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 bmr5490_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -9.58 _LACS_plot.Line_1_terminator_val_y_1 -3.73 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.18 _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 6.61 _LACS_plot.Line_2_terminator_val_y_2 4.82 _LACS_plot.Y_axis_chem_shift_offset -0.38 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 68 LYS -9.58 -2.75 0 10 THR -2.64 -1.12 1 11 SER -4.61 -2.24 1 12 GLU 0.19 0.80 1 13 ILE -0.20 -2.22 1 17 ARG 2.96 2.94 1 18 LEU 2.78 2.41 1 19 PHE 4.11 4.73 1 20 LYS 3.99 4.15 1 21 ALA 0.40 1.89 1 22 PHE -0.20 0.49 1 23 VAL 3.59 1.51 1 24 LEU 4.23 2.18 1 25 ASP -3.57 -1.14 1 26 ALA 3.95 3.78 1 27 ASP 3.81 2.57 1 28 ASN -0.49 0.67 1 29 LEU 2.14 2.49 1 30 VAL 1.99 1.84 1 32 LYS -0.35 0.40 1 33 ILE -0.96 0.15 1 34 ALA 3.38 1.50 1 36 GLN 0.74 1.17 1 37 ALA -1.85 0.75 1 38 ILE -0.01 0.90 1 39 LYS -3.46 0.77 1 40 HIS -2.91 -1.94 1 41 SER -6.28 -2.30 1 42 GLU 2.06 1.00 1 43 ILE 0.62 0.78 1 44 LEU -5.41 -2.09 1 54 LYS -4.25 -1.38 1 55 LYS -1.40 -0.58 1 56 ILE -0.80 -0.47 1 57 THR -2.42 -1.04 1 58 PHE -0.60 -0.11 1 60 GLU 1.01 0.42 1 63 GLN -1.53 -0.95 1 64 TYR -4.65 -1.80 1 66 TYR -6.18 -2.59 1 67 VAL -4.28 -0.89 1 69 HIS -5.28 -2.40 1 70 LYS 3.27 1.20 1 71 ILE 0.66 2.39 1 72 ASP -1.02 0.07 1 73 SER -1.62 1.08 1 74 ILE -2.40 -1.92 1 75 ASP 2.54 2.01 1 76 LYS 1.48 1.34 1 77 GLU -1.69 -1.27 1 78 ASN 3.10 -0.31 1 79 TYR -4.72 -1.86 1 80 SER -6.20 -1.99 1 81 TYR -3.51 -1.62 1 82 SER -3.12 -1.26 1 83 TYR -2.11 0.04 1 84 THR -0.48 0.53 1 85 LEU -0.72 0.20 1 86 ILE -4.72 0.32 1 87 GLU 3.01 3.08 1 89 ASP 1.39 1.37 1 90 ALA 2.85 0.69 1 91 LEU -0.31 0.02 1 93 ASP -0.15 0.51 1 94 THR -3.12 -1.25 1 95 LEU -0.56 1.19 1 96 GLU -0.96 -0.58 1 97 LYS -3.26 -0.34 1 98 ILE -2.23 -0.65 1 99 SER -3.52 -1.01 1 100 TYR -4.15 -0.93 1 101 GLU -1.80 0.18 1 102 THR -4.21 -1.01 1 103 LYS -1.88 -1.03 1 104 LEU -4.52 -2.19 1 105 VAL 0.90 0.35 1 106 ALA -4.18 -3.76 1 107 SER 0.16 -0.24 1 109 SER -2.77 0.72 1 112 SER -0.12 0.08 1 113 ILE 0.28 0.03 1 114 ILE -1.06 -1.01 1 115 LYS -2.59 -1.44 1 116 SER -0.41 0.28 1 117 THR -4.60 -2.35 1 118 SER -3.89 -1.04 1 119 HIS -0.24 0.28 1 120 TYR -0.95 0.55 1 121 HIS -0.98 -0.12 1 122 THR -0.11 -0.21 1 123 LYS 1.32 0.19 1 125 ASN -2.72 -1.26 1 126 VAL -1.87 -1.01 1 127 GLU -0.72 -1.98 1 128 ILE -0.34 -0.65 1 129 LYS 3.61 3.00 1 130 GLU 3.86 2.84 1 131 GLU 1.25 3.61 1 132 HIS 3.93 2.66 1 133 VAL 4.12 3.51 1 134 LYS 3.53 2.47 1 135 ALA 3.91 3.41 1 137 LYS 3.06 2.58 1 138 GLU 3.97 3.21 1 139 LYS 3.26 2.39 1 140 ALA 3.93 2.94 1 141 SER 3.44 3.06 1 142 ASN 4.32 2.94 1 143 LEU 6.61 4.59 1 144 PHE 4.42 3.11 1 145 LYS 3.15 3.07 1 146 LEU 5.42 4.38 1 147 ILE 3.59 3.85 1 148 GLU 6.28 5.27 1 149 THR 4.86 4.47 1 150 TYR 4.09 2.74 1 151 LEU 4.08 3.13 1 152 LYS 1.82 0.80 1 154 HIS 0.25 -0.24 1 156 ASP -0.71 -0.02 1 157 ALA 5.82 2.18 1 158 TYR -0.51 1.25 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5490_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -9.58 _LACS_plot.Line_1_terminator_val_y_1 5.85 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.82 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 1.11 _LACS_plot.Line_2_terminator_val_x_2 6.61 _LACS_plot.Line_2_terminator_val_y_2 -1.79 _LACS_plot.Y_axis_chem_shift_offset -0.38 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 68 LYS -9.58 6.83 0 10 THR -2.64 1.52 1 11 SER -4.61 2.37 1 12 GLU 0.19 0.61 1 13 ILE -0.20 -2.02 1 17 ARG 2.96 -0.02 1 18 LEU 2.78 -0.37 1 19 PHE 4.11 0.62 1 20 LYS 3.99 0.16 1 21 ALA 0.40 1.49 1 22 PHE -0.20 0.69 1 23 VAL 3.59 -2.08 1 24 LEU 4.23 -2.05 1 25 ASP -3.57 2.43 1 26 ALA 3.95 -0.17 1 27 ASP 3.81 -1.24 1 28 ASN -0.49 1.16 1 29 LEU 2.14 0.35 1 30 VAL 1.99 -0.15 1 32 LYS -0.35 0.75 1 33 ILE -0.96 1.11 1 34 ALA 3.38 -1.88 1 36 GLN 0.74 0.43 1 37 ALA -1.85 2.60 1 38 ILE -0.01 0.91 1 39 LYS -3.46 4.23 1 40 HIS -2.91 0.97 1 41 SER -6.28 3.98 1 42 GLU 2.06 -1.06 1 43 ILE 0.62 0.16 1 44 LEU -5.41 3.32 1 54 LYS -4.25 2.87 1 55 LYS -1.40 0.82 1 56 ILE -0.80 0.33 1 57 THR -2.42 1.38 1 58 PHE -0.60 0.49 1 60 GLU 1.01 -0.59 1 63 GLN -1.53 0.58 1 64 TYR -4.65 2.85 1 66 TYR -6.18 3.59 1 67 VAL -4.28 3.39 1 69 HIS -5.28 2.88 1 70 LYS 3.27 -2.07 1 71 ILE 0.66 1.73 1 72 ASP -1.02 1.09 1 73 SER -1.62 2.70 1 74 ILE -2.40 0.48 1 75 ASP 2.54 -0.53 1 76 LYS 1.48 -0.14 1 77 GLU -1.69 0.42 1 78 ASN 3.10 -3.41 1 79 TYR -4.72 2.86 1 80 SER -6.20 4.21 1 81 TYR -3.51 1.89 1 82 SER -3.12 1.86 1 83 TYR -2.11 2.15 1 84 THR -0.48 1.01 1 85 LEU -0.72 0.92 1 86 ILE -4.72 5.04 1 87 GLU 3.01 0.07 1 89 ASP 1.39 -0.02 1 90 ALA 2.85 -2.16 1 91 LEU -0.31 0.33 1 93 ASP -0.15 0.66 1 94 THR -3.12 1.87 1 95 LEU -0.56 1.75 1 96 GLU -0.96 0.38 1 97 LYS -3.26 2.92 1 98 ILE -2.23 1.58 1 99 SER -3.52 2.51 1 100 TYR -4.15 3.22 1 101 GLU -1.80 1.98 1 102 THR -4.21 3.20 1 103 LYS -1.88 0.85 1 104 LEU -4.52 2.33 1 105 VAL 0.90 -0.55 1 106 ALA -4.18 0.42 1 107 SER 0.16 -0.40 1 109 SER -2.77 3.49 1 112 SER -0.12 0.20 1 113 ILE 0.28 -0.25 1 114 ILE -1.06 0.05 1 115 LYS -2.59 1.15 1 116 SER -0.41 0.69 1 117 THR -4.60 2.25 1 118 SER -3.89 2.85 1 119 HIS -0.24 0.52 1 120 TYR -0.95 1.50 1 121 HIS -0.98 0.86 1 122 THR -0.11 -0.10 1 123 LYS 1.32 -1.13 1 125 ASN -2.72 1.46 1 126 VAL -1.87 0.86 1 127 GLU -0.72 -1.26 1 128 ILE -0.34 -0.31 1 129 LYS 3.61 -0.61 1 130 GLU 3.86 -1.02 1 131 GLU 1.25 2.36 1 132 HIS 3.93 -1.27 1 133 VAL 4.12 -0.61 1 134 LYS 3.53 -1.06 1 135 ALA 3.91 -0.50 1 137 LYS 3.06 -0.48 1 138 GLU 3.97 -0.76 1 139 LYS 3.26 -0.87 1 140 ALA 3.93 -0.99 1 141 SER 3.44 -0.38 1 142 ASN 4.32 -1.38 1 143 LEU 6.61 -2.02 1 144 PHE 4.42 -1.31 1 145 LYS 3.15 -0.08 1 146 LEU 5.42 -1.04 1 147 ILE 3.59 0.26 1 148 GLU 6.28 -1.01 1 149 THR 4.86 -0.39 1 150 TYR 4.09 -1.35 1 151 LEU 4.08 -0.95 1 152 LYS 1.82 -1.02 1 154 HIS 0.25 -0.49 1 156 ASP -0.71 0.69 1 157 ALA 5.82 -3.64 1 158 TYR -0.51 1.76 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5490_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -9.58 _LACS_plot.Line_1_terminator_val_y_1 1.43 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.17 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.41 _LACS_plot.Line_2_terminator_val_x_2 6.61 _LACS_plot.Line_2_terminator_val_y_2 -0.83 _LACS_plot.Y_axis_chem_shift_offset -0.11 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 78 ASN 3.10 -1.73 0 10 THR -2.64 0.68 1 11 SER -4.61 0.43 1 12 GLU 0.19 -0.06 1 13 ILE -0.20 -0.03 1 17 ARG 2.96 -0.12 1 18 LEU 2.78 -0.52 1 19 PHE 4.11 -0.78 1 20 LYS 3.99 -0.63 1 21 ALA 0.40 -1.14 1 22 PHE -0.20 -0.47 1 23 VAL 3.59 -0.99 1 24 LEU 4.23 -0.49 1 25 ASP -3.57 0.71 1 26 ALA 3.95 -0.61 1 27 ASP 3.81 -0.67 1 28 ASN -0.49 -0.07 1 29 LEU 2.14 -0.33 1 30 VAL 1.99 -0.23 1 32 LYS -0.35 0.17 1 33 ILE -0.96 0.22 1 34 ALA 3.38 -0.18 1 36 GLN 0.74 -0.03 1 37 ALA -1.85 -0.14 1 38 ILE -0.01 0.09 1 39 LYS -3.46 -0.08 1 40 HIS -2.91 0.64 1 41 SER -6.28 0.24 1 42 GLU 2.06 -0.14 1 43 ILE 0.62 0.07 1 44 LEU -5.41 0.94 1 54 LYS -4.25 0.81 1 55 LYS -1.40 0.45 1 56 ILE -0.80 0.44 1 57 THR -2.42 0.29 1 58 PHE -0.60 -0.07 1 60 GLU -1.53 0.22 1 64 TYR -4.65 1.07 1 66 TYR -6.18 0.81 1 67 VAL -4.28 1.35 1 68 LYS -9.58 1.18 1 69 HIS -5.28 1.22 1 70 LYS 3.27 -0.22 1 71 ILE 0.66 0.27 1 72 ASP -1.02 0.12 1 73 SER -1.62 0.49 1 74 ILE -2.40 0.37 1 75 ASP 2.54 -0.50 1 76 LYS 1.48 -0.49 1 77 GLU -1.69 -0.30 1 79 TYR -4.72 1.34 1 80 SER -6.20 0.92 1 81 TYR -3.51 1.06 1 82 SER -3.12 0.78 1 83 TYR -2.11 0.70 1 84 THR -0.48 0.80 1 85 LEU -0.72 0.58 1 86 ILE -4.72 0.12 1 87 GLU 3.01 -0.30 1 89 ASP 1.39 -0.30 1 90 ALA 2.85 -0.10 1 91 LEU -0.31 0.20 1 93 ASP -0.15 0.19 1 94 THR -3.12 0.70 1 95 LEU -0.56 -0.17 1 96 GLU -0.96 0.41 1 97 LYS -3.26 0.67 1 98 ILE -2.23 0.54 1 99 SER -3.52 0.66 1 100 TYR -4.15 0.65 1 101 GLU -1.80 1.14 1 102 THR -4.21 1.02 1 103 LYS -1.88 1.02 1 104 LEU -4.52 0.27 1 105 VAL 0.90 0.12 1 106 ALA -4.18 0.38 1 107 SER 0.16 0.01 1 109 SER -2.77 0.94 1 112 SER -0.12 0.13 1 113 ILE 0.28 0.19 1 114 ILE -1.06 0.52 1 115 LYS -2.59 1.08 1 116 SER -0.41 0.63 1 117 THR -4.60 0.59 1 118 SER -3.89 0.54 1 119 HIS -0.24 -0.07 1 120 TYR -0.95 0.41 1 121 HIS -0.98 0.53 1 122 THR -0.11 0.23 1 123 LYS 1.32 -0.04 1 125 ASN -2.72 0.20 1 126 VAL -1.87 -0.23 1 127 GLU -0.72 -0.20 1 128 ILE -0.34 -0.07 1 129 LYS 3.61 -0.66 1 130 GLU 3.86 -0.42 1 131 GLU 1.25 -0.33 1 132 HIS 3.93 -0.49 1 133 VAL 4.12 -0.45 1 134 LYS 3.53 -0.13 1 135 ALA 3.91 -0.04 1 137 LYS 3.06 -0.29 1 138 GLU 3.97 -0.32 1 139 LYS 3.26 -0.36 1 140 ALA 3.93 -0.69 1 141 SER 3.44 -0.35 1 142 ASN 4.32 -0.33 1 143 LEU 6.61 -0.69 1 144 PHE 4.42 -0.26 1 145 LYS 3.15 -0.23 1 146 LEU 5.42 -0.66 1 147 ILE 3.59 -0.66 1 148 GLU 6.28 -0.53 1 149 THR 4.86 -0.24 1 150 TYR 4.09 -0.38 1 151 LEU 4.08 -0.29 1 152 LYS 1.82 -0.22 1 154 HIS 0.25 -0.11 1 156 ASP -0.71 -0.17 1 157 ALA 5.82 -0.49 1 158 TYR -0.51 -0.14 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5490_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -9.58 _LACS_plot.Line_1_terminator_val_y_1 -3.68 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.52 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.04 _LACS_plot.Line_2_terminator_val_x_2 6.61 _LACS_plot.Line_2_terminator_val_y_2 2.41 _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 158 TYR 5.82 -2.46 0 69 HIS -9.58 -0.07 0 10 