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 bmr16240_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.70 _LACS_plot.Line_1_terminator_val_y_1 -2.48 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.77 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.52 _LACS_plot.Line_2_terminator_val_x_2 6.42 _LACS_plot.Line_2_terminator_val_y_2 5.03 _LACS_plot.Y_axis_chem_shift_offset -0.03 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 46 GLU 6.42 5.79 0 36 HIS 2.13 4.58 0 10 SER -1.69 -1.85 1 11 LEU -6.45 -1.46 1 12 ALA -4.34 -2.30 1 13 TYR -4.10 -1.45 1 14 GLN -3.69 0.01 1 15 VAL -3.06 -2.48 1 16 ARG -6.35 -2.36 1 17 THR -1.08 -0.66 1 18 GLU 3.61 3.29 1 19 ASP 0.34 -0.56 1 21 VAL 2.26 1.13 1 22 LEU 0.74 0.73 1 23 VAL 0.07 0.19 1 24 ASP -2.86 -0.32 1 25 GLU -4.52 -1.09 1 26 SER -2.34 -0.44 1 28 VAL 4.76 3.63 1 29 SER 0.81 0.34 1 30 ALA 0.10 0.33 1 32 LEU -1.76 -0.21 1 33 ASP -2.48 -1.50 1 34 TYR -5.16 -1.88 1 35 LEU -2.39 -2.09 1 38 HIS -0.69 1.14 1 40 SER 2.38 2.53 1 41 LEU -4.26 -2.71 1 42 ILE 1.76 1.29 1 43 SER 5.48 3.76 1 45 LEU 1.36 1.35 1 47 THR 4.88 4.03 1 48 ALA 0.97 1.45 1 49 LEU 1.05 2.29 1 50 GLU 2.36 2.35 1 52 HIS 2.75 2.70 1 53 GLU -5.55 -1.81 1 54 VAL 5.08 3.63 1 56 ASP 1.84 1.57 1 57 LYS -3.41 -1.00 1 58 PHE -1.22 -1.56 1 59 ASP -4.35 -1.50 1 60 VAL -3.36 -0.75 1 61 ALA -1.84 -1.36 1 62 VAL -2.74 -1.06 1 64 ALA 4.10 3.33 1 65 ASN 4.24 3.04 1 66 ASP -1.45 -0.47 1 67 ALA -1.21 -1.67 1 68 TYR 3.40 1.68 1 70 GLN -0.36 -0.81 1 71 TYR 1.84 1.99 1 72 ASP -3.01 -1.72 1 73 GLU 3.29 2.66 1 74 ASN 2.76 1.87 1 75 LEU -0.20 -1.15 1 76 VAL 0.69 -0.44 1 77 GLN -5.49 -1.56 1 78 ARG -0.73 -0.49 1 79 VAL -3.67 -1.38 1 81 LYS 4.09 3.69 1 82 ASP 2.21 1.00 1 83 VAL 3.20 1.75 1 84 PHE 0.03 -0.62 1 85 MET 1.25 1.05 1 87 VAL 0.07 -0.44 1 88 ASP 0.96 1.31 1 89 GLU -1.71 -1.09 1 90 LEU -0.51 -0.21 1 91 GLN -5.36 -2.06 1 92 VAL 3.82 2.69 1 94 MET 0.31 1.05 1 95 ARG -2.85 -1.11 1 96 PHE -4.56 -1.77 1 98 ALA -4.18 -1.83 1 99 GLU 0.48 0.16 1 100 THR -5.55 -1.40 1 101 ASP 3.77 2.56 1 102 GLN -0.37 -0.50 1 105 VAL -0.71 -1.54 1 107 VAL -6.68 -3.13 1 108 GLU -6.70 -2.65 1 109 ILE 2.38 0.66 1 110 THR 1.13 0.28 1 111 ALA -1.52 0.83 1 112 VAL 0.38 0.81 1 113 GLU -5.98 -2.55 1 114 ASP -0.51 2.03 1 115 ASP -1.72 -0.85 1 116 HIS -3.19 1.14 1 117 VAL -4.28 -2.60 1 118 VAL 0.82 0.00 1 119 VAL -4.92 -3.87 1 120 ASP -4.67 -1.19 1 122 ASN 0.49 1.79 1 123 HIS 1.81 3.95 1 124 MET 3.75 3.55 1 125 LEU -0.33 -1.59 1 126 ALA 2.22 1.76 1 128 GLN 1.03 -0.73 1 129 ASN 0.49 -0.40 1 130 LEU -5.82 -1.46 1 131 LYS -2.16 -1.00 1 132 PHE -3.73 -0.94 1 133 ASN -1.70 0.85 1 134 VAL -3.68 -1.69 1 135 GLU -5.46 -2.34 1 136 VAL 3.19 0.81 1 137 VAL 1.64 2.38 1 138 ALA -3.09 -0.11 1 139 ILE -4.05 0.48 1 140 ARG -3.69 -1.79 1 141 GLU 0.18 0.48 1 142 ALA -3.40 -1.36 1 143 THR -2.19 -1.29 1 144 GLU 3.92 3.60 1 145 GLU 3.61 3.29 1 146 GLU 2.98 2.66 1 147 LEU 3.55 2.29 1 148 ALA 3.47 2.39 1 149 HIS -0.69 0.83 1 151 HIS -3.19 -0.42 1 152 VAL 0.08 -0.12 1 153 HIS 3.07 4.59 1 155 ALA 0.03 0.20 1 156 HIS -0.19 0.78 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr16240_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.70 _LACS_plot.Line_1_terminator_val_y_1 4.22 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.23 _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 6.42 _LACS_plot.Line_2_terminator_val_y_2 -1.39 _LACS_plot.Y_axis_chem_shift_offset -0.03 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 46 GLU 6.42 -0.63 0 36 HIS 2.13 2.45 0 10 SER -1.69 -0.16 1 11 LEU -6.45 4.99 1 12 ALA -4.34 2.04 1 13 TYR -4.10 2.65 1 14 GLN -3.69 3.70 1 15 VAL -3.06 0.58 1 16 ARG -6.35 3.99 1 17 THR -1.08 0.42 1 18 GLU 3.61 -0.32 1 19 ASP 0.34 -0.90 1 21 VAL 2.26 -1.13 1 22 LEU 0.74 -0.01 1 23 VAL 0.07 0.12 1 24 ASP -2.86 2.54 1 25 GLU -4.52 3.43 1 26 SER -2.34 1.90 1 28 VAL 4.76 -1.13 1 29 SER 0.81 -0.47 1 30 ALA 0.10 0.23 1 32 LEU -1.76 1.55 1 33 ASP -2.48 0.98 1 34 TYR -5.16 3.28 1 35 LEU -2.39 0.30 1 38 HIS -0.69 1.83 1 40 SER 2.38 0.15 1 41 LEU -4.26 1.55 1 42 ILE 1.76 -0.47 1 43 SER 5.48 -1.72 1 45 LEU 1.36 -0.01 1 47 THR 4.88 -0.85 1 48 ALA 0.97 0.48 1 49 LEU 1.05 1.24 1 50 GLU 2.36 -0.01 1 52 HIS 2.75 -0.05 1 53 GLU -5.55 3.74 1 54 VAL 5.08 -1.45 1 56 ASP 1.84 -0.27 1 57 LYS -3.41 2.41 1 58 PHE -1.22 -0.34 1 59 ASP -4.35 2.85 1 60 VAL -3.36 2.61 1 61 ALA -1.84 0.48 1 62 VAL -2.74 1.68 1 64 ALA 4.10 -0.77 1 65 ASN 4.24 -1.20 1 66 ASP -1.45 0.98 1 67 ALA -1.21 -0.46 1 68 TYR 3.40 -1.72 1 70 GLN -0.36 -0.45 1 71 TYR 1.84 0.15 1 72 ASP -3.01 1.29 1 73 GLU 3.29 -0.63 1 74 ASN 2.76 -0.89 1 75 LEU -0.20 -0.95 1 76 VAL 0.69 -1.13 1 77 GLN -5.49 3.93 1 78 ARG -0.73 0.24 1 79 VAL -3.67 2.29 1 81 LYS 4.09 -0.40 1 82 ASP 2.21 -1.21 1 83 VAL 3.20 -1.45 1 84 PHE 0.03 -0.65 1 85 MET 1.25 -0.20 1 87 VAL 0.07 -0.51 1 88 ASP 0.96 0.35 1 89 GLU -1.71 0.62 1 90 LEU -0.51 0.30 1 91 GLN -5.36 3.30 1 92 VAL 3.82 -1.13 1 94 MET 0.31 0.74 1 95 ARG -2.85 1.74 1 96 PHE -4.56 2.79 1 98 ALA -4.18 2.35 1 99 GLU 0.48 -0.32 1 100 THR -5.55 4.15 1 101 ASP 3.77 -1.21 1 102 GLN -0.37 -0.13 1 105 VAL -0.71 -0.83 1 107 VAL -6.68 3.55 1 108 GLU -6.70 4.05 1 109 ILE 2.38 -1.72 1 110 THR 1.13 -0.85 1 111 ALA -1.52 2.35 1 112 VAL 0.38 0.43 1 113 GLU -5.98 3.43 1 114 ASP -0.51 2.54 1 115 ASP -1.72 0.87 1 116 HIS -3.19 4.33 1 117 VAL -4.28 1.68 1 118 VAL 0.82 -0.82 1 119 VAL -4.92 1.05 1 120 ASP -4.67 3.48 1 122 ASN 0.49 1.30 1 123 HIS 1.81 2.14 1 124 MET 3.75 -0.20 1 125 LEU -0.33 -1.26 1 126 ALA 2.22 -0.46 1 128 GLN 1.03 -1.76 1 129 ASN 0.49 -0.89 1 130 LEU -5.82 4.36 1 131 LYS -2.16 1.16 1 132 PHE -3.73 2.79 1 133 ASN -1.70 2.55 1 134 VAL -3.68 1.99 1 135 GLU -5.46 3.12 1 136 VAL 3.19 -2.38 1 137 VAL 1.64 0.74 1 138 ALA -3.09 2.98 1 139 ILE -4.05 4.53 1 140 ARG -3.69 1.90 1 141 GLU 0.18 0.30 1 142 ALA -3.40 2.04 1 143 THR -2.19 0.90 1 144 GLU 3.92 -0.32 1 145 GLU 3.61 -0.32 1 146 GLU 2.98 -0.32 1 147 LEU 3.55 -1.26 1 148 ALA 3.47 -1.08 1 149 HIS -0.69 1.52 1 151 HIS -3.19 2.77 1 152 VAL 0.08 -0.20 1 153 HIS 3.07 1.52 1 155 ALA 0.03 0.17 1 156 HIS -0.19 0.97 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr16240_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.70 _LACS_plot.Line_1_terminator_val_y_1 0.74 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.22 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.20 _LACS_plot.Line_2_terminator_val_x_2 6.42 _LACS_plot.Line_2_terminator_val_y_2 -0.67 _LACS_plot.Y_axis_chem_shift_offset 0.00 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 33 ASP -2.48 1.37 0 10 SER -1.69 1.35 0 11 LEU -6.45 0.87 1 12 ALA -4.34 0.59 1 13 TYR -4.10 1.34 1 14 GLN -3.69 0.23 1 15 VAL -3.06 0.59 1 16 ARG -6.35 1.32 1 17 THR -1.08 0.30 1 18 GLU 3.61 -0.47 1 19 ASP 0.34 -0.11 1 21 VAL 2.26 -0.39 1 22 LEU 0.74 0.08 1 23 VAL 0.07 0.18 1 24 ASP -2.86 0.17 1 25 GLU -4.52 0.22 1 26 SER -2.34 0.05 1 28 VAL 4.76 -0.66 1 29 SER 0.81 -0.29 1 30 ALA 0.10 -0.01 1 32 LEU -1.76 0.19 1 34 TYR -5.16 0.20 1 35 LEU -2.39 0.14 1 36 HIS 2.13 -0.26 1 38 HIS -0.69 -0.06 1 40 SER 2.38 -0.10 1 41 LEU -4.26 0.17 1 42 ILE 1.76 -0.31 1 45 LEU 1.36 -0.36 1 46 GLU 