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 bmr17354_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.38 _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 0.23 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.47 _LACS_plot.Line_2_terminator_val_x_2 6.64 _LACS_plot.Line_2_terminator_val_y_2 5.34 _LACS_plot.Y_axis_chem_shift_offset 0.15 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 135 MET -7.38 -2.96 0 99 PHE -6.44 -1.55 0 10 ALA 3.96 2.87 1 11 GLU 3.12 2.70 1 12 PHE 2.91 -0.09 1 13 LYS 5.31 3.63 1 14 ASP 3.40 3.08 1 15 ALA 1.81 2.30 1 16 PHE 3.24 4.65 1 17 VAL 4.45 3.24 1 18 GLN 3.53 2.06 1 19 PHE 0.90 1.06 1 20 ASP -0.71 -1.98 1 21 LYS 3.39 2.52 1 22 GLU -0.57 -0.39 1 24 THR -0.40 0.47 1 26 LYS -5.48 -1.54 1 27 ILE -5.59 -2.78 1 28 ALA -1.36 -1.10 1 29 THR 6.51 4.01 1 30 ARG 3.59 2.12 1 31 GLU -0.70 -0.73 1 32 LEU 3.70 3.49 1 34 THR 5.67 4.26 1 35 LEU 5.48 3.30 1 36 MET 5.94 5.86 1 37 ARG 3.93 3.37 1 38 THR 5.04 4.41 1 39 LEU -1.11 -0.74 1 41 GLN -3.08 -2.19 1 42 ASN -1.02 -0.26 1 44 THR -1.90 -0.89 1 45 GLU 4.22 3.42 1 46 ALA 3.26 2.52 1 47 GLU 2.29 2.21 1 48 LEU 3.50 2.99 1 49 GLN 4.69 3.20 1 50 ASP 3.59 3.08 1 51 LEU 2.61 2.67 1 52 ILE 3.74 3.45 1 53 ALA 3.60 2.82 1 54 GLU 2.68 2.14 1 55 ALA 1.66 1.33 1 56 GLU 2.67 2.04 1 57 ASN 1.01 1.37 1 58 ASN 0.05 0.84 1 59 ASN -0.27 0.36 1 60 ASN 1.51 0.88 1 62 GLN -5.54 -1.43 1 63 LEU -5.16 -1.40 1 64 ASN -2.54 -2.17 1 65 PHE 4.81 4.32 1 66 THR 6.64 5.18 1 67 GLU 2.33 2.34 1 68 PHE 4.23 3.81 1 71 ILE 4.60 4.15 1 72 MET 3.16 0.64 1 73 ALA 3.82 2.72 1 74 LYS 3.58 2.93 1 75 GLN 2.80 1.60 1 76 MET 1.22 1.73 1 77 ARG 1.49 1.26 1 78 GLU 0.31 0.44 1 79 THR 0.72 0.67 1 80 ASP 0.53 0.61 1 81 THR 1.10 1.29 1 82 GLU 3.08 2.59 1 83 GLU 3.56 3.06 1 84 GLU 3.19 2.81 1 85 MET 3.52 3.56 1 86 ARG 4.69 3.56 1 87 GLU 3.13 2.50 1 88 ALA 3.85 2.69 1 89 PHE 4.54 4.40 1 90 LYS 3.27 2.84 1 91 ILE 3.95 2.56 1 92 PHE 1.46 2.22 1 93 ASP 0.69 -2.08 1 94 ARG 3.17 2.85 1 95 ASP 0.00 -1.19 1 97 ASP 0.55 -0.11 1 100 ILE -0.61 -0.57 1 101 SER -0.74 -0.50 1 103 ALA 3.10 2.66 1 104 GLU 3.43 2.84 1 105 LEU 3.48 3.24 1 106 ARG 4.52 4.25 1 107 PHE 3.76 3.83 1 108 VAL 5.54 4.31 1 109 MET 4.53 3.46 1 110 ILE 4.52 3.06 1 111 ASN 3.36 3.16 1 112 LEU 0.28 0.26 1 114 GLU -1.62 -1.02 1 115 LYS 1.16 -0.50 1 116 VAL -3.93 -2.17 1 117 THR -3.50 -1.63 1 118 ASP 4.96 3.82 1 119 GLU 4.27 3.43 1 120 GLU 2.45 2.55 1 121 ILE 4.86 2.27 1 122 ASP 4.06 3.52 1 123 GLU 2.97 2.72 1 124 MET 3.21 3.93 1 125 ILE 5.02 3.31 1 126 ARG 4.43 3.73 1 127 GLU 1.89 2.06 1 128 ALA -2.44 -0.77 1 129 ASP 0.37 -1.19 1 130 PHE 2.41 1.82 1 131 ASP 0.41 -0.82 1 133 ASP 0.46 -0.53 1 136 ILE -2.02 -2.77 1 137 ASN -1.00 -1.91 1 138 TYR 6.02 5.07 1 139 GLU 4.70 3.92 1 140 GLU 2.30 2.16 1 141 PHE 3.70 3.64 1 142 VAL 5.48 4.25 1 143 TRP 5.44 4.57 1 144 MET 3.04 4.30 1 145 ILE 2.31 0.68 1 146 SER 1.58 1.37 1 147 GLN 0.39 -0.39 1 148 LYS 1.29 1.47 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17354_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.38 _LACS_plot.Line_1_terminator_val_y_1 4.65 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.77 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.53 _LACS_plot.Line_2_terminator_val_x_2 6.64 _LACS_plot.Line_2_terminator_val_y_2 -1.30 _LACS_plot.Y_axis_chem_shift_offset 0.15 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 135 MET -7.38 4.42 0 99 PHE -6.44 4.89 0 10 ALA 3.96 -1.09 1 11 GLU 3.12 -0.42 1 12 PHE 2.91 -3.00 1 13 LYS 5.31 -1.68 1 14 ASP 3.40 -0.32 1 15 ALA 1.81 0.49 1 16 PHE 3.24 1.41 1 17 VAL 4.45 -1.21 1 18 GLN 3.53 -1.47 1 19 PHE 0.90 0.16 1 20 ASP -0.71 -1.27 1 21 LYS 3.39 -0.87 1 22 GLU -0.57 0.18 1 24 THR -0.40 0.87 1 26 LYS -5.48 3.94 1 27 ILE -5.59 2.81 1 28 ALA -1.36 0.26 1 29 THR 6.51 -2.50 1 30 ARG 3.59 -1.47 1 31 GLU -0.70 -0.03 1 32 LEU 3.70 -0.21 1 34 THR 5.67 -1.41 1 35 LEU 5.48 -2.18 1 36 MET 5.94 -0.08 1 37 ARG 3.93 -0.56 1 38 THR 5.04 -0.63 1 39 LEU -1.11 0.37 1 41 GLN -3.08 0.89 1 42 ASN -1.02 0.76 1 44 THR -1.90 1.01 1 45 GLU 4.22 -0.80 1 46 ALA 3.26 -0.74 1 47 GLU 2.29 -0.08 1 48 LEU 3.50 -0.51 1 49 GLN 4.69 -1.49 1 50 ASP 3.59 -0.51 1 51 LEU 2.61 0.06 1 52 ILE 3.74 -0.29 1 53 ALA 3.60 -0.78 1 54 GLU 2.68 -0.54 1 55 ALA 1.66 -0.33 1 56 GLU 2.67 -0.63 1 57 ASN 1.01 0.36 1 58 ASN 0.05 0.79 1 59 ASN -0.27 0.63 1 60 ASN 1.51 -0.63 1 62 GLN -5.54 4.11 1 63 LEU -5.16 3.76 1 64 ASN -2.54 0.37 1 65 PHE 4.81 -0.49 1 66 THR 6.64 -1.46 1 67 GLU 2.33 0.01 1 68 PHE 4.23 -0.42 1 71 ILE 4.60 -0.45 1 72 MET 3.16 -2.52 1 73 ALA 3.82 -1.10 1 74 LYS 3.58 -0.65 1 75 GLN 2.80 -1.20 1 76 MET 1.22 0.51 1 77 ARG 1.49 -0.23 1 78 GLU 0.31 0.13 1 79 THR 0.72 -0.05 