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 bmr4558_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -9.68 _LACS_plot.Line_1_terminator_val_y_1 -3.77 _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 -2.80 _LACS_plot.Line_2_terminator_val_x_2 8.38 _LACS_plot.Line_2_terminator_val_y_2 5.44 _LACS_plot.Y_axis_chem_shift_offset 1.20 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 58 THR -2.35 4.63 0 10 ARG 5.40 3.16 1 11 GLN 5.49 3.35 1 12 VAL 5.61 3.85 1 13 SER 6.14 3.72 1 14 ARG 4.83 2.09 1 15 LEU 2.58 1.90 1 16 VAL 5.92 3.27 1 17 GLN 2.91 1.21 1 18 GLN 0.83 -0.49 1 19 GLU 3.06 -1.00 1 20 SER -0.19 -1.24 1 22 ASP 0.88 -0.19 1 24 THR 0.59 -1.56 1 26 LYS -3.42 -2.50 1 27 LEU -3.89 -1.78 1 28 ARG 0.59 -0.51 1 30 ASN -3.05 -2.36 1 31 VAL 0.66 -0.83 1 32 ALA -5.92 -3.07 1 33 ALA -3.09 -2.89 1 34 ASN 0.79 -1.23 1 35 LYS 0.71 -1.40 1 36 GLU 0.21 0.78 1 37 THR -3.13 -2.97 1 38 THR -2.95 -2.27 1 39 PHE 3.43 1.21 1 40 GLN -4.87 -2.37 1 42 LEU -0.64 -1.76 1 43 THR -2.87 -2.97 1 44 ILE 4.92 1.67 1 45 ALA 2.92 0.97 1 46 SER -1.94 -2.65 1 48 ALA 1.40 -1.14 1 49 ARG -3.19 -4.29 1 50 GLU 4.98 2.82 1 52 GLU 2.44 1.56 1 53 LYS 4.42 2.89 1 54 VAL 5.29 3.35 1 55 PHE 6.76 4.32 1 56 ALA 4.16 2.12 1 57 GLN 4.06 1.58 1 59 VAL 8.39 5.00 1 60 LEU 3.91 1.99 1 61 SER 4.80 2.50 1 62 HIS 1.77 3.34 1 63 VAL -0.49 -2.93 1 64 ALA 3.02 0.96 1 65 ASN 1.65 0.13 1 66 VAL -0.23 -1.28 1 67 VAL 2.45 0.41 1 68 LEU -2.20 -3.16 1 69 THR -5.96 -2.18 1 70 GLN 4.37 2.44 1 71 GLU 3.42 2.02 1 72 ASP 2.58 2.68 1 73 THR 6.77 3.48 1 74 ALA 4.36 1.86 1 75 LYS 3.71 2.46 1 76 LEU 4.19 1.56 1 78 GLN 4.31 2.09 1 79 SER 3.80 1.65 1 80 THR 4.27 2.27 1 88 TYR -1.24 -0.64 1 89 ASP 0.35 -1.48 1 90 LEU -3.62 -2.50 1 91 ARG -4.02 -3.26 1 92 SER 0.79 -0.26 1 93 VAL -0.61 -2.55 1 97 ASN -2.06 -1.43 1 98 SER -3.92 -0.74 1 99 VAL -4.65 -2.99 1 100 LEU -0.19 -1.40 1 101 VAL 1.56 0.33 1 102 SER -1.34 -1.24 1 103 LEU -5.02 -3.24 1 104 ARG 1.09 -1.22 1 105 SER -1.24 -0.95 1 106 ASP -1.64 -1.04 1 107 GLN -8.14 -2.48 1 108 MET -5.37 -1.44 1 109 THR 0.09 -1.21 1 110 LEU 3.62 2.33 1 111 GLN 4.37 2.06 1 112 ASP 5.26 1.90 1 113 ALA 1.79 1.66 1 114 LYS 5.23 4.28 1 115 VAL 4.81 2.87 1 116 LEU 3.99 1.95 1 117 LEU 2.95 1.25 1 118 GLU 5.32 2.51 1 119 ALA 3.91 1.79 1 120 ALA 3.56 1.70 1 121 LEU 2.86 1.65 1 122 ARG 3.84 2.03 1 123 GLN 2.62 1.11 1 124 GLU 1.43 0.45 1 125 SER 1.78 0.57 1 127 ALA 0.84 -0.56 1 128 ARG 0.88 -0.44 1 130 SER 0.26 -0.70 1 131 HIS -0.18 0.28 1 132 HIS -9.68 -1.72 