6.42 -0.62 1 47 THR 4.88 -0.31 1 48 ALA 0.97 -0.07 1 49 LEU 1.05 -0.36 1 50 GLU 2.36 -1.05 1 52 HIS 2.75 -0.35 1 53 GLU -5.55 0.41 1 54 VAL 5.08 -0.83 1 56 ASP 1.84 -0.04 1 57 LYS -3.41 1.21 1 58 PHE -1.22 0.33 1 59 ASP -4.35 1.18 1 60 VAL -3.36 0.34 1 61 ALA -1.84 0.86 1 62 VAL -2.74 0.19 1 64 ALA 4.10 -0.23 1 65 ASN 4.24 -0.43 1 66 ASP -1.45 0.12 1 67 ALA -1.21 0.06 1 68 TYR 3.40 -0.27 1 70 GLN -0.36 -0.11 1 71 TYR 1.84 -0.70 1 72 ASP -3.01 0.20 1 73 GLU 3.29 -0.34 1 74 ASN 2.76 -0.13 1 75 LEU -0.20 0.03 1 76 VAL 0.69 0.94 1 77 GLN -5.49 0.42 1 78 ARG -0.73 0.84 1 79 VAL -3.67 0.44 1 81 LYS 4.09 -0.45 1 82 ASP 2.21 -0.33 1 83 VAL 3.20 -0.33 1 84 PHE 0.03 -0.15 1 85 MET 1.25 -0.13 1 87 VAL 0.07 0.04 1 88 ASP 0.96 -0.15 1 89 GLU -1.71 -0.03 1 90 LEU -0.51 -0.14 1 91 GLN -5.36 0.28 1 92 VAL 3.82 -0.75 1 94 MET 0.31 -0.16 1 95 ARG -2.85 1.08 1 96 PHE -4.56 0.18 1 98 ALA -4.18 0.43 1 99 GLU 0.48 -0.12 1 100 THR -5.55 0.53 1 101 ASP 3.77 -0.21 1 102 GLN -0.37 0.16 1 105 VAL -0.71 0.31 1 107 VAL -6.68 0.71 1 108 GLU -6.70 0.86 1 109 ILE 2.38 0.38 1 110 THR 1.13 0.27 1 111 ALA -1.52 0.12 1 112 VAL 0.38 0.08 1 113 GLU -5.98 0.36 1 116 HIS -3.19 0.47 1 117 VAL -4.28 0.60 1 118 VAL 0.82 0.69 1 119 VAL -4.92 1.20 1 120 ASP -4.67 0.61 1 122 ASN 0.49 -0.48 1 123 HIS 1.81 -0.64 1 124 MET 3.75 -0.36 1 126 ALA 2.22 -0.28 1 128 GLN 1.03 0.16 1 129 ASN 0.49 0.21 1 130 LEU -5.82 0.65 1 131 LYS -2.16 0.68 1 132 PHE -3.73 0.90 1 133 ASN -1.70 0.60 1 134 VAL -3.68 0.79 1 135 GLU -5.46 0.97 1 136 VAL 3.19 0.02 1 137 VAL 1.64 -0.04 1 138 ALA -3.09 0.26 1 139 ILE -4.05 0.53 1 140 ARG -3.69 0.49 1 141 GLU 0.18 -0.01 1 142 ALA -3.40 0.14 1 143 THR -2.19 0.09 1 144 GLU 3.92 -0.46 1 145 GLU 3.61 -0.38 1 146 GLU 2.98 -0.42 1 147 LEU 3.55 -0.60 1 148 ALA 3.47 -0.29 1 149 HIS -0.69 -0.16 1 151 HIS -3.19 -0.08 1 152 VAL 0.08 -0.09 1 153 HIS 3.07 0.00 1 155 ALA 0.03 -0.14 1 156 HIS -0.19 -0.19 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr16240_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.70 _LACS_plot.Line_1_terminator_val_y_1 -2.24 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.29 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.95 _LACS_plot.Line_2_terminator_val_x_2 6.42 _LACS_plot.Line_2_terminator_val_y_2 1.76 _LACS_plot.Y_axis_chem_shift_offset 0.30 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 16 