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 bmr27853_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.80 _LACS_plot.Line_1_terminator_val_y_1 -2.95 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.58 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.42 _LACS_plot.Line_2_terminator_val_x_2 6.55 _LACS_plot.Line_2_terminator_val_y_2 5.08 _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 94 ALA -7.80 -2.13 0 10 LEU -1.89 -0.51 1 11 LYS -0.38 -0.25 1 12 LEU 3.06 3.58 1 14 GLU 2.24 2.11 1 15 LEU 3.41 3.38 1 16 LEU 2.84 3.06 1 17 LEU 2.86 2.87 1 18 GLN 2.83 3.25 1 19 LYS 0.73 0.03 1 21 TRP -2.42 -1.02 1 22 ILE -6.72 -2.93 1 23 SER -4.44 -2.27 1 24 ARG 5.39 3.77 1 25 GLU 4.96 3.77 1 26 ALA 2.94 2.26 1 27 LEU 4.22 2.93 1 28 GLU 4.22 3.28 1 29 GLU 2.70 2.54 1 30 ALA 2.46 2.42 1 31 LEU 4.17 2.82 1 32 VAL 5.54 4.27 1 33 GLU 3.79 3.02 1 34 GLN 4.26 4.11 1 35 GLU 4.16 2.89 1 36 LYS 1.52 1.88 1 37 THR -1.08 0.70 1 39 ASP -1.07 -0.33 1 40 LEU -1.18 -0.40 1 41 LEU 2.56 3.06 1 43 ARG 3.46 2.65 1 44 ILE 4.68 4.22 1 45 LEU 3.83 2.80 1 46 VAL 3.67 2.67 1 47 ARG 4.51 3.54 1 48 LYS 0.88 0.09 1 50 LEU -1.36 -0.16 1 52 GLU 3.49 3.51 1 53 GLU 4.68 3.73 1 54 ALA 3.71 1.95 1 55 LEU 5.51 3.28 1 56 TYR 5.71 5.37 1 57 ARG 5.68 4.58 1 58 ALA 3.37 2.70 1 59 LEU 2.57 2.27 1 60 ALA 4.60 2.98 1 61 GLU 3.36 2.67 1 62 GLN 3.25 3.52 1 63 LYS -2.27 -2.60 1 65 LEU -3.35 -2.00 1 66 GLU -1.74 -0.82 1 67 PHE -1.06 -0.22 1 68 LEU -2.83 -2.23 1 69 GLU 1.38 1.28 1 70 SER -3.13 -2.35 1 71 THR -0.31 -1.15 1 72 GLU 2.68 2.22 1 74 ILE 0.97 0.20 1 75 VAL 0.32 -0.29 1 77 ASP -4.14 -1.61 1 79 SER 4.06 3.08 1 80 ALA 1.98 0.59 1 81 ALA 4.07 2.23 1 82 LEU 1.24 0.93 1 83 LEU 1.75 1.47 1 84 LEU -5.50 -1.95 1 85 LEU -0.25 -0.10 1 86 ARG 4.84 3.79 1 87 SER 6.37 3.56 1 88 ASP 2.92 3.13 1 89 ALA 3.91 3.60 1 90 LEU 2.23 2.28 1 91 ARG 3.91 2.98 1 92 TYR -0.39 -0.86 1 95 VAL -4.29 -1.26 1 97 ILE -1.43 0.23 1 99 PHE -4.58 -1.58 1 100 GLN -2.19 -0.18 1 101 ASN 2.26 1.06 1 103 GLU -3.49 -2.01 1 104 VAL -1.21 -1.38 1 105 GLU -2.57 -1.36 1 106 VAL -3.38 -1.62 1 107 VAL 0.83 -0.24 1 108 LEU -3.02 -1.50 1 109 SER -1.31 -1.04 1 110 ASP -2.53 -0.99 1 112 ARG 3.53 2.45 1 113 HIS -2.48 -0.16 1 114 LYS 5.43 4.78 1 115 GLU 5.35 3.72 1 116 ALA 3.36 2.21 1 