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 bmr25968_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.61 _LACS_plot.Line_1_terminator_val_y_1 -2.57 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.44 _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 5.98 _LACS_plot.Line_2_terminator_val_y_2 4.35 _LACS_plot.Y_axis_chem_shift_offset -0.54 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 156 ALA 5.98 2.30 0 130 GLU 0.80 3.61 0 90 ALA 1.80 -0.76 0 126 GLU -0.64 -2.27 0 86 ILE -4.71 0.50 0 13 ILE -0.62 -2.37 0 10 THR -1.83 -0.42 1 11 SER -4.72 -2.26 1 12 GLU -0.27 0.71 1 17 ARG 2.54 2.99 1 18 LEU 1.96 2.57 1 19 PHE 4.48 4.94 1 20 LYS 3.78 4.14 1 21 ALA 0.20 2.03 1 22 PHE -0.77 0.28 1 23 VAL 3.86 1.66 1 24 LEU 3.96 2.45 1 25 ASP -3.52 -1.02 1 26 ALA 3.65 3.91 1 27 ASP 3.62 2.33 1 28 ASN -0.30 0.76 1 29 LEU 3.42 4.52 1 32 LYS 2.05 2.07 1 33 ILE -0.17 0.67 1 34 ALA -1.58 0.02 1 36 GLN 3.41 1.50 1 37 ALA 0.44 1.23 1 38 ILE -2.62 0.30 1 39 LYS 0.13 1.09 1 40 GLN -2.86 -0.36 1 41 ALA -4.38 -1.48 1 42 GLU -6.61 -2.14 1 43 ILE 2.13 0.92 1 44 LEU 0.51 0.76 1 45 GLU -4.57 -0.84 1 47 ASN -1.43 -0.75 1 52 THR 2.79 2.72 1 53 ILE -2.64 -1.80 1 54 LYS -5.82 -2.20 1 55 LYS -4.57 -1.47 1 56 ILE -1.32 -0.94 1 57 THR -0.30 -0.05 1 58 PHE -1.89 -0.71 1 60 GLU -0.95 0.13 1 62 SER 0.11 0.09 1 63 GLN 1.83 1.15 1 64 TYR -0.84 -0.65 1 66 TYR -4.63 -1.75 1 67 VAL -6.33 -2.62 1 68 LYS -4.21 -0.85 1 69 HIS -5.74 -2.74 1 70 ARG 2.92 1.37 1 71 ILE 0.38 2.08 1 72 ASP -0.94 0.06 1 73 SER -1.67 1.11 1 74 ILE -2.42 -1.24 1 75 ASP 2.81 2.62 1 76 GLU 2.47 1.77 1 77 ALA -1.80 -1.60 1 78 SER 1.99 -0.25 1 79 TYR -3.82 -1.10 1 80 SER -5.91 -1.78 1 81 TYR -3.62 -1.51 1 82 SER -3.11 -1.15 1 83 TYR -1.91 0.36 1 84 THR -0.77 0.61 1 85 LEU -0.88 0.00 1 87 GLU 2.58 2.75 1 89 ASP 0.63 0.96 1 91 LEU -3.35 -1.62 1 92 THR 2.91 2.25 1 93 ASP 0.59 0.67 1 94 THR 0.08 0.30 1 95 ILE -0.63 1.40 1 96 GLU -1.84 -0.27 1 97 LYS -3.28 -0.63 1 98 ILE -2.87 -1.05 1 99 SER -3.75 -0.95 1 100 TYR -4.60 -1.06 1 101 GLU -1.64 0.14 1 102 THR -4.48 -0.99 1 103 LYS -2.33 -1.23 1 104 LEU -5.20 -2.21 1 105 VAL 1.46 1.20 1 106 ALA 0.88 0.76 1 109 SER -3.29 0.88 1 111 SER 0.72 0.78 1 112 THR 0.33 0.26 1 113 ILE -1.91 -1.14 1 114 LYS -2.02 -1.41 1 115 SER -2.60 -0.56 1 116 ILE -4.98 -2.43 1 117 SER -3.34 -1.48 1 118 HIS -1.38 0.30 1 119 TYR -0.87 0.92 1 120 HIS -3.05 -1.51 1 121 THR -1.80 -0.44 1 122 LYS 0.34 -0.06 1 124 ASN -1.67 -0.91 1 125 ILE -2.67 -1.27 1 127 ILE -2.77 -1.34 1 128 LYS 3.35 2.94 1 129 GLU 3.28 2.56 1 131 HIS 1.19 0.10 1 132 VAL 3.74 3.59 1 133 LYS 5.01 3.69 1 134 VAL 3.91 3.41 1 136 LYS 3.22 2.71 1 137 GLU 3.76 3.01 1 138 LYS 3.51 2.65 1 139 ALA 2.19 3.98 1 140 HIS 3.66 2.72 1 142 LEU 5.80 3.87 1 143 PHE 4.20 2.78 1 144 LYS 3.17 3.17 1 145 LEU 5.16 4.07 1 146 ILE 3.27 3.68 1 147 GLU 4.90 4.60 1 149 TYR 3.80 2.45 1 150 LEU 3.98 3.16 1 151 LYS 1.20 0.98 1 152 ASP 1.61 0.26 1 153 HIS 0.21 -0.36 1 155 ASP -0.66 0.09 1 157 TYR -0.56 1.32 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25968_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.61 _LACS_plot.Line_1_terminator_val_y_1 4.04 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.56 _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 5.98 _LACS_plot.Line_2_terminator_val_y_2 -1.63 _LACS_plot.Y_axis_chem_shift_offset -0.54 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 156 ALA 5.98 -3.68 0 130 GLU 0.80 2.81 0 90 ALA 1.80 -2.56 0 126 GLU -0.64 -1.63 0 86 ILE -4.71 5.21 0 13 ILE -0.62 -1.75 0 10 THR -1.83 1.41 1 11 SER -4.72 2.46 1 12 GLU -0.27 0.98 1 17 ARG 2.54 0.45 1 18 LEU 1.96 0.61 1 19 PHE 4.48 0.46 1 20 LYS 3.78 0.36 1 21 ALA 0.20 1.83 1 22 PHE -0.77 1.05 1 23 VAL 3.86 -2.20 1 24 LEU 3.96 -1.51 1 25 ASP -3.52 2.50 1 26 ALA 3.65 0.26 1 27 ASP 3.62 -1.29 1 28 ASN -0.30 1.06 1 29 LEU 3.42 1.10 1 32 LYS 2.05 0.02 1 33 ILE -0.17 0.84 1 34 ALA -1.58 1.60 1 36 GLN 3.41 -1.91 1 37 ALA 0.44 0.79 1 38 ILE -2.62 2.92 1 39 LYS 0.13 0.96 1 40 GLN -2.86 2.50 1 41 ALA -4.38 2.90 1 42 GLU -6.61 4.47 1 43 ILE 2.13 -1.21 1 44 LEU 0.51 0.25 1 45 GLU -4.57 3.73 1 47 ASN -1.43 0.68 1 52 THR 2.79 -0.07 1 53 ILE -2.64 0.84 1 54 LYS -5.82 3.62 1 55 LYS -4.57 3.10 1 56 ILE -1.32 0.38 1 57 THR -0.30 0.25 1 58 PHE -1.89 1.18 1 60 GLU -0.95 1.08 1 62 SER 0.11 -0.02 1 63 GLN 1.83 -0.68 1 64 TYR -0.84 0.19 1 66 TYR -4.63 2.88 1 67 VAL -6.33 3.71 1 68 LYS -4.21 3.36 1 69 HIS -5.74 3.00 1 70 ARG 2.92 -1.55 1 71 ILE 0.38 1.70 1 72 ASP -0.94 1.00 1 73 SER -1.67 2.78 1 74 ILE -2.42 1.18 1 75 ASP 2.81 -0.19 1 76 GLU 2.47 -0.70 1 77 ALA -1.80 0.20 1 78 SER 1.99 -2.24 1 79 TYR -3.82 2.72 1 80 SER -5.91 4.13 1 81 TYR -3.62 2.11 1 82 SER -3.11 1.96 1 83 TYR -1.91 2.27 1 84 