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 bmr18941_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -9.71 _LACS_plot.Line_1_terminator_val_y_1 -2.82 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.48 _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 8.45 _LACS_plot.Line_2_terminator_val_y_2 6.49 _LACS_plot.Y_axis_chem_shift_offset -0.07 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 57 PHE -7.43 3.20 0 74 LYS 8.30 -1.67 0 10 PHE -6.25 -2.37 1 11 ASP -4.06 -0.50 1 13 SER 4.53 0.91 1 14 MET 1.67 1.83 1 15 SER 3.69 1.73 1 16 LEU -0.94 0.56 1 17 GLN 0.92 0.07 1 19 ASP 3.16 2.21 1 20 GLU 3.33 2.30 1 21 PHE 4.71 4.44 1 22 GLN 3.81 2.79 1 23 LYS 4.52 3.90 1 24 ILE 7.19 5.78 1 25 LEU 5.01 3.45 1 26 ASP 4.03 3.26 1 27 PHE 3.02 2.80 1 28 MET 3.86 4.07 1 29 LYS 5.02 4.73 1 30 ASP 3.16 3.45 1 31 VAL 6.34 4.68 1 32 MET 2.92 4.53 1 33 LYS 4.80 4.06 1 34 LYS 3.10 2.69 1 35 LEU 0.11 -1.26 1 37 ASN 1.31 0.30 1 39 SER 1.52 0.82 1 40 TYR -0.16 1.12 1 41 GLN -3.44 -0.28 1 42 PHE -6.23 -0.39 1 43 ALA -4.49 -1.76 1 44 ALA -6.38 -1.30 1 45 VAL -5.80 -2.18 1 46 GLN -3.13 -1.99 1 47 PHE -9.58 -3.29 1 48 SER 1.67 0.47 1 49 THR 4.82 3.57 1 50 SER -3.27 -3.37 1 51 TYR -3.46 -3.25 1 52 LYS -6.10 -0.90 1 53 THR 4.09 2.32 1 54 GLU 1.71 0.85 1 55 PHE 0.02 0.74 1 58 SER 3.86 2.76 1 59 ASP 2.52 3.40 1 60 TYR 4.34 4.59 1 61 VAL 4.98 4.14 1 62 LYS 2.40 2.86 1 63 ARG -0.06 0.82 1 64 LYS 3.59 1.60 1 67 ASP 3.73 2.95 1 68 ALA 2.35 1.83 1 69 LEU 2.57 2.26 1 70 LEU -1.01 -1.33 1 71 LYS 3.01 3.00 1 72 HIS -0.87 0.60 1 73 VAL 2.86 2.24 1 75 HIS -3.33 0.10 1 76 MET 2.07 5.63 1 77 LEU 3.62 0.69 1 78 LEU -0.74 0.13 1 79 LEU 2.81 -0.01 1 80 THR -1.50 -1.32 1 81 ASN 2.17 -0.13 1 82 THR 6.09 4.87 1 83 PHE 8.46 6.96 1 85 ALA 0.07 1.83 1 86 ILE 6.20 5.28 1 87 ASN 4.38 4.96 1 88 TYR 4.06 3.58 1 89 VAL 5.83 4.38 1 90 ALA 3.44 3.03 1 91 THR 0.98 1.45 1 92 GLU -9.27 -0.72 1 93 VAL 2.88 2.31 1 94 PHE 3.51 1.24 1 95 ARG -4.45 -1.90 1 96 GLU 3.09 2.96 1 97 GLU 4.26 2.93 1 98 LEU -0.34 -0.70 1 100 ALA 0.50 0.12 1 101 ARG -1.00 -0.55 1 103 ASP -0.08 -0.91 1 104 ALA -2.24 -0.69 1 105 THR 2.70 2.49 1 106 LYS -1.12 0.01 1 107 VAL -4.02 -1.18 1 108 LEU -7.81 -1.96 1 109 ILE -0.80 -0.48 1 110 ILE -0.96 -0.49 1 111 ILE -2.52 -0.09 1 112 THR -3.52 -1.95 1 113 ASP -5.48 -2.30 1 115 GLU -9.71 -0.01 1 116 ALA -1.26 0.37 1 117 THR -0.69 -0.53 1 118 ASP -2.12 -2.23 1 119 SER -2.05 -1.10 1 121 ASN -4.04 -0.65 1 