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 bmr16330_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.08 _LACS_plot.Line_1_terminator_val_y_1 -3.63 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.62 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.60 _LACS_plot.Line_2_terminator_val_x_2 8.73 _LACS_plot.Line_2_terminator_val_y_2 6.38 _LACS_plot.Y_axis_chem_shift_offset -0.58 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 20 ASP -4.07 0.94 0 147 ILE 1.71 -1.89 0 154 PHE -7.08 -1.45 0 10 ASN -0.48 1.86 1 12 LYS -0.08 0.40 1 14 LEU -3.51 -1.36 1 15 VAL -1.19 -1.08 1 16 VAL -4.07 -2.12 1 17 VAL -2.98 -0.64 1 18 TYR -2.15 -1.85 1 21 TYR 5.31 4.23 1 22 LYS 1.90 0.96 1 25 TYR 4.92 3.30 1 27 LYS 4.32 3.60 1 28 GLU 3.71 3.06 1 29 LEU 5.43 5.86 1 30 ASP 1.97 4.85 1 31 GLU 1.72 2.53 1 32 LYS 0.55 2.52 1 33 VAL 1.40 2.50 1 34 MET 8.73 4.79 1 36 LYS 3.48 2.96 1 37 LEU 2.86 3.65 1 38 ARG 5.30 4.54 1 39 LYS 2.63 2.59 1 40 ASN 0.35 1.92 1 41 TYR -0.21 2.92 1 42 ILE 2.74 3.71 1 43 ASP 4.23 2.98 1 44 ASN 0.62 -1.32 1 45 HIS 3.80 2.01 1 46 LYS 1.24 2.53 1 47 VAL -6.38 -4.14 1 48 GLU -3.39 -1.36 1 49 TYR -6.14 -2.36 1 50 GLN -4.26 -1.50 1 51 PHE -3.92 -2.63 1 52 VAL -0.56 -0.92 1 53 ASN -3.32 -2.22 1 54 LEU 2.77 4.56 1 55 ALA 1.77 0.16 1 56 PHE -2.89 -1.27 1 57 LEU 1.32 0.48 1 59 LYS 3.65 2.98 1 60 ASP 2.43 0.04 1 61 SER 6.81 5.31 1 62 ILE 0.20 -0.13 1 63 VAL 6.62 4.62 1 65 SER 1.05 1.65 1 66 ARG 3.59 4.44 1 67 ALA 4.28 3.48 1 68 SER 3.00 2.90 1 69 HIS 4.09 6.53 1 70 ALA 2.99 3.45 1 71 VAL 6.53 5.11 1 72 LEU 4.38 3.31 1 73 MET 2.76 3.05 1 74 TYR 0.44 0.68 1 75 ALA -1.73 0.33 1 77 LYS 4.09 2.71 1 78 SER 0.65 1.58 1 79 PHE 3.66 4.61 1 80 LEU 5.61 3.37 1 81 ASP 4.45 3.34 1 82 PHE 4.19 3.83 1 83 GLN 4.31 4.78 1 84 LYS 3.54 2.78 1 85 GLN 3.18 2.41 1 86 LEU 4.17 2.51 1 87 PHE 6.38 5.55 1 88 ALA 2.78 1.87 1 89 ALA -1.92 -1.29 1 90 GLN -0.49 2.10 1 91 GLN -3.61 -2.57 1 92 ASP -0.13 1.50 1 93 GLU 2.51 2.41 1 94 ASN 1.04 0.85 1 95 LYS -2.31 -0.95 1 96 GLU 0.95 -1.13 1 97 TRP -2.07 -1.62 1 98 LEU 1.99 -0.86 1 99 THR -4.76 -2.96 1 100 LYS 3.60 2.71 1 101 GLU 4.41 3.69 