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 bmr25590_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.29 _LACS_plot.Line_1_terminator_val_y_1 -2.49 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.02 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.19 _LACS_plot.Line_2_terminator_val_x_2 6.71 _LACS_plot.Line_2_terminator_val_y_2 5.04 _LACS_plot.Y_axis_chem_shift_offset -0.21 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 68 LYS 0.05 5.96 0 10 THR -2.28 -1.14 1 11 THR -0.97 -2.16 1 12 VAL 1.90 0.62 1 13 ILE 1.77 -1.20 1 14 THR 2.67 1.16 1 16 ALA 3.90 2.84 1 17 ARG 3.43 3.20 1 18 LEU 2.99 2.30 1 19 PHE 1.67 5.01 1 20 LYS 4.16 4.22 1 21 ALA 0.97 2.12 1 22 PHE -4.57 -3.11 1 23 VAL 3.52 1.58 1 24 LEU 2.57 2.72 1 25 ASP -2.50 -1.38 1 26 ALA 3.49 3.76 1 27 ASP 3.71 2.75 1 28 ASN -0.53 0.72 1 29 LEU 2.17 2.42 1 30 ILE 2.23 1.90 1 32 LYS 0.17 -0.42 1 33 VAL -0.85 -0.27 1 34 ALA 3.50 1.41 1 36 GLN -0.02 1.23 1 37 ALA -1.93 -1.23 1 38 ILE 0.18 1.14 1 39 LYS -2.37 -0.74 1 40 SER -1.77 -1.46 1 41 SER -6.29 -2.42 1 42 GLU 2.47 1.72 1 43 ILE 0.62 0.28 1 44 ILE -3.58 -0.41 1 45 GLU -1.26 -0.50 1 47 SER 2.93 2.72 1 52 THR -2.79 -1.77 1 53 ILE -4.79 -2.20 1 54 LYS -3.40 -1.01 1 55 LYS -1.40 -0.86 1 56 ILE 0.51 0.10 1 57 THR 0.65 1.14 1 58 PHE 2.39 2.00 1 60 GLU -3.50 -2.81 1 62 SER -0.40 -0.55 1 63 GLN -2.70 -2.36 1 64 PHE 1.02 2.61 1 65 ASN -2.90 -0.81 1 66 TYR -5.59 -1.89 1 67 VAL -3.20 -0.74 1 69 HIS 2.49 3.09 1 70 ARG 2.57 1.85 1 71 ILE 0.23 1.38 1 72 ASP -4.00 -0.43 1 73 GLU -1.27 0.98 1 74 ILE -2.92 -1.97 1 75 ASP 2.12 1.96 1 76 ASN 1.67 1.27 1 77 ALA -1.69 -1.25 1 78 ASN 2.02 -0.59 1 79 PHE -2.60 -0.68 1 80 THR -5.88 -1.70 1 81 TYR -5.39 -1.85 1 82 ALA -1.35 0.29 1 84 THR 0.89 0.00 1 85 LEU -1.38 0.30 1 86 ILE -4.02 -0.36 1 87 GLU 2.67 1.97 1 89 ASP 0.20 0.18 1 90 ALA 1.27 -0.25 1 91 ILE -3.64 0.19 1 92 SER 2.53 2.15 1 93 GLU 1.05 0.51 1 94 THR -2.70 -1.22 1 95 LEU -0.47 1.25 1 96 GLU -1.03 -0.36 1 97 LYS -3.84 -0.47 1 98 ILE -4.91 -1.95 1 99 ALA -5.04 -0.96 1 100 TYR -5.28 -1.51 1 101 GLU -4.57 -1.76 1 102 ILE -4.56 -1.23 1 103 LYS -3.06 -1.86 1 104 LEU -4.66 -2.23 1 105 VAL 0.51 0.10 1 106 ALA -1.66 -1.35 1 107 SER -0.01 -0.61 1 109 ASP -2.60 0.19 1 112 SER -0.82 -0.13 1 113 ILE -0.80 -0.39 1 114 LEU -1.56 -0.98 1 115 LYS -4.04 -2.07 1 116 SER -0.72 0.53 1 117 THR -3.93 -2.23 1 118 SER -0.70 0.00 1 119 LYS -0.89 -0.05 1 120 TYR -1.64 0.15 