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 bmr25770_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.72 _LACS_plot.Line_1_terminator_val_y_1 -3.37 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.25 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.38 _LACS_plot.Line_2_terminator_val_x_2 9.95 _LACS_plot.Line_2_terminator_val_y_2 7.92 _LACS_plot.Y_axis_chem_shift_offset -0.18 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 56 HIS 4.37 7.16 0 10 ASN -0.14 0.45 1 11 LYS 0.22 0.54 1 12 SER 1.78 2.03 1 13 SER -1.86 -1.35 1 14 ASP 3.86 2.72 1 15 ASP 2.95 1.73 1 16 PHE -0.16 -0.35 1 17 GLU 9.95 8.16 1 19 LEU 2.54 2.39 1 20 ILE 5.33 4.75 1 21 HIS 4.44 4.73 1 22 ASP 2.46 3.41 1 23 LEU 3.63 3.09 1 24 PHE 5.27 4.64 1 25 GLU 1.24 1.04 1 26 THR 3.40 2.62 1 28 TRP -2.99 -3.00 1 29 HIS 2.86 2.59 1 31 THR 2.38 2.24 1 33 ARG 1.97 1.63 1 34 GLU -0.65 -0.78 1 35 ILE 1.45 0.91 1 36 TRP -3.05 -1.47 1 37 ILE -4.93 -3.26 1 38 GLU -5.51 -1.66 1 39 ARG 3.47 2.04 1 40 VAL -1.58 -0.09 1 41 LYS -6.72 -2.58 1 42 ASP -2.01 -1.51 1 44 LYS 0.24 -0.40 1 45 ILE 0.71 -1.18 1 48 THR 3.10 1.77 1 49 LEU -0.43 0.20 1 50 VAL 3.04 3.92 1 53 ASN 2.01 0.13 1 54 TYR -0.78 -0.33 1 55 SER -1.01 -0.24 1 57 GLU 6.21 4.99 1 58 GLU 1.91 2.02 1 59 LEU 4.29 2.96 1 60 ILE 5.61 1.35 1 61 ASP 5.30 3.87 1 62 MET 2.89 1.48 1 63 LEU 3.95 2.74 1 64 ILE 6.27 4.73 1 66 TYR 3.51 3.62 1 77 ILE 0.57 0.12 1 78 ASN 4.52 5.16 1 80 LEU -0.39 -0.14 1 81 VAL -0.09 -0.06 1 82 THR 0.46 0.73 1 84 ASP 0.88 0.96 1 85 ASP 0.59 0.51 1 86 LEU 1.34 1.35 1 87 GLU 1.90 1.61 1 88 ILE 2.27 1.59 1 89 ALA 1.88 1.68 1 90 ASN 1.71 1.53 1 91 SER 2.14 1.89 1 92 TYR 0.28 0.39 1 94 PHE -1.13 -0.34 1 100 VAL 5.51 4.12 1 101 THR 7.75 5.70 1 102 ASN 4.41 2.98 1 103 LEU 3.99 3.35 1 104 LEU 2.63 2.18 1 105 LYS 0.91 1.77 1 106 SER 1.96 2.07 1 108 GLU 6.46 5.38 1 109 PHE 3.99 4.98 1 110 ARG 4.58 3.55 1 111 LEU 4.26 2.76 1 112 VAL 7.66 6.00 1 113 HIS 2.97 2.46 1 114 THR 5.75 4.96 1 115 ILE 3.96 3.58 1 116 ILE 1.34 0.74 1 118 THR 6.55 6.01 1 119 GLU 6.13 5.44 1 120 THR 6.46 4.43 1 121 PHE 3.25 3.86 1 122 LEU 2.70 2.62 1 123 ASP 3.54 4.23 1 124 LEU 5.10 3.00 1 125 LEU 0.88 0.98 1 126 ILE 2.53 3.15 1 127 ASN 0.68 1.83 1 