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 bmr16690_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 -3.10 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.82 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.12 _LACS_plot.Line_2_terminator_val_x_2 8.24 _LACS_plot.Line_2_terminator_val_y_2 5.92 _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 61 TYR 5.77 0.36 0 11 LEU 1.36 0.54 1 14 ASN 4.13 2.97 1 15 TRP -2.70 -0.60 1 16 THR -3.79 -2.95 1 17 ILE -3.44 -1.24 1 18 ARG -7.26 -4.16 1 19 VAL -2.07 -0.57 1 20 SER -1.11 -1.72 1 23 HIS -0.07 1.52 1 24 ASN 2.44 0.67 1 25 LYS -3.65 -0.08 1 26 GLU 0.51 -0.47 1 27 TYR -2.18 -2.71 1 28 PHE -2.51 -1.14 1 29 LEU -6.75 -2.03 1 30 ASN -0.16 -2.20 1 31 GLN 1.84 3.55 1 32 SER 0.78 1.45 1 33 THR -1.83 -1.05 1 34 ASN 3.26 2.05 1 35 GLU -1.27 0.00 1 36 SER -4.39 -1.85 1 37 SER -3.71 -1.69 1 38 TRP 1.16 1.37 1 39 ASP -1.57 -0.97 1 42 TYR 3.53 2.45 1 44 THR 2.93 2.71 1 45 ASP 0.51 -1.01 1 46 LYS 4.69 3.55 1 47 GLU 3.78 2.79 1 48 VAL 4.39 4.09 1 49 LEU 4.22 2.91 1 50 ASN 4.55 3.01 1 51 ALA 3.58 2.47 1 52 TYR 4.33 4.27 1 53 ILE 4.80 2.41 1 54 ALA 4.15 2.99 1 55 LYS 3.15 3.16 1 56 PHE 1.49 1.97 1 57 LYS 4.27 3.17 1 58 ASN 1.68 1.51 1 59 ASN -1.97 -0.91 1 62 LYS -1.82 -1.87 1 64 LEU 0.97 0.00 1 65 VAL -3.60 -1.94 1 66 ASN 0.30 -0.78 1 67 GLU 3.90 2.79 1 68 ASP -0.30 -0.43 1 70 GLN -4.19 -0.70 1 71 VAL -5.30 -2.95 1 72 ARG -3.14 -2.32 1 73 VAL -6.91 -3.93 1 74 SER -3.75 -1.72 1 75 HIS -3.40 -0.06 1 76 LEU -5.75 -2.82 1 77 LEU -0.36 -2.79 1 78 ILE -2.58 0.71 1 79 LYS -2.63 -0.45 1 80 ASN 3.96 1.94 1 81 ASN -0.39 -0.62 1 82 GLN 3.13 3.38 1 83 SER 4.51 2.49 1 84 ARG -1.58 -1.03 1 85 LYS -1.56 0.36 1 87 LYS -5.70 -0.90 1 88 SER 3.56 0.88 1 89 TRP 2.33 -1.04 1 90 LYS -0.19 -0.42 1 93 ASP -1.64 -0.45 1 95 ILE -1.56 -0.83 1 96 SER -0.51 -0.31 1 97 ARG -2.64 -1.05 1 98 THR 4.99 3.41 1 99 ARG 4.87 3.80 1 100 ASP 3.30 3.05 1 101 GLU 4.33 3.58 1 102 SER 5.82 5.18 1 103 ILE 5.05 3.58 1 104 GLN 3.30 3.70 1 105 ILE 2.78 2.31 1 106 LEU 4.73 4.14 1 107 LYS 4.53 2.19 1 108 LYS 1.71 3.16 1 109 HIS 4.13 3.17 1 110 LEU 3.28 3.03 1 111 GLU 3.87 3.63 1 112 ARG 2.18 2.47 1 113 ILE 4.12 2.68 1 114 LEU 1.26 1.42 1 115 SER 1.87 2.29 1 117 GLU -5.73 -3.31 1 118 VAL -1.65 -1.15 1 119 LYS 6.96 5.65 1 120 LEU 3.68 2.40 1 121 SER 1.82 1.68 1 122 GLU 0.99 1.45 1 123 LEU 4.68 2.61 1 124 ALA 2.50 3.31 1 125 ASN 0.64 0.38 1 126 THR -1.80 -1.06 1 127 GLU -4.21 -1.78 1 128 SER -0.42 