117 VAL 5.75 3.98 1 118 ALA 4.43 3.27 1 119 GLN 3.42 2.57 1 120 LEU 1.90 2.16 1 121 LEU 1.07 1.71 1 122 ASN 1.83 0.77 1 123 ARG -0.81 -0.58 1 125 ALA -5.80 -1.83 1 126 ARG -3.34 -1.59 1 127 PHE -3.09 0.10 1 128 TYR -6.25 -2.41 1 129 LEU -6.00 -1.86 1 130 ALA -6.88 -3.16 1 131 LEU 1.48 0.53 1 133 GLN 5.25 3.57 1 134 ALA 1.60 1.54 1 135 TRP 6.56 5.91 1 136 GLU 4.02 3.47 1 137 GLU 2.86 2.44 1 138 LEU 2.93 2.16 1 139 PHE 5.85 4.33 1 140 ARG 3.32 2.60 1 141 ARG 2.03 1.91 1 142 ALA -0.78 0.77 1 143 TYR -0.58 -0.81 1 145 GLN -0.46 0.21 1 146 LYS 0.91 1.54 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27853_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.80 _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 -1.42 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.58 _LACS_plot.Line_2_terminator_val_x_2 6.55 _LACS_plot.Line_2_terminator_val_y_2 -1.47 _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 94 ALA -7.80 5.67 0 10 LEU -1.89 1.38 1 11 LYS -0.38 0.13 1 12 LEU 3.06 0.52 1 14 GLU 2.24 -0.13 1 15 LEU 3.41 -0.03 1 16 LEU 2.84 0.22 1 17 LEU 2.86 0.01 1 18 GLN 2.83 0.42 1 19 LYS 0.73 -0.70 1 21 TRP -2.42 1.40 1 22 ILE -6.72 3.79 1 23 SER -4.44 2.17 1 24 ARG 5.39 -1.62 1 25 GLU 4.96 -1.19 1 26 ALA 2.94 -0.68 1 27 LEU 4.22 -1.29 1 28 GLU 4.22 -0.94 1 29 GLU 2.70 -0.16 1 30 ALA 2.46 -0.04 1 31 LEU 4.17 -1.35 1 32 VAL 5.54 -1.27 1 33 GLU 3.79 -0.77 1 34 GLN 4.26 -0.15 1 35 GLU 4.16 -1.27 1 36 LYS 1.52 0.36 1 37 THR -1.08 1.78 1 39 ASP -1.07 0.74 1 40 LEU -1.18 0.78 1 41 LEU 2.56 0.50 1 43 ARG 3.46 -0.81 1 44 ILE 4.68 -0.46 1 45 LEU 3.83 -1.03 1 46 VAL 3.67 -1.00 1 47 ARG 4.51 -0.97 1 48 LYS 0.88 -0.79 1 50 LEU -1.36 1.20 1 52 GLU 3.49 0.02 1 53 GLU 4.68 -0.95 1 54 ALA 3.71 -1.76 1 55 LEU 5.51 -2.23 1 56 TYR 5.71 -0.34 1 57 ARG 5.68 -1.10 1 58 ALA 3.37 -0.67 1 59 LEU 2.57 -0.30 1 60 ALA 4.60 -1.62 1 61 GLU 3.36 -0.69 1 62 GLN 3.25 0.27 1 63 LYS -2.27 -0.33 1 65 LEU -3.35 1.35 1 66 GLU -1.74 0.92 1 67 PHE -1.06 0.84 1 68 LEU -2.83 0.60 1 69 GLU 1.38 -0.10 1 70 SER -3.13 0.78 1 71 THR -0.31 -0.84 1 72 GLU 2.68 -0.46 1 74 ILE 0.97 -0.77 1 75 VAL 0.32 -0.61 1 77 ASP -4.14 2.53 1 79 SER 4.06 -0.98 1 80 ALA 1.98 -1.39 1 81 ALA 4.07 -1.84 1 82 LEU 1.24 -0.31 1 83 LEU 1.75 -0.28 1 84 LEU -5.50 3.55 1 