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 bmr17353_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.39 _LACS_plot.Line_1_terminator_val_y_1 -2.73 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.29 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.41 _LACS_plot.Line_2_terminator_val_x_2 6.56 _LACS_plot.Line_2_terminator_val_y_2 5.23 _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 135 MET -7.39 -2.95 0 99 PHE -6.41 -1.54 0 10 ALA 4.00 2.85 1 11 GLU 3.13 2.72 1 12 PHE 2.90 -0.12 1 13 LYS 5.37 3.65 1 14 ASP 3.44 3.09 1 15 ALA 1.89 2.30 1 16 PHE 3.28 4.65 1 17 VAL 4.45 3.23 1 18 GLN 3.59 2.07 1 19 PHE 0.90 1.02 1 20 ASP -0.64 -2.01 1 21 LYS 3.17 2.57 1 22 GLU -0.62 -0.44 1 24 THR -0.44 0.46 1 26 LYS -5.52 -1.56 1 27 ILE -5.60 -2.79 1 28 ALA -1.41 -1.15 1 29 THR 6.45 3.96 1 30 ARG 3.57 2.10 1 31 GLU -0.70 -0.75 1 32 LEU 3.78 3.47 1 34 THR 5.65 4.28 1 35 LEU 5.51 3.29 1 36 MET 5.88 5.87 1 37 ARG 4.02 3.33 1 38 THR 5.06 4.48 1 39 LEU -1.03 -0.74 1 41 GLN -2.94 -2.12 1 42 ASN -1.01 -0.19 1 44 THR -1.90 -0.86 1 45 GLU 4.16 3.38 1 46 ALA 3.32 2.52 1 47 GLU 2.23 2.20 1 48 LEU 3.44 2.93 1 49 GLN 4.65 3.18 1 50 ASP 3.63 3.09 1 51 LEU 2.57 2.69 1 52 ILE 3.46 3.18 1 53 ALA 3.77 2.94 1 54 GLU 2.91 2.37 1 55 ALA 1.98 1.61 1 56 GLU 2.87 2.38 1 57 ASN 1.41 1.73 1 58 ASN -0.01 0.98 1 59 ASN -0.64 0.14 1 60 ASN 1.76 1.05 1 62 GLN -5.62 -1.47 1 63 LEU -5.16 -1.38 1 64 ASN -2.54 -2.18 1 65 PHE 5.02 4.31 1 66 THR 6.57 5.19 1 67 GLU 2.47 2.34 1 68 PHE 4.32 3.86 1 71 ILE 4.66 4.11 1 72 MET 3.19 0.65 1 73 ALA 3.68 2.56 1 74 LYS 3.18 2.54 1 75 GLN 2.06 1.12 1 76 MET 0.72 1.07 1 77 ARG 0.79 0.74 1 78 GLU -0.28 0.09 1 79 THR 0.26 0.48 1 80 ASP 0.14 0.27 1 81 THR 2.06 1.77 1 82 GLU 2.42 2.07 1 83 GLU 3.10 2.71 1 84 GLU 3.33 2.99 1 85 MET 3.38 3.26 1 86 ARG 4.63 3.53 1 87 GLU 3.18 2.36 1 88 ALA 3.93 2.69 1 89 PHE 4.47 4.32 1 90 LYS 3.33 2.89 1 91 ILE 3.94 2.49 1 92 PHE 1.05 2.24 1 93 ASP 0.67 -2.05 1 94 ARG 3.18 2.79 1 95 ASP -0.02 -1.21 1 97 ASP 0.51 -0.15 1 100 ILE -0.55 -0.53 1 101 SER -0.81 -0.50 1 103 ALA 3.24 2.66 1 104 GLU 3.49 2.86 1 105 LEU 3.57 3.30 1 106 ARG 4.55 4.23 1 107 PHE 3.78 3.80 1 108 VAL 5.47 4.34 1 109 MET 4.42 3.42 1 110 ILE 4.55 3.10 1 111 ASN 3.28 2.98 1 112 LEU 0.40 0.45 1 114 GLU -1.52 -0.95 1 115 LYS 0.99 -0.59 1 116 VAL -3.87 -2.12 1 117 THR -3.43 -1.50 1 118 ASP 4.96 3.81 1 