2.66 1 129 ASP 2.65 2.40 1 132 SER 7.34 4.34 1 133 HIS 2.33 0.33 1 134 ASP -0.43 -1.97 1 135 ARG -1.94 -1.35 1 139 LEU 0.15 0.63 1 141 PHE -3.34 -1.56 1 142 PHE -3.83 -1.35 1 143 SER 3.74 2.70 1 144 LYS 0.14 2.27 1 146 GLN -3.23 -3.16 1 147 MET 1.58 1.51 1 148 GLN 2.05 3.03 1 151 PHE 2.95 3.75 1 152 GLU 2.86 2.30 1 153 GLU 1.86 1.77 1 154 ALA 2.69 3.05 1 155 ALA 4.26 2.92 1 156 PHE -1.11 -0.35 1 157 ASN -3.12 -1.39 1 158 LEU -1.36 0.89 1 159 HIS 8.24 5.59 1 160 VAL -2.17 0.01 1 162 GLU -2.04 -1.45 1 163 VAL -0.54 1.01 1 164 SER -1.16 -0.90 1 165 ASN 3.63 2.42 1 166 ILE -4.81 -3.12 1 167 ILE -4.08 -1.50 1 168 GLU -3.71 -1.20 1 169 THR 3.26 2.00 1 170 ASN 3.46 3.23 1 171 SER -3.18 -2.95 1 173 VAL -5.79 -1.24 1 174 HIS -2.17 0.93 1 175 ILE -4.22 -0.46 1 176 LEU -4.27 -1.54 1 177 GLN 2.49 1.10 1 178 ARG -0.42 -0.65 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr16690_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 4.16 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.18 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.88 _LACS_plot.Line_2_terminator_val_x_2 8.24 _LACS_plot.Line_2_terminator_val_y_2 -2.32 _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 61 TYR 5.77 -5.41 0 11 LEU 1.36 -0.82 1 14 ASN 4.13 -1.16 1 15 TRP -2.70 2.10 1 16 THR -3.79 0.84 1 17 ILE -3.44 2.20 1 18 ARG -7.26 3.10 1 19 VAL -2.07 1.50 1 20 SER -1.11 -0.61 1 23 HIS -0.07 1.59 1 24 ASN 2.44 -1.77 1 25 LYS -3.65 3.57 1 26 GLU 0.51 -0.98 1 27 TYR -2.18 -0.53 1 28 PHE -2.51 1.37 1 29 LEU -6.75 4.72 1 30 ASN -0.16 -2.04 1 31 GLN 1.84 1.71 1 32 SER 0.78 0.67 1 33 THR -1.83 0.78 1 34 ASN 3.26 -1.21 1 35 GLU -1.27 1.27 1 36 SER -4.39 2.54 1 37 SER -3.71 2.02 1 38 TRP 1.16 0.21 1 39 ASP -1.57 0.60 1 42 TYR 3.53 -1.08 1 44 THR 2.93 -0.22 1 45 ASP 0.51 -1.52 1 46 LYS 4.69 -1.14 1 47 GLU 3.78 -0.99 1 48 VAL 4.39 -0.30 1 49 LEU 4.22 -1.31 1 50 ASN 4.55 -1.54 1 51 ALA 3.58 -1.11 1 52 TYR 4.33 -0.06 1 53 ILE 4.80 -2.39 1 54 ALA 4.15 -1.16 1 55 LYS 3.15 0.01 1 56 PHE 1.49 0.48 1 57 LYS 4.27 -1.10 1 58 ASN 1.68 -0.17 1 59 ASN -1.97 1.06 1 62 LYS -1.82 -0.05 1 64 LEU 0.97 -0.97 1 65 VAL -3.60 1.66 1 66 ASN 0.30 -1.08 1 67 GLU 3.90 -1.11 1 68 ASP -0.30 -0.13 1 70 GLN -4.19 3.49 1 71 VAL -5.30 2.35 1 72 ARG -3.14 0.82 1 73 VAL -6.91 2.98 1 74 SER -3.75 2.03 1 75 HIS -3.40 3.34 1 76 LEU -5.75 2.93 1 77 LEU -0.36 -2.43 1 78 ILE -2.58 3.29 1 79 LYS -2.63 2.18 1 80 ASN 3.96 -2.02 1 81 ASN -0.39 -0.23 1 82 GLN 3.13 0.25 1 83 SER 