122 ILE -0.59 -0.53 1 123 ASP 5.33 4.13 1 124 ALA 2.38 1.50 1 125 ALA -3.16 -2.22 1 126 LYS 4.30 3.64 1 127 ASP 1.31 0.45 1 128 ILE -1.57 -0.29 1 129 ILE -1.72 -2.68 1 130 ARG 2.23 3.13 1 131 TYR -4.46 -0.76 1 132 ILE -4.86 -2.28 1 133 ILE -2.57 -1.90 1 135 ILE -4.36 -1.22 1 137 LYS 3.55 2.67 1 138 HIS 3.80 3.70 1 139 PHE 0.38 -0.26 1 140 GLN 2.61 2.92 1 141 THR -3.23 -1.80 1 142 LYS 4.32 3.43 1 143 GLU 5.83 4.51 1 144 SER 3.72 2.98 1 145 GLN 5.81 3.74 1 146 GLU 3.15 2.01 1 147 THR 4.36 3.76 1 148 LEU 1.34 0.40 1 149 HIS 2.13 3.84 1 150 LYS -4.74 1.51 1 151 PHE -0.53 -0.36 1 152 ALA -4.61 -0.72 1 154 LYS -1.16 -0.67 1 156 ALA 5.17 3.12 1 157 SER 4.03 2.36 1 158 GLU -0.84 0.40 1 159 PHE 0.63 2.07 1 160 VAL -0.12 -0.91 1 161 LYS -3.88 -3.04 1 162 ILE -1.50 -4.01 1 163 LEU -7.48 -2.57 1 164 ASP 2.76 1.49 1 165 THR -4.58 -3.14 1 166 PHE 4.11 3.95 1 167 GLU 3.50 2.76 1 168 LYS 0.70 1.08 1 169 LEU 3.42 2.68 1 170 LYS 3.69 2.71 1 171 ASP 0.14 0.89 1 172 LEU 1.57 2.04 1 173 PHE 6.10 5.09 1 174 THR 1.54 0.56 1 175 GLU 0.72 0.84 1 176 LEU 2.41 2.06 1 177 GLN 3.71 2.50 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18941_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -9.71 _LACS_plot.Line_1_terminator_val_y_1 6.89 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.52 _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 8.45 _LACS_plot.Line_2_terminator_val_y_2 -1.96 _LACS_plot.Y_axis_chem_shift_offset -0.07 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 57 PHE -7.43 10.63 0 74 LYS 8.30 -9.97 0 10 PHE -6.25 3.88 1 11 ASP -4.06 3.56 1 13 SER 4.53 -3.62 1 14 MET 1.67 0.16 1 15 SER 3.69 -1.96 1 16 LEU -0.94 1.50 1 17 GLN 0.92 -0.85 1 19 ASP 3.16 -0.95 1 20 GLU 3.33 -1.03 1 21 PHE 4.71 -0.27 1 22 GLN 3.81 -1.02 1 23 LYS 4.52 -0.62 1 24 ILE 7.19 -1.41 1 25 LEU 5.01 -1.56 1 26 ASP 4.03 -0.77 1 27 PHE 3.02 -0.22 1 28 MET 3.86 0.21 1 29 LYS 5.02 -0.29 1 30 ASP 3.16 0.29 1 31 VAL 6.34 -1.66 1 32 MET 2.92 1.61 1 33 LYS 4.80 -0.74 1 34 LYS 3.10 -0.41 1 35 LEU 0.11 -1.37 1 37 ASN 1.31 -1.01 1 39 SER 1.52 -0.70 1 40 TYR -0.16 1.28 1 41 GLN -3.44 3.16 1 42 PHE -6.23 5.84 1 43 ALA -4.49 2.73 1 44 ALA -6.38 5.08 1 45 VAL -5.80 3.62 1 46 GLN -3.13 1.14 1 47 PHE -9.58 6.29 1 48 SER 1.67 -1.20 1 49 THR 4.82 -1.25 1 50 SER -3.27 -0.10 1 51 TYR -3.46 0.21 1 52 LYS -6.10 5.20 1 53 THR 4.09 -1.77 1 54 GLU 1.71 -0.86 1 55 PHE 0.02 0.72 1 58 SER 3.86 -1.10 1 59 ASP 2.52 0.88 1 60 TYR 