119 GLU 4.49 3.56 1 120 GLU 2.53 2.64 1 121 ILE 4.94 2.31 1 122 ASP 4.17 3.52 1 123 GLU 2.94 2.58 1 124 MET 3.29 3.95 1 125 ILE 5.05 3.30 1 126 ARG 4.44 3.74 1 127 GLU 1.93 2.10 1 128 ALA -2.37 -0.75 1 129 ASP 0.36 -1.19 1 130 PHE 2.48 1.85 1 131 ASP 0.43 -0.84 1 133 ASP 0.42 -0.55 1 136 ILE -2.03 -2.70 1 137 ASN -1.12 -1.94 1 138 TYR 6.04 5.01 1 139 GLU 4.73 3.95 1 140 GLU 2.30 2.17 1 141 PHE 3.80 3.70 1 142 VAL 5.61 4.32 1 143 TRP 5.45 4.49 1 144 MET 3.03 4.20 1 145 ILE 2.17 0.65 1 146 SER 1.49 1.39 1 147 GLN 0.40 -0.34 1 148 LYS 1.21 1.42 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17353_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.39 _LACS_plot.Line_1_terminator_val_y_1 4.66 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.71 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.59 _LACS_plot.Line_2_terminator_val_x_2 6.56 _LACS_plot.Line_2_terminator_val_y_2 -1.33 _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 135 MET -7.39 4.44 0 99 PHE -6.41 4.87 0 10 ALA 4.00 -1.15 1 11 GLU 3.13 -0.41 1 12 PHE 2.90 -3.02 1 13 LYS 5.37 -1.72 1 14 ASP 3.44 -0.35 1 15 ALA 1.89 0.41 1 16 PHE 3.28 1.37 1 17 VAL 4.45 -1.22 1 18 GLN 3.59 -1.52 1 19 PHE 0.90 0.12 1 20 ASP -0.64 -1.37 1 21 LYS 3.17 -0.60 1 22 GLU -0.62 0.18 1 24 THR -0.44 0.90 1 26 LYS -5.52 3.96 1 27 ILE -5.60 2.81 1 28 ALA -1.41 0.26 1 29 THR 6.45 -2.49 1 30 ARG 3.57 -1.47 1 31 GLU -0.70 -0.05 1 32 LEU 3.78 -0.31 1 34 THR 5.65 -1.37 1 35 LEU 5.51 -2.22 1 36 MET 5.88 -0.01 1 37 ARG 4.02 -0.69 1 38 THR 5.06 -0.58 1 39 LEU -1.03 0.29 1 41 GLN -2.94 0.82 1 42 ASN -1.01 0.82 1 44 THR -1.90 1.04 1 45 GLU 4.16 -0.78 1 46 ALA 3.32 -0.80 1 47 GLU 2.23 -0.03 1 48 LEU 3.44 -0.51 1 49 GLN 4.65 -1.47 1 50 ASP 3.63 -0.54 1 51 LEU 2.57 0.12 1 52 ILE 3.46 -0.28 1 53 ALA 3.77 -0.83 1 54 GLU 2.91 -0.54 1 55 ALA 1.98 -0.37 1 56 GLU 2.87 -0.49 1 57 ASN 1.41 0.32 1 58 ASN -0.01 0.99 1 59 ASN -0.64 0.78 1 60 ASN 1.76 -0.71 1 62 GLN -5.62 4.15 1 63 LEU -5.16 3.78 1 64 ASN -2.54 0.36 1 65 PHE 5.02 -0.71 1 66 THR 6.57 -1.38 1 67 GLU 2.47 -0.13 1 68 PHE 4.32 -0.46 1 71 ILE 4.66 -0.55 1 72 MET 3.19 -2.54 1 73 ALA 3.68 -1.12 1 74 LYS 3.18 -0.64 1 75 GLN 2.06 -0.94 1 76 MET 0.72 0.35 1 77 ARG 0.79 -0.05 1 78 GLU -0.28 0.37 1 79 THR 0.26 0.22 1 80 ASP 0.14 0.13 1 81 THR 2.06 -0.29 1 82 GLU 2.42 -0.35 1 83 GLU 3.10 -0.39 1 84 GLU 3.33 -0.34 1 85 MET 3.38 -0.12 1 86 ARG 4.63 -1.10 1 87 GLU 3.18 -0.82 1 88 ALA 3.93 -1.24 1 89 PHE 4.47 -0.15 1 90 LYS 3.33 -0.44 1 91 ILE 3.94 -1.45 1 92 PHE 1.05 1.19 1 93 ASP 0.67 -2.72 1 94 ARG 3.18 -0.39 1 95 ASP -0.02 -1.19 1 97 ASP 0.51 -0.66 1 100 ILE -0.55 0.02 1 101 SER -0.81 0.31 1 103 ALA 3.24 -0.58 1 104 GLU 3.49 -0.63 1 105 LEU 3.57 -0.27 1 106 ARG 4.55 -0.32 1 107 PHE 3.78 0.02 1 108 VAL 5.47 -1.13 1 109 MET 4.42 -1.00 1 110 ILE 4.55 -1.45 1 111 ASN 3.28 -0.30 1 112 LEU 0.40 0.05 1 114 GLU -1.52 0.57 1 115 LYS 0.99 -1.58 1 116 VAL -3.87 1.75 1 117 THR -3.43 1.93 1 118 ASP 4.96 -1.15 1 119 GLU 4.49 -0.93 1 120 GLU 2.53 0.11 1 121 ILE 4.94 -2.63 1 122 ASP 4.17 -0.65 1 123 GLU 2.94 -0.36 1 124 MET 3.29 0.66 1 125 ILE 5.05 -1.75 1 126 ARG 4.44 -0.70 1 127 GLU 1.93 0.17 1 128 ALA -2.37 1.62 1 129 ASP 0.36 -1.55 1 130 PHE 2.48 -0.63 1 131 ASP 0.43 -1.27 1 133 ASP 0.42 -0.97 1 136 ILE -2.03 -0.67 1 137 ASN -1.12 -0.82 1 138 TYR 6.04 -1.03 1 139 GLU 4.73 -0.78 1 140 GLU 2.30 -0.13 1 141 PHE 3.80 -0.10 1 142 VAL 5.61 -1.29 1 143 TRP 5.45 -0.96 1 144 MET 3.03 1.17 1 145 ILE 2.17 -1.52 1 146 SER 1.49 -0.10 1 147 GLN 0.40 -0.74 1 148 LYS 1.21 0.21 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17353_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.39 _LACS_plot.Line_1_terminator_val_y_1 0.75 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.21 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.25 _LACS_plot.Line_2_terminator_val_x_2 6.56 _LACS_plot.Line_2_terminator_val_y_2 -0.72 _LACS_plot.Y_axis_chem_shift_offset -0.01 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 136 ILE -2.03 1.22 0 89 PHE 4.47 -1.53 0 10 ALA 4.00 -0.22 1 11 GLU 3.13 -0.20 1 12 PHE 2.90 0.27 1 13 LYS 5.37 -0.63 1 14 ASP 3.44 -0.24 1 15 ALA 1.89 0.03 1 16 PHE 3.28 -0.84 1 17 VAL 4.45 -0.24 1 18 GLN 3.59 -0.41 1 19 PHE 0.90 -0.38 1 20 ASP -0.64 0.27 1 21 LYS 3.17 -0.30 1 22 GLU -0.62 0.03 1 24 THR -0.44 -0.03 1 26 LYS -5.52 1.09 1 27 ILE -5.60 0.38 1 28 ALA -1.41 0.48 1 29 THR 6.45 -0.76 1 30 ARG 3.57 -0.12 1 31 GLU -0.70 0.27 1 32 LEU 3.78 -0.68 1 34 THR 5.65 -0.53 1 35 LEU 5.51 -0.68 1 36 MET 5.88 -0.74 1 37 ARG 4.02 0.27 1 38 THR 5.06 -0.16 1 39 LEU -1.03 0.23 1 41 GLN -2.94 0.08 1 42 ASN -1.01 0.12 1 44 THR -1.90 0.01 1 45 GLU 4.16 -0.38 1 46 ALA 3.32 -0.26 1 47 GLU 2.23 -0.34 1 48 LEU 3.44 -0.42 1 49 GLN 4.65 -0.46 1 50 ASP 