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 bmr6540_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -9.40 _LACS_plot.Line_1_terminator_val_y_1 -4.55 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.09 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.32 _LACS_plot.Line_2_terminator_val_x_2 7.95 _LACS_plot.Line_2_terminator_val_y_2 6.08 _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 130 SER -2.26 3.61 0 88 LYS 1.70 -3.14 0 10 ASP 0.06 0.23 1 11 PHE -3.67 -2.86 1 14 GLN 7.33 5.39 1 15 ALA 3.05 3.18 1 16 PHE 5.38 5.22 1 17 LYS 4.62 4.71 1 18 LEU 3.52 3.07 1 19 LEU 5.86 3.74 1 20 SER 5.50 4.63 1 21 ALA 3.01 2.87 1 22 VAL 5.81 4.69 1 23 ASP 1.78 3.57 1 24 ILE -0.75 1.75 1 25 LEU -0.15 -0.23 1 27 GLU 2.86 1.28 1 28 LYS -0.91 -0.41 1 29 PHE -6.18 -1.23 1 31 ILE -2.74 -1.85 1 33 LEU 7.96 5.51 1 35 ILE 7.03 5.65 1 36 LEU 4.67 3.50 1 37 PHE 3.97 2.74 1 38 LEU 2.52 2.25 1 39 ARG 3.64 0.72 1 41 SER -1.06 0.31 1 42 ASN 0.84 0.13 1 43 SER 0.18 0.54 1 44 GLN 2.88 1.57 1 45 ARG 1.64 1.63 1 46 LEU -3.48 -2.39 1 47 ALA 0.22 0.26 1 48 ASP 3.81 3.47 1 49 GLN 4.26 2.25 1 50 TYR 3.37 2.21 1 51 ARG 3.99 1.69 1 52 ARG -0.34 -0.71 1 53 HIS 0.26 4.11 1 54 SER 4.42 3.61 1 55 LEU 0.03 0.49 1 56 PHE 2.37 1.39 1 58 THR 2.27 2.05 1 60 LYS 3.23 2.48 1 61 ASP 2.13 0.73 1 62 GLN -2.35 -2.66 1 63 THR -1.32 -0.30 1 64 GLU 4.76 4.82 1 65 SER 5.50 3.82 1 66 TRP 4.94 5.38 1 67 TRP 1.90 3.76 1 68 LYS 4.77 3.88 1 69 ALA 4.11 2.93 1 70 PHE 2.62 1.80 1 71 SER 1.27 4.37 1 72 ARG 4.82 3.09 1 73 GLN 3.78 2.24 1 74 LEU 3.09 2.02 1 75 ILE 3.76 3.31 1 76 THR 6.42 4.78 1 79 PHE 2.06 3.39 1 80 LEU -9.40 -2.99 1 81 VAL -4.67 -2.28 1 82 GLU -3.73 -1.92 1 83 VAL -3.92 -1.78 1 84 SER -0.51 -0.53 1 85 ARG -1.88 -0.07 1 86 TYR -7.05 -3.06 1 87 ASN -5.14 -0.80 1 89 PHE 0.25 0.92 1 90 MET -1.45 -0.33 1 91 LYS -1.05 -0.44 1 92 ILE -3.25 -1.85 1 94 ALA -6.44 -2.82 1 95 LEU 0.72 1.17 1 96 THR -3.90 -2.54 1 97 LYS 5.49 4.05 1 98 LYS 3.79 3.56 1 100 ARG 5.35 4.00 1 101 ASN 3.61 2.99 1 102 TRP 5.64 5.38 1 103 LEU 2.41 2.99 1 104 HIS 2.74 4.23 1 105 LYS 3.30 2.40 1 106 ALA 1.33 0.64 1 107 ASN 1.01 1.80 1 108 THR 1.05 1.28 1 109 GLU -1.88 -0.45 1 110 SER 0.98 0.56 1 111 GLN -1.77 -1.31 1 112 SER -1.75 -0.50 1 113 LEU 1.87 