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 bmr17481_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.68 _LACS_plot.Line_1_terminator_val_y_1 -2.85 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 1.03 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.28 _LACS_plot.Line_2_terminator_val_x_2 6.43 _LACS_plot.Line_2_terminator_val_y_2 4.76 _LACS_plot.Y_axis_chem_shift_offset -0.19 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 159 HIS -6.62 -0.10 0 51 ALA 0.76 -2.07 0 10 ILE -2.29 -0.75 1 11 ILE -1.83 -0.21 1 12 PHE -5.51 -1.32 1 13 THR -3.08 -1.40 1 14 ARG -4.28 -0.48 1 15 THR -0.79 -0.03 1 16 PHE -4.81 -1.24 1 17 SER 0.69 -1.74 1 18 ALA -4.16 -0.60 1 20 ILE 5.51 4.84 1 21 ASN 5.09 3.98 1 22 LYS 2.71 1.92 1 23 VAL 5.35 4.34 1 24 PHE 4.88 4.81 1 25 ASP 3.72 2.74 1 26 ALA 3.45 2.06 1 27 TYR 0.39 3.25 1 28 THR -1.55 -0.07 1 29 LYS -1.42 -1.62 1 30 ARG 4.18 3.94 1 31 GLU 3.74 2.09 1 32 LEU 0.87 1.57 1 33 PHE 3.23 4.32 1 34 GLU 0.62 0.30 1 35 GLN 0.22 1.38 1 36 TRP -2.99 -1.04 1 37 PHE 6.03 1.64 1 38 HIS 0.34 -0.56 1 41 ASP 2.80 1.05 1 42 ALA -6.43 -2.07 1 43 SER -4.18 -1.92 1 44 VAL -5.85 -3.40 1 45 THR -1.28 -0.07 1 46 VAL 0.60 0.00 1 47 TYR 0.80 1.37 1 48 ASP -3.93 -0.02 1 49 PHE -0.07 2.77 1 50 ASN -0.50 -0.99 1 52 THR -4.36 -2.72 1 53 LYS 4.52 3.74 1 56 SER -3.94 -1.23 1 57 ALA -6.59 -1.67 1 58 PHE -5.41 -3.09 1 59 TYR -5.48 -2.20 1 60 ALA -7.56 -2.75 1 61 ILE -1.48 -1.83 1 62 GLN -1.34 -0.80 1 63 ALA -2.29 -0.60 1 65 GLN 0.69 0.13 1 66 MET -1.97 0.43 1 67 ILE -2.74 -0.89 1 68 SER -3.68 -1.84 1 69 TYR -2.32 -0.22 1 70 THR -3.30 0.31 1 71 ILE -5.36 -1.77 1 72 ALA -6.34 -3.45 1 73 GLU -4.37 -2.02 1 74 TYR 1.17 2.02 1 75 LEU 0.11 0.66 1 76 GLN -2.82 0.13 1 77 VAL -1.27 1.44 1 78 ASP -3.12 -1.76 1 79 ALA -1.26 0.22 1 81 TYR -1.79 1.49 1 82 TYR -4.60 0.37 1 83 ILE -4.73 -0.36 1 84 GLU -6.03 -2.40 1 85 TYR -4.29 -1.75 1 86 LEU -6.41 -2.39 1 87 ASP -4.07 -0.88 1 88 TYR -2.69 -0.82 1 89 PHE 1.37 1.57 1 90 ALA -7.68 -2.51 1 91 THR -5.25 -2.53 1 92 SER 2.61 1.70 1 93 LYS -0.33 -1.08 1 95 GLU -3.90 -2.68 1 96 LYS 1.40 1.32 1 97 ASP -0.70 -0.87 1 98 THR 1.98 0.60 1 99 SER 2.26 2.12 1 100 MET -2.83 -1.15 1 103 MET -2.81 -1.20 1 104 HIS -1.91 2.08 1 105 ILE -3.36 -1.46 1 106 THR -4.73 -2.55 1 107 LEU -5.45 -1.81 1 108 ASN -5.07 -0.39 1 109 PHE -3.41 -1.24 1 113 LYS 3.31 0.96 1 115 LYS -2.65 -1.62 1 116 THR 0.51 1.24 1 117 THR 0.27 0.86 1 118 VAL -2.58 -1.37 1 119 THR -0.44 -0.27 1 120 SER -3.95 -3.01 1 121 THR 1.19 0.51 1 122 SER -1.70 -0.93 1 123 THR 2.36 1.75 1 124 PHE 0.04 1.28 1 126 THR -7.66 -3.47 1 128 SER 4.64 3.07 1 129 ALA 2.56 2.41 1 130 ALA 3.49 2.01 1 131 GLN 3.44 2.36 1 132 GLN 4.33 3.26 1 133 ALA 4.01 2.97 1 134 ILE 4.83 2.55 1 135 ASP 4.32 3.28 1 136 MET 0.54 0.12 1 138 VAL 4.56 2.82 1 139 GLU 3.65 3.62 1 140 THR 5.05 4.03 1 142 MET 4.69 3.76 1 143 ASN 3.55 3.67 1 144 SER 3.97 3.69 1 145 THR 5.77 4.78 1 146 LEU 4.35 3.21 1 147 ASN 4.07 2.42 1 148 GLN 3.82 2.18 1 149 LEU 6.43 2.68 1 150 GLU 3.76 3.88 1 151 LYS 3.72 3.43 1 152 LEU 3.26 3.09 1 153 LEU 2.61 1.91 1 154 ASN 0.49 0.55 1 155 GLN 1.63 1.38 1 156 LYS 0.58 -0.05 1 157 LEU 0.32 0.25 1 158 GLU -0.45 -0.14 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17481_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.68 _LACS_plot.Line_1_terminator_val_y_1 4.83 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -0.96 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.72 _LACS_plot.Line_2_terminator_val_x_2 6.43 _LACS_plot.Line_2_terminator_val_y_2 -1.67 _LACS_plot.Y_axis_chem_shift_offset -0.19 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 159 HIS -6.62 6.52 0 51 ALA 0.76 -2.83 0 10 ILE -2.29 1.54 1 11 ILE -1.83 1.62 1 12 PHE -5.51 4.19 1 13 THR -3.08 1.68 1 14 ARG -4.28 3.80 1 15 THR -0.79 0.76 1 16 PHE -4.81 3.57 1 17 SER 0.69 -2.43 1 18 ALA -4.16 3.56 1 20 ILE 5.51 -0.67 1 21 ASN 5.09 -1.11 1 22 LYS 2.71 -0.79 1 23 VAL 5.35 -1.01 1 24 PHE 4.88 -0.07 1 25 ASP 3.72 -0.98 1 26 ALA 3.45 -1.39 1 27 TYR 0.39 2.86 1 28 THR -1.55 1.48 1 29 LYS -1.42 -0.20 1 30 ARG 4.18 -0.24 1 31 GLU 3.74 -1.65 1 32 LEU 0.87 0.70 1 33 PHE 3.23 1.09 1 34 GLU 0.62 -0.32 1 35 GLN 0.22 1.16 1 36 TRP -2.99 1.95 1 37 PHE 6.03 -4.39 1 38 HIS 0.34 -0.90 1 41 ASP 2.80 -1.75 1 42 ALA -6.43 4.36 1 43 SER -4.18 2.26 1 44 VAL -5.85 2.45 1 45 THR -1.28 1.21 1 46 VAL 0.60 -0.60 1 47 TYR 0.80 0.57 1 48 ASP -3.93 3.91 1 49 PHE -0.07 2.84 1 50 ASN -0.50 -0.49 1 52 THR -4.36 1.64 1 53 LYS 4.52 -0.78 1 56 SER -3.94 2.71 1 57 ALA -6.59 4.92 1 58 PHE -5.41 2.32 1 59 TYR -5.48 3.28 1 60 ALA -7.56 4.81 1 61 ILE -1.48 -0.35 1 62 GLN -1.34 0.54 1 63 ALA -2.29 1.69 1 65 GLN 0.69 -0.56 1 66 MET -1.97 2.40 1 67 ILE -2.74 1.85 1 68 SER -3.68 1.84 1 69 TYR -2.32 2.10 1 70 THR -3.30 3.61 1 71 ILE -5.36 3.59 1 72 ALA -6.34 2.89 1 73 GLU -4.37 2.35 1 74 TYR 1.17 0.85 1 75 LEU 0.11 0.55 1 76 GLN -2.82 2.95 1 77 VAL -1.27 2.71 1 78 ASP -3.12 1.36 1 79 ALA -1.26 1.48 1 81 