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 bmr16619_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -5.89 _LACS_plot.Line_1_terminator_val_y_1 -2.92 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.22 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.31 _LACS_plot.Line_2_terminator_val_x_2 7.69 _LACS_plot.Line_2_terminator_val_y_2 6.07 _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 20 ILE 6.12 1.51 0 10 GLU 3.36 3.10 1 11 ARG 3.41 4.03 1 12 THR 6.81 5.90 1 13 ARG 6.67 5.25 1 14 ARG 4.23 3.59 1 15 LEU 3.47 2.27 1 16 LEU 1.81 2.88 1 17 SER 4.90 4.12 1 18 ASP 1.36 3.59 1 19 TYR 3.22 4.46 1 21 PHE 7.70 5.30 1 22 PHE 5.36 3.88 1 24 ALA -2.51 -1.21 1 25 ARG 0.94 -0.05 1 26 GLU 1.33 1.10 1 28 ASP 2.18 0.61 1 29 THR -0.80 -0.14 1 31 GLU 0.35 0.85 1 35 THR -0.12 0.82 1 36 SER -2.76 -0.45 1 37 VAL 5.63 4.32 1 38 GLU 6.58 3.32 1 39 ALA 3.50 2.77 1 40 ALA 3.33 2.73 1 41 LEU 1.99 2.41 1 42 LEU 3.73 2.90 1 43 ARG 5.95 4.94 1 44 SER 4.04 3.32 1 45 VAL 4.33 3.73 1 46 THR 4.05 4.22 1 47 ARG 4.98 3.85 1 48 GLN 4.58 3.49 1 49 ILE 4.37 3.21 1 50 GLN 5.56 3.89 1 51 GLN 3.72 2.96 1 52 GLU 1.11 1.69 1 53 HIS 0.72 -0.21 1 54 GLN 5.01 4.52 1 55 GLU 4.72 3.39 1 56 PHE 2.55 2.33 1 57 PHE 3.32 1.36 1 58 SER 4.02 3.55 1 59 SER 3.58 3.03 1 60 PHE 2.37 2.47 1 62 GLU 1.34 0.85 1 63 SER 0.77 0.83 1 64 ARG 1.07 0.45 1 66 ASN 0.00 -0.21 1 67 ARG 5.42 5.25 1 68 LEU 4.50 3.04 1 69 GLU 3.47 2.60 1 70 LEU 3.08 3.21 1 71 VAL 7.25 5.87 1 72 LYS 5.25 4.14 1 73 GLN 4.08 3.28 1 74 MET 3.09 1.25 1 75 ALA 4.27 3.52 1 76 ASP 2.98 2.69 1 77 LYS 2.03 2.01 1 78 LEU -0.26 1.48 1 79 LEU -0.87 -0.82 1 80 SER 0.66 0.82 1 81 LYS 2.68 2.00 1 82 ASP -0.31 0.21 1 83 GLN -2.38 -0.64 1 84 ASP -0.16 -0.60 1 85 PHE -0.63 -0.42 1 86 SER -5.89 -3.03 1 87 TRP 1.09 2.51 1 88 SER 5.50 4.22 1 89 GLN 4.22 3.89 1 90 LEU 4.16 3.24 1 91 VAL 6.58 4.91 1 92 MET 5.39 4.58 1 93 LEU 4.44 3.24 1 94 LEU 5.53 3.46 1 95 ALA 2.31 2.17 1 96 PHE 4.37 3.58 1 97 ALA 3.72 2.64 1 99 THR 5.35 4.33 1 100 LEU 2.11 1.48 1 101 MET -2.86 -1.59 1 102 ASN 0.16 1.16 1 103 GLN -0.38 0.01 1 106 TYR 0.96 0.35 1 107 MET 0.36 0.36 1 108 ALA 0.61 0.49 1 109 VAL 1.03 0.69 1 110 LYS 1.12 0.95 1 111 GLN 0.28 0.36 1 112 LYS 1.05 0.77 1 113 ARG 0.73 0.60 1 114 ASP 0.06 0.15 1 115 LEU 1.87 1.48 1 117 ASN 1.12 1.26 1 118 ARG 3.83 2.26 1 119 VAL 5.31 3.93 1 120 ILE 4.10 2.63 1 121 VAL 5.67 4.77 1 122 THR 7.06 6.02 1 123 ARG 5.05 3.91 1 124 ASP 4.97 3.71 1 