1 80 ASP 0.53 0.08 1 81 THR 1.10 0.19 1 82 GLU 3.08 -0.49 1 83 GLU 3.56 -0.50 1 84 GLU 3.19 -0.38 1 85 MET 3.52 0.04 1 86 ARG 4.69 -1.13 1 87 GLU 3.13 -0.63 1 88 ALA 3.85 -1.16 1 89 PHE 4.54 -0.14 1 90 LYS 3.27 -0.43 1 91 ILE 3.95 -1.39 1 92 PHE 1.46 0.76 1 93 ASP 0.69 -2.77 1 94 ARG 3.17 -0.32 1 95 ASP 0.00 -1.19 1 97 ASP 0.55 -0.66 1 100 ILE -0.61 0.04 1 101 SER -0.74 0.24 1 103 ALA 3.10 -0.44 1 104 GLU 3.43 -0.59 1 105 LEU 3.48 -0.24 1 106 ARG 4.52 -0.27 1 107 PHE 3.76 0.07 1 108 VAL 5.54 -1.23 1 109 MET 4.53 -1.07 1 110 ILE 4.52 -1.46 1 111 ASN 3.36 -0.20 1 112 LEU 0.28 -0.02 1 114 GLU -1.62 0.60 1 115 LYS 1.16 -1.66 1 116 VAL -3.93 1.76 1 117 THR -3.50 1.87 1 118 ASP 4.96 -1.14 1 119 GLU 4.27 -0.84 1 120 GLU 2.45 0.10 1 121 ILE 4.86 -2.59 1 122 ASP 4.06 -0.54 1 123 GLU 2.97 -0.25 1 124 MET 3.21 0.72 1 125 ILE 5.02 -1.71 1 126 ARG 4.43 -0.70 1 127 GLU 1.89 0.17 1 128 ALA -2.44 1.67 1 129 ASP 0.37 -1.56 1 130 PHE 2.41 -0.59 1 131 ASP 0.41 -1.23 1 133 ASP 0.46 -0.99 1 136 ILE -2.02 -0.75 1 137 ASN -1.00 -0.91 1 138 TYR 6.02 -0.95 1 139 GLU 4.70 -0.78 1 140 GLU 2.30 -0.14 1 141 PHE 3.70 -0.06 1 142 VAL 5.48 -1.23 1 143 TRP 5.44 -0.87 1 144 MET 3.04 1.26 1 145 ILE 2.31 -1.63 1 146 SER 1.58 -0.21 1 147 GLN 0.39 -0.78 1 148 LYS 1.29 0.18 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17354_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.38 _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 -0.20 _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 6.64 _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 135 MET -7.38 0.40 0 136 ILE -2.02 1.23 0 89 PHE 4.54 -1.53 0 10 ALA 3.96 -0.21 1 11 GLU 3.12 -0.19 1 12 PHE 2.91 0.28 1 13 LYS 5.31 -0.62 1 14 ASP 3.40 -0.24 1 15 ALA 1.81 0.04 1 16 PHE 3.24 -0.84 1 17 VAL 4.45 -0.23 1 18 GLN 3.53 -0.41 1 19 PHE 0.90 -0.37 1 20 ASP -0.71 0.27 1 21 LYS 3.39 -0.29 1 22 GLU -0.57 0.03 1 24 THR -0.40 -0.05 1 26 LYS -5.48 1.10 1 27 ILE -5.59 0.36 1 28 ALA -1.36 0.48 1 29 THR 6.51 -0.75 1 30 ARG 3.59 -0.11 1 31 GLU -0.70 0.27 1 32 LEU 3.70 -0.67 1 34 THR 5.67 -0.52 1 35 LEU 5.48 -0.67 1 36 MET 5.94 -0.72 1 37 ARG 3.93 0.26 1 38 THR 5.04 -0.14 1 39 LEU -1.11 0.24 1 41 GLN -3.08 0.08 1 42 ASN -1.02 0.12 1 44 THR -1.90 0.02 1 45 GLU 4.22 -0.35 1 46 ALA 3.26 -0.25 1 47 GLU 2.29 -0.34 1 48 LEU 3.50 -0.42 1 49 GLN 4.69 -0.45 1 