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 bmr17935_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.13 _LACS_plot.Line_1_terminator_val_y_1 -2.96 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.92 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.33 _LACS_plot.Line_2_terminator_val_x_2 6.70 _LACS_plot.Line_2_terminator_val_y_2 5.19 _LACS_plot.Y_axis_chem_shift_offset -0.16 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 79 HIS 0.19 3.92 0 11 TYR -1.19 -1.74 1 12 VAL 6.70 5.48 1 13 HIS 4.19 4.99 1 14 ARG 4.96 2.17 1 15 ILE 5.87 5.30 1 16 HIS 3.04 4.25 1 17 ARG 4.06 3.55 1 18 SER 4.72 4.65 1 19 LEU 5.04 2.31 1 20 LYS 4.51 3.23 1 21 TYR 3.93 3.04 1 22 ILE 1.44 0.84 1 24 VAL -1.41 -0.38 1 25 SER 0.06 0.29 1 26 SER -4.71 -0.59 1 27 LYS -5.07 -1.34 1 28 ILE 0.18 0.00 1 29 VAL -2.68 -2.64 1 31 ASN 2.98 0.88 1 32 THR -0.28 -1.15 1 33 THR 1.58 2.85 1 35 LEU 3.92 3.08 1 36 GLU 3.82 2.89 1 37 GLU 2.10 1.88 1 38 ILE 4.44 4.52 1 39 GLU 2.34 2.30 1 40 SER 2.16 1.70 1 41 ASN -0.40 -1.14 1 42 LYS 2.90 0.97 1 43 GLU -0.26 0.18 1 44 VAL 3.18 1.42 1 45 LYS -2.28 -1.06 1 47 ILE -4.70 -0.92 1 48 ILE -4.60 -2.01 1 49 LEU -2.65 -2.31 1 50 SER -1.05 1.76 1 54 ASP -3.84 -1.17 1 55 ILE 3.82 3.56 1 56 GLU 2.95 1.92 1 57 LYS 0.76 0.12 1 58 ALA -3.53 -1.15 1 59 LYS 5.06 3.90 1 60 ASN 3.68 3.43 1 62 ILE 5.95 3.88 1 63 ASP 2.82 3.58 1 64 ILE 4.86 3.77 1 65 ALA 3.52 2.23 1 66 LEU 1.05 2.31 1 67 ASN -0.65 1.13 1 68 ALA 0.83 1.27 1 69 LYS 0.05 -0.70 1 70 LEU -4.27 -1.07 1 72 ILE -7.06 -1.92 1 73 LEU -1.66 -1.43 1 75 ILE -2.47 0.28 1 77 LEU 3.91 3.81 1 80 GLN 6.39 2.95 1 81 LEU 3.23 3.26 1 82 ILE 6.30 5.68 1 83 ALA 2.34 2.27 1 84 LEU 2.59 2.48 1 85 ALA 1.79 2.39 1 86 TYR 0.44 0.50 1 89 GLU -5.32 -1.80 1 90 VAL -4.75 -2.15 1 92 ARG -0.41 0.04 1 93 ALA -2.47 -1.81 1 94 GLU -0.36 0.80 1 95 ALA -1.04 -1.41 1 96 GLU 1.44 1.66 1 97 GLU 0.31 -0.12 1 98 TYR 0.84 1.26 1 99 ALA -5.13 -1.56 1 100 LEU 0.32 0.34 1 101 THR -2.03 0.00 1 102 LYS 2.91 0.69 1 103 VAL 0.61 -0.97 1 104 TYR -2.92 -2.75 1 105 VAL 2.14 1.53 1 106 ASP 0.30 2.19 1 107 LYS -2.91 -0.43 1 108 GLU 1.04 1.68 1 109 ASN -1.21 -1.94 1 110 ASP 5.93 4.41 1 111 LEU 2.27 1.60 1 112 PHE -0.84 -1.79 1 113 LYS 2.00 1.34 1 114 ASN 3.73 2.09 1 115 VAL -2.84 -1.07 1 117 ARG 2.52 1.44 1 118 GLU -4.82 -2.57 1 119 PHE -1.65 -1.04 1 121 ALA -8.13 -2.61 1 122 TRP -3.43 -1.12 1 123 ALA -5.95 -1.28 1 124 SER -2.88 -2.31 1 125 HIS 1.66 0.03 1 126 LYS 3.11 3.06 1 127 ASP -6.50 -2.19 1 128 GLU -5.30 -2.65 1 129 VAL 2.69 1.26 1 130 LYS -1.61 -0.72 1 131 LYS -3.20 -0.78 1 132 VAL 1.32 0.61 1 134 GLU 2.00 1.41 1 136 PHE -4.22 -1.50 1 137 GLU -6.71 -3.18 1 138 ILE 2.13 2.78 1 