127 LEU 2.93 3.27 1 128 ILE 6.19 5.08 1 129 VAL 7.49 6.18 1 130 ASN 4.28 3.81 1 131 PHE 3.82 4.10 1 132 LEU 2.01 2.65 1 133 TYR 4.16 4.33 1 134 ASN 3.67 3.01 1 135 LEU 2.68 2.77 1 136 LEU 2.51 2.31 1 137 MET -2.78 -1.90 1 139 ARG 5.35 4.76 1 140 ARG 4.19 3.14 1 141 HIS 1.80 3.32 1 142 ARG 5.93 4.49 1 143 ALA 3.41 2.14 1 144 ARG 2.98 1.34 1 145 LEU 3.12 3.21 1 146 GLU 4.17 3.67 1 147 ALA 3.65 2.56 1 148 LEU 0.36 0.06 1 151 TRP 1.79 0.64 1 152 ASP 5.13 4.17 1 154 PHE 4.10 3.55 1 156 ARG 2.97 2.74 1 157 PHE 3.73 3.69 1 158 PHE 1.45 1.47 1 159 LYS 1.44 1.15 1 160 ASN 0.15 1.96 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr16619_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -5.89 _LACS_plot.Line_1_terminator_val_y_1 2.97 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.78 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.69 _LACS_plot.Line_2_terminator_val_x_2 7.69 _LACS_plot.Line_2_terminator_val_y_2 -1.62 _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 20 ILE 6.12 -4.61 0 10 GLU 3.36 -0.26 1 11 ARG 3.41 0.62 1 12 THR 6.81 -0.91 1 13 ARG 6.67 -1.42 1 14 ARG 4.23 -0.64 1 15 LEU 3.47 -1.20 1 16 LEU 1.81 1.07 1 17 SER 4.90 -0.78 1 18 ASP 1.36 2.23 1 19 TYR 3.22 1.24 1 21 PHE 7.70 -2.40 1 22 PHE 5.36 -1.48 1 24 ALA -2.51 1.30 1 25 ARG 0.94 -0.99 1 26 GLU 1.33 -0.23 1 28 ASP 2.18 -1.57 1 29 THR -0.80 0.66 1 31 GLU 0.35 0.50 1 35 THR -0.12 0.94 1 36 SER -2.76 2.31 1 37 VAL 5.63 -1.31 1 38 GLU 6.58 -3.26 1 39 ALA 3.50 -0.73 1 40 ALA 3.33 -0.60 1 41 LEU 1.99 0.42 1 42 LEU 3.73 -0.83 1 43 ARG 5.95 -1.01 1 44 SER 4.04 -0.72 1 45 VAL 4.33 -0.60 1 46 THR 4.05 0.17 1 47 ARG 4.98 -1.13 1 48 GLN 4.58 -1.09 1 49 ILE 4.37 -1.16 1 50 GLN 5.56 -1.67 1 51 GLN 3.72 -0.76 1 52 GLU 1.11 0.58 1 53 HIS 0.72 -0.93 1 54 GLN 5.01 -0.49 1 55 GLU 4.72 -1.33 1 56 PHE 2.55 -0.22 1 57 PHE 3.32 -1.96 1 58 SER 4.02 -0.47 1 59 SER 3.58 -0.55 1 60 PHE 2.37 0.10 1 62 GLU 1.34 -0.49 1 63 SER 0.77 0.06 1 64 ARG 1.07 -0.62 1 66 ASN 0.00 -0.21 1 67 ARG 5.42 -0.17 1 68 LEU 4.50 -1.46 1 69 GLU 3.47 -0.87 1 70 LEU 3.08 0.13 1 71 VAL 7.25 -1.38 1 72 LYS 5.25 -1.11 1 73 GLN 4.08 -0.80 1 74 MET 3.09 -1.84 1 75 ALA 4.27 -0.75 1 76 ASP 2.98 -0.29 1 77 LYS 2.03 -0.02 1 78 LEU -0.26 1.74 1 79 LEU -0.87 0.05 1 80 SER 0.66 0.16 1 81 LYS 2.68 -0.68 1 82 ASP -0.31 0.52 1 83 GLN -2.38 1.74 1 84 ASP -0.16 -0.44 1 85 PHE -0.63 0.21 1 86 SER -5.89 2.86 1 87 TRP 1.09 1.42 1 88 SER 5.50 -1.28 1 89 GLN 4.22 -0.33 1 90 