ARG -6.35 0.40 0 58 PHE -1.22 -4.20 0 35 LEU -2.39 -4.54 0 17 THR -1.08 3.17 0 100 THR -5.55 1.29 0 10 SER -1.69 -0.98 1 11 LEU -6.45 -2.66 1 12 ALA -4.34 -1.21 1 13 TYR -4.10 -1.85 1 14 GLN -3.69 -1.47 1 15 VAL -3.06 -2.82 1 18 GLU 3.61 0.15 1 19 ASP 0.34 -1.74 1 21 VAL 2.26 -0.94 1 22 LEU 0.74 -0.94 1 23 VAL 0.07 -0.95 1 24 ASP -2.86 -3.08 1 25 GLU -4.52 1.00 1 28 VAL 4.76 -0.19 1 29 SER 0.81 0.07 1 32 LEU -1.76 -2.21 1 33 ASP -2.48 -0.36 1 38 HIS -0.69 1.25 1 40 SER 2.38 1.09 1 41 LEU -4.26 -2.01 1 42 ILE 1.76 1.58 1 43 SER 5.48 3.34 1 45 LEU 1.36 -0.76 1 46 GLU 6.42 2.68 1 47 THR 4.88 1.60 1 48 ALA 0.97 0.92 1 49 LEU 1.05 -0.62 1 50 GLU 2.36 0.07 1 52 HIS 2.75 -1.25 1 53 GLU -5.55 -0.33 1 54 VAL 5.08 0.88 1 56 ASP 1.84 -1.32 1 57 LYS -3.41 -2.32 1 59 ASP -4.35 0.04 1 60 VAL -3.36 -3.08 1 61 ALA -1.84 -1.26 1 62 VAL -2.74 -1.52 1 64 ALA 4.10 2.47 1 65 ASN 4.24 0.91 1 66 ASP -1.45 -3.12 1 67 ALA -1.21 -2.03 1 68 TYR 3.40 0.83 1 73 GLU 3.29 1.03 1 74 ASN 2.76 1.05 1 75 LEU -0.20 -1.77 1 76 VAL 0.69 -0.52 1 77 GLN -5.49 -2.38 1 78 ARG -0.73 -0.05 1 81 LYS 4.09 1.25 1 82 ASP 2.21 0.90 1 83 VAL 3.20 -0.59 1 84 PHE 0.03 -0.41 1 85 MET 1.25 0.57 1 87 VAL 0.07 -0.61 1 88 ASP 0.96 -0.25 1 89 GLU -1.71 -1.63 1 90 LEU -0.51 -1.83 1 91 GLN -5.36 -0.60 1 92 VAL 3.82 0.85 1 94 MET 0.31 -1.57 1 95 ARG -2.85 -0.79 1 98 ALA -4.18 -1.33 1 99 GLU 0.48 -0.21 1 101 ASP 3.77 0.57 1 102 GLN -0.37 -0.68 1 107 VAL -6.68 -2.49 1 108 GLU -6.70 -0.07 1 109 ILE 2.38 0.94 1 110 THR 1.13 0.28 1 111 ALA -1.52 -2.82 1 112 VAL 0.38 -1.47 1 113 GLU -5.98 -0.31 1 114 ASP -0.51 -1.57 1 115 ASP -1.72 -0.25 1 116 HIS -3.19 -1.62 1 117 VAL -4.28 -2.35 1 118 VAL 0.82 -0.42 1 119 VAL -4.92 -2.39 1 122 ASN 0.49 0.28 1 123 HIS 1.81 3.27 1 125 LEU -0.33 0.32 1 126 ALA 2.22 1.29 1 128 GLN 1.03 -1.06 1 129 ASN 0.49 -0.07 1 130 LEU -5.82 -1.47 1 131 LYS -2.16 -1.00 1 132 PHE -3.73 0.01 1 133 ASN -1.70 -0.70 1 134 VAL -3.68 -2.70 1 135 GLU -5.46 -0.93 1 136 VAL 3.19 -0.12 1 137 VAL 1.64 -1.01 1 138 ALA -3.09 -3.33 1 139 ILE -4.05 -2.59 1 140 ARG -3.69 -2.08 1 141 GLU 0.18 0.74 1 142 ALA -3.40 0.70 1 143 THR -2.19 0.62 1 144 GLU 3.92 2.91 1 145 GLU 3.61 2.01 1 146 GLU 2.98 2.57 1 147 LEU 3.55 1.81 1 148 ALA 3.47 1.99 1 149 HIS -0.69 2.03 1 151 HIS -3.19 -0.88 1 152 VAL 0.08 -0.40 1 153 HIS 3.07 1.61 1 155 ALA 0.03 -0.09 1 156 HIS -0.19 0.78 1 stop_ save_