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr4558_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -9.68 _LACS_plot.Line_1_terminator_val_y_1 5.91 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -2.66 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.80 _LACS_plot.Line_2_terminator_val_x_2 8.38 _LACS_plot.Line_2_terminator_val_y_2 -2.94 _LACS_plot.Y_axis_chem_shift_offset 1.20 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 58 THR -2.35 6.98 0 10 ARG 5.40 -2.24 1 11 GLN 5.49 -2.14 1 12 VAL 5.61 -1.76 1 13 SER 6.14 -2.42 1 14 ARG 4.83 -2.74 1 15 LEU 2.58 -0.68 1 16 VAL 5.92 -2.65 1 17 GLN 2.91 -1.70 1 18 GLN 0.83 -1.32 1 19 GLU 3.06 -4.06 1 20 SER -0.19 -1.05 1 22 ASP 0.88 -1.07 1 24 THR 0.59 -2.15 1 26 LYS -3.42 0.92 1 27 LEU -3.89 2.11 1 28 ARG 0.59 -1.10 1 30 ASN -3.05 0.69 1 31 VAL 0.66 -1.49 1 32 ALA -5.92 2.85 1 33 ALA -3.09 0.20 1 34 ASN 0.79 -2.02 1 35 LYS 0.71 -2.11 1 36 GLU 0.21 0.57 1 37 THR -3.13 0.16 1 38 THR -2.95 0.68 1 39 PHE 3.43 -2.22 1 40 GLN -4.87 2.50 1 42 LEU -0.64 -1.12 1 43 THR -2.87 -0.10 1 44 ILE 4.92 -3.25 1 45 ALA 2.92 -1.95 1 46 SER -1.94 -0.71 1 48 ALA 1.40 -2.54 1 49 ARG -3.19 -1.10 1 50 GLU 4.98 -2.16 1 52 GLU 2.44 -0.88 1 53 LYS 4.42 -1.53 1 54 VAL 5.29 -1.94 1 55 PHE 6.76 -2.44 1 56 ALA 4.16 -2.04 1 57 GLN 4.06 -2.48 1 59 VAL 8.39 -3.39 1 60 LEU 3.91 -1.92 1 61 SER 4.80 -2.30 1 62 HIS 1.77 1.57 1 63 VAL -0.49 -2.44 1 64 ALA 3.02 -2.06 1 65 ASN 1.65 -1.52 1 66 VAL -0.23 -1.05 1 67 VAL 2.45 -2.04 1 68 LEU -2.20 -0.96 1 69 THR -5.96 3.78 1 70 GLN 4.37 -1.93 1 71 GLU 3.42 -1.40 1 72 ASP 2.58 0.10 1 73 THR 6.77 -3.29 1 74 ALA 4.36 -2.50 1 75 LYS 3.71 -1.25 1 76 LEU 4.19 -2.63 1 78 GLN 4.31 -2.22 1 79 SER 3.80 -2.15 1 80 THR 4.27 -2.00 1 88 TYR -1.24 0.60 1 89 ASP 0.35 -1.83 1 90 LEU -3.62 1.12 1 91 ARG -4.02 0.76 1 92 SER 0.79 -1.05 1 93 VAL -0.61 -1.94 1 97 ASN -2.06 0.63 1 98 SER -3.92 3.18 1 99 VAL -4.65 1.66 1 100 LEU -0.19 -1.21 1 101 VAL 1.56 -1.23 1 102 SER -1.34 0.10 1 103 LEU -5.02 1.78 1 104 ARG 1.09 -2.31 1 105 SER -1.24 0.29 1 106 ASP -1.64 0.60 1 107 GLN -8.14 5.66 1 108 MET -5.37 3.93 1 109 THR 0.09 -1.30 1 110 LEU 3.62 -1.29 1 111 GLN 4.37 -2.31 1 112 ASP 5.26 -3.36 1 113 ALA 1.79 -0.13 1 114 LYS 5.23 -0.95 1 115 VAL 4.81 -1.94 1 116 LEU 3.99 -2.04 1 117 LEU 2.95 -1.70 1 118 GLU 5.32 -2.81 1 119 ALA 3.91 -2.12 1 120 ALA 3.56 -1.86 1 121 LEU 2.86 -1.21 1 122 ARG 3.84 -1.81 1 123 GLN 2.62 -1.51 1 124 GLU 1.43 -0.98 1 125 SER 1.78 -1.21 1 127 ALA 0.84 -1.40 1 128 ARG 0.88 -1.32 1 130 SER 0.26 -0.96 