1 121 HIS -3.10 -1.84 1 122 THR -0.72 -0.10 1 123 LYS -0.07 -0.63 1 125 ASP 0.62 3.15 1 126 HIS -3.05 -1.62 1 127 GLU -2.40 -2.27 1 128 ILE -1.44 -1.44 1 129 LYS 3.91 3.30 1 130 GLU 4.04 2.66 1 131 ASP 2.95 2.38 1 132 GLN 3.07 1.86 1 133 ILE 4.08 3.51 1 134 LYS 3.91 2.67 1 135 ALA -1.15 0.88 1 138 GLU 3.68 3.03 1 139 GLU 4.20 3.02 1 140 ALA 4.31 3.55 1 141 SER 2.03 0.97 1 143 ILE 5.88 4.86 1 144 PHE 4.13 2.47 1 145 LYS 3.77 2.47 1 146 ALA 6.71 4.89 1 147 VAL 3.44 3.49 1 148 GLU 3.82 2.72 1 149 ALA 4.49 4.19 1 150 TYR 2.38 1.97 1 151 LEU 1.28 -2.27 1 152 LEU 0.59 0.51 1 153 ALA 3.97 4.55 1 154 ASN 0.17 -0.24 1 156 ALA -1.09 -1.68 1 157 ALA 1.42 4.11 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25590_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.29 _LACS_plot.Line_1_terminator_val_y_1 3.80 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.98 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.81 _LACS_plot.Line_2_terminator_val_x_2 6.71 _LACS_plot.Line_2_terminator_val_y_2 -1.67 _LACS_plot.Y_axis_chem_shift_offset -0.21 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 68 LYS 0.05 5.91 0 10 THR -2.28 1.14 1 11 THR -0.97 -1.19 1 12 VAL 1.90 -1.28 1 13 ILE 1.77 -2.97 1 14 THR 2.67 -1.51 1 16 ALA 3.90 -1.06 1 17 ARG 3.43 -0.23 1 18 LEU 2.99 -0.69 1 19 PHE 1.67 3.34 1 20 LYS 4.16 0.06 1 21 ALA 0.97 1.15 1 22 PHE -4.57 1.46 1 23 VAL 3.52 -1.94 1 24 LEU 2.57 0.15 1 25 ASP -2.50 1.12 1 26 ALA 3.49 0.27 1 27 ASP 3.71 -0.96 1 28 ASN -0.53 1.25 1 29 LEU 2.17 0.25 1 30 ILE 2.23 -0.33 1 32 LYS 0.17 -0.59 1 33 VAL -0.85 0.58 1 34 ALA 3.50 -2.09 1 36 GLN -0.02 1.25 1 37 ALA -1.93 0.70 1 38 ILE 0.18 0.96 1 39 LYS -2.37 1.63 1 40 SER -1.77 0.31 1 41 SER -6.29 3.87 1 42 GLU 2.47 -0.75 1 43 ILE 0.62 -0.34 1 44 ILE -3.58 3.17 1 45 GLU -1.26 0.76 1 47 SER 2.93 -0.21 1 52 THR -2.79 1.02 1 53 ILE -4.79 2.59 1 54 LYS -3.40 2.39 1 55 LYS -1.40 0.54 1 56 ILE 0.51 -0.41 1 57 THR 0.65 0.49 1 58 PHE 2.39 -0.39 1 60 GLU -3.50 0.69 1 62 SER -0.40 -0.15 1 63 GLN -2.70 0.34 1 64 PHE 1.02 1.59 1 65 ASN -2.90 2.09 1 66 TYR -5.59 3.70 1 67 VAL -3.20 2.46 1 69 HIS 2.49 0.60 1 70 ARG 2.57 -0.72 1 71 ILE 0.23 1.15 1 72 ASP -4.00 3.57 1 73 GLU -1.27 2.25 1 74 ILE -2.92 0.95 1 75 ASP 2.12 -0.16 1 76 ASN 1.67 -0.40 1 77 ALA -1.69 0.44 1 78 ASN 2.02 -2.61 1 79 PHE -2.60 1.92 1 80 THR -5.88 4.18 1 81 TYR -5.39 3.54 1 82 ALA -1.35 1.64 1 84 THR 0.89 -0.89 1 85 LEU -1.38 1.68 1 86 ILE -4.02 3.66 1 87 GLU 2.67 -0.70 1 89 ASP 0.20 -0.02 1 90 ALA 1.27 -1.52 1 91 ILE -3.64 3.83 1 92 SER 2.53 -0.38 1 93 GLU 1.05 -0.54 1 94 THR -2.70 1.48 1 95 LEU -0.47 1.72 1 96 GLU -1.03 0.67 1 97 LYS -3.84 3.37 1 98 ILE -4.91 2.96 1 99 ALA -5.04 4.08 1 100 TYR -5.28 3.77 1 101 GLU -4.57 2.81 1 102 ILE -4.56 3.33 1 103 LYS -3.06 1.20 1 104 LEU -4.66 2.43 1 105 VAL 0.51 -0.41 1 106 ALA -1.66 0.31 1 107 SER -0.01 -0.60 1 109 ASP -2.60 2.79 1 112 SER -0.82 0.69 1 113 ILE -0.80 0.41 1 114 LEU -1.56 0.58 1 115 LYS -4.04 1.97 1 116 SER -0.72 1.25 1 117 THR -3.93 1.70 1 118 SER -0.70 0.70 1 119 LYS -0.89 0.84 1 120 TYR -1.64 1.79 1 121 HIS -3.10 1.26 1 122 THR -0.72 0.62 1 123 LYS -0.07 -0.56 1 125 ASP 0.62 2.53 1 126 HIS -3.05 1.43 1 127 GLU -2.40 0.13 1 128 ILE -1.44 0.00 1 129 LYS 3.91 -0.61 1 130 GLU 4.04 -1.38 1 131 ASP 2.95 -0.57 1 132 GLN 3.07 -1.21 1 133 ILE 4.08 -0.57 1 134 LYS 3.91 -1.24 1 135 ALA -1.15 2.03 1 138 GLU 3.68 -0.65 1 139 GLU 4.20 -1.18 1 140 ALA 4.31 -0.76 1 141 SER 2.03 -1.06 1 143 ILE 5.88 -1.02 1 144 PHE 4.13 -1.66 1 145 LYS 3.77 -1.30 1 146 ALA 6.71 -1.82 1 147 VAL 3.44 0.05 1 148 GLU 3.82 -1.10 1 149 ALA 4.49 -0.30 1 150 TYR 2.38 -0.41 1 151 LEU 1.28 -3.55 1 152 LEU 0.59 -0.08 1 153 ALA 3.97 0.58 1 154 ASN 0.17 -0.41 1 156 ALA -1.09 -0.59 1 157 ALA 1.42 2.69 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25590_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.29 _LACS_plot.Line_1_terminator_val_y_1 1.07 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.11 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.47 _LACS_plot.Line_2_terminator_val_x_2 6.71 _LACS_plot.Line_2_terminator_val_y_2 -0.79 _LACS_plot.Y_axis_chem_shift_offset -0.18 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 22 PHE -4.57 -1.49 0 10 THR -2.28 0.90 1 11 THR -0.97 0.64 1 12 VAL 1.90 0.18 1 13 ILE 1.77 -0.21 1 14 THR 2.67 -0.27 1 16 ALA 3.90 -0.49 1 17 ARG 3.43 -0.23 1 18 LEU 2.99 -0.52 1 19 PHE 1.67 0.33 1 20 LYS 4.16 -0.49 1 21 ALA 0.97 -0.18 1 23 VAL 3.52 -0.69 1 24 LEU 2.57 -0.28 1 25 ASP -2.50 0.85 1 26 ALA 3.49 -0.64 1 27 ASP 3.71 -0.61 1 28 ASN -0.53 -0.04 1 29 LEU 2.17 -0.28 1 30 ILE 2.23 -0.15 1 32 LYS 0.17 0.15 1 33 VAL -0.85 0.39 1 34 ALA 3.50 -0.08 1 36 GLN -0.02 0.19 1 37 ALA -1.93 0.00 1 38 ILE 0.18 0.07 1 39 LYS -2.37 0.04 1 40 SER -1.77 0.60 1 41 SER -6.29 0.40 1 42 GLU 2.47 -0.17 1 43 ILE 0.62 0.19 1 44 ILE -3.58 0.09 1 45 GLU -1.26 