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 bmr17595_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.16 _LACS_plot.Line_1_terminator_val_y_1 -2.80 _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 -1.27 _LACS_plot.Line_2_terminator_val_x_2 6.21 _LACS_plot.Line_2_terminator_val_y_2 4.74 _LACS_plot.Y_axis_chem_shift_offset -0.12 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 93 LYS 5.08 0.51 0 10 VAL -0.57 -0.55 1 11 LEU -2.33 -1.00 1 12 ASP -3.46 -2.60 1 13 SER 4.49 3.52 1 14 SER 4.21 3.20 1 15 VAL 4.66 3.08 1 16 PHE 2.74 1.66 1 17 ILE 2.24 1.91 1 18 GLN 0.93 0.44 1 20 ILE 0.65 -0.52 1 21 ASP 0.24 -0.03 1 22 ILE -4.80 -1.87 1 23 GLU -4.65 -2.31 1 25 TYR -5.39 -1.31 1 26 THR -0.73 0.05 1 27 THR 1.48 -0.57 1 29 SER 5.50 3.08 1 30 VAL 6.13 4.60 1 31 VAL 6.21 4.28 1 32 GLU 1.30 1.57 1 33 GLU 0.92 0.88 1 34 ILE 2.84 0.02 1 35 LYS -1.19 -0.16 1 36 ASP -1.57 -0.16 1 37 ARG 3.99 3.51 1 38 GLU 4.23 3.37 1 39 SER 4.25 3.19 1 40 LYS 4.63 3.67 1 41 ILE 4.52 3.65 1 42 PHE 3.94 3.61 1 43 LEU 4.76 3.55 1 44 GLU 4.41 3.17 1 45 SER 4.55 3.04 1 46 LEU 3.67 3.22 1 47 ILE 3.59 3.25 1 48 SER 4.56 3.30 1 49 ALA -0.41 -0.12 1 51 LYS 1.54 2.33 1 52 VAL -4.05 -2.78 1 53 LYS -4.12 -2.30 1 54 ILE -0.45 -1.86 1 55 ALA -5.65 -1.65 1 56 GLU -4.89 -2.07 1 58 SER -1.52 -0.15 1 59 LYS 4.13 3.33 1 60 GLU 4.73 3.62 1 62 ILE 5.98 4.87 1 63 ASP 4.33 3.28 1 64 ARG 4.01 2.18 1 65 ILE 5.20 1.10 1 66 ILE 5.74 4.31 1 67 GLN 5.13 3.70 1 68 VAL 4.69 3.55 1 69 ALA 3.56 2.30 1 70 LYS 4.12 3.60 1 71 GLU 2.75 2.24 1 72 THR -0.04 0.53 1 74 GLU -0.91 -0.42 1 75 VAL 3.62 2.48 1 76 ASN 1.98 1.35 1 77 GLU -0.87 -0.57 1 78 LEU -2.21 -1.28 1 79 SER -3.87 -1.94 1 80 LYS 5.14 4.58 1 81 ALA 3.49 2.74 1 82 ASP 2.80 2.90 1 83 ILE 4.92 3.78 1 84 GLU 3.73 3.98 1 85 VAL 6.02 4.57 1 86 LEU 2.43 3.31 1 87 ALA 2.78 2.47 1 88 LEU 3.10 2.51 1 89 ALA 4.62 3.70 1 90 TYR 3.89 3.77 1 91 GLU 1.94 3.00 1 92 LEU -0.05 -0.48 1 95 GLU -5.21 -2.56 1 96 ILE -4.25 -1.33 1 97 PHE -4.23 -3.75 1 98 SER -2.16 -0.26 1 99 ASP -1.85 -0.86 1 100 ASP -2.03 0.10 1 101 TYR 3.17 2.86 1 102 ASN 4.30 3.34 1 103 VAL 5.73 4.31 1 104 GLN 5.51 3.26 1 105 ASN 3.59 3.42 1 106 ILE 5.73 2.46 1 107 ALA 5.34 3.70 1 108 SER 4.39 3.45 1 109 LEU 3.16 2.76 1 110 LEU -1.37 -0.15 1 112 LEU -2.15 -2.00 1 113 ARG -0.78 -0.35 1 114 PHE -5.66 -2.70 1 115 ARG -4.06 -1.86 1 116 THR -2.13 -1.68 1 117 LEU 0.19 0.28 1 118 LYS 0.51 0.11 1 119 ARG 0.08 0.11 1 121 