139 LEU -3.28 -0.51 1 140 ALA -3.72 -0.30 1 141 HIS -3.58 0.65 1 142 SER -5.05 -1.30 1 143 ASP 3.70 3.04 1 144 ILE -2.18 -1.25 1 146 GLN 3.16 3.37 1 147 VAL -1.06 -1.80 1 148 GLU 1.09 0.46 1 149 ALA -5.87 -0.78 1 150 MET -3.14 0.11 1 151 LYS -4.26 -1.19 1 152 HIS 0.20 2.55 1 153 LYS 4.10 4.42 1 154 THR -0.41 0.07 1 155 LYS -1.97 0.23 1 157 ILE -2.34 -0.43 1 158 TYR -6.33 -1.69 1 160 VAL -5.46 -4.40 1 161 GLN 2.05 1.06 1 162 PHE -6.44 -4.56 1 163 HIS -1.08 1.20 1 165 GLU 1.85 0.60 1 166 VAL -0.98 -1.42 1 167 ALA 2.88 1.78 1 168 HIS -1.24 1.19 1 169 THR 1.14 0.39 1 173 ASN 4.31 2.70 1 174 GLU 2.46 2.22 1 175 ILE 4.32 4.11 1 176 LEU 3.94 3.20 1 177 LYS 5.17 4.28 1 178 ASN 2.88 2.67 1 179 PHE 4.84 3.71 1 181 LYS 4.89 4.10 1 182 VAL 5.87 3.96 1 185 TYR 1.92 2.16 1 186 LYS -3.52 -1.78 1 187 PHE -1.01 0.04 1 188 GLU 0.37 1.35 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17935_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.13 _LACS_plot.Line_1_terminator_val_y_1 5.17 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.08 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.67 _LACS_plot.Line_2_terminator_val_x_2 6.70 _LACS_plot.Line_2_terminator_val_y_2 -1.51 _LACS_plot.Y_axis_chem_shift_offset -0.16 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 79 HIS 0.19 3.73 0 11 TYR -1.19 -0.55 1 12 VAL 6.70 -1.22 1 13 HIS 4.19 0.80 1 14 ARG 4.96 -2.79 1 15 ILE 5.87 -0.57 1 16 HIS 3.04 1.21 1 17 ARG 4.06 -0.51 1 18 SER 4.72 -0.07 1 19 LEU 5.04 -2.73 1 20 LYS 4.51 -1.28 1 21 TYR 3.93 -0.89 1 22 ILE 1.44 -0.60 1 24 VAL -1.41 1.03 1 25 SER 0.06 0.23 1 26 SER -4.71 4.12 1 27 LYS -5.07 3.73 1 28 ILE 0.18 -0.18 1 29 VAL -2.68 0.04 1 31 ASN 2.98 -2.10 1 32 THR -0.28 -0.87 1 33 THR 1.58 1.27 1 35 LEU 3.92 -0.84 1 36 GLU 3.82 -0.93 1 37 GLU 2.10 -0.22 1 38 ILE 4.44 0.08 1 39 GLU 2.34 -0.04 1 40 SER 2.16 -0.46 1 41 ASN -0.40 -0.74 1 42 LYS 2.90 -1.93 1 43 GLU -0.26 0.44 1 44 VAL 3.18 -1.76 1 45 LYS -2.28 1.22 1 47 ILE -4.70 3.78 1 48 ILE -4.60 2.59 1 49 LEU -2.65 0.34 1 50 SER -1.05 2.81 1 54 ASP -3.84 2.67 1 55 ILE 3.82 -0.26 1 56 GLU 2.95 -1.03 1 57 LYS 0.76 -0.64 1 58 ALA -3.53 2.38 1 59 LYS 5.06 -1.16 1 60 ASN 3.68 -0.25 1 62 ILE 5.95 -2.07 1 63 ASP 2.82 0.76 1 64 ILE 4.86 -1.09 1 65 ALA 3.52 -1.29 1 66 LEU 1.05 1.26 1 67 ASN -0.65 1.78 1 68 ALA 0.83 0.44 1 69 LYS 0.05 -0.75 1 70 LEU -4.27 3.20 1 72 ILE -7.06 5.14 1 73 LEU -1.66 0.23 1 75 ILE -2.47 2.75 1 77 LEU 3.91 -0.10 1 80 GLN 6.39 -3.44 1 81 LEU 3.23 0.03 1 82 ILE 6.30 -0.62 1 83 ALA 2.34 -0.07 1 84 LEU 2.59 -0.11 1 85 ALA 1.79 0.60 1 86 TYR 0.44 0.06 1 89 GLU -5.32 3.52 1 90 VAL -4.75 2.60 1 92 ARG -0.41 0.45 1 93 ALA -2.47 0.66 1 94 GLU -0.36 1.16 