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 bmr27040_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.50 _LACS_plot.Line_1_terminator_val_y_1 -2.11 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.75 _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 6.43 _LACS_plot.Line_2_terminator_val_y_2 4.84 _LACS_plot.Y_axis_chem_shift_offset -0.22 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 78 ASN 1.94 -2.31 0 10 THR -2.80 -0.94 1 11 SER -3.93 -2.16 1 12 VAL 0.85 -0.32 1 13 ILE -1.45 -3.45 1 15 ALA 2.48 3.01 1 16 ALA 3.02 2.70 1 17 ARG 3.30 2.91 1 18 LEU 3.43 2.59 1 19 PHE 4.81 4.93 1 20 LYS 3.71 3.89 1 21 ALA -0.60 1.93 1 22 PHE -2.56 -1.30 1 23 ILE 2.48 -1.50 1 24 LEU 5.34 2.75 1 25 ASP -3.70 -1.61 1 27 ASP 3.64 2.52 1 28 ASN -0.93 0.66 1 29 LEU 2.18 2.52 1 30 VAL 2.34 2.21 1 32 LYS -0.42 -0.92 1 33 VAL -0.73 -0.30 1 34 ALA 3.21 0.59 1 36 GLN -2.59 0.37 1 37 ALA -4.43 -2.04 1 38 ILE 1.14 1.30 1 39 SER -0.72 -0.24 1 40 SER -2.71 -0.70 1 41 VAL -6.50 -2.56 1 42 GLU 1.18 0.54 1 43 ASN 1.69 1.08 1 44 ILE -3.69 -0.47 1 45 GLU -1.47 -0.60 1 47 ASN 2.75 2.69 1 52 THR -2.26 -2.35 1 53 ILE -5.10 -2.13 1 54 LYS -4.54 -1.39 1 55 LYS -0.06 -0.55 1 56 ILE -2.33 -0.45 1 57 ASN 0.83 0.82 1 58 PHE 1.78 1.58 1 60 GLU 1.08 1.70 1 62 PHE -5.22 -4.06 1 64 PHE 1.47 2.37 1 65 LYS -3.46 -1.11 1 66 TYR -5.14 -1.67 1 67 VAL -3.89 -0.87 1 68 LYS -3.85 -4.00 1 69 ASP -5.84 -2.55 1 70 ARG 2.77 1.86 1 71 VAL -0.18 2.03 1 72 ASP -3.87 0.27 1 73 GLU -1.38 0.11 1 74 VAL -3.53 -1.88 1 75 ASP 1.97 4.14 1 76 HIS 3.90 2.93 1 77 THR -1.22 -0.82 1 79 PHE -5.46 -1.62 1 80 LYS -5.76 -0.33 1 81 TYR -2.93 -1.50 1 82 ASN -2.81 -1.29 1 83 TYR -3.17 -0.84 1 84 SER 1.06 0.23 1 85 VAL -1.87 -0.09 1 86 ILE -4.13 0.58 1 87 GLU 0.87 1.49 1 93 ASP 0.10 -0.06 1 94 THR -4.05 -1.15 1 95 LEU 0.29 1.36 1 96 GLU -1.84 -0.25 1 97 LYS -3.26 -0.44 1 98 ILE -0.73 -0.06 1 99 SER -4.63 -0.64 1 100 ASN -5.31 -1.02 1 101 GLU -2.34 -0.30 1 102 ILE -4.01 -0.95 1 103 LYS 0.65 0.51 1 104 ILE -2.89 -1.03 1 105 VAL -0.20 0.92 1 106 ALA 0.68 -0.80 1 107 THR 0.59 -0.14 1 109 ASP -4.55 -1.92 1 113 VAL 0.25 0.69 1 114 LEU -0.66 -0.72 1 115 LYS -3.72 -1.03 1 116 ILE -3.07 -2.04 1 117 SER -5.17 -0.90 1 118 ASN -1.35 -0.78 1 119 LYS -0.68 0.42 1 120 TYR -0.67 0.17 1 121 HIS -2.23 -1.45 1 122 THR -1.35 -0.51 1 123 LYS 0.02 -0.61 1 125 ASN 1.12 3.27 1 