ILE 0.07 0.00 1 122 LYS 0.17 0.09 1 123 LYS -0.13 -0.13 1 124 VAL -0.12 -0.14 1 125 ILE -0.17 -0.50 1 126 LYS -0.43 -0.42 1 127 TRP -2.79 -1.74 1 128 ARG -3.26 0.20 1 129 TYR -5.53 -1.44 1 130 VAL -6.16 -3.29 1 132 ILE 3.37 2.45 1 136 ARG 2.66 2.18 1 137 LYS -2.90 -1.53 1 138 PHE -5.45 -1.15 1 139 SER 1.76 2.02 1 140 THR -3.62 -2.05 1 141 LEU -0.26 0.14 1 146 VAL -5.46 -3.53 1 149 ASP 1.68 2.32 1 152 SER 1.42 0.92 1 153 LYS 0.76 1.00 1 154 VAL -2.23 -2.29 1 155 LYS -6.14 -2.35 1 156 LEU -0.15 0.50 1 157 ILE 0.77 1.33 1 159 ARG -0.42 -0.13 1 160 LYS -0.02 -0.02 1 161 ARG 0.92 1.48 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17595_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.16 _LACS_plot.Line_1_terminator_val_y_1 3.36 _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 0.73 _LACS_plot.Line_2_terminator_val_x_2 6.21 _LACS_plot.Line_2_terminator_val_y_2 -1.47 _LACS_plot.Y_axis_chem_shift_offset -0.12 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 93 LYS 5.08 -4.57 0 10 VAL -0.57 0.02 1 11 LEU -2.33 1.33 1 12 ASP -3.46 0.86 1 13 SER 4.49 -0.97 1 14 SER 4.21 -1.01 1 15 VAL 4.66 -1.58 1 16 PHE 2.74 -1.08 1 17 ILE 2.24 -0.33 1 18 GLN 0.93 -0.49 1 20 ILE 0.65 -1.17 1 21 ASP 0.24 -0.27 1 22 ILE -4.80 2.93 1 23 GLU -4.65 2.34 1 25 TYR -5.39 4.08 1 26 THR -0.73 0.78 1 27 THR 1.48 -2.05 1 29 SER 5.50 -2.42 1 30 VAL 6.13 -1.53 1 31 VAL 6.21 -1.93 1 32 GLU 1.30 0.27 1 33 GLU 0.92 -0.04 1 34 ILE 2.84 -2.82 1 35 LYS -1.19 1.03 1 36 ASP -1.57 1.41 1 37 ARG 3.99 -0.48 1 38 GLU 4.23 -0.86 1 39 SER 4.25 -1.06 1 40 LYS 4.63 -0.96 1 41 ILE 4.52 -0.87 1 42 PHE 3.94 -0.33 1 43 LEU 4.76 -1.21 1 44 GLU 4.41 -1.24 1 45 SER 4.55 -1.51 1 46 LEU 3.67 -0.45 1 47 ILE 3.59 -0.34 1 48 SER 4.56 -1.26 1 49 ALA -0.41 0.29 1 51 LYS 1.54 0.79 1 52 VAL -4.05 1.27 1 53 LYS -4.12 1.82 1 54 ILE -0.45 -1.41 1 55 ALA -5.65 4.00 1 56 GLU -4.89 2.82 1 58 SER -1.52 1.37 1 59 LYS 4.13 -0.80 1 60 GLU 4.73 -1.11 1 62 ILE 5.98 -1.11 1 63 ASP 4.33 -1.05 1 64 ARG 4.01 -1.83 1 65 ILE 5.20 -4.10 1 66 ILE 5.74 -1.43 1 67 GLN 5.13 -1.43 1 68 VAL 4.69 -1.14 1 69 ALA 3.56 -1.26 1 70 LYS 4.12 -0.52 1 71 GLU 2.75 -0.51 1 72 THR -0.04 0.57 1 74 GLU -0.91 0.49 1 75 VAL 3.62 -1.14 1 76 ASN 1.98 -0.63 1 77 GLU -0.87 0.30 1 78 LEU -2.21 0.93 1 79 SER -3.87 1.93 1 80 LYS 5.14 -0.56 1 81 ALA 3.49 -0.75 1 82 ASP 2.80 0.10 1 83 ILE 4.92 -1.14 1 84 GLU 3.73 0.25 1 85 VAL 6.02 -1.45 1 86 LEU 2.43 0.88 1 87 ALA 2.78 -0.31 1 88 LEU 3.10 -0.59 1 89 ALA 4.62 -0.92 1 90 TYR 3.89 -0.12 1 91 GLU 1.94 1.06 1 92 LEU -0.05 -0.43 1 95 GLU -5.21 2.65 1 96 ILE -4.25 2.92 1 97 PHE -4.23 0.48 1 98 SER -2.16 1.90 1 99 ASP -1.85 0.99 1 100 ASP -2.03 2.13 1 101 TYR 3.17 -0.31 1 102 ASN 4.30 -0.96 1 103 VAL 5.73 -1.42 1 104 GLN 5.51 -2.25 1 105 ASN 3.59 -0.17 1 106 ILE 5.73 -3.27 1 107 ALA 5.34 -1.64 1 108 SER 4.39 -0.94 1 109 LEU 3.16 -0.40 1 110 LEU -1.37 1.22 1 112 LEU -2.15 0.15 1 113 ARG -0.78 0.43 1 114 PHE -5.66 2.96 1 115 ARG -4.06 2.20 1 116 THR -2.13 0.45 1 117 LEU 0.19 0.09 1 118 LYS 0.51 -0.40 1 119 ARG 0.08 0.03 1 121 ILE 0.07 -0.07 1 122 LYS 0.17 -0.08 1 123 LYS -0.13 0.00 1 124 VAL -0.12 -0.02 1 125 ILE -0.17 -0.33 1 126 LYS -0.43 0.01 1 127 TRP -2.79 1.05 1 128 ARG -3.26 3.46 1 129 TYR -5.53 4.09 1 130 VAL -6.16 2.87 1 132 ILE 3.37 -0.92 1 136 ARG 2.66 -0.48 1 137 LYS -2.90 1.37 1 138 PHE -5.45 4.30 1 139 SER 1.76 0.26 1 140 THR -3.62 1.57 1 141 LEU -0.26 0.40 1 146 VAL -5.46 1.93 1 149 ASP 1.68 0.64 1 152 SER 1.42 -0.50 1 153 LYS 0.76 0.24 1 154 VAL -2.23 -0.06 1 155 LYS -6.14 3.79 1 156 LEU -0.15 0.65 1 157 ILE 0.77 0.56 1 159 ARG -0.42 0.29 1 160 LYS -0.02 0.00 1 161 ARG 0.92 0.56 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17595_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.16 _LACS_plot.Line_1_terminator_val_y_1 0.61 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.20 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.19 _LACS_plot.Line_2_terminator_val_x_2 6.21 _LACS_plot.Line_2_terminator_val_y_2 -0.61 _LACS_plot.Y_axis_chem_shift_offset 0.00 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 141 LEU -0.26 -1.41 0 27 THR 1.48 1.35 0 10 VAL -0.57 0.78 1 11 LEU -2.33 0.35 1 12 ASP -3.46 0.44 1 13 SER 4.49 -0.39 1 14 SER 4.21 -0.40 1 15 VAL 4.66 -0.91 1 16 PHE 2.74 -0.02 1 17 ILE 2.24 -0.03 1 18 GLN 0.93 -0.30 1 20 ILE 0.65 -0.30 1 21 ASP 0.24 -0.10 1 22 ILE -4.80 0.19 1 23 GLU -4.65 0.35 1 25 TYR -5.39 1.19 1 26 THR -0.73 0.43 1 29 SER 5.50 -0.18 1 30 VAL 6.13 -0.43 1 31 VAL 6.21 -0.86 1 32 GLU 1.30 -0.38 1 33 GLU 0.92 -0.14 1 34 ILE 2.84 -0.15 1 35 LYS -1.19 0.08 1 36 ASP -1.57 0.01 1 37 ARG 3.99 -0.41 1 38 GLU 4.23 -0.34 1 39 SER 4.25 0.01 1 40 LYS 4.63 -0.48 1 41 ILE 4.52 -0.37 1 42 PHE 3.94 -0.25 1 43 LEU 4.76 -0.70 1 44 GLU 4.41 -0.57 1 45 SER 4.55 -0.17 1 46 LEU 3.67 -0.31 1 47 ILE 3.59 0.07 1 48 SER 4.56 -0.28 1 49 ALA -0.41 0.07 1 51 LYS 1.54 -0.23 