TYR -1.79 3.28 1 82 TYR -4.60 4.97 1 83 ILE -4.73 4.37 1 84 GLU -6.03 3.63 1 85 TYR -4.29 2.54 1 86 LEU -6.41 4.02 1 87 ASP -4.07 3.19 1 88 TYR -2.69 1.87 1 89 PHE 1.37 0.20 1 90 ALA -7.68 5.17 1 91 THR -5.25 2.72 1 92 SER 2.61 -0.91 1 93 LYS -0.33 -0.75 1 95 GLU -3.90 1.22 1 96 LYS 1.40 -0.08 1 97 ASP -0.70 -0.17 1 98 THR 1.98 -1.38 1 99 SER 2.26 -0.14 1 100 MET -2.83 1.68 1 103 MET -2.81 1.61 1 104 HIS -1.91 3.99 1 105 ILE -3.36 1.90 1 106 THR -4.73 2.18 1 107 LEU -5.45 3.64 1 108 ASN -5.07 4.68 1 109 PHE -3.41 2.17 1 113 LYS 3.31 -2.35 1 115 LYS -2.65 1.03 1 116 THR 0.51 0.73 1 117 THR 0.27 0.59 1 118 VAL -2.58 1.21 1 119 THR -0.44 0.17 1 120 SER -3.95 0.94 1 121 THR 1.19 -0.68 1 122 SER -1.70 0.77 1 123 THR 2.36 -0.61 1 124 PHE 0.04 1.24 1 126 THR -7.66 4.19 1 128 SER 4.64 -1.57 1 129 ALA 2.56 -0.15 1 130 ALA 3.49 -1.48 1 131 GLN 3.44 -1.08 1 132 GLN 4.33 -1.07 1 133 ALA 4.01 -1.04 1 134 ILE 4.83 -2.28 1 135 ASP 4.32 -1.04 1 136 MET 0.54 -0.42 1 138 VAL 4.56 -1.74 1 139 GLU 3.65 -0.03 1 140 THR 5.05 -1.02 1 142 MET 4.69 -0.93 1 143 ASN 3.55 0.12 1 144 SER 3.97 -0.28 1 145 THR 5.77 -0.99 1 146 LEU 4.35 -1.14 1 147 ASN 4.07 -1.65 1 148 GLN 3.82 -1.64 1 149 LEU 6.43 -3.75 1 150 GLU 3.76 0.12 1 151 LYS 3.72 -0.29 1 152 LEU 3.26 -0.17 1 153 LEU 2.61 -0.70 1 154 ASN 0.49 0.06 1 155 GLN 1.63 -0.25 1 156 LYS 0.58 -0.63 1 157 LEU 0.32 -0.07 1 158 GLU -0.45 0.31 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17481_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.68 _LACS_plot.Line_1_terminator_val_y_1 0.97 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -0.09 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.36 _LACS_plot.Line_2_terminator_val_x_2 6.43 _LACS_plot.Line_2_terminator_val_y_2 -0.64 _LACS_plot.Y_axis_chem_shift_offset -0.13 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 51 ALA 0.76 -1.61 0 30 ARG 4.18 -1.99 0 92 SER 2.61 -1.96 0 10 ILE -2.29 0.71 1 11 ILE -1.83 1.09 1 12 PHE -5.51 0.91 1 13 THR -3.08 1.08 1 14 ARG -4.28 -0.02 1 15 THR -0.79 0.84 1 16 PHE -4.81 0.24 1 17 SER 0.69 0.27 1 18 ALA -4.16 0.14 1 20 ILE 5.51 -0.04 1 21 ASN 5.09 -0.61 1 22 LYS 2.71 -0.26 1 23 VAL 5.35 -0.80 1 24 PHE 4.88 -1.23 1 25 ASP 3.72 -0.39 1 26 ALA 3.45 -0.18 1 27 TYR 0.39 0.05 1 28 THR -1.55 0.05 1 29 LYS -1.42 0.55 1 31 GLU 3.74 -0.21 1 32 LEU 0.87 0.12 1 33 PHE 3.23 -0.74 1 34 GLU 0.62 -0.68 1 35 GLN 0.22 0.01 1 36 TRP -2.99 0.09 1 37 PHE 6.03 -1.69 1 38 HIS 0.34 -0.68 1 41 ASP 2.80 -0.21 1 42 