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 bmr16780_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.26 _LACS_plot.Line_1_terminator_val_y_1 -2.84 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.30 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.26 _LACS_plot.Line_2_terminator_val_x_2 6.61 _LACS_plot.Line_2_terminator_val_y_2 4.94 _LACS_plot.Y_axis_chem_shift_offset -0.29 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 103 GLN 2.35 5.39 0 10 SER -0.24 0.05 1 11 VAL -0.35 -0.35 1 12 SER -0.78 -0.42 1 13 THR -0.76 -0.33 1 17 LYS 5.19 3.80 1 18 ALA 3.27 2.30 1 19 TYR 3.76 3.28 1 20 ARG 6.05 4.76 1 21 ASP 5.22 3.81 1 22 ALA 3.60 3.42 1 23 MET 3.05 1.45 1 24 SER 3.34 2.72 1 25 HIS -0.79 -0.84 1 26 TYR -4.50 -2.30 1 27 ALA -1.69 -0.08 1 29 ALA 1.27 0.35 1 30 VAL 3.86 2.51 1 31 GLN -6.38 -4.83 1 32 ILE -1.66 0.34 1 33 VAL -3.58 -3.23 1 34 THR -4.65 -2.36 1 35 THR 0.55 -0.32 1 36 ALA -2.97 -0.58 1 38 ALA 3.51 2.50 1 39 ALA -0.94 -0.42 1 41 ARG -2.98 -1.81 1 42 ARG -4.06 -1.22 1 44 LEU -1.24 0.75 1 45 THR 2.85 0.84 1 46 LEU -4.87 -0.16 1 47 THR -0.52 -0.01 1 48 ALA 2.59 0.25 1 49 ALA -6.59 -1.97 1 51 SER 1.32 -0.16 1 52 VAL 0.61 0.92 1 53 SER -3.55 -2.05 1 54 ASP -1.91 -1.97 1 55 ASN 0.32 0.44 1 58 THR -3.50 0.15 1 59 ILE -5.66 -1.48 1 60 LEU -5.03 -2.68 1 61 ILE -5.80 -2.09 1 63 LEU -6.53 -2.84 1 64 GLN 2.71 2.00 1 65 LYS 2.75 2.19 1 66 ILE 2.13 1.59 1 71 ARG 4.29 3.02 1 72 ILE 4.83 4.65 1 73 PHE 4.13 4.77 1 74 ILE 3.78 3.89 1 75 GLU 2.31 2.36 1 76 ASN 2.20 1.34 1 78 VAL -7.26 -3.74 1 79 PHE -2.18 -0.70 1 80 ALA -4.09 -2.47 1 81 ILE -2.27 -0.53 1 82 ASN -3.37 -0.43 1 83 THR 3.61 2.09 1 84 LEU 0.06 0.33 1 85 ALA -6.61 -2.71 1 88 HIS -2.61 1.34 1 89 GLN 6.62 5.06 1 90 GLN 5.41 3.74 1 91 LEU 2.42 2.20 1 92 ALA 3.25 1.91 1 93 ASP 2.91 2.65 1 94 ALA 2.80 2.61 1 95 PHE 5.01 3.64 1 96 SER -1.83 0.23 1 98 ARG 1.67 2.55 1 99 ILE -1.01 -1.13 1 101 LEU -0.18 0.23 1 102 THR -1.12 -0.37 1 104 ASP 4.58 3.86 1 105 GLU 0.57 2.09 1 106 ARG 5.56 3.07 1 107 PHE 6.26 5.81 1 108 GLU 1.62 1.31 1 109 LEU 0.21 0.73 1 110 ALA -5.96 -1.96 1 111 ALA -3.44 -1.92 1 112 TRP -5.66 -2.31 1 113 GLU -6.44 -3.14 1 114 ILE -3.28 -1.06 1 115 LEU 0.03 -0.20 1 116 ALA -2.60 0.84 1 117 THR 0.76 2.39 1 119 ALA 0.91 0.39 1 121 VAL -1.76 -1.32 1 122 LEU -1.15 -0.60 1 123 LYS 3.43 1.87 1 125 ALA 1.01 0.24 1 126 LEU 0.99 2.48 1 127 ALA -4.12 -0.88 1 128 ALA -5.20 -1.14 