128 TYR -1.49 -1.17 1 129 SER -5.08 -2.52 1 130 ALA -4.49 -2.78 1 131 ARG -4.92 -2.17 1 132 MET -3.49 -0.98 1 134 ASN -0.35 -0.33 1 135 VAL -1.42 -0.48 1 136 TYR 1.23 1.17 1 137 LEU -0.36 1.07 1 141 LEU -0.62 -0.44 1 142 ASN -0.21 0.06 1 143 GLU 0.46 0.69 1 144 SER 1.06 0.86 1 145 ASN 0.66 0.60 1 146 TYR 1.00 0.71 1 147 LYS 0.70 0.56 1 148 THR 0.65 0.49 1 149 GLN 0.24 0.32 1 151 LYS 0.32 0.26 1 152 SER 0.21 0.24 1 153 SER 0.43 0.40 1 154 GLU 0.01 0.32 1 155 ASN 0.28 0.20 1 156 LEU 0.12 0.18 1 157 TYR -0.27 -0.27 1 158 PHE -0.07 -0.15 1 159 GLN 0.54 1.73 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25770_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.72 _LACS_plot.Line_1_terminator_val_y_1 3.35 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.75 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.62 _LACS_plot.Line_2_terminator_val_x_2 9.95 _LACS_plot.Line_2_terminator_val_y_2 -2.03 _LACS_plot.Y_axis_chem_shift_offset -0.18 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 56 HIS 4.37 2.79 0 10 ASN -0.14 0.59 1 11 LYS 0.22 0.32 1 12 SER 1.78 0.25 1 13 SER -1.86 0.51 1 14 ASP 3.86 -1.14 1 15 ASP 2.95 -1.22 1 16 PHE -0.16 -0.19 1 17 GLU 9.95 -1.79 1 19 LEU 2.54 -0.15 1 20 ILE 5.33 -0.58 1 21 HIS 4.44 0.29 1 22 ASP 2.46 0.95 1 23 LEU 3.63 -0.54 1 24 PHE 5.27 -0.63 1 25 GLU 1.24 -0.20 1 26 THR 3.40 -0.78 1 28 TRP -2.99 -0.01 1 29 HIS 2.86 -0.27 1 31 THR 2.38 -0.14 1 33 ARG 1.97 -0.34 1 34 GLU -0.65 -0.13 1 35 ILE 1.45 -0.54 1 36 TRP -3.05 1.58 1 37 ILE -4.93 1.67 1 38 GLU -5.51 3.85 1 39 ARG 3.47 -1.43 1 40 VAL -1.58 1.49 1 41 LYS -6.72 4.14 1 42 ASP -2.01 0.50 1 44 LYS 0.24 -0.64 1 45 ILE 0.71 -1.89 1 48 THR 3.10 -1.33 1 49 LEU -0.43 0.63 1 50 VAL 3.04 0.88 1 53 ASN 2.01 -1.88 1 54 TYR -0.78 0.45 1 55 SER -1.01 0.77 1 57 GLU 6.21 -1.22 1 58 GLU 1.91 0.11 1 59 LEU 4.29 -1.33 1 60 ILE 5.61 -4.26 1 61 ASP 5.30 -1.43 1 62 MET 2.89 -1.41 1 63 LEU 3.95 -1.21 1 64 ILE 6.27 -1.54 1 66 TYR 3.51 0.11 1 77 ILE 0.57 -0.45 1 78 ASN 4.52 0.64 1 80 LEU -0.39 0.25 1 81 VAL -0.09 0.03 1 82 THR 0.46 0.27 1 84 ASP 0.88 0.08 1 85 ASP 0.59 -0.08 1 86 LEU 1.34 0.01 1 87 GLU 1.90 -0.29 1 88 ILE 2.27 -0.68 1 89 ALA 1.88 -0.20 1 90 ASN 1.71 -0.18 1 91 SER 