1 102 LEU 3.83 3.78 1 103 LEU 5.25 3.59 1 104 ASP 5.57 3.84 1 105 LYS 5.00 3.97 1 106 HIS 5.74 6.23 1 107 ILE 5.02 4.59 1 108 LYS 4.52 3.65 1 109 GLN 2.35 1.29 1 110 LEU 1.32 0.71 1 111 HIS 4.18 1.59 1 112 LEU -2.14 -1.30 1 113 ASP -0.29 0.15 1 114 LYS 3.84 2.94 1 115 GLU 3.79 3.14 1 117 GLU 2.67 4.32 1 118 ASN 3.36 2.95 1 119 LYS 4.64 3.78 1 120 ILE 5.16 5.10 1 121 ILE 4.97 4.49 1 122 LYS 2.92 2.56 1 123 ASP 1.57 4.92 1 124 TYR 3.71 1.88 1 125 LYS -0.92 0.45 1 126 THR 1.09 1.33 1 129 SER -2.06 -0.74 1 130 LYS 5.12 4.66 1 132 TRP 5.62 4.24 1 133 LYS 3.95 3.29 1 134 ALA 4.11 2.63 1 135 ALA 2.60 2.44 1 136 GLU 2.84 2.52 1 137 LYS 4.63 3.18 1 138 ASP 2.24 3.11 1 139 LYS 5.18 4.11 1 140 LYS 3.67 3.06 1 141 ILE 5.01 4.10 1 142 ALA 3.60 3.18 1 143 LYS 4.01 3.23 1 144 ASP 3.89 2.65 1 145 ASN -0.18 0.07 1 146 HIS 3.77 1.62 1 148 LYS -2.27 -0.39 1 149 THR -2.65 -1.29 1 150 THR -3.21 -2.45 1 152 THR -0.36 1.58 1 153 ALA -6.13 -2.12 1 155 ILE -0.99 -0.58 1 156 ASN 2.90 1.13 1 158 GLU -2.66 -1.47 1 159 LYS 0.97 0.85 1 160 VAL 1.89 0.15 1 161 GLU 3.11 3.10 1 162 ASP -2.78 -2.22 1 164 TYR 0.10 -0.70 1 165 ASP -4.32 -2.33 1 166 TYR 4.14 4.57 1 167 GLU 3.94 3.07 1 168 SER 3.64 3.82 1 169 TYR 4.30 2.55 1 170 GLU 3.37 3.44 1 171 LYS 4.12 3.54 1 172 LEU 0.17 1.17 1 173 LEU 1.40 1.77 1 174 LYS 4.03 3.40 1 175 ASP 0.99 1.05 1 176 LYS -0.71 0.37 1 177 ILE -0.61 -0.41 1 178 LYS 0.07 -0.19 1 179 LEU 0.42 1.71 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr16330_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.08 _LACS_plot.Line_1_terminator_val_y_1 3.45 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.38 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 1.40 _LACS_plot.Line_2_terminator_val_x_2 8.73 _LACS_plot.Line_2_terminator_val_y_2 -2.35 _LACS_plot.Y_axis_chem_shift_offset -0.58 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 20 ASP -4.07 5.01 0 147 ILE 1.71 -3.60 0 154 PHE -7.08 5.63 0 10 ASN -0.48 2.34 1 12 LYS -0.08 0.48 1 14 LEU -3.51 2.15 1 15 VAL -1.19 0.11 1 16 VAL -4.07 1.95 1 17 VAL -2.98 2.34 1 18 TYR -2.15 0.30 1 21 TYR 5.31 -1.08 1 22 LYS 1.90 -0.94 