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 bmr17125_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -9.23 _LACS_plot.Line_1_terminator_val_y_1 -4.42 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.58 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.99 _LACS_plot.Line_2_terminator_val_x_2 8.00 _LACS_plot.Line_2_terminator_val_y_2 5.86 _LACS_plot.Y_axis_chem_shift_offset 0.37 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 48 SER 7.98 0.82 0 10 ASP -1.44 -0.31 1 15 LYS 0.88 -0.56 1 29 TYR 1.89 2.26 1 32 ALA 4.32 2.54 1 34 THR -1.14 0.53 1 35 VAL 4.44 2.58 1 37 LYS -1.78 -1.10 1 40 VAL -1.41 -1.69 1 41 VAL -9.23 -4.65 1 43 ARG 4.78 4.63 1 44 ARG 5.07 3.22 1 45 THR 6.33 5.00 1 46 TYR 3.43 3.15 1 47 GLU 3.17 1.73 1 49 PHE -0.20 -2.21 1 51 LYS -2.19 -1.14 1 52 ARG -1.92 -1.30 1 54 LEU 1.37 0.00 1 56 GLU -0.66 1.01 1 57 ARG -3.91 -0.98 1 58 THR 2.42 1.18 1 59 ASN -0.92 -0.29 1 60 VAL -1.53 -1.99 1 61 VAL -2.75 -2.70 1 62 LEU -2.47 -2.35 1 63 THR -2.45 -3.25 1 65 GLN 2.79 1.06 1 66 GLU 2.89 2.24 1 67 ASP -0.38 -1.71 1 68 TYR 2.26 2.71 1 69 GLN -2.59 -1.27 1 70 ALA -2.09 -1.49 1 71 GLN 3.92 2.28 1 73 ALA -4.13 -2.77 1 74 VAL 0.16 -0.26 1 75 VAL 0.15 -0.71 1 76 VAL -6.39 -4.10 1 77 HIS -2.08 -1.21 1 78 ASP -2.88 -1.33 1 79 VAL 5.20 3.86 1 80 ALA 4.97 2.87 1 81 ALA 2.71 2.44 1 82 VAL 7.11 4.74 1 83 PHE 5.77 4.05 1 84 ALA 4.28 2.84 1 85 TYR 5.14 4.38 1 86 ALA 4.38 3.01 1 87 LYS 3.42 2.57 1 88 GLN 0.93 0.23 1 89 HIS 0.28 0.23 1 91 ASP 1.48 0.04 1 92 GLN -4.58 -0.70 1 94 LEU -2.88 -0.64 1 95 VAL -2.82 -1.40 1 96 ILE 0.30 -2.30 1 97 ALA -1.79 -1.94 1 100 ALA 5.34 4.27 1 101 GLN 4.91 3.14 1 102 ILE 4.54 0.11 1 103 PHE 4.57 2.06 1 104 THR 8.01 5.86 1 105 ALA 4.24 2.45 1 106 PHE -1.09 1.50 1 107 LYS 6.01 4.53 1 108 ASP 1.76 1.36 1 109 ASP -2.35 1.10 1 110 VAL -0.19 -0.66 1 111 ASP -1.98 0.42 1 112 THR -3.25 -0.09 1 113 LEU -0.54 -1.81 1 114 LEU -0.71 -1.66 1 115 VAL -5.17 -3.69 1 116 THR -0.54 -1.85 1 117 ARG -2.34 -1.88 1 121 SER -2.72 -2.19 1 123 GLU -0.96 -0.40 1 125 ASP -2.69 -0.79 1 126 THR -1.22 0.43 1 129 ILE 3.78 1.24 1 131 LEU -4.60 -2.22 1 132 ASN 1.12 -2.01 1 133 TRP 5.22 3.76 1 134 ASP 3.52 2.66 1 135 ASP 1.25 0.78 1 136 PHE -5.42 -0.67 1 137 THR -0.72 -1.44 1 138 LYS 4.32 0.51 1 139 VAL 0.47 0.09 1 140 SER -1.46 -0.34 1 141 SER -1.45 -1.10 1 142 ARG -3.06 -0.63 1 143 THR 0.58 1.00 1 144 VAL -0.29 -0.64 1 145 GLU -0.79 -0.29 1 146 ASP -6.76 -1.31 1 147 THR 4.90 3.70 1 148 ASN -1.53 -2.17 1 150 ALA 1.40 1.13 1 152 THR 3.33 2.66 1 153 HIS -7.01 -5.50 1 154 THR -2.69 -1.22 1 155 TYR -1.12 -1.00 1 156 GLU -6.63 -2.75 1 157 VAL -1.21 -0.50 1 158 TRP -7.03 -5.64 