85 LEU -0.25 0.15 1 86 ARG 4.84 -1.05 1 87 SER 6.37 -2.81 1 88 ASP 2.92 0.21 1 89 ALA 3.91 -0.31 1 90 LEU 2.23 0.05 1 91 ARG 3.91 -0.93 1 92 TYR -0.39 -0.47 1 95 VAL -4.29 3.03 1 97 ILE -1.43 1.66 1 99 PHE -4.58 3.00 1 100 GLN -2.19 2.01 1 101 ASN 2.26 -1.20 1 103 GLU -3.49 1.48 1 104 VAL -1.21 -0.17 1 105 GLU -2.57 1.21 1 106 VAL -3.38 1.76 1 107 VAL 0.83 -1.07 1 108 LEU -3.02 1.52 1 109 SER -1.31 0.27 1 110 ASP -2.53 1.54 1 112 ARG 3.53 -1.08 1 113 HIS -2.48 2.32 1 114 LYS 5.43 -0.65 1 115 GLU 5.35 -1.63 1 116 ALA 3.36 -1.15 1 117 VAL 5.75 -1.77 1 118 ALA 4.43 -1.16 1 119 GLN 3.42 -0.85 1 120 LEU 1.90 0.26 1 121 LEU 1.07 0.64 1 122 ASN 1.83 -1.06 1 123 ARG -0.81 0.23 1 125 ALA -5.80 3.97 1 126 ARG -3.34 1.75 1 127 PHE -3.09 3.19 1 128 TYR -6.25 3.84 1 129 LEU -6.00 4.14 1 130 ALA -6.88 3.72 1 131 LEU 1.48 -0.95 1 133 GLN 5.25 -1.68 1 134 ALA 1.60 -0.06 1 135 TRP 6.56 -0.65 1 136 GLU 4.02 -0.55 1 137 GLU 2.86 -0.42 1 138 LEU 2.93 -0.77 1 139 PHE 5.85 -1.52 1 140 ARG 3.32 -0.72 1 141 ARG 2.03 -0.12 1 142 ALA -0.78 1.55 1 143 TYR -0.58 -0.23 1 145 GLN -0.46 0.67 1 146 LYS 0.91 0.63 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27853_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.80 _LACS_plot.Line_1_terminator_val_y_1 0.82 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.25 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.17 _LACS_plot.Line_2_terminator_val_x_2 6.55 _LACS_plot.Line_2_terminator_val_y_2 -0.74 _LACS_plot.Y_axis_chem_shift_offset 0.04 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 108 LEU -3.02 1.61 0 10 LEU -1.89 0.03 1 11 LYS -0.38 -0.27 1 12 LEU 3.06 -0.59 1 14 GLU 2.24 -0.39 1 15 LEU 3.41 -0.42 1 16 LEU 2.84 -0.56 1 17 LEU 2.86 -0.20 1 18 GLN 2.83 -0.36 1 19 LYS 0.73 -0.43 1 21 TRP -2.42 0.13 1 22 ILE -6.72 0.58 1 23 SER -4.44 0.25 1 24 ARG 5.39 -0.48 1 25 GLU 4.96 -0.35 1 26 ALA 2.94 -0.21 1 27 LEU 4.22 -0.44 1 28 GLU 4.22 -0.45 1 29 GLU 2.70 -0.36 1 30 ALA 2.46 -0.31 1 31 LEU 4.17 -0.46 1 32 VAL 5.54 -0.34 1 33 GLU 3.79 -0.27 1 34 GLN 4.26 -0.51 1 35 GLU 4.16 -0.32 1 36 LYS 1.52 -0.01 1 37 THR -1.08 0.10 1 39 ASP -1.07 -0.04 1 40 LEU -1.18 -0.39 1 41 LEU 2.56 -0.57 1 43 ARG 3.46 -0.37 1 44 ILE 4.68 -0.62 1 45 LEU 3.83 -0.46 1 46 VAL 3.67 0.65 1 47 ARG 4.51 -0.19 1 48 LYS 0.88 0.01 1 50 LEU -1.36 -0.29 1 52 GLU 3.49 -0.45 1 53 GLU 4.68 -0.48 1 54 ALA 3.71 -0.75 1 55 LEU 5.51 -0.57 1 56 TYR 5.71 -0.79 1 57 ARG 5.68 -0.78 1 58 ALA 3.37 -0.27 1 59 LEU 2.57 -0.58 1 60 ALA 4.60 -0.47 1 61 GLU 3.36 -0.26 1 62 GLN 3.25 -0.48 1 63 LYS -2.27 0.24 1 65 LEU -3.35 0.31 1 66 GLU -1.74 0.17 1 67 PHE -1.06 0.44 1 68 LEU -2.83 0.05 1 69 GLU 1.38 -0.59 1 70 SER -3.13 0.16 1 71 THR -0.31 -0.02 1 72 GLU 2.68 -0.37 1 74 ILE 0.97 -0.33 1 75 VAL 0.32 -0.11 1 77 ASP -4.14 0.02 1 79 SER 4.06 -0.21 1 80 ALA 1.98 -0.14 1 81 ALA 4.07 -0.35 1 82 LEU 1.24 -0.03 1 83 LEU 1.75 -0.21 1 84 LEU -5.50 0.54 1 85 LEU -0.25 0.04 1 86 ARG 4.84 -1.21 1 87 SER 6.37 -0.59 1 88 ASP 2.92 0.07 1 89 ALA 3.91 0.15 1 90 LEU 2.23 -0.41 1 91 ARG 3.91 -0.56 1 92 TYR -0.39 -0.50 1 94 ALA -7.80 1.28 1 95 VAL -4.29 0.57 1 97 ILE -1.43 0.34 1 99 PHE -4.58 0.88 1 100 GLN -2.19 0.17 1 101 ASN 2.26 -0.37 1 103 GLU -3.49 0.13 1 104 VAL -1.21 0.18 1 105 GLU -2.57 0.54 1 106 VAL -3.38 0.60 1 107 VAL 0.83 0.53 1 109 SER -1.31 0.47 1 110 ASP -2.53 -0.03 1 112 ARG 3.53 -0.26 1 113 HIS -2.48 0.41 1 114 LYS 5.43 -1.14 1 115 GLU 5.35 -0.46 1 116 ALA 3.36 -0.36 1 117 VAL 5.75 -0.77 1 118 ALA 4.43 -0.09 1 119 GLN 3.42 -0.22 1 120 LEU 1.90 -0.21 1 121 LEU 1.07 -0.22 1 122 ASN 1.83 -0.31 1 123 ARG -0.81 0.20 1 125 ALA -5.80 0.90 1 126 ARG -3.34 0.11 1 127 PHE -3.09 0.86 1 128 TYR -6.25 0.88 1 129 LEU -6.00 1.04 1 130 ALA -6.88 0.57 1 131 LEU 1.48 -0.83 1 133 GLN 5.25 -0.15 1 134 ALA 1.60 -0.11 1 135 TRP 6.56 -1.10 1 136 GLU 4.02 -0.60 1 137 GLU 2.86 -0.40 1 138 LEU 2.93 -0.50 1 139 PHE 5.85 -1.04 1 140 ARG 3.32 -0.58 1 141 ARG 2.03 -0.25 1 142 ALA -0.78 -0.50 1 143 TYR -0.58 -0.19 1 145 GLN -0.46 -0.03 1 146 LYS 0.91 -0.16 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27853_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.80 _LACS_plot.Line_1_terminator_val_y_1 -2.92 _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 -0.60 _LACS_plot.Line_2_terminator_val_x_2 6.55 _LACS_plot.Line_2_terminator_val_y_2 2.61 _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 77 ASP -4.14 1.49 0 129 LEU -6.00 -4.69 0 146 LYS 0.91 4.36 0 10 LEU -1.89 -0.17 1 11 LYS -0.38 0.28 1 12 LEU 3.06 0.82 1 14 GLU 2.24 2.62 1 15 LEU 3.41 