1 25 TYR 4.92 -1.62 1 27 LYS 4.32 -0.72 1 28 GLU 3.71 -0.65 1 29 LEU 5.43 0.43 1 30 ASP 1.97 2.88 1 31 GLU 1.72 0.81 1 32 LYS 0.55 1.97 1 33 VAL 1.40 1.10 1 34 MET 8.73 -3.94 1 36 LYS 3.48 -0.52 1 37 LEU 2.86 0.79 1 38 ARG 5.30 -0.76 1 39 LYS 2.63 -0.04 1 40 ASN 0.35 1.57 1 41 TYR -0.21 3.13 1 42 ILE 2.74 0.97 1 43 ASP 4.23 -1.25 1 44 ASN 0.62 -1.94 1 45 HIS 3.80 -1.79 1 46 LYS 1.24 1.29 1 47 VAL -6.38 2.24 1 48 GLU -3.39 2.03 1 49 TYR -6.14 3.78 1 50 GLN -4.26 2.76 1 51 PHE -3.92 1.29 1 52 VAL -0.56 -0.36 1 53 ASN -3.32 1.10 1 54 LEU 2.77 1.79 1 55 ALA 1.77 -1.61 1 56 PHE -2.89 1.62 1 57 LEU 1.32 -0.84 1 59 LYS 3.65 -0.67 1 60 ASP 2.43 -2.39 1 61 SER 6.81 -1.50 1 62 ILE 0.20 -0.33 1 63 VAL 6.62 -2.00 1 65 SER 1.05 0.60 1 66 ARG 3.59 0.85 1 67 ALA 4.28 -0.80 1 68 SER 3.00 -0.10 1 69 HIS 4.09 2.44 1 70 ALA 2.99 0.46 1 71 VAL 6.53 -1.42 1 72 LEU 4.38 -1.07 1 73 MET 2.76 0.29 1 74 TYR 0.44 0.24 1 75 ALA -1.73 2.06 1 77 LYS 4.09 -1.38 1 78 SER 0.65 0.93 1 79 PHE 3.66 0.95 1 80 LEU 5.61 -2.24 1 81 ASP 4.45 -1.11 1 82 PHE 4.19 -0.36 1 83 GLN 4.31 0.47 1 84 LYS 3.54 -0.76 1 85 GLN 3.18 -0.77 1 86 LEU 4.17 -1.66 1 87 PHE 6.38 -0.83 1 88 ALA 2.78 -0.91 1 89 ALA -1.92 0.63 1 90 GLN -0.49 2.59 1 91 GLN -3.61 1.04 1 92 ASP -0.13 1.63 1 93 GLU 2.51 -0.10 1 94 ASN 1.04 -0.19 1 95 LYS -2.31 1.36 1 96 GLU 0.95 -2.08 1 97 TRP -2.07 0.45 1 98 LEU 1.99 -2.85 1 99 THR -4.76 1.80 1 100 LYS 3.60 -0.89 1 101 GLU 4.41 -0.72 1 102 LEU 3.83 -0.05 1 103 LEU 5.25 -1.66 1 104 ASP 5.57 -1.73 1 105 LYS 5.00 -1.03 1 106 HIS 5.74 0.49 1 107 ILE 5.02 -0.43 1 108 LYS 4.52 -0.87 1 109 GLN 2.35 -1.06 1 110 LEU 1.32 -0.61 1 111 HIS 4.18 -2.59 1 112 LEU -2.14 0.84 1 113 ASP -0.29 0.44 1 114 LYS 3.84 -0.90 1 115 GLU 3.79 -0.65 1 117 GLU 2.67 1.65 1 118 ASN 3.36 -0.41 1 119 LYS 4.64 -0.86 1 120 ILE 5.16 -0.06 1 121 ILE 4.97 -0.48 1 122 LYS 2.92 -0.36 1 123 ASP 1.57 3.35 1 124 TYR 3.71 -1.83 1 125 LYS -0.92 1.37 1 126 THR 1.09 0.24 1 129 SER -2.06 1.32 1 130 LYS 5.12 -0.46 1 132 TRP 5.62 -1.38 1 133 LYS 3.95 -0.66 1 134 ALA 4.11 -1.48 1 135 ALA 2.60 -0.16 1 136 GLU 2.84 -0.32 1 137 LYS 4.63 -1.45 1 138 ASP 2.24 