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 bmr5595_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -9.84 _LACS_plot.Line_1_terminator_val_y_1 -3.77 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.89 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.32 _LACS_plot.Line_2_terminator_val_x_2 6.90 _LACS_plot.Line_2_terminator_val_y_2 5.07 _LACS_plot.Y_axis_chem_shift_offset -0.11 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 76 MET 5.58 -1.37 0 10 ILE 0.78 -0.53 1 11 VAL -0.25 -0.22 1 13 GLN -3.17 -1.55 1 14 ASP -2.02 -0.07 1 15 MET 1.52 3.07 1 18 GLU -0.34 -0.15 1 19 THR 3.82 2.86 1 22 HIS -0.27 1.43 1 29 LEU 2.55 1.82 1 30 GLU -0.69 -0.63 1 31 HIS -1.47 0.24 1 35 LYS -5.67 -2.83 1 36 ALA -9.84 -2.45 1 37 GLN -6.21 -2.31 1 38 ILE -3.14 -0.13 1 39 PHE -1.67 -0.29 1 40 LEU -4.02 -2.43 1 41 GLU 1.05 1.74 1 43 SER -2.55 -1.11 1 45 ALA -2.89 -1.72 1 47 LEU -3.08 -1.39 1 48 PHE -3.51 -0.13 1 49 PHE -4.02 -0.38 1 50 SER 0.91 1.29 1 51 GLN -3.68 -0.90 1 52 VAL 6.91 5.01 1 53 ARG 4.51 3.49 1 54 ASP 2.61 2.58 1 55 ALA 1.37 1.37 1 56 ILE 5.74 4.06 1 57 ALA 3.75 3.14 1 58 TYR 4.55 4.02 1 59 ALA 2.08 1.60 1 60 ARG -0.66 -0.87 1 63 GLU -0.26 -0.56 1 64 GLN -0.97 -0.95 1 65 ILE 1.44 1.70 1 66 ALA -2.61 -0.13 1 68 ILE 0.82 1.17 1 69 LEU -0.00 1.19 1 70 VAL -1.27 -1.08 1 71 ILE -2.53 -1.14 1 72 TYR -5.42 -1.45 1 73 VAL -7.44 -3.84 1 74 ASN -2.93 0.79 1 75 ASP -2.21 -2.20 1 78 ALA 0.03 -0.32 1 79 ALA 2.70 1.47 1 81 ALA -0.70 0.50 1 82 THR -5.07 -2.49 1 83 TRP 3.57 3.49 1 84 ASP 1.44 1.71 1 85 GLN -1.76 -0.55 1 88 ASP 2.70 1.53 1 90 ASN 0.45 -2.04 1 91 TRP -7.28 -2.90 1 92 ILE -5.54 -2.05 1 93 ALA 0.85 0.33 1 94 ALA 1.92 1.67 1 95 ASP 2.86 1.00 1 96 LYS -1.16 -1.44 1 97 ALA -2.00 -1.37 1 98 PHE -2.17 -0.36 1 99 TYR -4.49 -1.52 1 100 VAL 0.08 -0.14 1 101 VAL -3.19 -1.38 1 103 SER -1.23 0.62 1 104 ALA 0.68 0.80 1 105 ARG -0.24 -0.66 1 106 ARG -2.64 -1.80 1 109 MET -0.98 -1.76 1 111 ALA 1.51 -0.16 1 113 GLU -8.73 -3.86 1 114 ALA -2.36 -2.83 1 115 VAL 0.63 1.26 1 117 PHE -5.34 -0.41 1 118 SER 1.74 1.58 1 119 SER -3.62 -2.95 1 120 ARG 4.74 3.02 1 121 ASP 3.81 2.91 1 122 GLU 2.49 1.69 1 123 ALA 2.62 1.68 1 124 ALA 3.66 2.40 1 125 ALA 3.92 2.55 1 126 PHE 3.50 3.87 1 127 VAL 3.76 2.51 1 128 LEU 3.64 2.78 1 129 ALA 0.42 1.60 1 130 GLU -2.46 -0.92 1 133 GLN -4.97 -1.53 1 134 VAL 0.94 0.26 1 135 LEU -5.53 -1.02 1 136 ALA -2.06 -1.39 1 137 LEU 4.28 3.48 1 138 ALA 1.55 1.17 1 139 ASP -1.91 0.16 1 140 ILE 2.34 1.09 1 141 THR -1.79 -1.15 1 142 ASP 4.78 3.18 1 143 ALA 2.35 1.82 1 144 MET 2.40 2.72 1 145 VAL -0.65 -0.71 1 146 LEU -0.59 -0.28 1 147 THR 0.60 0.77 1 149 VAL 0.33 0.30 1 150 GLU -0.67 -0.26 1 151 THR 0.48 0.29 1 153 SER -0.45 -0.17 1 154 GLU 0.17 0.57 1 156 ARG -0.80 -0.32 1 157 ALA 0.04 0.25 1 158 ASP 0.28 0.10 1 159 ASP 0.30 0.35 1 160 GLU 0.56 0.77 1 161 ASP 0.69 0.54 1 162 TYR 2.02 1.60 1 163 LEU 1.94 1.24 1 165 ARG 1.54 1.20 1 166 LEU 1.02 0.71 1 167 ARG 0.50 0.35 1 168 ALA -0.63 -0.38 1 169 LEU 0.08 0.19 1 171 HIS -0.10 0.39 1 173 ALA 0.32 0.40 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5595_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -9.84 _LACS_plot.Line_1_terminator_val_y_1 6.07 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.11 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.68 _LACS_plot.Line_2_terminator_val_x_2 6.90 _LACS_plot.Line_2_terminator_val_y_2 -1.83 _LACS_plot.Y_axis_chem_shift_offset -0.11 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 76 MET 5.58 -6.95 0 10 ILE 0.78 -1.31 1 11 VAL -0.25 0.03 1 13 GLN -3.17 1.62 1 14 ASP -2.02 1.95 1 15 MET 1.52 1.55 1 18 GLU -0.34 0.19 1 19 THR 3.82 -0.96 1 22 HIS -0.27 1.70 1 29 LEU 2.55 -0.73 1 30 GLU -0.69 0.06 1 31 HIS -1.47 1.71 1 35 LYS -5.67 2.84 1 36 ALA -9.84 7.39 1 37 GLN -6.21 3.90 1 38 ILE -3.14 3.01 1 39 PHE -1.67 1.38 1 40 LEU -4.02 1.59 1 41 GLU 1.05 0.69 1 43 SER -2.55 1.44 1 45 ALA -2.89 1.17 1 47 LEU -3.08 1.69 1 48 PHE -3.51 3.38 1 49 PHE -4.02 3.64 1 50 SER 0.91 0.38 1 51 GLN -3.68 2.78 1 52 VAL 6.91 -1.90 1 53 ARG 4.51 -1.02 1 54 ASP 2.61 -0.03 1 55 ALA 1.37 0.00 1 56 ILE 5.74 -1.68 1 57 ALA 3.75 -0.61 1 58 TYR 4.55 -0.53 1 59 ALA 2.08 -0.48 1 60 ARG -0.66 -0.21 1 63 GLU -0.26 -0.30 1 64 GLN -0.97 0.02 1 65 ILE 1.44 0.26 1 66 ALA -2.61 2.48 1 68 ILE 0.82 0.35 1 69 LEU -0.00 1.19 1 70 VAL -1.27 0.19 1 71 ILE -2.53 1.39 1 72 TYR -5.42 3.97 1 73 VAL -7.44 3.60 1 74 ASN -2.93 3.72 1 75 ASP -2.21 0.01 1 78 ALA 0.03 -0.35 1 79 ALA 2.70 -1.23 1 81 ALA -0.70 1.20 1 82 THR -5.07 2.58 1 83 TRP 3.57 -0.08 1 84 ASP 1.44 0.27 1 85 GLN -1.76 1.21 1 88 ASP 2.70 -1.17 1 90 ASN 0.45 -2.49 1 91 TRP -7.28 4.38 1 