ALA -6.43 0.67 1 43 SER -4.18 -0.31 1 44 VAL -5.85 1.31 1 45 THR -1.28 -0.09 1 46 VAL 0.60 -0.16 1 47 TYR 0.80 0.06 1 48 ASP -3.93 0.31 1 49 PHE -0.07 -0.24 1 50 ASN -0.50 -0.15 1 52 THR -4.36 -0.21 1 53 LYS 4.52 -0.81 1 56 SER -3.94 1.26 1 57 ALA -6.59 0.51 1 58 PHE -5.41 1.59 1 59 TYR -5.48 0.61 1 60 ALA -7.56 1.01 1 61 ILE -1.48 0.69 1 62 GLN -1.34 0.40 1 63 ALA -2.29 0.22 1 65 GLN 0.69 0.01 1 66 MET -1.97 0.22 1 67 ILE -2.74 0.85 1 68 SER -3.68 0.32 1 69 TYR -2.32 0.65 1 70 THR -3.30 0.64 1 71 ILE -5.36 1.08 1 72 ALA -6.34 1.63 1 73 GLU -4.37 0.39 1 74 TYR 1.17 -0.30 1 75 LEU 0.11 0.21 1 76 GLN -2.82 0.25 1 77 VAL -1.27 0.44 1 78 ASP -3.12 0.60 1 79 ALA -1.26 -1.31 1 81 TYR -1.79 0.68 1 82 TYR -4.60 1.57 1 83 ILE -4.73 0.40 1 84 GLU -6.03 0.75 1 85 TYR -4.29 0.64 1 86 LEU -6.41 0.62 1 87 ASP -4.07 0.69 1 88 TYR -2.69 0.34 1 89 PHE 1.37 0.22 1 90 ALA -7.68 1.14 1 91 THR -5.25 0.35 1 93 LYS -0.33 -0.08 1 95 GLU -3.90 -0.07 1 96 LYS 1.40 -0.27 1 97 ASP -0.70 0.10 1 98 THR 1.98 0.23 1 99 SER 2.26 -0.11 1 100 MET -2.83 0.32 1 103 MET -2.81 -0.02 1 104 HIS -1.91 -0.13 1 105 ILE -3.36 0.72 1 106 THR -4.73 0.68 1 107 LEU -5.45 0.78 1 108 ASN -5.07 1.04 1 113 LYS 3.31 -0.45 1 115 LYS -2.65 0.76 1 116 THR 0.51 0.96 1 117 THR 0.27 0.70 1 118 VAL -2.58 0.52 1 119 THR -0.44 0.69 1 120 SER -3.95 1.19 1 121 THR 1.19 0.83 1 122 SER -1.70 0.74 1 123 THR 2.36 0.28 1 124 PHE 0.04 -0.22 1 126 THR -7.66 0.40 1 128 SER 4.64 -0.31 1 129 ALA 2.56 -0.15 1 130 ALA 3.49 -1.74 1 131 GLN 3.44 -0.72 1 132 GLN 4.33 -0.28 1 133 ALA 4.01 -0.23 1 134 ILE 4.83 0.46 1 135 ASP 4.32 -0.25 1 136 MET 0.54 0.06 1 138 VAL 4.56 -0.03 1 139 GLU 3.65 -0.51 1 140 THR 5.05 -0.25 1 142 MET 4.69 -0.49 1 143 ASN 3.55 -0.24 1 144 SER 3.97 -0.18 1 145 THR 5.77 -0.17 1 146 LEU 4.35 0.00 1 147 ASN 4.07 -0.14 1 148 GLN 3.82 -0.18 1 149 LEU 6.43 -0.97 1 150 GLU 3.76 -0.60 1 151 LYS 3.72 -0.29 1 152 LEU 3.26 -0.25 1 153 LEU 2.61 -0.45 1 154 ASN 0.49 0.02 1 155 GLN 1.63 -0.13 1 156 LYS 0.58 0.02 1 157 LEU 0.32 -0.02 1 158 GLU -0.45 -0.15 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17481_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.68 _LACS_plot.Line_1_terminator_val_y_1 -2.99 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 0.50 _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 6.43 _LACS_plot.Line_2_terminator_val_y_2 2.24 _LACS_plot.Y_axis_chem_shift_offset 0.27 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 37 PHE 6.03 -4.86 