50 ASP 3.59 -0.16 1 51 LEU 2.61 -0.28 1 52 ILE 3.74 -0.47 1 53 ALA 3.60 -0.21 1 54 GLU 2.68 -0.25 1 55 ALA 1.66 -0.02 1 56 GLU 2.67 -0.36 1 57 ASN 1.01 -0.07 1 58 ASN 0.05 0.06 1 59 ASN -0.27 0.15 1 60 ASN 1.51 -0.12 1 62 GLN -5.54 1.00 1 63 LEU -5.16 0.66 1 64 ASN -2.54 0.92 1 65 PHE 4.81 -1.00 1 66 THR 6.64 -0.75 1 67 GLU 2.33 -0.37 1 68 PHE 4.23 -0.54 1 71 ILE 4.60 -0.58 1 72 MET 3.16 -0.51 1 73 ALA 3.82 -0.34 1 74 LYS 3.58 -0.35 1 75 GLN 2.80 -0.33 1 76 MET 1.22 -0.28 1 77 ARG 1.49 -0.08 1 78 GLU 0.31 -0.01 1 79 THR 0.72 -0.04 1 80 ASP 0.53 0.11 1 81 THR 1.10 -0.03 1 82 GLU 3.08 -0.18 1 83 GLU 3.56 -0.33 1 84 GLU 3.19 -0.22 1 85 MET 3.52 0.03 1 86 ARG 4.69 -0.25 1 87 GLU 3.13 -0.28 1 88 ALA 3.85 -0.11 1 90 LYS 3.27 -0.45 1 91 ILE 3.95 -0.58 1 92 PHE 1.46 -0.38 1 93 ASP 0.69 -0.14 1 94 ARG 3.17 -0.48 1 95 ASP 0.00 -0.09 1 97 ASP 0.55 -0.17 1 99 PHE -6.44 0.55 1 100 ILE -0.61 0.60 1 101 SER -0.74 0.31 1 103 ALA 3.10 -0.22 1 104 GLU 3.43 -0.28 1 105 LEU 3.48 -0.21 1 106 ARG 4.52 -0.58 1 107 PHE 3.76 -0.54 1 108 VAL 5.54 -0.70 1 109 MET 4.53 -0.38 1 110 ILE 4.52 -0.20 1 111 ASN 3.36 -0.36 1 112 LEU 0.28 -0.03 1 114 GLU -1.62 -0.03 1 115 LYS 1.16 0.05 1 116 VAL -3.93 0.54 1 117 THR -3.50 0.24 1 118 ASP 4.96 -0.36 1 119 GLU 4.27 -0.23 1 120 GLU 2.45 -0.32 1 121 ILE 4.86 -0.36 1 122 ASP 4.06 -0.31 1 123 GLU 2.97 -0.34 1 124 MET 3.21 -0.36 1 125 ILE 5.02 -0.61 1 126 ARG 4.43 -0.41 1 127 GLU 1.89 -0.44 1 128 ALA -2.44 -0.18 1 129 ASP 0.37 -0.09 1 130 PHE 2.41 -0.30 1 131 ASP 0.41 -0.01 1 133 ASP 0.46 -0.20 1 137 ASN -1.00 0.47 1 138 TYR 6.02 -1.00 1 139 GLU 4.70 -0.68 1 140 GLU 2.30 -0.23 1 141 PHE 3.70 -0.55 1 142 VAL 5.48 -0.89 1 143 TRP 5.44 -0.63 1 144 MET 3.04 -0.76 1 145 ILE 2.31 -0.33 1 146 SER 1.58 -0.17 1 147 GLN 0.39 -0.39 1 148 LYS 1.29 -0.31 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17354_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.38 _LACS_plot.Line_1_terminator_val_y_1 -1.97 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.15 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.22 _LACS_plot.Line_2_terminator_val_x_2 6.64 _LACS_plot.Line_2_terminator_val_y_2 2.69 _LACS_plot.Y_axis_chem_shift_offset -0.47 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 37 ARG 3.93 5.11 0 135 MET -7.38 -1.49 0 148 LYS 1.29 4.64 0 10 ALA 3.96 