1 131 HIS -0.18 0.46 1 132 HIS -9.68 7.96 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr4558_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -9.68 _LACS_plot.Line_1_terminator_val_y_1 0.96 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.04 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.32 _LACS_plot.Line_2_terminator_val_x_2 8.38 _LACS_plot.Line_2_terminator_val_y_2 -0.64 _LACS_plot.Y_axis_chem_shift_offset -0.13 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 132 HIS -9.68 -0.20 0 10 ARG 5.40 -0.50 1 11 GLN 5.49 -0.26 1 12 VAL 5.61 -0.61 1 13 SER 6.14 -0.72 1 14 ARG 4.83 0.06 1 15 LEU 2.58 -0.22 1 16 VAL 5.92 -0.60 1 17 GLN 2.91 -0.13 1 18 GLN 0.83 0.11 1 19 GLU 3.06 0.18 1 20 SER -0.19 0.42 1 22 ASP 0.88 0.22 1 24 THR 0.59 0.36 1 26 LYS -3.42 0.19 1 27 LEU -3.89 0.66 1 28 ARG 0.59 0.12 1 30 ASN -3.05 0.30 1 31 VAL 0.66 0.55 1 32 ALA -5.92 0.38 1 33 ALA -3.09 0.32 1 34 ASN 0.79 -0.56 1 35 LYS 0.71 0.31 1 36 GLU 0.21 0.03 1 37 THR -3.13 0.40 1 38 THR -2.95 0.27 1 39 PHE 3.43 -0.61 1 40 GLN -4.87 -0.09 1 42 LEU -0.64 -0.14 1 43 THR -2.87 0.51 1 44 ILE 4.92 0.08 1 45 ALA 2.92 0.00 1 46 SER -1.94 0.03 1 48 ALA 1.40 -0.03 1 49 ARG -3.19 0.07 1 50 GLU 4.98 -0.24 1 52 GLU 2.44 -0.01 1 53 LYS 4.42 0.02 1 54 VAL 5.29 -0.26 1 55 PHE 6.76 -0.60 1 56 ALA 4.16 -0.44 1 57 GLN 4.06 -0.44 1 58 THR -2.35 -0.37 1 59 VAL 8.39 0.47 1 60 LEU 3.91 -0.37 1 61 SER 4.80 -0.22 1 62 HIS 1.77 -0.10 1 63 VAL -0.49 0.63 1 64 ALA 3.02 0.08 1 65 ASN 1.65 -0.20 1 66 VAL -0.23 0.03 1 67 VAL 2.45 -0.14 1 68 LEU -2.20 0.55 1 69 THR -5.96 0.66 1 70 GLN 4.37 -0.16 1 71 GLU 3.42 -0.23 1 72 ASP 2.58 -0.36 1 73 THR 6.77 -0.64 1 74 ALA 4.36 -0.11 1 75 LYS 3.71 -0.19 1 76 LEU 4.19 -0.18 1 78 GLN 4.31 -0.16 1 79 SER 3.80 -0.08 1 80 THR 4.27 0.10 1 88 TYR -1.24 0.31 1 89 ASP 0.35 0.32 1 90 LEU -3.62 0.88 1 91 ARG -4.02 0.53 1 92 SER 0.79 0.28 1 93 VAL -0.61 0.66 1 97 ASN -2.06 0.64 1 98 SER -3.92 1.26 1 99 VAL -4.65 0.57 1 100 LEU -0.19 0.33 1 101 VAL 1.56 0.09 1 102 SER -1.34 0.12 1 103 LEU -5.02 0.97 1 104 ARG 1.09 0.09 1 105 SER -1.24 -0.14 1 106 ASP -1.64 0.53 1 107 GLN -8.14 0.69 1 108 MET -5.37 0.28 1 109 THR 0.09 0.17 1 110 LEU 3.62 -0.31 1 111 GLN 4.37 -0.33 1 112 ASP 5.26 -0.42 1 113 ALA 1.79 -0.17 1 114 LYS 5.23 -0.58 1 115 VAL 4.81 -0.18 1 116 LEU 3.99 -0.44 1 117 LEU 2.95 -0.34 1 118 GLU 5.32 -0.58 1 119 ALA 3.91 -0.11 1 120 ALA 3.56 -0.12 1 121 LEU 2.86 -0.36 1 122 ARG 3.84 -0.23 1 123 GLN 2.62 -0.04 1 124 GLU 1.43 -0.05 1 125 SER 1.78 -0.03 1 