0.19 1 47 SER 2.93 0.25 1 52 THR -2.79 1.03 1 53 ILE -4.79 0.95 1 54 LYS -3.40 0.75 1 55 LYS -1.40 0.46 1 56 ILE 0.51 0.43 1 57 THR 0.65 0.32 1 58 PHE 2.39 -0.18 1 60 GLU -3.50 1.18 1 62 SER -0.40 0.43 1 63 GLN -2.70 0.57 1 64 PHE 1.02 0.45 1 65 ASN -2.90 1.25 1 66 TYR -5.59 0.78 1 67 VAL -3.20 1.33 1 68 LYS 0.05 -0.75 1 69 HIS 2.49 0.33 1 70 ARG 2.57 -0.37 1 71 ILE 0.23 -0.81 1 72 ASP -4.00 0.16 1 73 GLU -2.92 0.40 1 75 ASP 2.12 -0.61 1 76 ASN 1.67 -0.38 1 77 ALA -1.69 -0.19 1 78 ASN 2.02 -1.50 1 79 PHE -2.60 1.27 1 80 THR -5.88 0.75 1 81 TYR -5.39 1.17 1 82 ALA -1.35 0.76 1 84 THR 0.89 0.65 1 85 LEU -1.38 0.42 1 86 ILE -4.02 0.23 1 87 GLU 2.67 -0.17 1 89 ASP 0.20 -0.34 1 90 ALA 1.27 0.43 1 91 ILE -3.64 0.08 1 92 SER 2.53 -0.12 1 93 GLU 1.05 -0.06 1 94 THR -2.70 0.46 1 95 LEU -0.47 -0.07 1 96 GLU -1.03 0.38 1 97 LYS -3.84 0.72 1 98 ILE -4.91 0.93 1 99 ALA -5.04 -0.16 1 100 TYR -5.28 0.91 1 101 GLU -4.57 1.03 1 102 ILE -4.56 1.15 1 103 LYS -3.06 1.18 1 104 LEU -4.66 0.33 1 105 VAL 0.51 0.26 1 106 ALA -1.66 0.07 1 107 SER -0.01 0.00 1 109 ASP -2.60 0.99 1 112 SER -0.82 0.29 1 113 ILE -0.80 0.49 1 114 LEU -1.56 0.74 1 115 LYS -4.04 1.16 1 116 SER -0.72 0.76 1 117 THR -3.93 0.94 1 118 SER -0.70 0.97 1 119 LYS -0.89 0.05 1 120 TYR -1.64 0.65 1 121 HIS -3.10 0.83 1 122 THR -0.72 0.14 1 123 LYS -0.07 0.18 1 125 ASP 0.62 -0.27 1 126 HIS -3.05 0.06 1 127 GLU -2.40 -0.05 1 128 ILE -1.44 1.11 1 129 LYS 3.91 -0.70 1 130 GLU 4.04 -0.40 1 131 ASP 2.95 -0.18 1 132 GLN 3.07 -0.34 1 133 ILE 4.08 -0.50 1 134 LYS 3.91 -0.11 1 135 ALA -1.15 -0.33 1 138 GLU 3.68 -0.18 1 139 GLU 4.20 -0.26 1 140 ALA 4.31 -0.21 1 141 SER 2.03 -0.04 1 143 ILE 5.88 -0.78 1 144 PHE 4.13 -0.53 1 145 LYS 3.77 -0.05 1 146 ALA 6.71 -0.67 1 147 VAL 3.44 -0.53 1 148 GLU 3.82 -0.31 1 149 ALA 4.49 -0.42 1 150 TYR 2.38 -0.23 1 151 LEU 1.28 -0.13 1 152 LEU 0.59 -0.17 1 153 ALA 3.97 -0.36 1 154 ASN 0.17 0.01 1 156 ALA -1.09 0.76 1 157 ALA 1.42 -0.41 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25590_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.29 _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 0.41 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.10 _LACS_plot.Line_2_terminator_val_x_2 6.71 _LACS_plot.Line_2_terminator_val_y_2 2.11 _LACS_plot.Y_axis_chem_shift_offset 0.35 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 152 LEU 0.59 -5.31 0 10 THR -2.28 -1.55 1 11 THR -0.97 -1.83 1 