2.14 -0.25 1 92 TYR 0.28 0.11 1 94 PHE -1.13 0.79 1 100 VAL 5.51 -1.39 1 101 THR 7.75 -2.05 1 102 ASN 4.41 -1.43 1 103 LEU 3.99 -0.64 1 104 LEU 2.63 -0.45 1 105 LYS 0.91 0.86 1 106 SER 1.96 0.11 1 108 GLU 6.46 -1.08 1 109 PHE 3.99 0.99 1 110 ARG 4.58 -1.03 1 111 LEU 4.26 -1.50 1 112 VAL 7.66 -1.66 1 113 HIS 2.97 -0.51 1 114 THR 5.75 -0.79 1 115 ILE 3.96 -0.38 1 116 ILE 1.34 -0.60 1 118 THR 6.55 -0.54 1 119 GLU 6.13 -0.69 1 120 THR 6.46 -2.03 1 121 PHE 3.25 0.61 1 122 LEU 2.70 -0.08 1 123 ASP 3.54 0.69 1 124 LEU 5.10 -2.10 1 125 LEU 0.88 0.10 1 126 ILE 2.53 0.62 1 127 ASN 0.68 1.15 1 128 TYR -1.49 0.32 1 129 SER -5.08 2.56 1 130 ALA -4.49 1.71 1 131 ARG -4.92 2.75 1 132 MET -3.49 2.51 1 134 ASN -0.35 0.02 1 135 VAL -1.42 0.94 1 136 TYR 1.23 -0.06 1 137 LEU -0.36 1.43 1 141 LEU -0.62 0.18 1 142 ASN -0.21 0.27 1 143 GLU 0.46 0.23 1 144 SER 1.06 -0.20 1 145 ASN 0.66 -0.06 1 146 TYR 1.00 -0.29 1 147 LYS 0.70 -0.14 1 148 THR 0.65 -0.16 1 149 GLN 0.24 0.08 1 151 LYS 0.32 -0.06 1 152 SER 0.21 0.03 1 153 SER 0.43 -0.03 1 154 GLU 0.01 0.31 1 155 ASN 0.28 -0.08 1 156 LEU 0.12 0.06 1 157 TYR -0.27 0.00 1 158 PHE -0.07 -0.08 1 159 GLN 0.54 1.19 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25770_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.72 _LACS_plot.Line_1_terminator_val_y_1 0.59 _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 0.18 _LACS_plot.Line_2_terminator_val_x_2 9.95 _LACS_plot.Line_2_terminator_val_y_2 -1.00 _LACS_plot.Y_axis_chem_shift_offset 0.02 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 110 ARG 4.58 -1.69 0 10 ASN -0.14 -0.03 1 11 LYS 0.22 -0.12 1 12 SER 1.78 -0.12 1 13 SER -1.86 0.12 1 14 ASP 3.86 -0.26 1 15 ASP 2.95 -0.25 1 16 PHE -0.16 0.20 1 17 GLU 9.95 -0.48 1 19 LEU 2.54 -0.14 1 20 ILE 5.33 -0.76 1 21 HIS 4.44 -0.33 1 22 ASP 2.46 -0.31 1 23 LEU 3.63 -0.77 1 24 PHE 5.27 -0.21 1 25 GLU 1.24 0.15 1 26 THR 3.40 -0.02 1 28 TRP -2.99 0.45 1 29 HIS 2.86 -0.21 1 31 THR 2.38 -0.17 1 33 ARG 1.97 -0.09 1 34 GLU -0.65 -0.04 1 35 ILE 1.45 0.17 1 36 TRP -3.05 0.31 1 37 ILE -4.93 1.33 1 38 GLU -5.51 0.29 1 39 ARG 3.47 -0.97 1 40 VAL -1.58 0.30 1 41 LYS -6.72 0.28 1 42 ASP -2.01 0.03 1 45 ILE 0.71 -0.32 1 48 THR 3.10 -0.29 1 49 