0.87 1 139 LYS 5.18 -1.07 1 140 LYS 3.67 -0.61 1 141 ILE 5.01 -0.91 1 142 ALA 3.60 -0.42 1 143 LYS 4.01 -0.78 1 144 ASP 3.89 -1.24 1 145 ASN -0.18 0.25 1 146 HIS 3.77 -2.15 1 148 LYS -2.27 1.88 1 149 THR -2.65 1.36 1 150 THR -3.21 0.76 1 152 THR -0.36 1.94 1 153 ALA -6.13 4.01 1 155 ILE -0.99 0.41 1 156 ASN 2.90 -1.77 1 158 GLU -2.66 1.19 1 159 LYS 0.97 -0.12 1 160 VAL 1.89 -1.74 1 161 GLU 3.11 -0.01 1 162 ASP -2.78 0.56 1 164 TYR 0.10 -0.80 1 165 ASP -4.32 1.99 1 166 TYR 4.14 0.43 1 167 GLU 3.94 -0.87 1 168 SER 3.64 0.18 1 169 TYR 4.30 -1.75 1 170 GLU 3.37 0.07 1 171 LYS 4.12 -0.58 1 172 LEU 0.17 1.00 1 173 LEU 1.40 0.37 1 174 LYS 4.03 -0.63 1 175 ASP 0.99 0.06 1 176 LYS -0.71 1.08 1 177 ILE -0.61 0.20 1 178 LYS 0.07 -0.26 1 179 LEU 0.42 1.29 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr16330_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.08 _LACS_plot.Line_1_terminator_val_y_1 -2.64 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.76 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.81 _LACS_plot.Line_2_terminator_val_x_2 8.73 _LACS_plot.Line_2_terminator_val_y_2 3.30 _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 20 ASP -4.07 1.77 0 50 GLN -4.26 -4.66 0 34 MET 8.73 0.12 0 179 LEU 0.42 4.67 0 154 PHE -7.08 -0.38 0 12 LYS -0.08 -0.65 1 14 LEU -3.51 -1.78 1 15 VAL -1.19 -2.60 1 16 VAL -4.07 -1.12 1 17 VAL -2.98 -2.41 1 18 TYR -2.15 0.32 1 21 TYR 5.31 0.09 1 22 LYS 1.90 -0.47 1 25 TYR 4.92 3.51 1 27 LYS 4.32 0.53 1 28 GLU 3.71 1.75 1 29 LEU 5.43 1.97 1 30 ASP 1.97 1.64 1 31 GLU 1.72 2.16 1 32 LYS 0.55 2.12 1 33 VAL 1.40 0.16 1 36 LYS 3.48 1.87 1 37 LEU 2.86 2.86 1 38 ARG 5.30 1.04 1 39 LYS 2.63 0.85 1 40 ASN 0.35 0.75 1 41 TYR -0.21 -0.76 1 42 ILE 2.74 3.50 1 43 ASP 4.23 0.05 1 44 ASN 0.62 0.15 1 45 HIS 3.80 0.64 1 46 LYS 1.24 0.21 1 47 VAL -6.38 -1.77 1 48 GLU -3.39 -2.69 1 49 TYR -6.14 -1.99 1 51 PHE -3.92 -0.45 1 52 VAL -0.56 -3.49 1 53 ASN -3.32 0.43 1 54 LEU 2.77 -0.45 1 55 ALA 1.77 -0.96 1 56 PHE -2.89 0.83 1 57 LEU 1.32 -1.48 1 59 LYS 3.65 0.02 1 60 ASP 2.43 1.39 1 61 SER 6.81 3.77 1 62 ILE 0.20 -1.52 1 63 VAL 6.62 2.04 1 65 SER 