12 VAL 1.90 0.14 1 13 ILE 1.77 -0.82 1 14 THR 2.67 0.07 1 16 ALA 3.90 2.26 1 17 ARG 3.43 1.08 1 18 LEU 2.99 0.72 1 19 PHE 1.67 2.25 1 20 LYS 4.16 -0.24 1 21 ALA 0.97 -2.41 1 23 VAL 3.52 1.39 1 24 LEU 2.57 1.09 1 25 ASP -2.50 1.01 1 26 ALA 3.49 0.59 1 27 ASP 3.71 -0.20 1 28 ASN -0.53 0.99 1 29 LEU 2.17 0.63 1 30 ILE 2.23 1.90 1 32 LYS 0.17 -0.63 1 33 VAL -0.85 -2.06 1 34 ALA 3.50 -0.17 1 36 GLN -0.02 -0.03 1 37 ALA -1.93 -3.45 1 38 ILE 0.18 0.78 1 39 LYS -2.37 -2.97 1 40 SER -1.77 -1.44 1 41 SER -6.29 -1.48 1 42 GLU 2.47 -0.11 1 43 ILE 0.62 -0.53 1 44 ILE -3.58 -1.92 1 45 GLU -1.26 0.28 1 47 SER 2.93 -1.46 1 52 THR -2.79 -1.12 1 53 ILE -4.79 -1.89 1 54 LYS -3.40 -1.15 1 55 LYS -1.40 -1.49 1 56 ILE 0.51 -0.06 1 57 THR 0.65 0.12 1 58 PHE 2.39 0.93 1 60 GLU -3.50 0.39 1 62 SER -0.40 -1.14 1 63 GLN -2.70 -1.57 1 64 PHE 1.02 0.55 1 65 ASN -2.90 -2.30 1 66 TYR -5.59 -1.84 1 67 VAL -3.20 -1.74 1 68 LYS 0.05 -0.77 1 69 HIS 2.49 4.42 1 70 ARG 2.57 -1.52 1 71 ILE 0.23 -0.55 1 72 ASP -4.00 -2.66 1 73 GLU -1.27 -2.67 1 74 ILE -2.92 -0.11 1 75 ASP 2.12 0.54 1 76 ASN 1.67 0.00 1 77 ALA -1.69 -1.41 1 78 ASN 2.02 -2.19 1 79 PHE -2.60 -2.19 1 80 THR -5.88 -3.68 1 81 TYR -5.39 -1.87 1 82 ALA -1.35 -1.35 1 84 THR 0.89 -1.77 1 85 LEU -1.38 -0.99 1 86 ILE -4.02 -2.60 1 87 GLU 2.67 0.38 1 89 ASP 0.20 -0.95 1 90 ALA 1.27 -0.90 1 91 ILE -3.64 0.17 1 92 SER 2.53 0.33 1 93 GLU -2.70 -2.70 1 95 LEU -0.47 -0.35 1 96 GLU -1.03 -2.87 1 97 LYS -3.84 -2.51 1 98 ILE -4.91 -2.55 1 99 ALA -5.04 -1.08 1 100 TYR -5.28 -1.88 1 101 GLU -4.57 -2.40 1 102 ILE -4.56 -1.45 1 103 LYS -3.06 -1.68 1 104 LEU -4.66 -1.34 1 105 VAL 0.51 -0.37 1 106 ALA -1.66 1.92 1 107 SER -2.60 -1.61 1 112 SER -0.82 -1.61 1 113 ILE -0.80 -2.33 1 114 LEU -1.56 -1.44 1 115 LYS -4.04 -0.57 1 116 SER -0.72 -1.31 1 117 THR -3.93 -1.30 1 118 SER -0.70 -1.98 1 119 LYS -0.89 -0.99 1 120 TYR -1.64 1.65 1 121 HIS -3.10 0.45 1 122 THR -0.72 0.19 1 123 LYS -0.07 -0.04 1 125 ASP 0.62 1.67 1 126 HIS -3.05 -1.29 1 127 GLU -2.40 -1.87 1 128 ILE -1.44 0.80 1 129 LYS 3.91 1.34 1 130 GLU 4.04 2.07 1 131 ASP 2.95 1.91 1 132 GLN 3.07 1.62 1 133 ILE 4.08 1.41 1 134 LYS 3.91 2.92 1 135 ALA 4.20 1.72 1 140 ALA 2.03 1.15 1 143 ILE 5.88 1.17 1 144 PHE 4.13 2.75 1 145 LYS 3.77 2.76 1 146 ALA 6.71 0.69 1 147 VAL 3.44 0.78 1 148 GLU 3.82 2.94 1 149 ALA 4.49 2.26 1 150 TYR 2.38 0.90 1 151 LEU 1.28 -0.75 1 153 ALA 0.17 0.87 1 156 ALA -1.09 0.23 1 stop_ save_