LEU -0.43 0.20 1 50 VAL 3.04 -0.60 1 53 ASN 2.01 -0.23 1 54 TYR -0.78 0.11 1 55 SER -1.01 0.02 1 56 HIS 4.37 -0.62 1 57 GLU 6.21 -0.79 1 58 GLU 1.91 -0.41 1 59 LEU 4.29 -0.68 1 60 ILE 5.61 -0.81 1 61 ASP 5.30 -0.34 1 62 MET 2.89 -0.24 1 63 LEU 3.95 -0.31 1 64 ILE 6.27 -0.73 1 66 TYR 3.51 -0.33 1 77 ILE 0.57 0.01 1 78 ASN 4.52 -0.14 1 80 LEU -0.39 0.19 1 81 VAL -0.09 0.10 1 82 THR 0.46 -0.04 1 84 ASP 0.88 -0.02 1 85 ASP 0.59 -0.15 1 86 LEU 1.34 -0.14 1 87 GLU 1.90 -0.15 1 88 ILE 2.27 -0.15 1 89 ALA 1.88 -0.16 1 90 ASN 1.71 -0.21 1 91 SER 2.14 -0.19 1 92 TYR 0.28 0.06 1 94 PHE -1.13 0.15 1 100 VAL 5.51 -0.50 1 101 THR 7.75 -0.83 1 102 ASN 4.41 -0.44 1 103 LEU 3.99 -0.32 1 104 LEU 2.63 -0.71 1 105 LYS 0.91 -0.24 1 106 SER 1.96 -0.11 1 108 GLU 6.46 -0.92 1 109 PHE 3.99 -0.46 1 111 LEU 4.26 -0.46 1 112 VAL 7.66 -1.04 1 113 HIS 2.97 -0.98 1 114 THR 5.75 -0.81 1 115 ILE 3.96 -1.37 1 116 ILE 1.34 0.69 1 118 THR 6.55 -0.18 1 119 GLU 6.13 -0.62 1 120 THR 6.46 -0.32 1 121 PHE 3.25 -0.34 1 122 LEU 2.70 -0.62 1 123 ASP 3.54 -0.27 1 124 LEU 5.10 -0.42 1 125 LEU 0.88 -0.80 1 126 ILE 2.53 -0.42 1 127 ASN 0.68 0.34 1 128 TYR -1.49 0.96 1 129 SER -5.08 0.48 1 130 ALA -4.49 0.59 1 131 ARG -4.92 0.52 1 132 MET -3.49 0.24 1 134 ASN -0.35 -0.08 1 135 VAL -1.42 0.04 1 136 TYR 1.23 0.00 1 137 LEU -0.36 -0.08 1 141 LEU -0.62 -0.16 1 142 ASN -0.21 -0.15 1 143 GLU 0.46 -0.16 1 144 SER 1.06 -0.14 1 145 ASN 0.66 -0.10 1 146 TYR 1.00 -0.09 1 147 LYS 0.70 -0.08 1 148 THR 0.65 -0.11 1 149 GLN 0.24 -0.01 1 151 LYS 0.32 0.03 1 152 SER 0.21 -0.03 1 153 SER 0.43 -0.05 1 154 GLU 0.01 -0.12 1 155 ASN 0.28 -0.15 1 156 LEU 0.12 -0.16 1 157 TYR -0.27 -0.06 1 158 PHE -0.07 -0.05 1 159 GLN 0.54 -0.25 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25770_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.72 _LACS_plot.Line_1_terminator_val_y_1 -2.55 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.55 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.66 _LACS_plot.Line_2_terminator_val_x_2 9.95 _LACS_plot.Line_2_terminator_val_y_2 2.54 _LACS_plot.Y_axis_chem_shift_offset 0.14 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 17 GLU 9.95 -0.15 0 159 GLN 0.54 4.12 0 10 ASN -0.14 -1.68 1 11 LYS 0.22 0.46 1 12 SER 1.78 -0.49 1 13 SER -1.86 0.56 1 14 ASP 3.86 1.82 1 15 ASP 2.95 0.73 1 16 PHE -0.16 0.61 1 19 LEU 2.54 1.22 1 20 ILE 5.33 1.02 1 21 HIS 4.44 3.06 1 22 ASP 2.46 1.63 1 23 LEU 3.63 -0.72 1 24 PHE 5.27 1.49 1 25 GLU 1.24 1.09 1 26 THR 3.40 1.07 1 29 HIS 2.86 1.59 1 31 THR 2.38 1.38 1 33 ARG 1.97 -0.48 1 34 GLU -0.65 -0.30 1 35 ILE 1.45 -2.37 1 36 TRP -3.05 -0.01 1 37 ILE -4.93 -1.46 1 38 GLU -5.51 -2.26 1 39 ARG 3.47 0.04 1 40 VAL -1.58 -0.97 1 41 LYS -6.72 -3.14 1 42 ASP -2.01 -1.00 1 44 LYS 0.24 -0.35 1 48 THR 3.10 0.80 1 49 LEU -0.43 -2.32 1 50 VAL 3.04 1.19 1 53 ASN 2.01 -0.13 1 54 TYR -0.78 1.93 1 55 SER -1.01 -0.28 1 56 HIS 4.37 1.83 1 57 GLU 6.21 1.37 1 58 GLU 1.91 1.97 1 59 LEU 4.29 0.65 1 60 ILE 5.61 0.88 1 61 ASP 5.30 3.65 1 62 MET 2.89 3.01 1 63 LEU 3.95 0.26 1 64 ILE 6.27 1.56 1 66 TYR 3.51 2.59 1 78 ASN 4.52 0.98 1 80 LEU -0.39 -0.06 1 81 VAL -0.09 -0.05 1 82 THR 0.46 1.57 1 84 ASP 0.88 -0.15 1 85 ASP 0.59 -1.19 1 86 LEU 1.34 0.16 1 87 GLU 1.90 1.54 1 88 ILE 2.27 0.52 1 89 ALA 1.88 1.13 1 90 ASN 1.71 1.28 1 91 SER 2.14 -0.08 1 92 TYR 0.28 0.29 1 100 VAL 5.51 1.30 1 101 THR 7.75 1.21 1 102 ASN 4.41 2.80 1 103 LEU 3.99 2.46 1 104 LEU 2.63 -0.09 1 105 LYS 0.91 -1.49 1 106 SER 1.96 -1.01 1 108 GLU 6.46 0.88 1 109 PHE 3.99 2.91 1 110 ARG 4.58 2.48 1 111 LEU 4.26 0.65 1 112 VAL 7.66 0.02 1 113 HIS 2.97 2.35 1 114 THR 5.75 -0.06 1 115 ILE 3.96 0.88 1 116 ILE 1.34 0.41 1 118 THR 6.55 0.67 1 119 GLU 6.13 1.76 1 120 THR 6.46 0.17 1 121 PHE 3.25 0.11 1 122 LEU 2.70 0.48 1 123 ASP 3.54 1.84 1 124 LEU 5.10 0.30 1 125 LEU 0.88 -0.40 1 126 ILE 2.53 2.75 1 127 ASN 0.68 0.23 1 128 TYR -1.49 -0.44 1 129 SER -5.08 -1.39 1 130 ALA -4.49 -2.68 1 131 ARG -4.92 -2.66 1 132 MET -3.49 -0.29 1 134 ASN -0.35 -0.88 1 135 VAL -1.42 -1.36 1 136 TYR 1.23 -0.38 1 137 LEU -0.36 0.50 1 141 LEU -0.62 -0.56 1 142 ASN -0.21 0.09 1 143 GLU 0.46 0.13 1 144 SER 1.06 0.16 1 145 ASN 0.66 0.03 1 146 TYR 1.00 0.03 1 147 LYS 0.70 0.16 1 148 THR 0.65 -0.05 1 149 GLN 0.24 -0.15 1 151 LYS 0.32 0.02 1 152 SER 0.21 0.21 1 153 SER 0.43 0.02 1 154 GLU 0.01 -0.54 1 155 ASN 0.28 -0.46 1 156 LEU 0.12 -0.98 1 157 TYR -0.27 -0.74 1 158 PHE -0.07 -1.40 1 stop_ save_