LEU 4.16 -0.92 1 91 VAL 6.58 -1.67 1 92 MET 5.39 -0.81 1 93 LEU 4.44 -1.20 1 94 LEU 5.53 -2.07 1 95 ALA 2.31 -0.14 1 96 PHE 4.37 -0.79 1 97 ALA 3.72 -1.08 1 99 THR 5.35 -1.02 1 100 LEU 2.11 -0.63 1 101 MET -2.86 1.27 1 102 ASN 0.16 1.00 1 103 GLN -0.38 0.39 1 106 TYR 0.96 -0.61 1 107 MET 0.36 0.00 1 108 ALA 0.61 -0.12 1 109 VAL 1.03 -0.34 1 110 LYS 1.12 -0.17 1 111 GLN 0.28 0.08 1 112 LYS 1.05 -0.28 1 113 ARG 0.73 -0.13 1 114 ASP 0.06 0.09 1 115 LEU 1.87 -0.39 1 117 ASN 1.12 0.14 1 118 ARG 3.83 -1.57 1 119 VAL 5.31 -1.38 1 120 ILE 4.10 -1.47 1 121 VAL 5.67 -0.90 1 122 THR 7.06 -1.04 1 123 ARG 5.05 -1.14 1 124 ASP 4.97 -1.26 1 127 LEU 2.93 0.34 1 128 ILE 6.19 -1.11 1 129 VAL 7.49 -1.31 1 130 ASN 4.28 -0.47 1 131 PHE 3.82 0.28 1 132 LEU 2.01 0.64 1 133 TYR 4.16 0.17 1 134 ASN 3.67 -0.66 1 135 LEU 2.68 0.09 1 136 LEU 2.51 -0.20 1 137 MET -2.78 0.88 1 139 ARG 5.35 -0.59 1 140 ARG 4.19 -1.05 1 141 HIS 1.80 1.52 1 142 ARG 5.93 -1.44 1 143 ALA 3.41 -1.27 1 144 ARG 2.98 -1.64 1 145 LEU 3.12 0.09 1 146 GLU 4.17 -0.50 1 147 ALA 3.65 -1.09 1 148 LEU 0.36 -0.30 1 151 TRP 1.79 -1.15 1 152 ASP 5.13 -0.96 1 154 PHE 4.10 -0.55 1 156 ARG 2.97 -0.23 1 157 PHE 3.73 -0.04 1 158 PHE 1.45 0.02 1 159 LYS 1.44 -0.29 1 160 ASN 0.15 1.81 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr16619_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -5.89 _LACS_plot.Line_1_terminator_val_y_1 0.26 _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 0.05 _LACS_plot.Line_2_terminator_val_x_2 7.69 _LACS_plot.Line_2_terminator_val_y_2 -0.49 _LACS_plot.Y_axis_chem_shift_offset 0.06 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 86 SER -5.89 0.18 0 96 PHE 4.37 -1.05 0 10 GLU 3.36 -0.16 1 11 ARG 3.41 -0.34 1 12 THR 6.81 -0.60 1 13 ARG 6.67 -0.71 1 14 ARG 4.23 -0.44 1 15 LEU 3.47 -0.29 1 16 LEU 1.81 -0.49 1 17 SER 4.90 -0.30 1 18 ASP 1.36 -0.45 1 19 TYR 3.22 -0.02 1 20 ILE 6.12 -0.71 1 21 PHE 7.70 -0.45 1 22 PHE 5.36 -0.43 1 24 ALA -2.51 0.03 1 25 ARG 0.94 -0.15 1 26 GLU 1.33 -0.27 1 28 ASP 2.18 -0.18 1 29 THR -0.80 0.13 1 31 GLU 0.35 -0.23 1 35 THR -0.12 -0.15 1 36 SER -2.76 0.13 1 37 VAL 5.63 -0.25 1 38 GLU 6.58 0.02 1 39 ALA 3.50 -0.59 1 40 ALA 3.33 -0.51 1 41 LEU 1.99 -0.16 1 42 LEU 3.73 -0.31 1 43 ARG 5.95 -0.41 1 44 SER 4.04 -0.16 1 45 VAL 4.33 -0.20 1 46 THR 4.05 -0.43 1 47 ARG 4.98 -0.02 1 48 GLN 4.58 -0.16 1 49 ILE 4.37 -0.11 1 50 GLN 5.56 -0.37 1 51 GLN 3.72 -0.16 1 52 GLU 1.11 -0.22 1 53 HIS 0.72 