0.45 1 91 ARG -0.43 -0.24 1 92 ILE 1.39 -0.24 1 94 VAL -0.45 0.00 1 95 LYS 4.68 -0.43 1 98 LYS 3.13 -0.31 1 99 GLU 2.29 0.01 1 100 ALA 4.54 -0.31 1 102 ASP 4.00 -0.15 1 103 LYS 4.76 -0.45 1 104 ILE 0.28 -0.35 1 105 GLU 2.83 -0.34 1 106 GLU 3.02 -0.35 1 107 GLU 3.23 -0.29 1 108 GLN 2.32 -0.21 1 109 ASN 2.75 -0.21 1 110 LYS 1.77 -0.18 1 111 SER 1.45 -0.15 1 112 LYS 1.32 -0.14 1 113 LYS 1.32 -0.15 1 114 LYS 0.57 -0.12 1 115 ALA 0.96 -0.13 1 116 GLN 0.67 -0.14 1 117 GLN 0.40 -0.10 1 118 ALA 0.19 -0.11 1 119 ALA 0.41 -0.09 1 120 ALA -0.12 -0.07 1 121 ASP 0.52 -0.08 1 127 GLN 0.99 -0.07 1 128 VAL 0.60 -0.08 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5960_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -5.48 _LACS_plot.Line_1_terminator_val_y_1 -1.77 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.81 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.48 _LACS_plot.Line_2_terminator_val_x_2 7.04 _LACS_plot.Line_2_terminator_val_y_2 2.38 _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 94 VAL -5.48 -0.41 0 12 GLU 0.03 1.51 1 14 ASP 3.16 2.05 1 15 LYS 2.90 2.37 1 16 TRP 1.40 -0.83 1 17 GLU -0.02 0.42 1 18 LYS -1.23 0.52 1 21 LEU 4.04 1.91 1 28 GLN -0.59 -1.17 1 31 LEU 5.31 1.91 1 34 ILE 4.81 1.13 1 35 VAL 5.95 2.32 1 36 TRP 5.80 0.98 1 37 ALA 4.65 0.65 1 39 ARG 3.26 3.25 1 40 GLU 1.98 1.82 1 41 LEU 5.46 1.37 1 42 GLU 4.00 3.66 1 43 ARG 3.85 0.72 1 44 PHE 0.16 -2.10 1 45 ALA 3.61 -2.08 1 46 VAL -1.82 -1.58 1 50 LEU 3.63 -0.62 1 52 GLU 0.55 -1.40 1 53 THR 3.15 0.06 1 54 SER 5.33 1.25 1 55 GLU 3.98 2.57 1 58 ARG 4.50 2.70 1 59 GLN 4.07 3.24 1 63 GLN 2.81 2.08 1 64 LEU -0.72 0.24 1 67 SER 1.18 0.36 1 68 LEU 3.54 1.57 1 69 GLN 3.74 0.95 1 72 SER -2.20 0.91 1 73 GLU 3.11 2.19 1 74 GLU 4.46 1.58 1 75 LEU 3.89 0.99 1 76 ARG 5.34 1.64 1 77 SER 4.77 2.65 1 79 TYR 4.07 0.40 1 80 ASN 3.90 1.51 1 81 THR 6.66 1.05 1 83 ALA 4.71 1.75 1 84 VAL 7.05 1.47 1 85 LEU 3.53 -0.14 1 86 TYR 5.39 0.60 1 88 VAL 5.83 4.58 1 89 HIS 2.26 2.98 1 90 GLN -1.91 -1.45 1 91 ARG 4.32 -0.93 1 92 ILE -0.43 -0.41 1 93 ASP 1.39 -0.79 1 95 LYS -0.45 0.96 1 98 LYS 4.68 1.37 1 99 GLU 3.13 2.33 1 100 ALA 2.29 0.69 1 102 ASP 4.54 3.14 1 103 LYS 4.00 3.15 1 104 ILE 4.76 1.78 1 105 GLU 0.28 1.99 1 106 GLU 2.83 2.19 1 107 GLU 3.02 2.37 1 108 GLN 3.23 1.80 1 109 ASN 2.32 1.44 1 110 LYS 2.75 1.17 1 111 SER 1.77 0.43 1 112 LYS 1.45 0.31 1 113 LYS 1.32 0.28 1 114 LYS 1.32 0.00 1 115 ALA 0.57 0.11 1 116 GLN 0.96 0.02 1 117 GLN 0.67 -0.42 1 118 ALA 0.40 -0.48 1 119 ALA 0.19 -0.48 1 120 ALA 0.41 -0.44 1 121 ASP -0.12 0.13 1 127 GLN 0.52 0.02 1 128 VAL 0.99 -0.17 1 129 SER 0.60 -0.05 1 stop_ save_