1 52 VAL -4.05 0.86 1 53 LYS -4.12 0.12 1 54 ILE -0.45 0.41 1 55 ALA -5.65 0.43 1 56 GLU -4.89 0.33 1 58 SER -1.52 -0.05 1 59 LYS 4.13 -0.40 1 60 GLU 4.73 -0.26 1 62 ILE 5.98 -0.83 1 63 ASP 4.33 -0.32 1 64 ARG 4.01 -0.31 1 65 ILE 5.20 -0.67 1 66 ILE 5.74 -0.71 1 67 GLN 5.13 -0.38 1 68 VAL 4.69 -0.30 1 69 ALA 3.56 -0.38 1 70 LYS 4.12 -0.30 1 71 GLU 2.75 -0.22 1 72 THR -0.04 0.00 1 74 GLU -0.91 0.17 1 75 VAL 3.62 -0.42 1 76 ASN 1.98 -0.09 1 77 GLU -0.87 0.01 1 78 LEU -2.21 0.33 1 79 SER -3.87 0.09 1 80 LYS 5.14 -0.37 1 81 ALA 3.49 -0.35 1 82 ASP 2.80 -0.48 1 83 ILE 4.92 -0.67 1 84 GLU 3.73 -0.53 1 85 VAL 6.02 -0.50 1 86 LEU 2.43 -0.55 1 87 ALA 2.78 -0.45 1 88 LEU 3.10 -0.27 1 89 ALA 4.62 -0.63 1 90 TYR 3.89 -0.40 1 91 GLU 1.94 -0.55 1 92 LEU -0.05 -0.19 1 93 LYS 5.08 -0.57 1 95 GLU -5.21 0.51 1 96 ILE -4.25 0.72 1 97 PHE -4.23 0.74 1 98 SER -2.16 0.01 1 99 ASP -1.85 0.20 1 100 ASP -2.03 -0.12 1 101 TYR 3.17 -0.63 1 102 ASN 4.30 -0.41 1 103 VAL 5.73 -0.70 1 104 GLN 5.51 -1.43 1 105 ASN 3.59 -0.48 1 106 ILE 5.73 -0.49 1 107 ALA 5.34 -0.50 1 108 SER 4.39 -0.07 1 109 LEU 3.16 -0.20 1 110 LEU -1.37 0.01 1 112 LEU -2.15 0.26 1 113 ARG -0.78 -0.08 1 114 PHE -5.66 1.14 1 115 ARG -4.06 0.18 1 116 THR -2.13 0.27 1 117 LEU 0.19 0.07 1 118 LYS 0.51 -0.04 1 119 ARG 0.08 0.02 1 121 ILE 0.07 0.00 1 122 LYS 0.17 -0.01 1 123 LYS -0.13 -0.03 1 124 VAL -0.12 -0.10 1 125 ILE -0.17 -0.24 1 126 LYS -0.43 -0.20 1 127 TRP -2.79 0.07 1 128 ARG -3.26 0.20 1 129 TYR -5.53 0.95 1 130 VAL -6.16 1.28 1 132 ILE 3.37 -0.01 1 136 ARG 2.66 -0.55 1 137 LYS -2.90 0.77 1 138 PHE -5.45 0.60 1 139 SER 1.76 0.44 1 140 THR -3.62 0.32 1 146 VAL -5.46 0.53 1 149 ASP 1.68 0.13 1 152 SER 1.42 0.06 1 153 LYS 0.76 0.06 1 154 VAL -2.23 0.79 1 155 LYS -6.14 0.65 1 156 LEU -0.15 -0.12 1 157 ILE 0.77 -0.36 1 159 ARG -0.42 -0.02 1 160 LYS -0.02 0.02 1 161 ARG 0.92 -0.18 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17595_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.16 _LACS_plot.Line_1_terminator_val_y_1 -2.59 _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 -0.98 _LACS_plot.Line_2_terminator_val_x_2 6.21 _LACS_plot.Line_2_terminator_val_y_2 2.16 _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 47 ILE 3.59 5.07 0 22 ILE -4.80 -5.65 0 161 ARG 0.92 4.40 0 138 PHE -5.45 1.46 0 10 VAL -0.57 -2.22 1 11 LEU -2.33 -2.49 1 12 ASP -3.46 -0.51 1 13 SER 4.49 1.76 1 14 SER 4.21 1.14 1 15 VAL 4.66 -0.12 1 16 PHE 