3.63 -0.16 1 51 LEU 2.57 -0.27 1 52 ILE 3.46 -0.40 1 53 ALA 3.77 -0.24 1 54 GLU 2.91 -0.27 1 55 ALA 1.98 -0.04 1 56 GLU 2.87 -0.40 1 57 ASN 1.41 -0.11 1 58 ASN -0.01 0.10 1 59 ASN -0.64 0.22 1 60 ASN 1.76 -0.16 1 62 GLN -5.62 1.00 1 63 LEU -5.16 0.64 1 64 ASN -2.54 0.91 1 65 PHE 5.02 -1.02 1 66 THR 6.57 -0.75 1 67 GLU 2.47 -0.39 1 68 PHE 4.32 -0.54 1 71 ILE 4.66 -0.60 1 72 MET 3.19 -0.51 1 73 ALA 3.68 -0.34 1 74 LYS 3.18 -0.31 1 75 GLN 2.06 -0.32 1 76 MET 0.72 -0.23 1 77 ARG 0.79 -0.07 1 78 GLU -0.28 0.00 1 79 THR 0.26 -0.05 1 80 ASP 0.14 0.08 1 81 THR 2.06 -0.08 1 82 GLU 2.42 -0.13 1 83 GLU 3.10 -0.31 1 84 GLU 3.33 -0.25 1 85 MET 3.38 0.06 1 86 ARG 4.63 -0.26 1 87 GLU 3.18 -0.30 1 88 ALA 3.93 -0.08 1 90 LYS 3.33 -0.47 1 91 ILE 3.94 -0.59 1 92 PHE 1.05 -0.39 1 93 ASP 0.67 -0.14 1 94 ARG 3.18 -0.49 1 95 ASP -0.02 -0.09 1 97 ASP 0.51 -0.17 1 99 PHE -6.41 0.54 1 100 ILE -0.55 0.58 1 101 SER -0.81 0.31 1 103 ALA 3.24 -0.23 1 104 GLU 3.49 -0.30 1 105 LEU 3.57 -0.19 1 106 ARG 4.55 -0.58 1 107 PHE 3.78 -0.56 1 108 VAL 5.47 -0.68 1 109 MET 4.42 -0.36 1 110 ILE 4.55 -0.22 1 111 ASN 3.28 -0.38 1 112 LEU 0.40 -0.05 1 114 GLU -1.52 -0.04 1 115 LYS 0.99 0.05 1 116 VAL -3.87 0.52 1 117 THR -3.43 0.23 1 118 ASP 4.96 -0.38 1 119 GLU 4.49 -0.26 1 120 GLU 2.53 -0.35 1 121 ILE 4.94 -0.36 1 122 ASP 4.17 -0.31 1 123 GLU 2.94 -0.30 1 124 MET 3.29 -0.38 1 125 ILE 5.05 -0.62 1 126 ARG 4.44 -0.42 1 127 GLU 1.93 -0.45 1 128 ALA -2.37 -0.17 1 129 ASP 0.36 -0.10 1 130 PHE 2.48 -0.30 1 131 ASP 0.43 -0.02 1 133 ASP 0.42 -0.21 1 135 MET -7.39 0.40 1 137 ASN -1.12 0.46 1 138 TYR 6.04 -1.01 1 139 GLU 4.73 -0.69 1 140 GLU 2.30 -0.23 1 141 PHE 3.80 -0.56 1 142 VAL 5.61 -0.91 1 143 TRP 5.45 -0.62 1 144 MET 3.03 -0.77 1 145 ILE 2.17 -0.32 1 146 SER 1.49 -0.18 1 147 GLN 0.40 -0.38 1 148 LYS 1.21 -0.33 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17353_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.39 _LACS_plot.Line_1_terminator_val_y_1 -2.02 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.29 _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 6.56 _LACS_plot.Line_2_terminator_val_y_2 2.91 _LACS_plot.Y_axis_chem_shift_offset -0.56 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 37 ARG 4.02 5.28 0 135 MET -7.39 -1.34 0 148 LYS 1.21 4.69 0 10 ALA 4.00 2.61 1 11 GLU 3.13 3.80 1 12 PHE 2.90 2.71 1 13 LYS 5.37 1.03 1 