1 159 GLN -7.10 -4.06 1 160 LYS 1.53 1.16 1 161 LYS 1.61 1.51 1 162 ALA -0.04 0.93 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17125_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -9.23 _LACS_plot.Line_1_terminator_val_y_1 4.81 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.42 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.01 _LACS_plot.Line_2_terminator_val_x_2 8.00 _LACS_plot.Line_2_terminator_val_y_2 -2.14 _LACS_plot.Y_axis_chem_shift_offset 0.37 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 48 SER 7.98 -7.16 0 10 ASP -1.44 1.13 1 15 LYS 0.88 -1.44 1 29 TYR 1.89 0.37 1 32 ALA 4.32 -1.78 1 34 THR -1.14 1.67 1 35 VAL 4.44 -1.86 1 37 LYS -1.78 0.68 1 40 VAL -1.41 -0.28 1 41 VAL -9.23 4.58 1 43 ARG 4.78 -0.15 1 44 ARG 5.07 -1.85 1 45 THR 6.33 -1.33 1 46 TYR 3.43 -0.28 1 47 GLU 3.17 -1.44 1 49 PHE -0.20 -2.01 1 51 LYS -2.19 1.05 1 52 ARG -1.92 0.62 1 54 LEU 1.37 -1.37 1 56 GLU -0.66 1.67 1 57 ARG -3.91 2.93 1 58 THR 2.42 -1.24 1 59 ASN -0.92 0.63 1 60 VAL -1.53 -0.46 1 61 VAL -2.75 0.05 1 62 LEU -2.47 0.12 1 63 THR -2.45 -0.80 1 65 GLN 2.79 -1.73 1 66 GLU 2.89 -0.65 1 67 ASP -0.38 -1.33 1 68 TYR 2.26 0.45 1 69 GLN -2.59 1.32 1 70 ALA -2.09 0.60 1 71 GLN 3.92 -1.64 1 73 ALA -4.13 1.36 1 74 VAL 0.16 -0.42 1 75 VAL 0.15 -0.86 1 76 VAL -6.39 2.29 1 77 HIS -2.08 0.87 1 78 ASP -2.88 1.55 1 79 VAL 5.20 -1.34 1 80 ALA 4.97 -2.10 1 81 ALA 2.71 -0.27 1 82 VAL 7.11 -2.37 1 83 PHE 5.77 -1.72 1 84 ALA 4.28 -1.44 1 85 TYR 5.14 -0.76 1 86 ALA 4.38 -1.37 1 87 LYS 3.42 -0.85 1 88 GLN 0.93 -0.70 1 89 HIS 0.28 -0.05 1 91 ASP 1.48 -1.44 1 92 GLN -4.58 3.88 1 94 LEU -2.88 2.24 1 95 VAL -2.82 1.42 1 96 ILE 0.30 -2.60 1 97 ALA -1.79 -0.15 1 100 ALA 5.34 -1.07 1 101 GLN 4.91 -1.77 1 102 ILE 4.54 -4.43 1 103 PHE 4.57 -2.51 1 104 THR 8.01 -2.15 1 105 ALA 4.24 -1.79 1 106 PHE -1.09 2.59 1 107 LYS 6.01 -1.48 1 108 ASP 1.76 -0.40 1 109 ASP -2.35 3.45 1 110 VAL -0.19 -0.47 1 111 ASP -1.98 2.40 1 112 THR -3.25 3.16 1 113 LEU -0.54 -1.27 1 114 LEU -0.71 -0.95 1 115 VAL -5.17 1.48 1 116 THR -0.54 -1.31 1 117 ARG -2.34 0.46 1 121 SER -2.72 0.53 1 123 GLU -0.96 0.56 1 125 ASP -2.69 1.90 1 126 THR -1.22 1.65 1 129 ILE 3.78 -2.54 1 131 LEU -4.60 2.38 1 132 ASN 1.12 -3.13 1 133 TRP 5.22 -1.46 1 134 ASP 3.52 -0.86 1 135 ASP 1.25 -0.47 1 136 PHE -5.42 4.75 1 137 THR -0.72 -0.72 1 138 LYS 4.32 -3.81 1 139 VAL 0.47 -0.38 1 140 SER -1.46 1.12 1 141 SER -1.45 0.35 1 142 ARG -3.06 2.43 1 143 THR 0.58 0.42 1 144 VAL -0.29 -0.35 1 145 GLU -0.79 0.50 1 146 ASP -6.76 5.45 1 147 THR 4.90 -1.20 1 148 ASN -1.53 -0.64 1 150 ALA 1.40 -0.27 1 152 THR 3.33 -0.67 1 153 HIS -7.01 1.51 1 154 THR -2.69 1.47 