2.40 1 114 ILE 1.21 -0.45 1 115 LEU -4.64 -1.87 1 116 GLN 0.54 0.11 1 117 ALA -1.44 -0.52 1 118 ASN -1.37 -0.66 1 119 GLU 2.27 2.07 1 120 GLU 1.63 1.64 1 121 LEU -1.43 -0.44 1 124 LYS 0.78 0.64 1 125 LYS 0.39 0.31 1 126 LEU 0.04 -0.03 1 127 LEU -0.65 -0.26 1 128 LEU -0.40 -0.22 1 131 SER -2.13 3.58 1 132 LYS 0.12 0.14 1 133 THR 0.27 0.17 1 134 VAL -0.25 -0.12 1 135 SER -0.18 -0.29 1 136 SER 0.22 0.29 1 138 THR 0.09 -0.01 1 139 LYS 0.12 0.14 1 140 GLU -0.57 -0.09 1 141 HIS -0.36 1.51 1 143 TYR -0.11 -0.19 1 144 ASN 0.02 1.80 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6540_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -9.40 _LACS_plot.Line_1_terminator_val_y_1 4.85 _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 0.68 _LACS_plot.Line_2_terminator_val_x_2 7.95 _LACS_plot.Line_2_terminator_val_y_2 -1.87 _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 130 SER -2.26 5.87 0 88 LYS 1.70 -4.84 0 10 ASP 0.06 0.17 1 11 PHE -3.67 0.81 1 14 GLN 7.33 -1.94 1 15 ALA 3.05 0.13 1 16 PHE 5.38 -0.16 1 17 LYS 4.62 0.09 1 18 LEU 3.52 -0.45 1 19 LEU 5.86 -2.12 1 20 SER 5.50 -0.87 1 21 ALA 3.01 -0.14 1 22 VAL 5.81 -1.12 1 23 ASP 1.78 1.79 1 24 ILE -0.75 2.50 1 25 LEU -0.15 -0.08 1 27 GLU 2.86 -1.58 1 28 LYS -0.91 0.50 1 29 PHE -6.18 4.95 1 31 ILE -2.74 0.89 1 33 LEU 7.96 -2.45 1 35 ILE 7.03 -1.38 1 36 LEU 4.67 -1.17 1 37 PHE 3.97 -1.23 1 38 LEU 2.52 -0.27 1 39 ARG 3.64 -2.92 1 41 SER -1.06 1.37 1 42 ASN 0.84 -0.71 1 43 SER 0.18 0.36 1 44 GLN 2.88 -1.31 1 45 ARG 1.64 -0.01 1 46 LEU -3.48 1.09 1 47 ALA 0.22 0.04 1 48 ASP 3.81 -0.34 1 49 GLN 4.26 -2.01 1 50 TYR 3.37 -1.16 1 51 ARG 3.99 -2.30 1 52 ARG -0.34 -0.37 1 53 HIS 0.26 3.85 1 54 SER 4.42 -0.81 1 55 LEU 0.03 0.46 1 56 PHE 2.37 -0.98 1 58 THR 2.27 -0.22 1 60 LYS 3.23 -0.75 1 61 ASP 2.13 -1.40 1 62 GLN -2.35 -0.31 1 63 THR -1.32 1.02 1 64 GLU 4.76 0.06 1 65 SER 5.50 -1.68 1 66 TRP 4.94 0.44 1 67 TRP 1.90 1.86 1 68 LYS 4.77 -0.89 1 69 ALA 4.11 -1.18 1 70 PHE 2.62 -0.82 1 71 SER 1.27 3.10 1 72 ARG 4.82 -1.73 1 73 GLN 3.78 -1.54 1 74 LEU 3.09 -1.07 1 75 ILE 3.76 -0.45 1 76 THR 6.42 -1.64 1 79 PHE 2.06 1.33 1 80 LEU -9.40 6.41 1 81 VAL -4.67 2.39 1 82 GLU -3.73 1.81 1 83 VAL -3.92 2.14 1 84 SER -0.51 -0.02 1 85 ARG -1.88 1.81 1 86 