126 HIS -3.57 -1.92 1 127 GLU 0.97 0.07 1 128 VAL -0.05 -0.53 1 129 LYS 4.00 2.99 1 130 ALA 4.09 3.07 1 131 GLU 3.54 2.61 1 132 GLN 4.75 3.41 1 133 VAL 3.49 3.39 1 134 LYS 3.49 2.57 1 135 ALA 3.84 3.33 1 137 LYS 3.17 2.73 1 138 GLU 3.96 3.62 1 139 MET 3.87 3.41 1 141 GLU 6.43 5.08 1 142 THR 3.61 3.04 1 143 LEU 3.46 2.86 1 144 LEU 4.28 1.62 1 145 ARG 3.58 2.70 1 146 ALA 6.44 4.90 1 147 VAL 2.31 4.07 1 148 GLU 4.36 4.48 1 150 TYR 3.51 2.25 1 151 LEU 2.33 2.12 1 152 LEU 0.34 0.33 1 153 ALA 0.47 -1.14 1 154 HIS 4.03 3.25 1 155 SER 0.04 -0.47 1 156 ASP -0.86 0.05 1 157 ALA 5.98 2.23 1 158 TYR -0.45 1.25 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27040_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.50 _LACS_plot.Line_1_terminator_val_y_1 4.39 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.25 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.97 _LACS_plot.Line_2_terminator_val_x_2 6.43 _LACS_plot.Line_2_terminator_val_y_2 -1.59 _LACS_plot.Y_axis_chem_shift_offset -0.22 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 78 ASN 1.94 -4.25 0 10 THR -2.80 1.86 1 11 SER -3.93 1.77 1 12 VAL 0.85 -1.17 1 13 ILE -1.45 -2.00 1 15 ALA 2.48 0.53 1 16 ALA 3.02 -0.32 1 17 ARG 3.30 -0.39 1 18 LEU 3.43 -0.84 1 19 PHE 4.81 0.12 1 20 LYS 3.71 0.18 1 21 ALA -0.60 2.53 1 22 PHE -2.56 1.26 1 23 ILE 2.48 -3.98 1 24 LEU 5.34 -2.59 1 25 ASP -3.70 2.09 1 27 ASP 3.64 -1.12 1 28 ASN -0.93 1.59 1 29 LEU 2.18 0.34 1 30 VAL 2.34 -0.13 1 32 LYS -0.42 -0.50 1 33 VAL -0.73 0.43 1 34 ALA 3.21 -2.62 1 36 GLN -2.59 2.96 1 37 ALA -4.43 2.39 1 38 ILE 1.14 0.16 1 39 SER -0.72 0.48 1 40 SER -2.71 2.01 1 41 VAL -6.50 3.94 1 42 GLU 1.18 -0.64 1 43 ASN 1.69 -0.61 1 44 ILE -3.69 3.22 1 45 GLU -1.47 0.87 1 47 ASN 2.75 -0.06 1 52 THR -2.26 -0.09 1 53 ILE -5.10 2.97 1 54 LYS -4.54 3.15 1 55 LYS -0.06 -0.49 1 56 ILE -2.33 1.88 1 57 ASN 0.83 -0.01 1 58 PHE 1.78 -0.20 1 60 GLU 1.08 0.62 1 62 PHE -5.22 1.16 1 64 PHE 1.47 0.90 1 65 LYS -3.46 2.35 1 66 TYR -5.14 3.47 1 67 VAL -3.89 3.02 1 68 LYS -3.85 -0.15 1 69 ASP -5.84 3.29 1 70 ARG 2.77 -0.91 1 71 VAL -0.18 2.21 1 72 ASP -3.87 4.14 1 73 GLU -1.38 1.49 1 74 VAL -3.53 1.65 1 75 ASP 1.97 2.17 1 76 HIS 3.90 -0.97 1 77 THR -1.22 0.40 1 79 PHE -5.46 3.84 1 80 LYS -5.76 5.43 1 81 TYR -2.93 1.43 1 82 ASN -2.81 1.52 1 83 TYR -3.17 2.33 1 84 SER 1.06 -0.83 1 85 VAL -1.87 1.78 1 86 