THR -0.77 1.38 1 85 LEU -0.88 0.88 1 87 GLU 2.58 0.17 1 89 ASP 0.63 0.33 1 91 LEU -3.35 1.73 1 92 THR 2.91 -0.66 1 93 ASP 0.59 0.08 1 94 THR 0.08 0.22 1 95 ILE -0.63 2.03 1 96 GLU -1.84 1.57 1 97 LYS -3.28 2.65 1 98 ILE -2.87 1.82 1 99 SER -3.75 2.80 1 100 TYR -4.60 3.54 1 101 GLU -1.64 1.78 1 102 THR -4.48 3.49 1 103 LYS -2.33 1.10 1 104 LEU -5.20 2.99 1 105 VAL 1.46 -0.26 1 106 ALA 0.88 -0.12 1 109 SER -3.29 4.17 1 111 SER 0.72 0.06 1 112 THR 0.33 -0.07 1 113 ILE -1.91 0.77 1 114 LYS -2.02 0.61 1 115 SER -2.60 2.04 1 116 ILE -4.98 2.55 1 117 SER -3.34 1.86 1 118 HIS -1.38 1.68 1 119 TYR -0.87 1.79 1 120 HIS -3.05 1.54 1 121 THR -1.80 1.36 1 122 LYS 0.34 -0.40 1 124 ASN -1.67 0.76 1 125 ILE -2.67 1.40 1 127 ILE -2.77 1.43 1 128 LYS 3.35 -0.41 1 129 GLU 3.28 -0.72 1 131 HIS 1.19 -1.09 1 132 VAL 3.74 -0.15 1 133 LYS 5.01 -1.32 1 134 VAL 3.91 -0.50 1 136 LYS 3.22 -0.51 1 137 GLU 3.76 -0.75 1 138 LYS 3.51 -0.86 1 139 ALA 2.19 1.79 1 140 HIS 3.66 -0.94 1 142 LEU 5.80 -1.93 1 143 PHE 4.20 -1.42 1 144 LYS 3.17 0.00 1 145 LEU 5.16 -1.09 1 146 ILE 3.27 0.41 1 147 GLU 4.90 -0.30 1 149 TYR 3.80 -1.35 1 150 LEU 3.98 -0.82 1 151 LYS 1.20 -0.22 1 152 ASP 1.61 -1.35 1 153 HIS 0.21 -0.57 1 155 ASP -0.66 0.75 1 157 TYR -0.56 1.88 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25968_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.61 _LACS_plot.Line_1_terminator_val_y_1 1.00 _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 0.42 _LACS_plot.Line_2_terminator_val_x_2 5.98 _LACS_plot.Line_2_terminator_val_y_2 -0.66 _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 21 ALA 0.20 -1.09 0 10 THR -1.83 0.70 1 11 SER -4.72 0.55 1 12 GLU -0.27 0.05 1 13 ILE -0.62 0.11 1 17 ARG 2.54 0.05 1 18 LEU 1.96 -0.52 1 19 PHE 4.48 -0.80 1 20 LYS 3.78 -0.52 1 22 PHE -0.77 -0.37 1 23 VAL 3.86 -0.88 1 24 LEU 3.96 -0.44 1 25 ASP -3.52 -0.05 1 26 ALA 3.65 -0.59 1 27 ASP 3.62 -0.66 1 28 ASN -0.30 -0.05 1 32 LYS 2.05 -0.17 1 33 ILE -0.17 0.20 1 34 ALA -1.58 0.30 1 36 GLN 3.41 -0.12 1 37 ALA 0.44 0.07 1 38 ILE -2.62 -0.01 1 39 LYS 0.13 0.10 1 40 GLN -2.86 0.09 1 41 ALA -4.38 0.84 1 42 GLU -6.61 0.31 1 43 ILE 2.13 -0.06 1 44 LEU 0.51 0.11 1 45 GLU -4.57 0.25 1 47 ASN -1.43 0.17 1 52 THR 2.79 0.27 1 53 ILE -2.64 1.11 1 54 LYS -5.82 1.00 1 55 LYS -4.57 0.85 1 56 ILE -1.32 0.43 1 57 THR -0.30 0.37 1 58 PHE -1.89 0.35 1 60 