4.34 0.25 1 61 VAL 4.98 -0.84 1 62 LYS 2.40 0.46 1 63 ARG -0.06 0.88 1 64 LYS 3.59 -1.99 1 67 ASP 3.73 -0.78 1 68 ALA 2.35 -0.52 1 69 LEU 2.57 -0.31 1 70 LEU -1.01 -0.32 1 71 LYS 3.01 -0.01 1 72 HIS -0.87 1.47 1 73 VAL 2.86 -0.62 1 75 HIS -3.33 3.43 1 76 MET 2.07 3.56 1 77 LEU 3.62 -2.93 1 78 LEU -0.74 0.87 1 79 LEU 2.81 -2.82 1 80 THR -1.50 0.18 1 81 ASN 2.17 -2.30 1 82 THR 6.09 -1.22 1 83 PHE 8.46 -1.50 1 85 ALA 0.07 1.76 1 86 ILE 6.20 -0.92 1 87 ASN 4.38 0.58 1 88 TYR 4.06 -0.48 1 89 VAL 5.83 -1.45 1 90 ALA 3.44 -0.41 1 91 THR 0.98 0.47 1 92 GLU -9.27 8.55 1 93 VAL 2.88 -0.57 1 94 PHE 3.51 -2.27 1 95 ARG -4.45 2.55 1 96 GLU 3.09 -0.13 1 97 GLU 4.26 -1.33 1 98 LEU -0.34 -0.36 1 100 ALA 0.50 -0.38 1 101 ARG -1.00 0.45 1 103 ASP -0.08 -0.83 1 104 ALA -2.24 1.55 1 105 THR 2.70 -0.21 1 106 LYS -1.12 1.13 1 107 VAL -4.02 2.84 1 108 LEU -7.81 5.85 1 109 ILE -0.80 0.32 1 110 ILE -0.96 0.47 1 111 ILE -2.52 2.43 1 112 THR -3.52 1.57 1 113 ASP -5.48 3.18 1 115 GLU -9.71 9.70 1 116 ALA -1.26 1.63 1 117 THR -0.69 0.16 1 118 ASP -2.12 -0.11 1 119 SER -2.05 0.95 1 121 ASN -4.04 3.39 1 122 ILE -0.59 0.06 1 123 ASP 5.33 -1.20 1 124 ALA 2.38 -0.88 1 125 ALA -3.16 0.94 1 126 LYS 4.30 -0.66 1 127 ASP 1.31 -0.86 1 128 ILE -1.57 1.28 1 129 ILE -1.72 -0.96 1 130 ARG 2.23 0.90 1 131 TYR -4.46 3.70 1 132 ILE -4.86 2.58 1 133 ILE -2.57 0.67 1 135 ILE -4.36 3.14 1 137 LYS 3.55 -0.88 1 138 HIS 3.80 -0.10 1 139 PHE 0.38 -0.64 1 140 GLN 2.61 0.31 1 141 THR -3.23 1.43 1 142 LYS 4.32 -0.89 1 143 GLU 5.83 -1.32 1 144 SER 3.72 -0.74 1 145 GLN 5.81 -2.07 1 146 GLU 3.15 -1.14 1 147 THR 4.36 -0.60 1 148 LEU 1.34 -0.94 1 149 HIS 2.13 1.71 1 150 LYS -4.74 6.25 1 151 PHE -0.53 0.17 1 152 ALA -4.61 3.89 1 154 LYS -1.16 0.49 1 156 ALA 5.17 -2.05 1 157 SER 4.03 -1.67 1 158 GLU -0.84 1.24 1 159 PHE 0.63 1.44 1 160 VAL -0.12 -0.79 1 161 LYS -3.88 0.84 1 162 ILE -1.50 -2.51 1 163 LEU -7.48 4.91 1 164 ASP 2.76 -1.27 1 165 THR -4.58 1.44 1 166 PHE 4.11 -0.16 1 167 GLU 3.50 -0.74 1 168 LYS 0.70 0.38 1 169 LEU 3.42 -0.74 1 170 LYS 3.69 -0.98 1 171 ASP 0.14 0.75 1 172 LEU 1.57 0.47 1 173 PHE 6.10 -1.01 1 174 THR 1.54 -0.98 1 175 GLU 0.72 0.12 1 176 LEU 2.41 -0.35 1 177 GLN 3.71 -1.21 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18941_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -9.71 _LACS_plot.Line_1_terminator_val_y_1 0.94 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.15 