1 129 PHE -3.06 -2.17 1 130 ASP -2.43 -0.44 1 132 ARG -3.75 -2.20 1 133 VAL 3.12 2.24 1 134 VAL -1.23 -0.59 1 135 SER -0.38 0.66 1 136 VAL -2.12 -0.59 1 137 GLN -5.10 -1.86 1 138 ASP -0.82 0.34 1 139 HIS -1.42 0.73 1 141 THR 0.15 0.71 1 142 HIS -4.58 0.91 1 143 HIS -2.74 1.17 1 144 VAL -1.11 -0.49 1 145 LEU -1.82 -0.46 1 146 PHE -1.82 -0.78 1 148 GLU -3.65 -2.02 1 149 VAL 2.69 1.20 1 150 VAL -0.87 -1.21 1 152 LEU -6.26 -0.92 1 153 SER -3.16 -1.28 1 154 SER -1.10 0.05 1 155 HIS -1.93 0.64 1 156 ALA 1.09 -0.23 1 157 GLU -3.93 -1.60 1 158 GLU 1.25 2.59 1 159 GLU -6.85 -2.07 1 160 ALA -4.81 -1.70 1 161 LEU -2.64 -0.77 1 162 ILE -5.78 -2.44 1 163 TYR -1.35 0.43 1 164 LEU -2.12 -0.14 1 165 ASN 2.68 1.07 1 166 ARG 6.31 2.03 1 167 ARG -3.69 -1.44 1 168 TYR 0.46 1.53 1 169 HIS -6.20 -1.10 1 170 LYS -2.27 -0.93 1 171 LEU -6.06 -1.84 1 172 GLU 0.63 0.41 1 173 LEU 5.45 5.29 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr16780_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.26 _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 -0.70 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.74 _LACS_plot.Line_2_terminator_val_x_2 6.61 _LACS_plot.Line_2_terminator_val_y_2 -1.67 _LACS_plot.Y_axis_chem_shift_offset -0.29 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 103 GLN 2.35 3.04 0 10 SER -0.24 0.29 1 11 VAL -0.35 0.00 1 12 SER -0.78 0.36 1 13 THR -0.76 0.43 1 17 LYS 5.19 -1.39 1 18 ALA 3.27 -0.97 1 19 TYR 3.76 -0.48 1 20 ARG 6.05 -1.29 1 21 ASP 5.22 -1.41 1 22 ALA 3.60 -0.18 1 23 MET 3.05 -1.60 1 24 SER 3.34 -0.62 1 25 HIS -0.79 -0.05 1 26 TYR -4.50 2.20 1 27 ALA -1.69 1.61 1 29 ALA 1.27 -0.92 1 30 VAL 3.86 -1.35 1 31 GLN -6.38 1.55 1 32 ILE -1.66 2.00 1 33 VAL -3.58 0.35 1 34 THR -4.65 2.29 1 35 THR 0.55 -0.87 1 36 ALA -2.97 2.39 1 38 ALA 3.51 -1.01 1 39 ALA -0.94 0.52 1 41 ARG -2.98 1.17 1 42 ARG -4.06 2.84 1 44 LEU -1.24 1.99 1 45 THR 2.85 -2.01 1 46 LEU -4.87 4.71 1 47 THR -0.52 0.51 1 48 ALA 2.59 -2.34 1 49 ALA -6.59 4.62 1 51 SER 1.32 -1.48 1 52 VAL 0.61 0.31 1 53 SER -3.55 1.50 1 54 ASP -1.91 -0.06 1 55 ASN 0.32 0.12 1 58 THR -3.50 3.65 1 59 ILE -5.66 4.18 1 60 LEU -5.03 2.35 1 61 ILE -5.80 3.71 1 63 LEU -6.53 3.69 1 64 GLN 2.71 -0.71 1 65 LYS 2.75 -0.56 1 66 ILE 2.13 -0.54 1 71 ARG 4.29 -1.27 1 72 ILE 4.83 -0.18 1 73 PHE 4.13 0.64 1 74 ILE 3.78 0.11 1 75 GLU 2.31 0.05 1 76 ASN 2.20 -0.86 1 78 VAL -7.26 3.52 1 79 PHE -2.18 1.48 1 80 ALA -4.09 1.62 1 81 ILE -2.27 1.74 1 82 ASN -3.37 2.94 1 83 THR 3.61 -1.52 1 84 LEU 0.06 0.27 1 85 ALA -6.61 3.90 1 88 HIS -2.61 3.95 1 89 GLN 6.62 -1.56 1 90 GLN 5.41 -1.67 1 91 LEU 2.42 -0.22 1 92 ALA 3.25 -1.34 1 93 ASP 2.91 -0.26 1 94 ALA 2.80 -0.19 1 95 PHE 5.01 -1.37 1 96 SER -1.83 2.06 1 98 ARG 1.67 0.88 1 99 ILE -1.01 -0.12 1 101 LEU -0.18 0.41 1 102 THR -1.12 0.75 1 104 ASP 4.58 -0.72 1 105 GLU 0.57 1.52 1 106 ARG 5.56 -2.49 1 107 PHE 6.26 -0.45 1 108 GLU 1.62 -0.31 1 109 LEU 0.21 0.52 1 110 ALA -5.96 4.00 1 111 ALA -3.44 1.52 1 112 TRP -5.66 3.35 1 113 GLU -6.44 3.30 1 114 ILE -3.28 2.22 1 115 LEU 0.03 -0.23 1 116 ALA -2.60 3.44 1 117 THR 0.76 1.63 1 119 ALA 0.91 -0.52 1 121 VAL -1.76 0.44 1 122 LEU -1.15 0.55 1 123 LYS 3.43 -1.56 1 125 ALA 1.01 -0.77 1 126 LEU 0.99 1.49 1 127 ALA -4.12 3.24 1 128 ALA -5.20 4.06 1 129 PHE -3.06 0.89 1 130 ASP -2.43 1.99 1 132 ARG -3.75 1.55 1 133 VAL 3.12 -0.88 1 134 VAL -1.23 0.64 1 135 SER -0.38 1.04 1 136 VAL -2.12 1.53 1 137 GLN -5.10 3.24 1 138 ASP -0.82 1.16 1 139 HIS -1.42 2.15 1 141 THR 0.15 0.56 1 142 HIS -4.58 5.49 1 143 HIS -2.74 3.91 1 144 VAL -1.11 0.62 1 145 LEU -1.82 1.36 1 146 PHE -1.82 1.04 1 148 GLU -3.65 1.63 1 149 VAL 2.69 -1.49 1 150 VAL -0.87 -0.34 1 152 LEU -6.26 5.34 1 153 SER -3.16 1.88 1 154 SER -1.10 1.15 1 155 HIS -1.93 2.57 1 156 ALA 1.09 -1.32 1 157 GLU -3.93 2.33 1 158 GLU 1.25 1.34 1 159 GLU -6.85 4.78 1 160 ALA -4.81 3.11 1 161 LEU -2.64 1.87 1 162 ILE -5.78 3.34 1 163 TYR -1.35 1.78 1 164 LEU -2.12 1.98 1 165 ASN 2.68 -1.61 1 166 ARG 6.31 -4.28 1 167 ARG -3.69 2.25 1 168 TYR 0.46 1.07 1 169 HIS -6.20 5.10 1 170 LYS -2.27 1.34 1 171 LEU -6.06 4.22 1 172 GLU 0.63 -0.22 1 173 LEU 5.45 -0.16 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr16780_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.26 _LACS_plot.Line_1_terminator_val_y_1 0.90 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.19 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.30 _LACS_plot.Line_2_terminator_val_x_2 6.26 _LACS_plot.Line_2_terminator_val_y_2 -0.70 _LACS_plot.Y_axis_chem_shift_offset -0.05 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 33 VAL -3.58 1.63 0 90 GLN 5.41 0.37 0 114 ILE -3.28 -0.81 0 122 LEU -1.15 -1.15 0 18 ALA 3.27 -0.29 1 19 TYR 3.76 -0.44 1 22 ALA 3.60 -0.47 1 24 SER 3.34 0.62 1 26 TYR -4.50 0.09 1 30 VAL 3.86 -0.53 1 31 GLN -6.38 1.10 1 32 ILE -1.66 0.31 1 34 THR -4.65 1.49 1 36 ALA -2.97 0.31 1 41 ARG -2.98 0.59 1 42 ARG -4.06 0.51 1 46 LEU -4.87 0.87 1 47 THR -0.52 0.30 1 49 ALA -6.59 0.72 1 51 SER 1.32 0.75 1 52 VAL 0.61 -0.15 1 53 SER -3.55 -0.27 1 54 ASP -1.91 -0.46 1 55 ASN 0.32 -0.42 1 58 THR -3.50 0.26 1 61 ILE -5.80 0.91 1 63 LEU -6.53 0.88 1 71 ARG 4.29 -0.49 1 72 ILE 4.83 -0.78 1 73 PHE 4.13 -0.69 1 74 ILE 3.78 -0.81 1 75 GLU 2.31 -0.49 1 76 ASN 2.20 -0.16 1 78 VAL -7.26 1.11 1 79 PHE -2.18 0.96 1 80 ALA -4.09 1.43 1 81 ILE -2.27 0.30 1 82 ASN -3.37 0.54 1 83 THR 3.61 0.42 1 84 LEU 0.06 -0.24 1 85 ALA -6.61 0.80 1 88 HIS -2.61 0.05 1 91 LEU 2.42 -0.41 1 93 ASP 2.91 -0.11 1 95 PHE 5.01 -0.51 1 96 SER -1.83 0.85 1 98 ARG 1.67 -0.52 1 102 THR -1.12 -0.06 1 103 GLN 2.35 -1.01 1 104 ASP 4.58 0.25 1 105 GLU 0.57 -0.55 1 106 ARG 5.56 -0.90 1 107 PHE 6.26 -0.50 1 108 GLU 1.62 -0.06 1 109 LEU 0.21 -0.28 1 111 ALA -3.44 0.30 1 112 TRP -5.66 0.56 1 113 GLU -6.44 0.38 1 115 LEU 0.03 0.22 1 116 ALA -2.60 0.16 1 117 THR 0.76 -0.40 1 119 ALA 0.91 -0.56 1 123 LYS 3.43 -0.53 1 125 ALA 1.01 -0.48 1 126 LEU 0.99 0.10 1 127 ALA -4.12 0.19 1 128 ALA -5.20 1.03 1 129 PHE -3.06 0.21 1 130 ASP -2.43 0.38 1 132 ARG -3.75 0.48 1 133 VAL 3.12 -0.02 1 134 VAL -1.23 0.43 1 135 SER -0.38 0.12 1 136 VAL -2.12 0.85 1 139 HIS -1.42 0.88 1 142 HIS -4.58 0.57 1 143 HIS -2.74 0.36 1 144 VAL -1.11 0.77 1 145 LEU -1.82 0.91 1 146 PHE -1.82 0.18 1 148 GLU -3.65 0.63 1 149 VAL 2.69 0.02 1 150 VAL -0.87 0.44 1 152 LEU -6.26 0.83 1 153 SER -3.16 -0.05 1 158 GLU 1.25 -0.32 1 159 GLU -6.85 0.54 1 160 ALA -4.81 0.23 1 161 LEU -2.64 0.66 1 162 ILE -5.78 0.67 1 163 TYR -1.35 0.61 1 164 LEU -2.12 0.21 1 170 LYS -2.27 0.90 1 171 LEU -6.06 0.25 1 172 GLU 0.63 0.11 1 173 LEU 5.45 -0.70 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr16780_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.26 _LACS_plot.Line_1_terminator_val_y_1 -2.46 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.50 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.91 _LACS_plot.Line_2_terminator_val_x_2 6.61 _LACS_plot.Line_2_terminator_val_y_2 2.30 _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 48 ALA 2.59 -5.24 0 10 SER -0.24 -2.30 1 11 VAL -0.35 -0.67 1 12 SER -0.78 -0.24 1 17 LYS 5.19 1.40 1 18 ALA 3.27 2.54 1 20 ARG 6.05 2.14 1 21 ASP 5.22 4.03 1 23 MET 3.05 3.50 1 24 SER 3.34 2.12 1 25 HIS -0.79 -3.08 1 26 TYR -4.50 -1.27 1 27 ALA -1.69 -1.58 1 29 