0.33 1 54 GLN 5.01 -0.16 1 55 GLU 4.72 -0.15 1 56 PHE 2.55 -0.01 1 57 PHE 3.32 -0.23 1 58 SER 4.02 -0.09 1 59 SER 3.58 -0.15 1 60 PHE 2.37 -0.30 1 62 GLU 1.34 -0.11 1 63 SER 0.77 -0.15 1 64 ARG 1.07 -0.02 1 66 ASN 0.00 -0.04 1 67 ARG 5.42 -0.47 1 68 LEU 4.50 -0.54 1 69 GLU 3.47 -0.56 1 70 LEU 3.08 -0.15 1 71 VAL 7.25 -0.50 1 72 LYS 5.25 -0.60 1 73 GLN 4.08 -0.17 1 74 MET 3.09 -0.24 1 75 ALA 4.27 -0.44 1 76 ASP 2.98 -0.17 1 77 LYS 2.03 -0.11 1 78 LEU -0.26 0.01 1 79 LEU -0.87 0.27 1 80 SER 0.66 -0.02 1 81 LYS 2.68 -0.14 1 82 ASP -0.31 -0.01 1 83 GLN -2.38 0.09 1 84 ASP -0.16 0.05 1 85 PHE -0.63 0.29 1 87 TRP 1.09 0.22 1 88 SER 5.50 -0.15 1 89 GLN 4.22 -0.27 1 90 LEU 4.16 -0.42 1 91 VAL 6.58 -0.39 1 92 MET 5.39 -0.22 1 93 LEU 4.44 -0.35 1 94 LEU 5.53 -0.33 1 95 ALA 2.31 0.10 1 97 ALA 3.72 -0.77 1 99 THR 5.35 -0.36 1 100 LEU 2.11 -0.45 1 101 MET -2.86 -0.06 1 102 ASN 0.16 -0.18 1 103 GLN -0.38 0.04 1 106 TYR 0.96 -0.05 1 107 MET 0.36 -0.07 1 108 ALA 0.61 -0.04 1 109 VAL 1.03 -0.05 1 110 LYS 1.12 -0.09 1 111 GLN 0.28 0.00 1 112 LYS 1.05 -0.02 1 113 ARG 0.73 -0.04 1 114 ASP 0.06 0.00 1 115 LEU 1.87 -0.11 1 117 ASN 1.12 -0.07 1 118 ARG 3.83 -0.24 1 119 VAL 5.31 -0.31 1 120 ILE 4.10 -0.37 1 121 VAL 5.67 -0.51 1 122 THR 7.06 -0.50 1 123 ARG 5.05 -0.25 1 124 ASP 4.97 -0.12 1 127 LEU 2.93 -0.18 1 128 ILE 6.19 -0.42 1 129 VAL 7.49 0.02 1 130 ASN 4.28 -0.28 1 131 PHE 3.82 -0.28 1 132 LEU 2.01 -0.71 1 133 TYR 4.16 -0.78 1 134 ASN 3.67 -0.73 1 135 LEU 2.68 -0.40 1 136 LEU 2.51 -0.46 1 137 MET -2.78 0.05 1 139 ARG 5.35 -0.46 1 140 ARG 4.19 -0.29 1 141 HIS 1.80 0.16 1 142 ARG 5.93 -0.29 1 143 ALA 3.41 -0.15 1 144 ARG 2.98 -0.43 1 145 LEU 3.12 -0.77 1 146 GLU 4.17 -0.49 1 147 ALA 3.65 -0.20 1 148 LEU 0.36 -0.22 1 151 TRP 1.79 0.04 1 152 ASP 5.13 0.12 1 154 PHE 4.10 -0.28 1 156 ARG 2.97 -0.24 1 157 PHE 3.73 -0.69 1 158 PHE 1.45 -0.26 1 159 LYS 1.44 -0.16 1 160 ASN 0.15 -0.32 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr16619_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -5.89 _LACS_plot.Line_1_terminator_val_y_1 -2.24 _LACS_plot.Line_1_terminator_val_x_2 2.00 _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 -0.21 _LACS_plot.Line_2_terminator_val_x_2 7.69 _LACS_plot.Line_2_terminator_val_y_2 2.67 _LACS_plot.Y_axis_chem_shift_offset -0.26 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 86 SER -5.89 1.46 0 10 GLU 3.36 2.30 1 11 ARG 3.41 3.68 1 12 THR 6.81 0.43 1 13 ARG 