14 ASP 3.44 2.09 1 15 ALA 1.89 1.22 1 16 PHE 3.28 2.09 1 17 VAL 4.45 2.27 1 18 GLN 3.59 1.02 1 19 PHE 0.90 -0.94 1 20 ASP -0.64 0.54 1 21 LYS 3.17 2.10 1 22 GLU -0.62 0.61 1 24 THR -0.44 2.13 1 26 LYS -5.52 -2.01 1 27 ILE -5.60 -1.46 1 28 ALA -1.41 1.92 1 29 THR 6.45 2.68 1 30 ARG 3.57 0.71 1 31 GLU -0.70 -0.63 1 32 LEU 3.78 0.42 1 34 THR 5.65 2.20 1 35 LEU 5.51 1.01 1 36 MET 5.88 2.35 1 38 THR 5.06 0.73 1 39 LEU -1.03 -0.59 1 41 GLN -2.94 -2.12 1 42 ASN -1.01 -1.69 1 44 THR -1.90 0.38 1 45 GLU 4.16 2.50 1 46 ALA 3.32 2.67 1 47 GLU 2.23 3.41 1 48 LEU 3.44 0.67 1 49 GLN 4.65 2.83 1 50 ASP 3.63 2.46 1 51 LEU 2.57 2.28 1 52 ILE 3.46 0.57 1 53 ALA 3.77 2.34 1 54 GLU 2.91 1.74 1 55 ALA 1.98 3.06 1 56 GLU 2.87 0.99 1 57 ASN 1.41 1.24 1 58 ASN -0.01 0.42 1 59 ASN -0.64 0.57 1 60 ASN 1.76 0.36 1 62 GLN -5.62 -1.55 1 63 LEU -5.16 -1.66 1 64 ASN -2.54 0.56 1 65 PHE 5.02 1.64 1 66 THR 6.57 3.24 1 67 GLU 2.47 3.60 1 68 PHE 4.32 0.57 1 71 ILE 4.66 1.77 1 72 MET 3.19 2.38 1 73 ALA 3.68 2.22 1 74 LYS 3.18 1.73 1 75 GLN 2.06 1.23 1 76 MET 0.72 -0.05 1 77 ARG 0.79 0.27 1 78 GLU -0.28 0.34 1 79 THR 0.26 -0.32 1 80 ASP 0.14 0.77 1 81 THR 2.06 1.02 1 82 GLU 2.42 1.10 1 83 GLU 3.10 2.14 1 84 GLU 3.33 3.32 1 85 MET 3.38 2.22 1 86 ARG 4.63 3.47 1 87 GLU 3.18 2.43 1 88 ALA 3.93 1.65 1 89 PHE 4.47 0.96 1 90 LYS 3.33 1.51 1 91 ILE 3.94 1.04 1 92 PHE 1.05 1.02 1 93 ASP 0.67 0.75 1 94 ARG 3.18 1.98 1 95 ASP -0.02 1.64 1 97 ASP 0.51 0.54 1 99 PHE -6.41 -1.12 1 100 ILE -0.55 -0.72 1 101 SER -0.81 0.50 1 103 ALA 3.24 3.79 1 104 GLU 3.49 2.22 1 105 LEU 3.57 0.79 1 106 ARG 4.55 0.87 1 107 PHE 3.78 2.29 1 108 VAL 5.47 1.82 1 109 MET 4.42 2.53 1 110 ILE 4.55 4.01 1 111 ASN 3.28 1.67 1 112 LEU 0.40 0.23 1 114 GLU -1.52 -0.51 1 115 LYS 0.99 -0.91 1 116 VAL -3.87 -0.66 1 117 THR -3.43 0.76 1 118 ASP 4.96 2.26 1 119 GLU 4.49 2.72 1 120 GLU 2.53 3.28 1 121 ILE 4.94 0.97 1 122 ASP 4.17 3.01 1 123 GLU 2.94 1.43 1 124 MET 3.29 2.88 1 125 ILE 5.05 0.44 1 126 ARG 4.44 3.21 1 127 GLU 1.93 -0.03 1 128 ALA -2.37 -1.99 1 129 ASP 0.36 1.27 1 130 PHE 2.48 2.12 1 131 ASP 0.43 2.07 1 133 ASP 0.42 1.10 1 136 ILE -2.03 -0.12 1 137 ASN -1.12 -0.14 1 138 TYR 6.04 -0.01 1 139 GLU 4.73 3.90 1 140 GLU 2.30 1.75 1 141 PHE 3.80 0.45 1 142 VAL 5.61 3.15 1 143 TRP 5.45 2.46 1 144 MET 3.03 2.72 1 145 ILE 2.17 1.23 1 146 SER 1.49 -0.33 1 147 GLN 0.40 -0.87 1 stop_ save_