ALA 1.27 -0.41 1 30 VAL 3.86 -3.73 1 31 GLN -6.38 2.08 1 32 ILE -1.66 1.07 1 33 VAL -3.58 -1.15 1 34 THR -4.65 -0.66 1 35 THR 0.55 -4.19 1 36 ALA -2.97 -2.65 1 38 ALA 3.51 0.73 1 39 ALA -0.94 -1.10 1 41 ARG -2.98 -1.14 1 42 ARG -4.06 -2.56 1 44 LEU -1.24 -3.48 1 45 THR 2.85 -1.57 1 46 LEU -4.87 -2.95 1 47 THR -0.52 0.75 1 49 ALA -6.59 -1.32 1 51 SER 1.32 0.02 1 52 VAL 0.61 0.39 1 53 SER -3.55 -2.30 1 54 ASP -1.91 -0.68 1 58 THR -3.50 -1.57 1 60 LEU -5.03 -2.19 1 61 ILE -5.80 -1.47 1 63 LEU -6.53 -0.68 1 64 GLN 2.71 1.96 1 65 LYS 2.75 2.22 1 66 ILE 2.13 -1.01 1 71 ARG 4.29 1.43 1 72 ILE 4.83 1.09 1 73 PHE 4.13 1.17 1 74 ILE 3.78 1.87 1 75 GLU 2.31 2.44 1 76 ASN 2.20 3.04 1 78 VAL -7.26 -2.18 1 79 PHE -2.18 -4.93 1 80 ALA -4.09 -1.08 1 81 ILE -2.27 -2.29 1 82 ASN -3.37 -2.63 1 83 THR 3.61 0.91 1 84 LEU 0.06 -1.05 1 85 ALA -6.61 -0.09 1 88 HIS -2.61 1.37 1 89 GLN 6.62 2.05 1 90 GLN 5.41 2.77 1 91 LEU 2.42 0.92 1 92 ALA 3.25 3.37 1 93 ASP 2.91 -0.80 1 94 ALA 2.80 3.10 1 95 PHE 5.01 -0.37 1 96 SER -1.83 1.55 1 98 ARG 1.67 0.65 1 99 ILE -1.01 -0.40 1 101 LEU -0.18 0.91 1 102 THR -1.12 2.99 1 103 GLN 2.35 1.96 1 104 ASP 4.58 2.54 1 105 GLU 0.57 2.69 1 106 ARG 5.56 1.17 1 107 PHE 6.26 3.23 1 108 GLU 1.62 0.05 1 109 LEU 0.21 -1.60 1 110 ALA -5.96 -4.72 1 111 ALA -3.44 -0.58 1 112 TRP -5.66 -0.44 1 113 GLU -6.44 -2.74 1 114 ILE -3.28 -0.83 1 115 LEU 0.03 -3.22 1 116 ALA -2.60 1.24 1 117 THR 0.76 2.52 1 121 VAL -1.76 -0.87 1 122 LEU -1.15 -0.73 1 123 LYS 3.43 0.54 1 125 ALA 1.01 -0.42 1 126 LEU 0.99 1.14 1 127 ALA -4.12 -4.19 1 128 ALA -5.20 -2.92 1 129 PHE -3.06 -2.19 1 130 ASP -2.43 0.20 1 132 ARG -3.75 -0.64 1 133 VAL 3.12 0.44 1 134 VAL -1.23 -0.11 1 135 SER -0.38 -2.04 1 136 VAL -2.12 -1.00 1 137 GLN -5.10 -1.35 1 138 ASP -0.82 -0.90 1 141 THR 0.15 1.77 1 142 HIS -4.58 0.87 1 143 HIS -2.74 1.81 1 144 VAL -1.11 -1.41 1 145 LEU -1.82 -2.22 1 146 PHE -1.82 0.37 1 148 GLU -3.65 0.06 1 149 VAL 2.69 -0.41 1 150 VAL -0.87 -0.87 1 152 LEU -6.26 -2.40 1 153 SER -3.16 -2.03 1 154 SER -1.10 -2.04 1 156 ALA 1.09 -1.31 1 157 GLU -3.93 -0.93 1 158 GLU 1.25 0.87 1 159 GLU -6.85 -1.44 1 160 ALA -4.81 -1.85 1 161 LEU -2.64 -1.68 1 162 ILE -5.78 -2.34 1 163 TYR -1.35 -1.03 1 164 LEU -2.12 -2.18 1 165 ASN 2.68 -1.33 1 166 ARG 6.31 -2.34 1 167 ARG -3.69 -2.43 1 168 TYR 0.46 0.58 1 169 HIS -6.20 -0.76 1 170 LYS -2.27 -1.49 1 171 LEU -6.06 -3.21 1 172 GLU 0.63 -1.97 1 stop_ save_