1.05 3.20 1 66 ARG 3.59 1.68 1 67 ALA 4.28 0.18 1 68 SER 3.00 1.94 1 69 HIS 4.09 3.86 1 70 ALA 2.99 1.07 1 71 VAL 6.53 0.74 1 72 LEU 4.38 0.06 1 73 MET 2.76 1.82 1 74 TYR 0.44 -0.40 1 75 ALA -1.73 -2.19 1 77 LYS 4.09 1.87 1 78 SER 0.65 -0.39 1 79 PHE 3.66 0.10 1 80 LEU 5.61 2.57 1 81 ASP 4.45 1.60 1 82 PHE 4.19 1.20 1 83 GLN 4.31 0.90 1 84 LYS 3.54 3.36 1 85 GLN 3.18 2.07 1 86 LEU 4.17 1.60 1 87 PHE 6.38 3.34 1 88 ALA 2.78 0.86 1 89 ALA -1.92 -2.23 1 90 GLN -0.49 -0.26 1 91 GLN -3.61 -2.35 1 92 ASP -0.13 0.13 1 93 GLU 2.51 0.05 1 94 ASN 1.04 0.28 1 95 LYS -2.31 0.33 1 96 GLU 0.95 -0.94 1 97 TRP -2.07 0.71 1 98 LEU 1.99 -2.80 1 99 THR -4.76 0.51 1 100 LYS 3.60 1.09 1 101 GLU 4.41 2.79 1 102 LEU 3.83 1.44 1 103 LEU 5.25 1.31 1 104 ASP 5.57 2.48 1 105 LYS 5.00 2.82 1 106 HIS 5.74 4.59 1 107 ILE 5.02 3.17 1 108 LYS 4.52 2.78 1 109 GLN 2.35 -0.15 1 110 LEU 1.32 -0.88 1 111 HIS 4.18 0.53 1 112 LEU -2.14 -0.17 1 113 ASP -0.29 0.09 1 114 LYS 3.84 1.76 1 115 GLU 3.79 2.85 1 117 GLU 2.67 0.56 1 118 ASN 3.36 2.59 1 119 LYS 4.64 2.13 1 120 ILE 5.16 0.43 1 121 ILE 4.97 -0.18 1 122 LYS 2.92 3.86 1 123 ASP 1.57 4.31 1 124 TYR 3.71 -0.59 1 125 LYS -0.92 0.25 1 126 THR 1.09 -3.27 1 129 SER -2.06 -0.03 1 130 LYS 5.12 4.03 1 132 TRP 5.62 4.35 1 133 LYS 3.95 3.09 1 134 ALA 4.11 1.64 1 135 ALA 2.60 3.26 1 136 GLU 2.84 2.79 1 137 LYS 4.63 1.71 1 138 ASP 2.24 1.64 1 139 LYS 5.18 2.94 1 140 LYS 3.67 1.00 1 141 ILE 5.01 2.96 1 142 ALA 3.60 0.87 1 143 LYS 4.01 4.38 1 144 ASP 3.89 0.81 1 145 ASN -0.18 -2.20 1 146 HIS 3.77 -0.06 1 147 ILE 1.71 -0.68 1 149 THR -2.65 -2.26 1 150 THR -3.21 -1.16 1 152 THR -0.36 -3.08 1 153 ALA -6.13 -2.94 1 155 ILE -0.99 -0.11 1 156 ASN 2.90 0.26 1 158 GLU -2.66 -1.57 1 159 LYS 0.97 -0.48 1 160 VAL 1.89 0.11 1 161 GLU 3.11 -0.15 1 162 ASP -2.78 -0.47 1 164 TYR 0.10 -1.91 1 165 ASP -4.32 0.40 1 166 TYR 4.14 1.11 1 167 GLU 3.94 1.97 1 168 SER 3.64 1.74 1 169 TYR 4.30 1.81 1 170 GLU 3.37 1.39 1 171 LYS 4.12 1.65 1 172 LEU 0.17 0.57 1 173 LEU 1.40 1.09 1 174 LYS 4.03 0.82 1 175 ASP 0.99 0.44 1 176 LYS -0.71 -0.02 1 177 ILE -0.61 -1.24 1 178 LYS 0.07 -1.31 1 stop_ save_