TYR -7.05 3.99 1 87 ASN -5.14 4.34 1 89 PHE 0.25 0.67 1 90 MET -1.45 1.12 1 91 LYS -1.05 0.61 1 92 ILE -3.25 1.40 1 94 ALA -6.44 3.62 1 95 LEU 0.72 0.45 1 96 THR -3.90 1.36 1 97 LYS 5.49 -1.44 1 98 LYS 3.79 -0.23 1 100 ARG 5.35 -1.35 1 101 ASN 3.61 -0.62 1 102 TRP 5.64 -0.26 1 103 LEU 2.41 0.58 1 104 HIS 2.74 1.49 1 105 LYS 3.30 -0.90 1 106 ALA 1.33 -0.69 1 107 ASN 1.01 0.79 1 108 THR 1.05 0.23 1 109 GLU -1.88 1.43 1 110 SER 0.98 -0.42 1 111 GLN -1.77 0.46 1 112 SER -1.75 1.25 1 113 LEU 1.87 0.53 1 114 ILE 1.21 -1.66 1 115 LEU -4.64 2.77 1 116 GLN 0.54 -0.43 1 117 ALA -1.44 0.92 1 118 ASN -1.37 0.71 1 119 GLU 2.27 -0.20 1 120 GLU 1.63 0.01 1 121 LEU -1.43 0.99 1 124 LYS 0.78 -0.14 1 125 LYS 0.39 -0.08 1 126 LEU 0.04 -0.07 1 127 LEU -0.65 0.39 1 128 LEU -0.40 0.18 1 131 SER -2.13 5.71 1 132 LYS 0.12 0.02 1 133 THR 0.27 -0.10 1 134 VAL -0.25 0.13 1 135 SER -0.18 -0.11 1 136 SER 0.22 0.07 1 138 THR 0.09 -0.10 1 139 LYS 0.12 0.02 1 140 GLU -0.57 0.48 1 141 HIS -0.36 1.87 1 143 TYR -0.11 -0.08 1 144 ASN 0.02 1.78 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6540_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -9.40 _LACS_plot.Line_1_terminator_val_y_1 0.33 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.19 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.02 _LACS_plot.Line_2_terminator_val_x_2 7.95 _LACS_plot.Line_2_terminator_val_y_2 -0.40 _LACS_plot.Y_axis_chem_shift_offset 0.10 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 86 TYR -7.05 -1.27 0 10 ASP 0.06 -0.09 1 11 PHE -3.67 -0.12 1 14 GLN 7.33 0.06 1 15 ALA 3.05 -0.13 1 16 PHE 5.38 -0.29 1 17 LYS 4.62 0.00 1 18 LEU 3.52 -0.27 1 19 LEU 5.86 -0.53 1 20 SER 5.50 -0.46 1 21 ALA 3.01 -0.84 1 22 VAL 5.81 0.02 1 23 ASP 1.78 -0.39 1 24 ILE -0.75 -0.03 1 25 LEU -0.15 -0.03 1 27 GLU 2.86 -0.44 1 28 LYS -0.91 -0.04 1 29 PHE -6.18 -0.27 1 31 ILE -2.74 -0.13 1 33 LEU 7.96 -0.46 1 35 ILE 7.03 0.07 1 36 LEU 4.67 -0.14 1 37 PHE 3.97 -0.26 1 38 LEU 2.52 -0.67 1 39 ARG 3.64 -0.72 1 41 SER -1.06 -0.01 1 42 ASN 0.84 0.04 1 43 SER 0.18 -0.13 1 44 GLN 2.88 -0.06 1 45 ARG 1.64 0.08 1 46 LEU -3.48 0.08 1 47 ALA 0.22 0.06 1 48 ASP 3.81 -0.51 1 49 GLN 4.26 0.93 1 50 TYR 3.37 -0.04 1 51 ARG 3.99 0.09 1 52 ARG -0.34 -0.10 1 53 HIS 