2.74 2.25 1 17 ILE 2.24 0.97 1 18 GLN 0.93 0.28 1 20 ILE 0.65 -3.10 1 21 ASP 0.24 -1.84 1 23 GLU -4.65 -0.09 1 25 TYR -5.39 -0.04 1 26 THR -0.73 -3.17 1 27 THR 1.48 1.14 1 29 SER 5.50 2.57 1 30 VAL 6.13 1.12 1 31 VAL 6.21 2.55 1 32 GLU 1.30 0.76 1 33 GLU 0.92 0.33 1 34 ILE 2.84 -1.36 1 35 LYS -1.19 0.28 1 36 ASP -1.57 -0.44 1 37 ARG 3.99 1.52 1 38 GLU 4.23 3.15 1 39 SER 4.25 0.93 1 40 LYS 4.63 1.76 1 41 ILE 4.52 2.46 1 42 PHE 3.94 2.16 1 43 LEU 4.76 0.39 1 44 GLU 4.41 2.95 1 45 SER 4.55 2.15 1 46 LEU 3.67 2.78 1 48 SER 4.56 1.27 1 49 ALA -0.41 -0.12 1 51 LYS 1.54 -0.62 1 52 VAL -4.05 -2.17 1 53 LYS -4.12 -2.24 1 54 ILE -0.45 -0.41 1 55 ALA -5.65 -3.90 1 56 GLU -4.89 -0.19 1 58 SER -1.52 0.54 1 59 LYS 4.13 1.54 1 60 GLU 4.73 3.07 1 62 ILE 5.98 0.92 1 63 ASP 4.33 2.76 1 64 ARG 4.01 1.39 1 65 ILE 5.20 1.55 1 66 ILE 5.74 1.29 1 67 GLN 5.13 2.85 1 68 VAL 4.69 2.14 1 69 ALA 3.56 2.20 1 70 LYS 4.12 2.90 1 71 GLU 2.75 1.74 1 72 THR -0.04 1.07 1 74 GLU -0.91 0.40 1 75 VAL 3.62 -1.15 1 76 ASN 1.98 0.14 1 77 GLU -0.87 -0.69 1 78 LEU -2.21 -1.02 1 79 SER -3.87 -0.43 1 80 LYS 5.14 1.96 1 81 ALA 3.49 0.04 1 82 ASP 2.80 1.65 1 83 ILE 4.92 1.11 1 84 GLU 3.73 1.92 1 85 VAL 6.02 1.77 1 86 LEU 2.43 0.44 1 87 ALA 2.78 1.21 1 88 LEU 3.10 0.61 1 89 ALA 4.62 1.39 1 90 TYR 3.89 1.76 1 91 GLU 1.94 1.78 1 92 LEU -0.05 -1.13 1 93 LYS 5.08 0.27 1 95 GLU -5.21 0.30 1 96 ILE -4.25 -2.93 1 97 PHE -4.23 -2.38 1 98 SER -2.16 -0.89 1 99 ASP -1.85 -0.81 1 100 ASP -2.03 -0.24 1 101 TYR 3.17 1.11 1 102 ASN 4.30 2.61 1 103 VAL 5.73 1.15 1 104 GLN 5.51 1.75 1 105 ASN 3.59 2.56 1 106 ILE 5.73 0.95 1 107 ALA 5.34 1.71 1 108 SER 4.39 3.59 1 109 LEU 3.16 1.49 1 110 LEU -1.37 -0.78 1 112 LEU -2.15 -1.45 1 113 ARG -0.78 -1.59 1 114 PHE -5.66 -2.27 1 115 ARG -4.06 -3.01 1 116 THR -2.13 -0.76 1 117 LEU 0.19 -0.53 1 118 LYS 0.51 -0.43 1 119 ARG 0.08 0.26 1 121 ILE 0.07 -0.34 1 122 LYS 0.17 -0.63 1 123 LYS -0.13 -0.70 1 124 VAL -0.12 -0.75 1 125 ILE -0.17 -1.19 1 126 LYS -0.43 -1.07 1 127 TRP -2.79 -0.47 1 128 ARG -3.26 -1.82 1 129 TYR -5.53 -1.87 1 130 VAL -6.16 -3.89 1 132 ILE 3.37 -0.72 1 136 ARG 2.66 -2.71 1 137 LYS -2.90 -1.28 1 139 SER 1.76 -1.04 1 140 THR -3.62 -2.14 1 141 LEU -0.26 -1.13 1 146 VAL -5.46 -2.21 1 149 ASP 1.68 1.01 1 152 SER 1.42 -3.04 1 153 LYS 0.76 -1.97 1 154 VAL -2.23 -1.40 1 155 LYS -6.14 -1.26 1 156 LEU -0.15 -0.11 1 157 ILE 0.77 -0.54 1 159 ARG -0.42 -0.30 1 160 LYS -0.02 -1.25 1 stop_ save_