1 155 TYR -1.12 0.12 1 156 GLU -6.63 3.88 1 157 VAL -1.21 0.71 1 158 TRP -7.03 1.39 1 159 GLN -7.10 3.04 1 160 LYS 1.53 -0.37 1 161 LYS 1.61 -0.10 1 162 ALA -0.04 0.97 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17125_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -9.23 _LACS_plot.Line_1_terminator_val_y_1 1.24 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.02 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.41 _LACS_plot.Line_2_terminator_val_x_2 8.00 _LACS_plot.Line_2_terminator_val_y_2 -0.58 _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 97 ALA -1.79 1.53 0 10 ASP -1.44 0.46 1 15 LYS 0.88 0.14 1 29 TYR 1.89 -0.31 1 32 ALA 4.32 -0.28 1 34 THR -1.14 -0.02 1 35 VAL 4.44 -0.32 1 37 LYS -1.78 0.52 1 40 VAL -1.41 1.03 1 41 VAL -9.23 1.43 1 43 ARG 4.78 -0.66 1 44 ARG 5.07 -0.37 1 45 THR 6.33 -0.60 1 46 TYR 3.43 -0.85 1 47 GLU 3.17 -0.68 1 48 SER 7.98 -0.10 1 49 PHE -0.20 0.17 1 51 LYS -2.19 0.16 1 52 ARG -1.92 -0.16 1 54 LEU 1.37 -0.13 1 56 GLU -0.66 -0.36 1 57 ARG -3.91 0.38 1 58 THR 2.42 0.15 1 59 ASN -0.92 0.37 1 60 VAL -1.53 0.83 1 61 VAL -2.75 0.66 1 62 LEU -2.47 0.49 1 63 THR -2.45 0.51 1 65 GLN 2.79 -0.16 1 66 GLU 2.89 -0.98 1 67 ASP -0.38 0.12 1 68 TYR 2.26 -0.31 1 69 GLN -2.59 0.04 1 70 ALA -2.09 0.12 1 71 GLN 3.92 -0.16 1 73 ALA -4.13 0.61 1 74 VAL 0.16 -0.04 1 75 VAL 0.15 0.64 1 76 VAL -6.39 0.37 1 77 HIS -2.08 0.87 1 78 ASP -2.88 0.02 1 79 VAL 5.20 -0.64 1 80 ALA 4.97 0.10 1 81 ALA 2.71 0.07 1 82 VAL 7.11 -0.50 1 83 PHE 5.77 0.01 1 84 ALA 4.28 0.03 1 85 TYR 5.14 -0.30 1 86 ALA 4.38 -0.27 1 87 LYS 3.42 -0.15 1 88 GLN 0.93 -0.16 1 89 HIS 0.28 -0.14 1 91 ASP 1.48 -0.01 1 92 GLN -4.58 0.63 1 94 LEU -2.88 0.76 1 95 VAL -2.82 0.81 1 96 ILE 0.30 0.48 1 100 ALA 5.34 -0.20 1 101 GLN 4.91 -0.09 1 102 ILE 4.54 -0.26 1 103 PHE 4.57 -0.50 1 104 THR 8.01 -0.05 1 105 ALA 4.24 -0.15 1 106 PHE -1.09 0.43 1 107 LYS 6.01 -0.15 1 108 ASP 1.76 0.27 1 109 ASP -2.35 0.36 1 110 VAL -0.19 -0.16 1 111 ASP -1.98 0.44 1 112 THR -3.25 1.37 1 113 LEU -0.54 0.76 1 114 LEU -0.71 1.02 1 115 VAL -5.17 0.34 1 116 THR -0.54 0.61 1 117 ARG -2.34 0.57 1 121 SER -2.72 0.65 1 123 GLU -0.96 0.29 1 125 ASP -2.69 0.36 1 126 THR -1.22 0.35 1 129 ILE 3.78 -0.02 1 131 LEU -4.60 0.10 1 132 ASN 1.12 0.35 1 133 TRP 5.22 -0.81 1 134 ASP 3.52 0.23 1 135 ASP 1.25 0.23 1 136 PHE -5.42 0.66 1 137 THR -0.72 0.58 1 138 LYS 4.32 -0.62 1 139 VAL 0.47 0.19 1 140 SER -1.46 0.22 1 141 SER -1.45 0.90 1 142 ARG -3.06 0.50 1 143 THR 0.58 0.53 1 144 VAL -0.29 -0.03 1 145 GLU -0.79 0.22 1 146 ASP -6.76 0.30 1 147 THR 4.90 -0.37 1 148 ASN -1.53 0.16 1 150 ALA 1.40 -0.25 1 152 THR 3.33 0.07 1 153 HIS -7.01 