2.46 1 11 GLU 3.12 3.66 1 12 PHE 2.91 2.56 1 13 LYS 5.31 0.86 1 14 ASP 3.40 1.96 1 15 ALA 1.81 1.06 1 16 PHE 3.24 1.90 1 17 VAL 4.45 2.06 1 18 GLN 3.53 0.86 1 19 PHE 0.90 -1.04 1 20 ASP -0.71 0.36 1 21 LYS 3.39 1.86 1 22 GLU -0.57 0.46 1 24 THR -0.40 1.96 1 26 LYS -5.48 -2.14 1 27 ILE -5.59 -1.54 1 28 ALA -1.36 1.61 1 29 THR 6.51 2.46 1 30 ARG 3.59 0.56 1 31 GLU -0.70 -0.84 1 32 LEU 3.70 0.16 1 34 THR 5.67 1.96 1 35 LEU 5.48 0.92 1 36 MET 5.94 2.23 1 38 THR 5.04 0.61 1 39 LEU -1.11 -0.71 1 41 GLN -3.08 0.63 1 42 ASN -1.02 -1.79 1 44 THR -1.90 0.19 1 45 GLU 4.22 2.32 1 46 ALA 3.26 2.61 1 47 GLU 2.29 3.22 1 48 LEU 3.50 0.50 1 49 GLN 4.69 2.68 1 50 ASP 3.59 2.23 1 51 LEU 2.61 2.09 1 52 ILE 3.74 0.57 1 53 ALA 3.60 2.31 1 54 GLU 2.68 1.35 1 55 ALA 1.66 2.20 1 56 GLU 2.67 0.55 1 62 GLN -5.54 -1.62 1 63 LEU -5.16 -1.83 1 64 ASN -2.54 0.41 1 65 PHE 4.81 1.46 1 66 THR 6.64 3.08 1 67 GLU 2.33 3.39 1 68 PHE 4.23 0.36 1 71 ILE 4.60 1.51 1 72 MET 3.16 2.14 1 73 ALA 3.82 2.11 1 74 LYS 3.58 1.83 1 75 GLN 2.80 1.66 1 76 MET 1.22 0.32 1 77 ARG 1.49 0.56 1 78 GLU 0.31 0.38 1 79 THR 0.72 -0.32 1 80 ASP 0.53 0.51 1 81 THR 1.10 0.74 1 82 GLU 3.08 1.16 1 83 GLU 3.56 2.31 1 84 GLU 3.19 3.14 1 85 MET 3.52 2.13 1 86 ARG 4.69 3.22 1 87 GLU 3.13 2.26 1 88 ALA 3.85 1.25 1 89 PHE 4.54 0.67 1 90 LYS 3.27 1.37 1 91 ILE 3.95 0.81 1 92 PHE 1.46 0.83 1 93 ASP 0.69 0.59 1 94 ARG 3.17 1.80 1 95 ASP 0.00 1.47 1 97 ASP 0.55 0.35 1 99 PHE -6.44 -1.24 1 100 ILE -0.61 -0.93 1 101 SER -0.74 0.32 1 103 ALA 3.10 3.61 1 104 GLU 3.43 2.06 1 105 LEU 3.48 0.59 1 106 ARG 4.52 0.63 1 107 PHE 3.76 2.12 1 108 VAL 5.54 1.46 1 109 MET 4.53 2.36 1 110 ILE 4.52 3.86 1 112 LEU 0.28 -0.04 1 114 GLU -1.62 -0.81 1 115 LYS 1.16 -0.96 1 116 VAL -3.93 -0.86 1 117 THR -3.50 0.61 1 118 ASP 4.96 2.10 1 119 GLU 4.27 2.46 1 120 GLU 2.45 3.03 1 121 ILE 4.86 0.74 1 122 ASP 4.06 2.67 1 123 GLU 2.97 1.31 1 124 MET 3.21 2.67 1 125 ILE 5.02 0.31 1 126 ARG 4.43 3.08 1 127 GLU 1.89 -0.25 1 128 ALA -2.44 -2.24 1 129 ASP 0.37 1.08 1 130 PHE 2.41 1.85 1 131 ASP 0.41 1.89 1 133 ASP 0.46 0.92 1 136 ILE -2.02 -0.31 1 137 ASN -1.00 -0.30 1 138 TYR 6.02 -0.16 1 139 GLU 4.70 3.74 1 140 GLU 2.30 1.57 1 141 PHE 3.70 0.28 1 142 VAL 5.48 2.97 1 143 TRP 5.44 2.28 1 144 MET 3.04 2.66 1 145 ILE 2.31 0.98 1 146 SER 1.58 -0.45 1 147 GLN 0.39 -1.02 1 stop_ save_