GLU -0.95 -0.18 1 62 SER 0.11 -0.01 1 63 GLN 1.83 -0.15 1 64 TYR -0.84 0.19 1 66 TYR -4.63 1.01 1 67 VAL -6.33 0.82 1 68 LYS -4.21 1.36 1 69 HIS -5.74 1.27 1 70 ARG 2.92 -0.20 1 71 ILE 0.38 0.39 1 72 ASP -0.94 0.16 1 73 SER -1.67 0.59 1 74 ILE -2.42 0.44 1 75 ASP 2.81 -1.01 1 76 GLU 2.47 -0.48 1 77 ALA -1.80 -0.12 1 78 SER 1.99 -0.89 1 79 TYR -3.82 1.36 1 80 SER -5.91 0.97 1 81 TYR -3.62 1.06 1 82 SER -3.11 0.83 1 83 TYR -1.91 0.68 1 84 THR -0.77 0.82 1 85 LEU -0.88 0.63 1 86 ILE -4.71 0.17 1 87 GLU 2.58 -0.28 1 89 ASP 0.63 -0.19 1 90 ALA 1.80 0.12 1 91 LEU -3.35 0.38 1 92 THR 2.91 -0.16 1 93 ASP 0.59 0.48 1 94 THR 0.08 0.23 1 95 ILE -0.63 -0.10 1 96 GLU -1.84 0.33 1 97 LYS -3.28 0.75 1 98 ILE -2.87 0.62 1 99 SER -3.75 0.76 1 100 TYR -4.60 0.74 1 101 GLU -1.64 1.19 1 102 THR -4.48 1.24 1 103 LYS -2.33 1.15 1 104 LEU -5.20 0.31 1 105 VAL 1.46 -0.12 1 106 ALA 0.88 0.11 1 109 SER -3.29 0.96 1 111 SER 0.72 0.27 1 112 THR 0.33 0.22 1 113 ILE -1.91 0.58 1 114 LYS -2.02 0.97 1 115 SER -2.60 0.75 1 116 ILE -4.98 0.62 1 117 SER -3.34 0.66 1 118 HIS -1.38 0.06 1 119 TYR -0.87 0.36 1 120 HIS -3.05 1.09 1 121 THR -1.80 0.34 1 122 LYS 0.34 0.11 1 124 ASN -1.67 0.08 1 125 ILE -2.67 -0.29 1 126 GLU -0.64 -0.12 1 127 ILE -2.77 0.20 1 128 LYS 3.35 0.45 1 129 GLU 3.28 0.46 1 130 GLU 0.80 -0.32 1 131 HIS 1.19 -0.07 1 132 VAL 3.74 -0.16 1 133 LYS 5.01 -0.30 1 134 VAL 3.91 -0.20 1 136 LYS 3.22 0.44 1 137 GLU 3.76 -0.23 1 138 LYS 3.51 -0.30 1 139 ALA 2.19 -0.72 1 140 HIS 3.66 -0.19 1 142 LEU 5.80 -0.50 1 143 PHE 4.20 -0.38 1 144 LYS 3.17 -0.18 1 145 LEU 5.16 -0.65 1 146 ILE 3.27 -0.73 1 147 GLU 4.90 -0.17 1 149 TYR 3.80 -0.30 1 150 LEU 3.98 -0.28 1 151 LYS 1.20 -0.21 1 152 ASP 1.61 -0.13 1 153 HIS 0.21 -0.11 1 155 ASP -0.66 -0.12 1 156 ALA 5.98 -0.47 1 157 TYR -0.56 -0.07 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25968_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.61 _LACS_plot.Line_1_terminator_val_y_1 -2.54 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.40 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.02 _LACS_plot.Line_2_terminator_val_x_2 5.98 _LACS_plot.Line_2_terminator_val_y_2 1.85 _LACS_plot.Y_axis_chem_shift_offset 0.29 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 156 ALA 5.98 -2.52 0 10 THR -1.83 -1.30 1 11 SER -4.72 0.72 1 12 GLU -0.27 -1.01 1 17 ARG 2.54 1.28 1 