0.26 -0.48 1 54 SER 4.42 -0.11 1 55 LEU 0.03 0.29 1 56 PHE 2.37 -0.22 1 58 THR 2.27 -0.06 1 60 LYS 3.23 -0.40 1 61 ASP 2.13 -0.39 1 62 GLN -2.35 0.16 1 63 THR -1.32 -0.27 1 64 GLU 4.76 -0.25 1 65 SER 5.50 -0.45 1 66 TRP 4.94 -1.19 1 67 TRP 1.90 -0.19 1 68 LYS 4.77 -0.22 1 69 ALA 4.11 -0.42 1 70 PHE 2.62 -0.76 1 71 SER 1.27 0.42 1 72 ARG 4.82 -0.45 1 73 GLN 3.78 -0.33 1 74 LEU 3.09 -0.39 1 75 ILE 3.76 0.16 1 76 THR 6.42 -0.46 1 79 PHE 2.06 -0.78 1 80 LEU -9.40 0.89 1 81 VAL -4.67 0.35 1 82 GLU -3.73 0.98 1 83 VAL -3.92 0.24 1 84 SER -0.51 0.26 1 85 ARG -1.88 -0.09 1 87 ASN -5.14 -0.35 1 88 LYS 1.70 -0.19 1 89 PHE 0.25 -0.19 1 90 MET -1.45 0.06 1 91 LYS -1.05 0.12 1 92 ILE -3.25 -0.24 1 94 ALA -6.44 0.32 1 95 LEU 0.72 0.27 1 96 THR -3.90 0.07 1 97 LYS 5.49 0.00 1 98 LYS 3.79 -0.17 1 100 ARG 5.35 -0.38 1 101 ASN 3.61 -0.24 1 102 TRP 5.64 -0.18 1 103 LEU 2.41 -0.35 1 104 HIS 2.74 -0.31 1 105 LYS 3.30 -0.36 1 106 ALA 1.33 -0.22 1 107 ASN 1.01 -0.21 1 108 THR 1.05 -0.15 1 109 GLU -1.88 0.00 1 110 SER 0.98 -0.28 1 111 GLN -1.77 -0.02 1 112 SER -1.75 0.80 1 113 LEU 1.87 0.31 1 114 ILE 1.21 0.00 1 115 LEU -4.64 0.45 1 116 GLN 0.54 0.03 1 117 ALA -1.44 -0.11 1 118 ASN -1.37 -0.08 1 119 GLU 2.27 -0.35 1 120 GLU 1.63 -0.32 1 121 LEU -1.43 -0.03 1 124 LYS 0.78 -0.24 1 125 LYS 0.39 -0.12 1 126 LEU 0.04 -0.41 1 127 LEU -0.65 -0.01 1 128 LEU -0.40 -0.10 1 130 SER -2.26 -0.03 1 131 SER -2.13 -0.41 1 132 LYS 0.12 -0.04 1 133 THR 0.27 0.01 1 134 VAL -0.25 0.02 1 135 SER -0.18 -0.12 1 136 SER 0.22 -0.01 1 138 THR 0.09 -0.03 1 139 LYS 0.12 -0.04 1 140 GLU -0.57 -0.04 1 141 HIS -0.36 -0.26 1 143 TYR -0.11 0.03 1 144 ASN 0.02 -0.33 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6540_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -9.40 _LACS_plot.Line_1_terminator_val_y_1 -2.66 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.78 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.46 _LACS_plot.Line_2_terminator_val_x_2 7.95 _LACS_plot.Line_2_terminator_val_y_2 2.51 _LACS_plot.Y_axis_chem_shift_offset -0.16 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 96 THR -3.90 4.33 0 10 ASP 0.06 -1.80 1 11 PHE -3.67 0.16 1 14 GLN 7.33 2.76 1 15 ALA 3.05 0.94 1 16 PHE 5.38 2.86 1 17 LYS 4.62 0.53 