127 ALA 0.84 0.06 1 128 ARG 0.88 0.05 1 130 SER 0.26 -0.01 1 131 HIS -0.18 0.08 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr4558_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -9.68 _LACS_plot.Line_1_terminator_val_y_1 -3.73 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.59 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.03 _LACS_plot.Line_2_terminator_val_x_2 8.38 _LACS_plot.Line_2_terminator_val_y_2 2.94 _LACS_plot.Y_axis_chem_shift_offset 0.21 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 43 THR -2.87 3.55 0 132 HIS -9.68 -0.19 0 10 ARG 5.40 2.55 1 11 GLN 5.49 3.43 1 12 VAL 5.61 0.61 1 13 SER 6.14 1.48 1 14 ARG 4.83 1.68 1 15 LEU 2.58 1.65 1 16 VAL 5.92 1.78 1 18 GLN 0.83 -0.95 1 19 GLU 3.06 -0.63 1 20 SER -0.19 0.65 1 22 ASP 0.88 -0.06 1 24 THR 0.59 -0.23 1 26 LYS -3.42 -1.73 1 27 LEU -3.89 -4.61 1 28 ARG 0.59 -1.23 1 30 ASN -3.05 -1.16 1 32 ALA -5.92 -3.26 1 33 ALA -3.09 -1.20 1 34 ASN 0.79 -0.43 1 35 LYS 0.71 -0.16 1 36 GLU 0.21 -0.42 1 37 THR -3.13 -1.42 1 38 THR -2.95 0.10 1 39 PHE 3.43 -1.04 1 40 GLN -4.87 -2.05 1 42 LEU -0.64 -0.31 1 44 ILE 4.92 2.10 1 45 ALA 2.92 0.42 1 46 SER -1.94 -1.32 1 48 ALA 1.40 -1.82 1 49 ARG -3.19 2.19 1 52 GLU 2.44 2.03 1 53 LYS 4.42 1.52 1 54 VAL 5.29 3.70 1 55 PHE 6.76 -1.12 1 56 ALA 4.16 1.23 1 57 GLN 4.06 3.25 1 59 VAL 8.39 0.96 1 60 LEU 3.91 0.91 1 61 SER 4.80 1.84 1 62 HIS 1.77 2.31 1 63 VAL -0.49 -0.67 1 64 ALA 3.02 0.32 1 65 ASN 1.65 -1.46 1 66 VAL -0.23 -2.10 1 67 VAL 2.45 -1.84 1 68 LEU -2.20 -0.49 1 69 THR -5.96 1.43 1 70 GLN 4.37 2.08 1 71 GLU 3.42 1.92 1 72 ASP 2.58 1.96 1 73 THR 6.77 2.18 1 74 ALA 4.36 2.79 1 75 LYS 3.71 3.16 1 76 LEU 4.19 1.18 1 78 GLN 4.31 2.45 1 79 SER 3.80 1.01 1 80 THR 4.27 1.71 1 88 TYR -1.24 -2.52 1 89 ASP 0.35 -2.51 1 90 LEU -3.62 -1.21 1 91 ARG -4.02 -1.00 1 92 SER 0.79 1.41 1 93 VAL -0.61 -0.79 1 97 ASN -2.06 1.27 1 98 SER -3.92 -4.04 1 99 VAL -4.65 -2.17 1 100 LEU -0.19 -2.51 1 101 VAL 1.56 -0.07 1 102 SER -1.34 -3.03 1 103 LEU -5.02 0.34 1 104 ARG 1.09 -1.77 1 105 SER -1.24 -2.83 1 106 ASP -1.64 -5.17 1 107 GLN -8.14 -1.38 1 108 MET -5.37 -1.03 1 109 THR 0.09 0.71 1 110 LEU 3.62 0.48 1 111 GLN 4.37 1.26 1 112 ASP 5.26 1.54 1 113 ALA 1.79 0.73 1 114 LYS 5.23 0.40 1 115 VAL 4.81 2.78 1 116 LEU 3.99 0.22 1 117 LEU 2.95 1.35 1 118 GLU 5.32 2.37 1 119 ALA 3.91 1.98 1 120 ALA 3.56 2.20 1 121 LEU 2.86 1.23 1 122 ARG 3.84 1.83 1 124 GLU 1.43 0.67 1 125 SER 1.78 0.95 1 127 ALA 0.84 0.02 1 128 ARG 0.88 0.50 1 131 HIS -0.18 0.37 1 stop_ save_