92 ILE -5.54 3.49 1 93 ALA 0.85 -0.52 1 94 ALA 1.92 -0.25 1 95 ASP 2.86 -1.86 1 96 LYS -1.16 -0.28 1 97 ALA -2.00 0.63 1 98 PHE -2.17 1.81 1 99 TYR -4.49 2.97 1 100 VAL 0.08 -0.22 1 101 VAL -3.19 1.81 1 103 SER -1.23 1.85 1 104 ALA 0.68 0.12 1 105 ARG -0.24 -0.42 1 106 ARG -2.64 0.84 1 109 MET -0.98 -0.78 1 111 ALA 1.51 -1.67 1 113 GLU -8.73 4.87 1 114 ALA -2.36 -0.47 1 115 VAL 0.63 0.63 1 117 PHE -5.34 4.93 1 118 SER 1.74 -0.16 1 119 SER -3.62 0.67 1 120 ARG 4.74 -1.72 1 121 ASP 3.81 -0.90 1 122 GLU 2.49 -0.80 1 123 ALA 2.62 -0.94 1 124 ALA 3.66 -1.26 1 125 ALA 3.92 -1.37 1 126 PHE 3.50 0.37 1 127 VAL 3.76 -1.25 1 128 LEU 3.64 -0.86 1 129 ALA 0.42 1.18 1 130 GLU -2.46 1.54 1 133 GLN -4.97 3.44 1 134 VAL 0.94 -0.68 1 135 LEU -5.53 4.51 1 136 ALA -2.06 0.67 1 137 LEU 4.28 -0.80 1 138 ALA 1.55 -0.38 1 139 ASP -1.91 2.07 1 140 ILE 2.34 -1.25 1 141 THR -1.79 0.64 1 142 ASP 4.78 -1.60 1 143 ALA 2.35 -0.53 1 144 MET 2.40 0.32 1 145 VAL -0.65 -0.06 1 146 LEU -0.59 0.31 1 147 THR 0.60 0.17 1 149 VAL 0.33 -0.03 1 150 GLU -0.67 0.41 1 151 THR 0.48 -0.19 1 153 SER -0.45 0.28 1 154 GLU 0.17 0.40 1 156 ARG -0.80 0.48 1 157 ALA 0.04 0.21 1 158 ASP 0.28 -0.18 1 159 ASP 0.30 0.05 1 160 GLU 0.56 0.21 1 161 ASP 0.69 -0.15 1 162 TYR 2.02 -0.42 1 163 LEU 1.94 -0.70 1 165 ARG 1.54 -0.34 1 166 LEU 1.02 -0.31 1 167 ARG 0.50 -0.15 1 168 ALA -0.63 0.25 1 169 LEU 0.08 0.11 1 171 HIS -0.10 0.49 1 173 ALA 0.32 0.08 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5595_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -9.84 _LACS_plot.Line_1_terminator_val_y_1 1.21 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.28 _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 6.90 _LACS_plot.Line_2_terminator_val_y_2 -0.82 _LACS_plot.Y_axis_chem_shift_offset 0.04 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 55 ALA 1.37 -1.75 0 10 ILE 0.78 -0.52 1 11 VAL -0.25 -0.33 1 13 GLN -3.17 0.03 1 14 ASP -2.02 0.69 1 18 GLU -0.34 -0.16 1 22 HIS -0.27 0.47 1 29 LEU 2.55 -0.26 1 30 GLU -0.69 -0.14 1 31 HIS -1.47 0.03 1 35 LYS -5.67 0.42 1 36 ALA -9.84 1.58 1 37 GLN -6.21 1.18 1 38 ILE -3.14 0.52 1 39 PHE -1.67 0.15 1 40 LEU -4.02 0.61 1 41 GLU 1.05 -0.36 1 43 SER -2.55 0.33 1 45 ALA -2.89 -0.62 1 47 LEU -3.08 -0.19 1 48 PHE -3.51 0.57 1 49 PHE -4.02 0.47 1 50 SER 0.91 -0.08 1 51 GLN -3.68 0.98 1 52 VAL 6.91 -0.75 1 53 ARG 4.51 -0.63 1 54 ASP 2.61 -0.05 1 56 ILE 5.74 -0.92 1 57 ALA 3.75 -0.62 1 58 TYR 4.55 -0.69 1 59 ALA 2.08 -0.44 1 60 ARG -0.66 -0.03 1 63 GLU -0.26 -0.06 1 64 GLN -0.97 -0.08 1 65 ILE 1.44 -0.14 1 66 ALA -2.61 -0.40 1 68 ILE 0.82 -0.14 1 69 LEU -0.00 0.02 1 70 VAL -1.27 0.10 1 71 ILE -2.53 0.66 1 72 TYR -5.42 1.16 1 73 VAL -7.44 1.63 1 74 ASN -2.93 -0.12 1 75 ASP -2.21 -0.48 1 76 MET 5.58 -0.01 1 78 ALA 0.03 -0.18 1 79 ALA 2.70 -0.19 1 81 ALA -0.70 -0.07 1 82 THR -5.07 0.35 1 83 TRP 3.57 -0.81 1 84 ASP 1.44 -0.29 1 85 GLN -1.76 -0.10 1 88 ASP 2.70 -0.24 1 90 ASN 0.45 -0.21 1 91 TRP -7.28 0.58 1 92 ILE -5.54 0.82 1 93 ALA 0.85 0.16 1 94 ALA 1.92 -0.34 1 95 ASP 2.86 -0.27 1 96 LYS -1.16 0.11 1 97 ALA -2.00 -0.05 1 98 PHE -2.17 -0.09 1 99 TYR -4.49 0.79 1 100 VAL 0.08 1.07 1 101 VAL -3.19 0.85 1 103 SER -1.23 -0.20 1 104 ALA 0.68 -0.09 1 105 ARG -0.24 -0.22 1 106 ARG -2.64 0.22 1 109 MET -0.98 0.40 1 111 ALA 1.51 0.30 1 113 GLU -8.73 1.31 1 114 ALA -2.36 0.63 1 115 VAL 0.63 -0.45 1 117 PHE -5.34 0.22 1 118 SER 1.74 -0.07 1 119 SER -3.62 0.50 1 120 ARG 4.74 -1.29 1 121 ASP 3.81 -0.39 1 122 GLU 2.49 -0.29 1 123 ALA 2.62 -0.31 1 124 ALA 3.66 -0.55 1 125 ALA 3.92 -0.29 1 126 PHE 3.50 0.10 1 127 VAL 3.76 -0.24 1 128 LEU 3.64 -0.40 1 129 ALA 0.42 -0.06 1 130 GLU -2.46 0.21 1 133 GLN -4.97 0.42 1 134 VAL 0.94 0.69 1 135 LEU -5.53 0.64 1 136 ALA -2.06 0.45 1 137 LEU 4.28 -0.70 1 138 ALA 1.55 -0.38 1 139 ASP -1.91 -0.03 1 140 ILE 2.34 -0.10 1 141 THR -1.79 0.04 1 142 ASP 4.78 -0.52 1 143 ALA 2.35 -0.26 1 144 MET 2.40 -0.40 1 145 VAL -0.65 0.23 1 146 LEU -0.59 0.07 1 147 THR 0.60 -0.16 1 149 VAL 0.33 -0.08 1 150 GLU -0.67 0.03 1 151 THR 0.48 0.01 1 153 SER -0.45 0.00 1 154 GLU 0.17 0.19 1 156 ARG -0.80 -0.02 1 157 ALA 0.04 -0.08 1 158 ASP 0.28 -0.09 1 159 ASP 0.30 -0.07 1 160 GLU 0.56 -0.19 1 161 ASP 0.69 -0.09 1 162 TYR 2.02 -0.26 1 163 LEU 1.94 -0.22 1 165 ARG 1.54 -0.14 1 166 LEU 1.02 -0.13 1 167 ARG 0.50 -0.10 1 168 ALA -0.63 -0.02 1 169 LEU 0.08 -0.16 1 171 HIS -0.10 -0.12 1 173 ALA 0.32 0.01 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5595_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -9.84 _LACS_plot.Line_1_terminator_val_y_1 -2.29 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.69 