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.22 _LACS_plot.Line_2_terminator_val_x_2 8.30 _LACS_plot.Line_2_terminator_val_y_2 -0.77 _LACS_plot.Y_axis_chem_shift_offset -0.03 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 85 ALA 0.07 -1.50 0 115 GLU -9.71 0.01 0 77 LEU 3.62 1.34 0 10 PHE -6.25 1.27 1 15 SER 3.69 -0.28 1 16 LEU -0.94 0.04 1 17 GLN 0.92 -0.10 1 19 ASP 3.16 -0.27 1 20 GLU 3.33 -1.09 1 21 PHE 4.71 -0.67 1 22 GLN 3.81 -0.69 1 23 LYS 4.52 -0.28 1 24 ILE 7.19 -0.68 1 25 LEU 5.01 -0.88 1 26 ASP 4.03 -0.55 1 27 PHE 3.02 -0.26 1 31 VAL 6.34 -1.22 1 34 LYS 3.10 -0.32 1 41 GLN -3.44 0.10 1 42 PHE -6.23 1.66 1 43 ALA -4.49 -0.41 1 44 ALA -6.38 1.35 1 45 VAL -5.80 0.86 1 46 GLN -3.13 -0.39 1 47 PHE -9.58 1.04 1 49 THR 4.82 0.09 1 50 SER -3.27 -1.01 1 51 TYR -3.46 0.64 1 52 LYS -6.10 0.23 1 53 THR 4.09 0.04 1 54 GLU 1.71 0.70 1 55 PHE 0.02 0.29 1 58 SER 3.86 -0.15 1 59 ASP 2.52 -0.08 1 60 TYR 4.34 -0.48 1 61 VAL 4.98 -0.65 1 62 LYS 2.40 -0.19 1 63 ARG -0.06 -0.04 1 64 LYS 3.59 -0.80 1 67 ASP 3.73 -0.56 1 68 ALA 2.35 -0.31 1 70 LEU -1.01 0.37 1 71 LYS 3.01 -0.40 1 72 HIS -0.87 0.03 1 73 VAL 2.86 -0.41 1 74 LYS 8.30 0.39 1 78 LEU -0.74 0.55 1 79 LEU 2.81 0.23 1 80 THR -1.50 0.01 1 81 ASN 2.17 0.54 1 87 ASN 4.38 -0.53 1 88 TYR 4.06 -0.56 1 90 ALA 3.44 -0.15 1 91 THR 0.98 0.05 1 92 GLU -9.27 0.12 1 93 VAL 2.88 0.03 1 94 PHE 3.51 0.00 1 95 ARG -4.45 0.37 1 98 LEU -0.34 0.37 1 100 ALA 0.50 -0.88 1 101 ARG -1.00 -0.02 1 103 ASP -0.08 -0.11 1 104 ALA -2.24 -0.15 1 105 THR 2.70 -0.32 1 107 VAL -4.02 0.87 1 108 LEU -7.81 1.12 1 109 ILE -0.80 0.92 1 110 ILE -0.96 1.32 1 111 ILE -2.52 1.02 1 112 THR -3.52 1.31 1 116 ALA -1.26 0.92 1 117 THR -0.69 0.20 1 118 ASP -2.12 0.31 1 119 SER -2.05 -0.54 1 121 ASN -4.04 0.31 1 123 ASP 5.33 -0.39 1 124 ALA 2.38 -0.16 1 125 ALA -3.16 0.14 1 127 ASP 1.31 0.01 1 128 ILE -1.57 -0.38 1 129 ILE -1.72 -0.46 1 133 ILE -2.57 0.80 1 135 ILE -4.36 0.80 1 138 HIS 3.80 -0.37 1 139 PHE 0.38 0.99 1 140 GLN 2.61 -0.18 1 141 THR -3.23 0.22 1 143 GLU 5.83 -0.35 1 144 SER 3.72 -0.14 1 145 GLN 5.81 -0.54 1 147 THR 4.36 -0.18 1 149 HIS 2.13 -0.62 1 150 LYS -4.74 -0.21 1 151 PHE -0.53 -0.11 1 152 ALA -4.61 -0.12 1 154 LYS -1.16 -0.03 1 157 SER 4.03 -0.44 1 158 GLU -0.84 -0.08 1 161 LYS -3.88 0.62 1 162 ILE -1.50 0.85 1 163 LEU -7.48 0.49 1 165 THR -4.58 0.46 1 166 PHE 4.11 -0.83 1 167 GLU 3.50 -0.09 1 168 LYS 0.70 -0.03 1 170 LYS 3.69 -0.05 1 175 GLU 0.72 -0.14 1 stop_ save_