6.67 2.18 1 14 ARG 4.23 1.93 1 15 LEU 3.47 0.20 1 16 LEU 1.81 0.69 1 17 SER 4.90 0.91 1 18 ASP 1.36 2.32 1 19 TYR 3.22 2.19 1 20 ILE 6.12 1.50 1 21 PHE 7.70 3.78 1 22 PHE 5.36 2.55 1 24 ALA -2.51 -1.65 1 25 ARG 0.94 -1.08 1 28 ASP 2.18 -0.69 1 35 THR -0.12 -1.01 1 36 SER -2.76 0.27 1 37 VAL 5.63 2.68 1 38 GLU 6.58 0.61 1 39 ALA 3.50 2.30 1 40 ALA 3.33 2.83 1 41 LEU 1.99 1.55 1 42 LEU 3.73 2.34 1 43 ARG 5.95 1.09 1 44 SER 4.04 2.97 1 45 VAL 4.33 2.81 1 46 THR 4.05 2.29 1 47 ARG 4.98 2.39 1 48 GLN 4.58 2.50 1 49 ILE 4.37 2.32 1 50 GLN 5.56 1.92 1 51 GLN 3.72 1.63 1 52 GLU 1.11 0.89 1 53 HIS 0.72 0.55 1 54 GLN 5.01 2.23 1 55 GLU 4.72 2.16 1 56 PHE 2.55 1.97 1 57 PHE 3.32 2.34 1 58 SER 4.02 2.34 1 59 SER 3.58 1.56 1 60 PHE 2.37 1.01 1 62 GLU 1.34 0.05 1 63 SER 0.77 -0.18 1 64 ARG 1.07 -0.03 1 66 ASN 0.00 0.26 1 67 ARG 5.42 1.21 1 68 LEU 4.50 0.58 1 69 GLU 3.47 2.73 1 70 LEU 3.08 2.20 1 71 VAL 7.25 0.88 1 72 LYS 5.25 2.65 1 73 GLN 4.08 3.68 1 74 MET 3.09 2.00 1 75 ALA 4.27 1.39 1 76 ASP 2.98 1.28 1 77 LYS 2.03 1.84 1 78 LEU -0.26 -1.01 1 79 LEU -0.87 -0.75 1 80 SER 0.66 1.73 1 81 LYS 2.68 -0.33 1 82 ASP -0.31 -1.12 1 83 GLN -2.38 -0.56 1 84 ASP -0.16 -0.37 1 85 PHE -0.63 -1.51 1 87 TRP 1.09 3.35 1 88 SER 5.50 2.16 1 89 GLN 4.22 1.70 1 90 LEU 4.16 1.42 1 91 VAL 6.58 1.46 1 92 MET 5.39 1.03 1 93 LEU 4.44 0.72 1 94 LEU 5.53 1.10 1 95 ALA 2.31 2.37 1 96 PHE 4.37 0.46 1 99 THR 5.35 1.99 1 100 LEU 2.11 0.97 1 101 MET -2.86 -0.54 1 102 ASN 0.16 0.42 1 103 GLN -0.38 0.13 1 106 TYR 0.96 0.09 1 107 MET 0.36 -0.80 1 108 ALA 0.61 0.12 1 109 VAL 1.03 0.15 1 110 LYS 1.12 0.09 1 111 GLN 0.28 -0.14 1 112 LYS 1.05 0.15 1 113 ARG 0.73 -0.29 1 114 ASP 0.06 0.36 1 115 LEU 1.87 0.75 1 117 ASN 1.12 1.32 1 118 ARG 3.83 1.99 1 119 VAL 5.31 1.83 1 120 ILE 4.10 1.28 1 121 VAL 5.67 2.03 1 122 THR 7.06 1.50 1 123 ARG 5.05 2.41 1 124 ASP 4.97 2.47 1 127 LEU 2.93 2.96 1 128 ILE 6.19 1.41 1 129 VAL 7.49 1.07 1 130 ASN 4.28 2.23 1 131 PHE 3.82 1.52 1 132 LEU 2.01 -0.04 1 133 TYR 4.16 -0.19 1 134 ASN 3.67 2.72 1 135 LEU 2.68 1.77 1 136 LEU 2.51 -2.44 1 137 MET -2.78 1.78 1 139 ARG 5.35 2.28 1 140 ARG 4.19 2.65 1 141 HIS 1.80 3.22 1 142 ARG 5.93 2.38 1 143 ALA 3.41 3.07 1 144 ARG 2.98 0.63 1 145 LEU 3.12 2.22 1 146 GLU 4.17 4.20 1 147 ALA 3.65 2.32 1 148 LEU 0.36 -0.56 1 151 TRP 1.79 3.03 1 152 ASP 5.13 2.70 1 154 PHE 4.10 0.12 1 156 ARG 2.97 1.69 1 157 PHE 3.73 1.15 1 158 PHE 1.45 -0.95 1 159 LYS 1.44 -1.42 1 stop_ save_