4.51 -2.02 1 84 ARG -1.58 0.55 1 85 LYS -1.56 1.92 1 87 LYS -5.70 4.80 1 88 SER 3.56 -2.68 1 89 TRP 2.33 -3.37 1 90 LYS -0.19 -0.23 1 93 ASP -1.64 1.19 1 95 ILE -1.56 0.73 1 96 SER -0.51 0.20 1 97 ARG -2.64 1.59 1 98 THR 4.99 -1.58 1 99 ARG 4.87 -1.07 1 100 ASP 3.30 -0.25 1 101 GLU 4.33 -0.75 1 102 SER 5.82 -0.64 1 103 ILE 5.05 -1.47 1 104 GLN 3.30 0.40 1 105 ILE 2.78 -0.47 1 106 LEU 4.73 -0.59 1 107 LYS 4.53 -2.34 1 108 LYS 1.71 1.45 1 109 HIS 4.13 -0.96 1 110 LEU 3.28 -0.25 1 111 GLU 3.87 -0.24 1 112 ARG 2.18 0.29 1 113 ILE 4.12 -1.44 1 114 LEU 1.26 0.16 1 115 SER 1.87 0.42 1 117 GLU -5.73 2.42 1 118 VAL -1.65 0.50 1 119 LYS 6.96 -1.31 1 120 LEU 3.68 -1.28 1 121 SER 1.82 -0.14 1 122 GLU 0.99 0.46 1 123 LEU 4.68 -2.07 1 124 ALA 2.50 0.81 1 125 ASN 0.64 -0.26 1 126 THR -1.80 0.74 1 127 GLU -4.21 2.43 1 128 SER -0.42 3.08 1 129 ASP 2.65 -0.25 1 132 SER 7.34 -3.00 1 133 HIS 2.33 -2.00 1 134 ASP -0.43 -1.54 1 135 ARG -1.94 0.59 1 139 LEU 0.15 0.48 1 141 PHE -3.34 1.78 1 142 PHE -3.83 2.48 1 143 SER 3.74 -1.04 1 144 LYS 0.14 2.13 1 146 GLN -3.23 0.07 1 147 MET 1.58 -0.07 1 148 GLN 2.05 0.98 1 151 PHE 2.95 0.80 1 152 GLU 2.86 -0.56 1 153 GLU 1.86 -0.09 1 154 ALA 2.69 0.36 1 155 ALA 4.26 -1.34 1 156 PHE -1.11 0.76 1 157 ASN -3.12 1.73 1 158 LEU -1.36 2.25 1 159 HIS 8.24 -2.65 1 160 VAL -2.17 2.18 1 162 GLU -2.04 0.59 1 163 VAL -0.54 1.55 1 164 SER -1.16 0.26 1 165 ASN 3.63 -1.21 1 166 ILE -4.81 1.69 1 167 ILE -4.08 2.58 1 168 GLU -3.71 2.51 1 169 THR 3.26 -1.26 1 170 ASN 3.46 -0.23 1 171 SER -3.18 0.23 1 173 VAL -5.79 4.55 1 174 HIS -2.17 3.10 1 175 ILE -4.22 3.76 1 176 LEU -4.27 2.73 1 177 GLN 2.49 -1.39 1 178 ARG -0.42 -0.23 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr16690_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 -2.43 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.66 _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 8.24 _LACS_plot.Line_2_terminator_val_y_2 2.39 _LACS_plot.Y_axis_chem_shift_offset 0.01 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 173 VAL -5.79 3.12 0 11 LEU 1.36 -1.42 1 14 ASN 4.13 -1.48 1 15 TRP -2.70 -0.28 1 16 THR -3.79 -2.98 1 17 ILE -3.44 -2.00 1 18 ARG -7.26 -2.86 1 19 VAL -2.07 -0.18 1 23 HIS -0.07 0.11 1 24 ASN 2.44 -1.71 1 25 LYS -3.65 -2.60 1 26 GLU 0.51 -3.28 1 27 TYR -2.18 -5.37 1 28 PHE -2.51 -2.01 1 29 LEU -6.75 -3.77 1 30 ASN -0.16 0.88 1 31 GLN 1.84 0.10 1 32 SER 0.78 1.51 1 33 THR -1.83 1.40 1 34 ASN 3.26 -1.21 1 35 GLU -1.27 -2.29 1 36 SER -4.39 -0.35 1 37 SER -3.71 0.02 1 38 TRP 1.16 0.04 1 39 ASP -1.57 -1.82 1 42 TYR 3.53 -0.13 1 44 THR 2.93 -0.88 1 45 ASP 0.51 -1.10 1 46 LYS 4.69 1.11 1 47 GLU 3.78 3.39 1 48 VAL 4.39 2.58 1 49 LEU 4.22 1.35 1 50 ASN 4.55 4.04 1 51 ALA 3.58 1.45 1 52 TYR 4.33 2.30 1 53 ILE 4.80 1.26 1 54 ALA 4.15 2.81 1 55 LYS 3.15 2.30 1 56 PHE 1.49 1.85 1 57 LYS 4.27 2.09 1 58 ASN 1.68 -0.36 1 59 ASN -1.97 1.22 1 61 TYR 5.77 -1.54 1 64 LEU 0.97 -0.95 1 65 VAL -3.60 -1.39 1 66 ASN 0.30 1.62 1 67 GLU 3.90 0.18 1 68 ASP -0.30 0.19 1 70 GLN -4.19 -0.94 1 71 VAL -5.30 -4.95 1 72 ARG -3.14 -0.05 1 73 VAL -6.91 -1.98 1 74 SER -3.75 -1.56 1 75 HIS -3.40 -4.92 1 76 LEU -5.75 -3.64 1 77 LEU -0.36 -0.46 1 78 ILE -2.58 -1.43 1 79 LYS -2.63 -0.49 1 80 ASN 3.96 1.11 1 81 ASN -0.39 0.30 1 82 GLN 3.13 -0.97 1 83 SER 4.51 0.26 1 84 ARG -1.58 -0.50 1 85 LYS -1.56 -3.34 1 87 LYS -5.70 0.14 1 88 SER 3.56 -0.45 1 89 TRP 2.33 -0.95 1 90 LYS -0.19 -0.30 1 93 ASP -1.64 -1.90 1 95 ILE -1.56 0.05 1 96 SER -0.51 -2.07 1 97 ARG -2.64 1.34 1 98 THR 4.99 3.77 1 99 ARG 4.87 2.47 1 100 ASP 3.30 2.78 1 101 GLU 4.33 -0.06 1 102 SER 5.82 0.38 1 103 ILE 5.05 3.49 1 104 GLN 3.30 1.32 1 105 ILE 2.78 0.65 1 106 LEU 4.73 2.71 1 107 LYS 4.53 2.73 1 108 LYS 1.71 3.87 1 109 HIS 4.13 0.14 1 110 LEU 3.28 3.11 1 111 GLU 3.87 2.38 1 112 ARG 2.18 4.37 1 113 ILE 4.12 1.10 1 114 LEU 1.26 1.09 1 115 SER 1.87 -0.67 1 117 GLU -5.73 -2.75 1 118 VAL -1.65 0.96 1 119 LYS 6.96 1.02 1 120 LEU 3.68 1.30 1 121 SER 1.82 2.69 1 122 GLU 0.99 1.00 1 123 LEU 4.68 0.64 1 124 ALA 2.50 1.92 1 125 ASN 0.64 1.39 1 126 THR -1.80 -0.43 1 127 GLU -4.21 1.22 1 128 SER -0.42 -1.86 1 129 ASP 2.65 2.98 1 132 SER 7.34 -0.04 1 133 HIS 2.33 -0.09 1 134 ASP -0.43 1.67 1 135 ARG -1.94 0.84 1 139 LEU 0.15 2.48 1 141 PHE -3.34 -2.88 1 142 PHE -3.83 0.94 1 143 SER 3.74 1.07 1 144 LYS 0.14 0.45 1 146 GLN -3.23 -0.84 1 147 MET 1.58 4.27 1 148 GLN 2.05 0.18 1 151 PHE 2.95 0.61 1 152 GLU 2.86 1.79 1 153 GLU 1.86 2.15 1 154 ALA 2.69 0.10 1 155 ALA 4.26 -0.44 1 156 PHE -1.11 -0.64 1 157 ASN -3.12 -1.30 1 158 LEU -1.36 2.22 1 159 HIS 8.24 0.55 1 160 VAL -2.17 -2.32 1 162 GLU -2.04 0.88 1 163 VAL -0.54 -2.19 1 164 SER -1.16 0.26 1 165 ASN 3.63 -0.03 1 166 ILE -4.81 -2.16 1 167 ILE -4.08 -1.06 1 168 GLU -3.71 0.75 1 169 THR 3.26 1.70 1 170 ASN 3.46 0.18 1 171 SER -3.18 -1.81 1 174 HIS -2.17 -2.22 1 175 ILE -4.22 -2.60 1 176 LEU -4.27 -0.45 1 177 GLN 2.49 0.02 1 178 ARG -0.42 0.24 1 stop_ save_