18 LEU 1.96 0.76 1 19 PHE 4.48 2.12 1 20 LYS 3.78 -0.06 1 21 ALA 0.20 -2.45 1 22 PHE -0.77 -1.89 1 23 VAL 3.86 1.33 1 24 LEU 3.96 1.02 1 26 ALA 3.65 0.91 1 27 ASP 3.62 -0.49 1 28 ASN -0.30 1.22 1 32 LYS 2.05 1.62 1 33 ILE -0.17 -0.52 1 36 GLN 3.41 0.19 1 37 ALA 0.44 -0.14 1 38 ILE -2.62 -3.52 1 39 LYS 0.13 0.41 1 40 GLN -2.86 -3.91 1 41 ALA -4.38 -2.24 1 42 GLU -6.61 -1.73 1 43 ILE 2.13 -0.19 1 44 LEU 0.51 -0.39 1 45 GLU -4.57 -1.76 1 47 ASN -1.43 1.00 1 52 THR 2.79 -1.46 1 53 ILE -2.64 -1.09 1 54 LYS -5.82 -2.39 1 55 LYS -4.57 -1.50 1 56 ILE -1.32 -1.81 1 57 THR -0.30 -0.36 1 58 PHE -1.89 -1.14 1 60 GLU -0.95 0.61 1 62 SER 0.11 -0.15 1 63 GLN 1.83 -0.86 1 64 TYR -0.84 -0.07 1 66 TYR -4.63 -1.56 1 67 VAL -6.33 -0.82 1 68 LYS -4.21 -1.06 1 69 HIS -5.74 -0.33 1 70 ARG 2.92 -1.43 1 71 ILE 0.38 -0.07 1 72 ASP -0.94 -2.45 1 73 SER -1.67 -2.37 1 74 ILE -2.42 -0.91 1 75 ASP 2.81 1.09 1 76 GLU 2.47 0.35 1 77 ALA -1.80 -1.59 1 78 SER 1.99 -2.02 1 79 TYR -3.82 -1.41 1 80 SER -5.91 -2.18 1 81 TYR -3.62 -1.67 1 82 SER -3.11 -3.48 1 83 TYR -1.91 -1.22 1 84 THR -0.77 -2.70 1 85 LEU -0.88 -0.07 1 86 ILE -4.71 -2.79 1 87 GLU 2.58 0.16 1 89 ASP 0.63 -0.46 1 90 ALA 1.80 -0.45 1 91 LEU -3.35 -0.39 1 92 THR 2.91 0.90 1 93 ASP 0.59 -0.79 1 94 THR 0.08 -2.09 1 95 ILE -0.63 -0.23 1 96 GLU -1.84 -3.26 1 97 LYS -3.28 -1.87 1 98 ILE -2.87 -2.84 1 99 SER -3.75 0.42 1 100 TYR -4.60 -1.15 1 101 GLU -1.64 -1.56 1 102 THR -4.48 -1.87 1 103 LYS -2.33 -2.05 1 104 LEU -5.20 -1.05 1 105 VAL 1.46 -0.42 1 106 ALA 0.88 -1.39 1 109 SER -3.29 -1.44 1 111 SER 0.72 -1.63 1 112 THR 0.33 -1.77 1 113 ILE -1.91 -1.47 1 114 LYS -2.02 -0.92 1 115 SER -2.60 -1.25 1 116 ILE -4.98 -1.85 1 117 SER -3.34 0.00 1 118 HIS -1.38 -1.07 1 119 TYR -0.87 1.51 1 120 HIS -3.05 -0.10 1 121 THR -1.80 0.00 1 122 LYS 0.34 -0.53 1 124 ASN -1.67 -1.99 1 125 ILE -0.64 -1.67 1 127 ILE -2.77 0.61 1 128 LYS 3.35 2.11 1 129 GLU 3.28 1.11 1 130 GLU 0.80 3.63 1 131 HIS 1.19 1.12 1 132 VAL 3.74 1.31 1 133 LYS 5.01 2.23 1 134 VAL 3.91 1.82 1 136 LYS 3.22 3.73 1 137 GLU 3.76 2.83 1 138 LYS 3.51 1.93 1 139 ALA 2.19 3.66 1 140 HIS 3.66 0.98 1 142 LEU 5.80 2.07 1 143 PHE 4.20 2.82 1 144 LYS 3.17 2.57 1 145 LEU 5.16 0.64 1 146 ILE 3.27 1.38 1 147 GLU 4.90 2.99 1 149 TYR 3.80 2.32 1 150 LEU 3.98 1.65 1 151 LYS 1.20 -0.73 1 152 ASP 0.21 -0.02 1 155 ASP -0.66 -0.08 1 stop_ save_