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.36 _LACS_plot.Line_2_terminator_val_x_2 6.90 _LACS_plot.Line_2_terminator_val_y_2 2.12 _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 70 VAL -1.27 -5.24 0 10 ILE 0.78 -1.37 1 13 GLN -3.17 -0.90 1 14 ASP -2.02 -0.92 1 18 GLU -0.34 0.06 1 29 LEU 2.55 -0.97 1 30 GLU -0.69 -0.87 1 35 LYS -5.67 -1.80 1 36 ALA -9.84 -2.59 1 37 GLN -6.21 -2.84 1 38 ILE -3.14 -1.88 1 39 PHE -1.67 -0.74 1 40 LEU -4.02 0.04 1 41 GLU 1.05 0.93 1 47 LEU -3.08 -1.48 1 48 PHE -3.51 -0.78 1 50 SER 0.91 -1.27 1 51 GLN -3.68 1.06 1 52 VAL 6.91 3.92 1 53 ARG 4.51 0.51 1 54 ASP 2.61 1.63 1 55 ALA 1.37 0.37 1 56 ILE 5.74 0.21 1 57 ALA 3.75 2.90 1 58 TYR 4.55 2.68 1 59 ALA 2.08 0.18 1 60 ARG -0.66 0.49 1 63 GLU -0.26 -1.02 1 64 GLN -0.97 0.53 1 65 ILE 1.44 -1.12 1 68 ILE 0.82 0.82 1 69 LEU -0.00 -0.84 1 71 ILE -2.53 -1.23 1 72 TYR -5.42 -0.45 1 73 VAL -7.44 -0.80 1 74 ASN -2.93 -2.84 1 75 ASP -2.21 1.87 1 76 MET 5.58 0.09 1 78 ALA 0.03 0.31 1 79 ALA 2.70 1.44 1 81 ALA -0.70 0.05 1 82 THR -5.07 -1.10 1 83 TRP 3.57 0.44 1 84 ASP 1.44 0.10 1 88 ASP 2.70 1.64 1 90 ASN 0.45 -2.25 1 91 TRP -7.28 -0.56 1 92 ILE -5.54 -1.25 1 93 ALA 0.85 2.16 1 94 ALA 1.92 2.79 1 95 ASP 2.86 0.25 1 96 LYS -1.16 -1.19 1 97 ALA -2.00 -2.74 1 98 PHE -2.17 -1.54 1 99 TYR -4.49 0.12 1 100 VAL 0.08 1.43 1 101 VAL -3.19 -0.09 1 103 SER -1.23 -0.19 1 104 ALA 0.68 0.51 1 105 ARG -0.24 -0.50 1 106 ARG -2.64 0.60 1 109 MET -0.98 1.18 1 113 GLU -8.73 -1.67 1 114 ALA -2.36 -3.30 1 117 PHE -5.34 0.11 1 118 SER 1.74 0.66 1 119 SER -3.62 0.61 1 120 ARG 4.74 1.42 1 121 ASP 3.81 2.97 1 122 GLU 2.49 2.19 1 123 ALA 2.62 0.55 1 124 ALA 3.66 2.73 1 125 ALA 3.92 2.31 1 127 VAL 3.76 3.62 1 128 LEU 3.64 0.38 1 129 ALA 0.42 1.65 1 130 GLU -2.46 1.20 1 133 GLN -4.97 -2.44 1 134 VAL 0.94 -0.32 1 135 LEU -5.53 -1.60 1 136 ALA -2.06 0.61 1 137 LEU 4.28 1.37 1 138 ALA 1.55 0.48 1 139 ASP -1.91 -0.75 1 140 ILE 2.34 0.65 1 141 THR -1.79 0.83 1 142 ASP 4.78 1.82 1 143 ALA 2.35 0.18 1 144 MET 2.40 0.96 1 146 LEU -0.59 -0.35 1 149 VAL 0.33 -0.08 1 150 GLU -0.67 0.07 1 151 THR 0.48 0.61 1 153 SER -0.45 -0.16 1 156 ARG -0.80 -0.10 1 157 ALA 0.04 -0.31 1 159 ASP 0.30 0.35 1 160 GLU 0.56 0.50 1 161 ASP 0.69 0.68 1 163 LEU 1.94 0.89 1 166 LEU 1.02 0.29 1 167 ARG 0.50 -0.45 1 168 ALA -0.63 -0.59 1 173 ALA 0.32 0.54 1 stop_ save_