1 18 LEU 3.52 0.26 1 19 LEU 5.86 1.36 1 20 SER 5.50 0.33 1 21 ALA 3.01 0.49 1 22 VAL 5.81 1.59 1 23 ASP 1.78 -0.36 1 24 ILE -0.75 -1.47 1 25 LEU -0.15 0.03 1 27 GLU 2.86 -1.38 1 28 LYS -0.91 -1.58 1 29 PHE -6.18 -0.78 1 31 ILE -2.74 -1.32 1 33 LEU 7.96 0.44 1 35 ILE 7.03 0.45 1 36 LEU 4.67 1.55 1 37 PHE 3.97 1.81 1 38 LEU 2.52 1.91 1 39 ARG 3.64 -0.59 1 41 SER -1.06 -0.10 1 42 ASN 0.84 0.46 1 43 SER 0.18 -0.66 1 44 GLN 2.88 0.37 1 45 ARG 1.64 -0.08 1 46 LEU -3.48 -2.95 1 47 ALA 0.22 0.59 1 48 ASP 3.81 2.12 1 49 GLN 4.26 2.07 1 50 TYR 3.37 1.00 1 51 ARG 3.99 -0.25 1 52 ARG -0.34 -0.27 1 53 HIS 0.26 1.91 1 54 SER 4.42 1.85 1 55 LEU 0.03 1.54 1 56 PHE 2.37 1.82 1 58 THR 2.27 0.85 1 60 LYS 3.23 -1.45 1 61 ASP 2.13 -1.13 1 62 GLN -2.35 0.00 1 63 THR -1.32 0.32 1 64 GLU 4.76 1.76 1 65 SER 5.50 2.14 1 66 TRP 4.94 2.31 1 67 TRP 1.90 3.63 1 68 LYS 4.77 3.15 1 69 ALA 4.11 1.96 1 70 PHE 2.62 2.32 1 71 SER 1.27 0.76 1 72 ARG 4.82 2.84 1 73 GLN 3.78 3.40 1 74 LEU 3.09 1.21 1 75 ILE 3.76 1.84 1 76 THR 6.42 2.17 1 79 PHE 2.06 -2.58 1 80 LEU -9.40 -3.26 1 81 VAL -4.67 -4.04 1 82 GLU -3.73 -0.29 1 83 VAL -3.92 0.01 1 84 SER -0.51 -0.01 1 85 ARG -1.88 0.41 1 86 TYR -7.05 -0.25 1 87 ASN -5.14 0.46 1 88 LYS 1.70 2.36 1 89 PHE 0.25 -0.25 1 90 MET -1.45 -1.45 1 91 LYS -1.05 -0.21 1 92 ILE -3.25 -1.59 1 94 ALA -6.44 -1.58 1 95 LEU 0.72 1.42 1 97 LYS 5.49 1.83 1 98 LYS 3.79 3.58 1 100 ARG 5.35 2.34 1 101 ASN 3.61 2.48 1 102 TRP 5.64 2.14 1 103 LEU 2.41 0.83 1 104 HIS 2.74 5.30 1 105 LYS 3.30 -2.07 1 106 ALA 1.33 0.09 1 107 ASN 1.01 1.07 1 108 THR 1.05 -0.31 1 109 GLU -1.88 -1.61 1 110 SER 0.98 0.42 1 111 GLN -1.77 -0.74 1 112 SER -1.75 0.07 1 113 LEU 1.87 -3.61 1 114 ILE 1.21 -0.08 1 115 LEU -4.64 -1.49 1 116 GLN 0.54 1.70 1 117 ALA -1.44 -0.52 1 118 ASN -1.37 0.73 1 119 GLU 2.27 0.65 1 120 GLU 1.63 0.68 1 121 LEU -1.43 -0.27 1 124 LYS 0.78 0.39 1 125 LYS 0.39 0.07 1 126 LEU 0.04 -4.38 1 127 LEU -0.65 -0.94 1 128 LEU -0.40 0.95 1 130 SER -2.26 -0.07 1 131 SER -2.13 0.00 1 132 LYS 0.12 -0.15 1 133 THR 0.27 -0.17 1 134 VAL -0.25 0.09 1 135 SER -0.18 0.16 1 136 SER 0.22 0.50 1 138 THR 0.09 -0.10 1 139 LYS 0.12 -0.20 1 140 GLU -0.57 -0.45 1 141 HIS -0.36 2.27 1 143 TYR -0.11 -1.22 1 144 ASN 0.02 -0.53 1 stop_ save_