0 10 ILE -2.29 -1.24 1 11 ILE -1.83 -1.24 1 12 PHE -5.51 -1.17 1 13 THR -3.08 -1.76 1 14 ARG -4.28 -3.36 1 15 THR -0.79 -1.53 1 17 SER 0.69 -1.37 1 20 ILE 5.51 -0.30 1 21 ASN 5.09 1.77 1 22 LYS 2.71 1.90 1 23 VAL 5.35 0.27 1 24 PHE 4.88 4.81 1 25 ASP 3.72 1.09 1 26 ALA 3.45 0.88 1 27 TYR 0.39 1.08 1 28 THR -1.55 -1.06 1 29 LYS -1.42 -0.21 1 30 ARG 4.18 -0.67 1 31 GLU 3.74 1.26 1 32 LEU 0.87 -0.50 1 33 PHE 3.23 0.77 1 34 GLU 0.62 -0.79 1 35 GLN 0.22 0.92 1 36 TRP -2.99 -1.93 1 41 ASP 2.80 -2.49 1 42 ALA -6.43 -2.58 1 44 VAL -5.85 -2.19 1 45 THR -1.28 -2.12 1 46 VAL 0.60 -1.78 1 47 TYR 0.80 0.08 1 49 PHE -0.07 -3.27 1 50 ASN -0.50 -2.79 1 51 ALA 0.76 -4.16 1 52 THR -4.36 -1.88 1 53 LYS 4.52 1.02 1 56 SER -3.94 -1.66 1 57 ALA -6.59 -2.76 1 58 PHE -5.41 -1.58 1 59 TYR -5.48 -4.96 1 60 ALA -7.56 -0.94 1 61 ILE -1.48 -0.94 1 62 GLN -1.34 -2.54 1 65 GLN 0.69 -0.60 1 66 MET -1.97 -3.36 1 67 ILE -2.74 -2.12 1 68 SER -3.68 -2.25 1 69 TYR -2.32 -0.56 1 70 THR -3.30 -1.53 1 71 ILE -5.36 -2.82 1 72 ALA -6.34 -0.47 1 73 GLU -4.37 -0.85 1 74 TYR 1.17 0.49 1 75 LEU 0.11 0.14 1 76 GLN -2.82 -1.19 1 77 VAL -1.27 -2.66 1 78 ASP -3.12 -1.78 1 81 TYR -1.79 2.37 1 82 TYR -4.60 -2.26 1 83 ILE -4.73 -3.93 1 84 GLU -6.03 -1.56 1 85 TYR -4.29 -5.60 1 86 LEU -6.41 -2.26 1 87 ASP -4.07 -0.08 1 88 TYR -2.69 1.02 1 89 PHE 1.37 0.01 1 90 ALA -7.68 -1.23 1 91 THR -5.25 1.46 1 92 SER 2.61 0.21 1 93 LYS -0.33 0.20 1 95 GLU -3.90 -0.79 1 96 LYS 1.40 -0.38 1 97 ASP -0.70 0.97 1 98 THR 1.98 0.81 1 99 SER 2.26 -0.73 1 103 MET -2.81 -2.54 1 104 HIS -1.91 -0.58 1 105 ILE -3.36 -1.77 1 106 THR -4.73 -1.12 1 107 LEU -5.45 -3.26 1 108 ASN -5.07 -1.68 1 113 LYS 3.31 -0.27 1 115 LYS -2.65 -0.09 1 116 THR 0.51 -0.07 1 117 THR 0.27 -0.89 1 118 VAL -2.58 -1.20 1 119 THR -0.44 0.11 1 120 SER -3.95 -0.20 1 121 THR 1.19 -0.24 1 122 SER -1.70 -1.14 1 123 THR 2.36 -0.65 1 128 SER 4.64 2.20 1 129 ALA 2.56 1.87 1 130 ALA 3.49 0.35 1 131 GLN 3.44 1.39 1 132 GLN 4.33 1.62 1 133 ALA 4.01 2.64 1 134 ILE 4.83 4.74 1 135 ASP 4.32 1.56 1 136 MET 0.54 0.74 1 138 VAL 4.56 -0.32 1 139 GLU 3.65 1.08 1 140 THR 5.05 2.92 1 142 MET 4.69 2.20 1 143 ASN 3.55 2.36 1 144 SER 3.97 2.96 1 145 THR 5.77 2.51 1 146 LEU 4.35 1.96 1 147 ASN 4.07 3.83 1 148 GLN 3.82 3.32 1 149 LEU 6.43 -0.33 1 150 GLU 3.76 1.20 1 151 LYS 3.72 2.25 1 152 LEU 3.26 1.84 1 153 LEU 2.61 0.61 1 154 ASN 0.49 0.67 1 155 GLN 1.63 0.33 1 156 LYS 0.58 -0.09 1 157 LEU 0.32 -0.39 1 158 GLU -0.45 -4.25 1 stop_ save_