1.05 1 154 THR -2.69 0.75 1 155 TYR -1.12 0.66 1 156 GLU -6.63 1.08 1 157 VAL -1.21 1.25 1 158 TRP -7.03 1.36 1 159 GLN -7.10 1.41 1 160 LYS 1.53 -0.50 1 161 LYS 1.61 -0.11 1 162 ALA -0.04 -0.10 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17125_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -9.23 _LACS_plot.Line_1_terminator_val_y_1 -3.61 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.01 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.70 _LACS_plot.Line_2_terminator_val_x_2 8.00 _LACS_plot.Line_2_terminator_val_y_2 2.30 _LACS_plot.Y_axis_chem_shift_offset 0.77 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 80 ALA 4.97 -106.12 0 10 ASP -1.44 -0.27 1 15 LYS 0.88 -4.48 1 32 ALA 4.32 2.68 1 35 VAL 4.44 0.75 1 40 VAL -1.41 -1.05 1 41 VAL -9.23 -1.14 1 43 ARG 4.78 1.09 1 44 ARG 5.07 3.17 1 45 THR 6.33 1.35 1 46 TYR 3.43 1.18 1 47 GLU 3.17 -0.01 1 48 SER 7.98 0.39 1 51 LYS -2.19 -3.19 1 56 GLU -0.66 -2.21 1 57 ARG -3.91 -2.33 1 58 THR 2.42 -1.18 1 59 ASN -0.92 -3.39 1 60 VAL -1.53 -2.76 1 61 VAL -2.75 -2.14 1 62 LEU -2.47 -2.78 1 65 GLN 2.79 0.54 1 66 GLU 2.89 -0.15 1 67 ASP -0.38 -62.17 1 68 TYR 2.26 -1.24 1 69 GLN -2.59 -2.50 1 70 ALA -2.09 -3.03 1 71 GLN 3.92 1.71 1 73 ALA -4.13 -1.89 1 74 VAL 0.16 -1.89 1 75 VAL 0.15 -0.14 1 76 VAL -6.39 -1.11 1 77 HIS -2.08 -0.17 1 78 ASP -2.88 -1.53 1 79 VAL 5.20 1.60 1 81 ALA 2.71 3.84 1 82 VAL 7.11 1.44 1 83 PHE 5.77 3.06 1 84 ALA 4.28 2.25 1 85 TYR 5.14 3.06 1 86 ALA 4.38 2.84 1 87 LYS 3.42 1.68 1 88 GLN 0.93 -1.20 1 91 ASP 1.48 -0.75 1 94 LEU -2.88 -1.13 1 95 VAL -2.82 -3.81 1 96 ILE 0.30 -0.43 1 100 ALA 5.34 0.83 1 101 GLN 4.91 2.15 1 102 ILE 4.54 1.66 1 103 PHE 4.57 2.92 1 104 THR 8.01 1.44 1 105 ALA 4.24 0.46 1 106 PHE -1.09 1.33 1 107 LYS 6.01 -0.50 1 108 ASP 1.76 -0.24 1 109 ASP -2.35 -1.31 1 110 VAL -0.19 -3.04 1 111 ASP -1.98 -0.92 1 112 THR -3.25 -2.67 1 113 LEU -0.54 -3.37 1 114 LEU -0.71 -3.31 1 115 VAL -5.17 -1.94 1 116 THR -0.54 -1.60 1 117 ARG -2.34 -0.22 1 123 GLU -0.96 -0.43 1 126 THR -1.22 -2.31 1 131 LEU -4.60 -1.81 1 132 ASN 1.12 0.76 1 133 TRP 5.22 1.38 1 134 ASP 3.52 0.41 1 135 ASP 1.25 -1.77 1 136 PHE -5.42 -1.98 1 137 THR -0.72 -1.75 1 138 LYS 4.32 -0.46 1 139 VAL 0.47 -0.15 1 140 SER -1.46 -2.14 1 141 SER -1.45 -1.35 1 142 ARG -3.06 -2.30 1 143 THR 0.58 -1.44 1 144 VAL -0.29 -2.04 1 145 GLU -0.79 -1.14 1 146 ASP -6.76 -1.99 1 147 THR 4.90 0.72 1 150 ALA 1.40 -0.46 1 152 THR 3.33 -2.33 1 153 HIS -7.01 -2.44 1 154 THR -2.69 -1.37 1 155 TYR -1.12 0.76 1 156 GLU -6.63 -0.11 1 157 VAL -1.21 -0.96 1 158 TRP -7.03 -0.10 1 159 GLN -7.10 -0.14 1 160 LYS 1.53 0.15 1 161 LYS 1.61 -1.14 1 stop_ save_