1.15 1 16 LEU 2.84 1.88 1 17 LEU 2.86 3.46 1 18 GLN 2.83 2.41 1 19 LYS 0.73 0.05 1 21 TRP -2.42 -0.82 1 22 ILE -6.72 -3.29 1 23 SER -4.44 0.39 1 24 ARG 5.39 1.94 1 25 GLU 4.96 2.05 1 26 ALA 2.94 2.72 1 27 LEU 4.22 0.14 1 28 GLU 4.22 2.96 1 29 GLU 2.70 2.95 1 30 ALA 2.46 1.13 1 31 LEU 4.17 2.70 1 32 VAL 5.54 2.57 1 33 GLU 3.79 2.97 1 34 GLN 4.26 2.16 1 35 GLU 4.16 1.25 1 36 LYS 1.52 1.87 1 37 THR -1.08 1.96 1 39 ASP -1.07 -0.76 1 40 LEU -1.18 0.44 1 41 LEU 2.56 1.46 1 43 ARG 3.46 3.25 1 44 ILE 4.68 1.65 1 45 LEU 3.83 2.64 1 46 VAL 3.67 4.35 1 47 ARG 4.51 2.05 1 48 LYS 0.88 -0.18 1 50 LEU -1.36 -0.98 1 52 GLU 3.49 1.86 1 53 GLU 4.68 0.63 1 54 ALA 3.71 1.41 1 55 LEU 5.51 0.30 1 56 TYR 5.71 1.95 1 57 ARG 5.68 3.46 1 58 ALA 3.37 0.88 1 59 LEU 2.57 1.65 1 60 ALA 4.60 1.25 1 61 GLU 3.36 3.01 1 62 GLN 3.25 1.01 1 63 LYS -2.27 -0.55 1 65 LEU -3.35 -1.97 1 66 GLU -1.74 -0.90 1 67 PHE -1.06 -1.50 1 68 LEU -2.83 -3.97 1 69 GLU 1.38 -0.37 1 70 SER -3.13 -0.16 1 71 THR -0.31 0.54 1 72 GLU 2.68 0.66 1 74 ILE 0.97 -1.00 1 75 VAL 0.32 -0.85 1 79 SER 4.06 1.26 1 80 ALA 1.98 0.47 1 81 ALA 4.07 1.01 1 82 LEU 1.24 0.31 1 83 LEU 1.75 -0.79 1 84 LEU -5.50 -1.65 1 85 LEU -0.25 1.43 1 86 ARG 4.84 0.99 1 87 SER 6.37 2.76 1 88 ASP 2.92 0.77 1 89 ALA 3.91 2.66 1 90 LEU 2.23 1.73 1 91 ARG 3.91 1.48 1 92 TYR -0.39 -1.41 1 94 ALA -7.80 -3.36 1 95 VAL -4.29 -0.82 1 97 ILE -1.43 -0.09 1 99 PHE -4.58 -0.11 1 100 GLN -2.19 -0.25 1 101 ASN 2.26 -0.27 1 103 GLU -3.49 -1.04 1 104 VAL -1.21 -2.09 1 105 GLU -2.57 -0.64 1 106 VAL -3.38 -2.37 1 107 VAL 0.83 -1.02 1 108 LEU -3.02 -0.94 1 109 SER -1.31 0.95 1 110 ASP -2.53 0.91 1 112 ARG 3.53 1.36 1 113 HIS -2.48 0.37 1 114 LYS 5.43 -0.35 1 115 GLU 5.35 2.34 1 116 ALA 3.36 2.88 1 117 VAL 5.75 1.23 1 118 ALA 4.43 3.22 1 119 GLN 3.42 1.81 1 120 LEU 1.90 1.59 1 121 LEU 1.07 0.27 1 122 ASN 1.83 -1.80 1 123 ARG -0.81 -1.97 1 125 ALA -5.80 -3.13 1 126 ARG -3.34 -2.32 1 127 PHE -3.09 -0.89 1 128 TYR -6.25 -1.40 1 130 ALA -6.88 -2.90 1 131 LEU 1.48 0.80 1 133 GLN 5.25 2.15 1 134 ALA 1.60 2.87 1 135 TRP 6.56 1.06 1 136 GLU 4.02 1.82 1 137 GLU 2.86 1.96 1 138 LEU 2.93 0.28 1 139 PHE 5.85 0.69 1 140 ARG 3.32 1.55 1 141 ARG 2.03 0.95 1 142 ALA -0.78 -1.40 1 143 TYR -0.58 -2.02 1 145 GLN -0.46 -1.20 1 stop_ save_