ILE -4.13 4.71 1 87 GLU 0.87 0.62 1 93 ASP 0.10 -0.16 1 94 THR -4.05 2.90 1 95 LEU 0.29 1.07 1 96 GLU -1.84 1.59 1 97 LYS -3.26 2.82 1 98 ILE -0.73 0.67 1 99 SER -4.63 3.99 1 100 ASN -5.31 4.29 1 101 GLU -2.34 2.04 1 102 ILE -4.01 3.06 1 103 LYS 0.65 -0.14 1 104 ILE -2.89 1.86 1 105 VAL -0.20 1.12 1 106 ALA 0.68 -1.48 1 107 THR 0.59 -0.73 1 109 ASP -4.55 2.63 1 113 VAL 0.25 0.44 1 114 LEU -0.66 -0.06 1 115 LYS -3.72 2.69 1 116 ILE -3.07 1.03 1 117 SER -5.17 4.27 1 118 ASN -1.35 0.57 1 119 LYS -0.68 1.10 1 120 TYR -0.67 0.84 1 121 HIS -2.23 0.78 1 122 THR -1.35 0.84 1 123 LYS 0.02 -0.63 1 125 ASN 1.12 2.15 1 126 HIS -3.57 1.65 1 127 GLU 0.97 -0.90 1 128 VAL -0.05 -0.48 1 129 LYS 4.00 -1.01 1 130 ALA 4.09 -1.02 1 131 GLU 3.54 -0.93 1 132 GLN 4.75 -1.34 1 133 VAL 3.49 -0.10 1 134 LYS 3.49 -0.92 1 135 ALA 3.84 -0.51 1 137 LYS 3.17 -0.44 1 138 GLU 3.96 -0.34 1 139 MET 3.87 -0.46 1 141 GLU 6.43 -1.35 1 142 THR 3.61 -0.57 1 143 LEU 3.46 -0.60 1 144 LEU 4.28 -2.66 1 145 ARG 3.58 -0.88 1 146 ALA 6.44 -1.54 1 147 VAL 2.31 1.76 1 148 GLU 4.36 0.12 1 150 TYR 3.51 -1.26 1 151 LEU 2.33 -0.21 1 152 LEU 0.34 -0.01 1 153 ALA 0.47 -1.61 1 154 HIS 4.03 -0.78 1 155 SER 0.04 -0.51 1 156 ASP -0.86 0.91 1 157 ALA 5.98 -3.75 1 158 TYR -0.45 1.70 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27040_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.50 _LACS_plot.Line_1_terminator_val_y_1 1.05 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.12 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.45 _LACS_plot.Line_2_terminator_val_x_2 6.43 _LACS_plot.Line_2_terminator_val_y_2 -0.72 _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 21 ALA -0.60 -1.28 0 10 THR -2.80 0.75 1 11 SER -3.93 0.55 1 12 VAL 0.85 0.26 1 13 ILE -1.45 -0.10 1 15 ALA 2.48 -0.42 1 16 ALA 3.02 -0.05 1 17 ARG 3.30 -0.21 1 18 LEU 3.43 -0.55 1 19 PHE 4.81 -0.83 1 20 LYS 3.71 -0.58 1 22 PHE -2.56 -0.51 1 23 ILE 2.48 -0.57 1 24 LEU 5.34 -0.55 1 25 ASP -3.70 0.88 1 27 ASP 3.64 -0.94 1 28 ASN -0.93 -0.10 1 29 LEU 2.18 -0.32 1 32 LYS 2.34 -0.20 1 33 VAL -0.42 0.33 1 34 ALA -0.73 0.51 1 36 GLN 3.21 -0.01 1 37 ALA -2.59 0.34 1 38 ILE -4.43 -0.06 1 39 SER 1.14 0.09 1 40 SER -0.72 -0.14 1 41 VAL -2.71 0.57 1 42 GLU -6.50 0.29 1 43 ASN 1.18 0.23 1 44 ILE 1.69 -0.04 1 45 GLU -3.69 0.20 1 47 ASN -1.47 0.24 1 52 THR 2.75 0.19 1 53 ILE -2.26 0.92 1 54 LYS -5.10 0.90 1 55 LYS -4.54 0.67 1 56 ILE -0.06 0.00 1 57 ASN -2.33 0.39 1 58 PHE 0.83 -0.72 1 60 GLU 1.78 -0.21 1 62 PHE 1.08 -0.28 1 64 PHE -5.22 0.46 1 65 LYS 1.47 0.44 1 66 TYR -3.46 1.43 1 67 VAL -5.14 0.72 1 68 LYS -3.89 1.32 1 69 ASP -3.85 1.34 1 70 ARG -5.84 1.17 1 71 VAL 2.77 -0.46 1 72 ASP -0.18 0.32 1 73 GLU -3.87 0.19 1 74 VAL -1.38 0.64 1 75 ASP -3.53 0.57 1 76 HIS 1.97 0.08 1 77 THR 3.90 -0.37 1 78 ASN -1.22 -0.42 1 79 PHE 1.94 -0.71 1 80 LYS -5.46 1.31 1 81 TYR -5.76 0.68 1 82 ASN -2.93 1.15 1 83 TYR -2.81 0.82 1 84 SER -3.17 1.15 1 85 VAL 1.06 0.55 1 86 ILE -1.87 0.71 1 87 GLU -4.13 -0.11 1 93 ASP 0.87 0.06 1 94 THR 0.10 0.48 1 95 LEU -4.05 0.67 1 96 GLU 0.29 -0.06 1 97 LYS -1.84 0.39 1 98 ILE -3.26 0.84 1 99 SER -0.73 0.49 1 100 ASN -4.63 1.15 1 101 GLU -5.31 0.84 1 102 ILE -2.34 0.71 1 103 LYS -4.01 1.12 1 104 ILE 0.65 0.83 1 105 VAL -2.89 0.30 1 106 ALA -0.20 0.33 1 107 THR 0.68 0.43 1 109 ASP 0.59 -0.10 1 113 VAL -4.55 0.64 1 114 LEU 0.25 0.80 1 115 LYS -0.66 0.59 1 116 ILE -3.72 1.03 1 117 SER -3.07 0.99 1 118 ASN -5.17 0.60 1 119 LYS -1.35 0.89 1 120 TYR -0.68 -0.08 1 121 HIS -0.67 0.45 1 122 THR -2.23 0.67 1 123 LYS -1.35 0.23 1 125 ASN 0.02 0.18 1 126 HIS 1.12 -0.04 1 127 GLU -3.57 0.09 1 128 VAL 0.97 -0.33 1 129 LYS -0.05 0.01 1 130 ALA 4.00 0.49 1 131 GLU 4.09 -0.34 1 132 GLN 3.54 -0.21 1 133 VAL 4.75 -0.64 1 134 LYS 3.49 -0.32 1 135 ALA 3.49 -0.14 1 137 LYS 3.84 -0.21 1 138 GLU 3.17 -0.23 1 139 MET 3.96 -0.37 1 141 GLU 3.87 -0.29 1 142 THR 6.43 -0.46 1 143 LEU 3.61 -0.44 1 144 LEU 3.46 -0.97 1 145 ARG 4.28 -0.20 1 146 ALA 3.58 -0.29 1 147 VAL 6.44 -0.63 1 148 GLU 2.31 -0.70 1 150 TYR 4.36 -0.53 1 151 LEU 3.51 -0.28 1 152 LEU 2.33 -0.21 1 153 ALA 0.34 -0.12 1 154 HIS 0.47 0.03 1 155 SER 4.03 -0.25 1 156 ASP 0.04 -0.07 1 157 ALA -0.86 -0.08 1 158 TYR 5.98 -0.47 1 159 ASN -0.45 -0.05 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27040_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.50 _LACS_plot.Line_1_terminator_val_y_1 -2.51 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.60 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.89 _LACS_plot.Line_2_terminator_val_x_2 6.43 _LACS_plot.Line_2_terminator_val_y_2 2.19 _LACS_plot.Y_axis_chem_shift_offset 0.15 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 158 TYR 5.98 -2.40 0 10 THR -2.80 -0.99 1 11 SER -3.93 0.01 1 12 VAL 0.85 -0.31 1 15 ALA 2.48 0.40 1 16 ALA 3.02 2.18 1 17 ARG 3.30 0.95 1 18 LEU 3.43 1.17 1 19 PHE 4.81 1.63 1 20 LYS 3.71 0.28 1 21 ALA -0.60 -2.78 1 23 ILE 2.48 2.35 1 24 LEU 5.34 1.17 1 25 ASP -3.70 2.01 1 27 ASP 3.64 -0.32 1 28 ASN -0.93 1.71 1 29 LEU 2.18 0.84 1 32 LYS 2.34 2.40 1 33 VAL -0.42 -0.48 1 36 GLN 3.21 -0.92 1 37 ALA -2.59 -3.36 1 38 ILE -4.43 -2.60 1 39 SER 1.14 1.25 1 40 SER -0.72 -3.31 1 41 VAL -2.71 -1.68 1 42 GLU -6.50 -1.46 1 43 ASN 1.18 -0.10 1 44 ILE 1.69 0.01 1 45 GLU -3.69 -1.23 1 47 ASN -1.47 0.89 1 52 THR 2.75 -1.55 1 53 ILE -2.26 -1.45 1 54 LYS -5.10 -2.00 1 55 LYS -4.54 -2.93 1 56 ILE -0.06 -2.75 1 57 ASN -2.33 -0.59 1 60 GLU 1.78 0.81 1 64 PHE -5.22 -0.71 1 65 LYS 1.47 1.22 1 66 TYR -3.46 -1.07 1 67 VAL -5.14 -1.12 1 68 LYS -3.89 -2.04 1 69 ASP -3.85 -2.90 1 70 ARG -5.84 -0.45 1 71 VAL 2.77 -1.32 1 72 ASP -0.18 -0.23 1 73 GLU -3.87 -2.86 1 74 VAL -1.38 -2.42 1 75 ASP -3.53 0.38 1 76 HIS 1.97 2.35 1 77 THR 3.90 -0.49 1 78 ASN -1.22 -2.45 1 79 PHE 1.94 -2.63 1 80 LYS -5.46 -1.88 1 81 TYR -5.76 -3.08 1 82 ASN -2.93 -0.98 1 83 TYR -2.81 -2.60 1 84 SER -3.17 -1.02 1 85 VAL 1.06 0.67 1 86 ILE -1.87 -0.24 1 87 GLU -4.13 -2.44 1 93 ASP 0.87 -0.79 1 94 THR 0.10 -0.09 1 95 LEU -4.05 -2.29 1 96 GLU 0.29 -0.55 1 97 LYS -1.84 -2.47 1 98 ILE -3.26 -0.22 1 99 SER -0.73 -1.41 1 100 ASN -4.63 -0.92 1 101 GLU -5.31 -1.93 1 102 ILE -2.34 -1.67 1 103 LYS -4.01 -1.89 1 104 ILE 0.65 -1.37 1 105 VAL -2.89 -1.00 1 106 ALA -0.20 0.36 1 109 ASP 0.59 0.24 1 113 VAL -4.55 -2.60 1 114 LEU 0.25 -2.70 1 115 LYS -0.66 -0.68 1 116 ILE -3.72 -1.39 1 117 SER -3.07 -0.36 1 118 ASN -5.17 -2.41 1 119 LYS -1.35 -1.66 1 120 TYR -0.68 -1.06 1 121 HIS -0.67 1.69 1 122 THR -2.23 0.23 1 123 LYS -1.35 -0.06 1 125 ASN 0.02 0.50 1 126 HIS 1.12 1.46 1 127 GLU -3.57 -0.63 1 128 VAL 0.97 -0.67 1 129 LYS -0.05 1.29 1 130 ALA 4.00 2.61 1 131 GLU 4.09 2.64 1 132 GLN 3.54 2.12 1 133 VAL 4.75 2.62 1 134 LYS 3.49 1.49 1 137 LYS 3.84 2.68 1 138 GLU 3.17 3.03 1 139 MET 3.96 2.06 1 141 GLU 3.87 1.63 1 142 THR 6.43 2.77 1 143 LEU 3.61 -0.13 1 144 LEU 3.46 0.86 1 145 ARG 4.28 3.13 1 146 ALA 3.58 3.04 1 147 VAL 6.44 0.83 1 148 GLU 2.31 0.85 1 150 TYR 4.36 2.57 1 151 LEU 3.51 2.17 1 152 LEU 2.33 0.88 1 153 ALA 0.34 -0.76 1 154 HIS 0.47 1.12 1 155 SER 4.03 -0.54 1 156 ASP 0.04 -0.10 1 157 ALA -0.86 0.09 1 stop_ save_