THR -2.64 -1.33 1 11 SER -4.61 0.84 1 12 GLU 0.19 -0.67 1 17 ARG 2.96 0.91 1 18 LEU 2.78 0.73 1 19 PHE 4.11 2.00 1 20 LYS 3.99 -0.30 1 21 ALA 0.40 -2.54 1 22 PHE -0.20 -1.79 1 23 VAL 3.59 1.34 1 24 LEU 4.23 0.91 1 25 ASP -3.57 1.17 1 26 ALA 3.95 0.90 1 27 ASP 3.81 -0.40 1 28 ASN -0.49 1.04 1 29 LEU 2.14 0.35 1 32 LYS 1.99 1.55 1 36 GLN 3.38 -0.03 1 38 ILE -1.85 -3.36 1 39 LYS -0.01 0.00 1 40 HIS -3.46 -1.68 1 41 SER -2.91 -2.02 1 42 GLU -6.28 -1.87 1 43 ILE 2.06 -0.14 1 44 LEU 0.62 -0.37 1 54 LYS -5.41 -2.30 1 55 LYS -4.25 -1.66 1 56 ILE -1.40 -1.56 1 57 THR -0.80 1.03 1 58 PHE -2.42 -1.43 1 60 GLU -0.60 -0.43 1 63 GLN 1.01 -1.06 1 64 TYR -1.53 -0.28 1 66 TYR -4.65 -1.26 1 67 VAL -6.18 -1.04 1 68 LYS -4.28 -0.93 1 70 LYS -5.28 -0.76 1 71 ILE 3.27 -1.23 1 72 ASP 0.66 -0.07 1 73 SER -1.02 -2.28 1 74 ILE -1.62 -2.71 1 75 ASP -2.40 0.04 1 76 LYS 2.54 0.09 1 77 GLU 1.48 -0.28 1 78 ASN -1.69 -1.63 1 79 TYR 3.10 -2.52 1 80 SER -4.72 -1.68 1 81 TYR -6.20 -2.21 1 82 SER -3.51 -1.68 1 83 TYR -3.12 -3.71 1 84 THR -2.11 -1.22 1 85 LEU -0.48 -2.35 1 86 ILE -0.72 -0.33 1 87 GLU -4.72 -2.73 1 89 ASP 3.01 1.73 1 90 ALA 1.39 0.40 1 91 LEU 2.85 0.06 1 93 ASP -0.31 1.13 1 94 THR -0.15 -0.52 1 95 LEU -3.12 -1.93 1 96 GLU -0.56 -0.77 1 97 LYS -0.96 -2.59 1 98 ILE -3.26 -1.73 1 99 SER -2.23 -2.78 1 100 TYR -3.52 0.43 1 102 THR -1.80 -1.97 1 103 LYS -4.21 -2.28 1 104 LEU -1.88 -2.04 1 105 VAL -4.52 -1.25 1 106 ALA 0.90 -0.37 1 109 SER 0.16 0.28 1 112 SER -2.77 -1.21 1 113 ILE -0.12 -1.59 1 114 ILE 0.28 -1.59 1 115 LYS -1.06 -0.72 1 116 SER -2.59 -0.81 1 117 THR -0.41 -1.39 1 118 SER -4.60 -2.25 1 119 HIS -3.89 0.17 1 120 TYR -0.24 -1.16 1 121 HIS -0.95 1.60 1 122 THR -0.98 -0.16 1 123 LYS -0.11 -0.26 1 125 ASN 1.32 -0.58 1 126 VAL -2.72 -1.53 1 127 GLU -1.87 -0.86 1 128 ILE -0.72 -0.95 1 129 LYS -0.34 0.86 1 130 GLU 3.61 1.82 1 131 GLU 3.86 1.93 1 132 HIS 1.25 4.15 1 133 VAL 3.93 2.61 1 134 LYS 4.12 1.87 1 135 ALA 3.53 2.95 1 137 LYS 3.91 2.20 1 138 GLU 3.06 2.22 1 139 LYS 3.97 2.72 1 140 ALA 3.26 1.41 1 141 SER 3.93 2.52 1 142 ASN 3.44 2.17 1 143 LEU 4.32 0.96 1 144 PHE 6.61 2.38 1 145 LYS 4.42 2.76 1 146 LEU 3.15 2.84 1 147 ILE 5.42 0.73 1 148 GLU 3.59 1.48 1 149 THR 6.28 2.43 1 150 TYR 4.86 2.88 1 151 LEU 4.09 2.66 1 152 LYS 4.08 1.82 1 156 ASP 0.25 0.05 1 157 ALA -0.71 -0.10 1 stop_ save_