1 95 ALA -1.04 -0.37 1 96 GLU 1.44 0.22 1 97 GLU 0.31 -0.43 1 98 TYR 0.84 0.42 1 99 ALA -5.13 3.57 1 100 LEU 0.32 0.02 1 101 THR -2.03 2.03 1 102 LYS 2.91 -2.22 1 103 VAL 0.61 -1.58 1 104 TYR -2.92 0.17 1 105 VAL 2.14 -0.61 1 106 ASP 0.30 1.89 1 107 LYS -2.91 2.48 1 108 GLU 1.04 0.64 1 109 ASN -1.21 -0.73 1 110 ASP 5.93 -1.52 1 111 LEU 2.27 -0.67 1 112 PHE -0.84 -0.95 1 113 LYS 2.00 -0.66 1 114 ASN 3.73 -1.64 1 115 VAL -2.84 1.77 1 117 ARG 2.52 -1.08 1 118 GLU -4.82 2.25 1 119 PHE -1.65 0.61 1 121 ALA -8.13 5.52 1 122 TRP -3.43 2.31 1 123 ALA -5.95 4.67 1 124 SER -2.88 0.57 1 125 HIS 1.66 -1.63 1 126 LYS 3.11 -0.05 1 127 ASP -6.50 4.31 1 128 GLU -5.30 2.65 1 129 VAL 2.69 -1.43 1 130 LYS -1.61 0.89 1 131 LYS -3.20 2.42 1 132 VAL 1.32 -0.71 1 134 GLU 2.00 -0.59 1 136 PHE -4.22 2.72 1 137 GLU -6.71 3.53 1 138 ILE 2.13 0.65 1 139 LEU -3.28 2.77 1 140 ALA -3.72 3.42 1 141 HIS -3.58 4.23 1 142 SER -5.05 3.75 1 143 ASP 3.70 -0.66 1 144 ILE -2.18 0.93 1 146 GLN 3.16 0.21 1 147 VAL -1.06 -0.74 1 148 GLU 1.09 -0.63 1 149 ALA -5.87 5.09 1 150 MET -3.14 3.25 1 151 LYS -4.26 3.07 1 152 HIS 0.20 2.35 1 153 LYS 4.10 0.32 1 154 THR -0.41 0.48 1 155 LYS -1.97 2.20 1 157 ILE -2.34 1.91 1 158 TYR -6.33 4.64 1 160 VAL -5.46 1.06 1 161 GLN 2.05 -0.99 1 162 PHE -6.44 1.88 1 163 HIS -1.08 2.28 1 165 GLU 1.85 -1.25 1 166 VAL -0.98 -0.44 1 167 ALA 2.88 -1.10 1 168 HIS -1.24 2.43 1 169 THR 1.14 -0.75 1 173 ASN 4.31 -1.61 1 174 GLU 2.46 -0.24 1 175 ILE 4.32 -0.21 1 176 LEU 3.94 -0.74 1 177 LYS 5.17 -0.89 1 178 ASN 2.88 -0.21 1 179 PHE 4.84 -1.13 1 181 LYS 4.89 -0.79 1 182 VAL 5.87 -1.91 1 185 TYR 1.92 0.24 1 186 LYS -3.52 1.74 1 187 PHE -1.01 1.05 1 188 GLU 0.37 0.98 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17935_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -8.13 _LACS_plot.Line_1_terminator_val_y_1 0.82 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.22 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.19 _LACS_plot.Line_2_terminator_val_x_2 6.70 _LACS_plot.Line_2_terminator_val_y_2 -0.69 _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 139 LEU -3.28 -0.85 0 12 VAL 6.70 -0.57 1 14 ARG 4.96 -0.39 1 15 ILE 5.87 0.27 1 16 HIS 3.04 -0.55 1 18 SER 4.72 -0.25 1 19 LEU 5.04 -0.52 1 20 LYS 4.51 -0.57 1 21 TYR 3.93 -0.37 1 22 ILE 1.44 0.06 1 24 VAL -1.41 -0.31 1 25 SER 0.06 -0.08 1 26 SER -4.71 1.19 1 27 LYS -5.07 0.34 1 28 ILE 0.18 0.58 1 29 VAL -2.68 0.60 1 31 ASN 2.98 -0.54 1 32 THR -0.28 0.11 1 33 THR 1.58 -0.07 1 35 LEU 3.92 0.28 1 36 GLU 3.82 -0.27 1 37 GLU 2.10 -0.30 1 38 ILE 4.44 -0.46 1 39 GLU 2.34 -0.36 1 40 SER 2.16 -0.32 1 41 ASN -0.40 0.05 1 42 LYS 2.90 -0.19 1 43 GLU -0.26 -0.22 1 44 VAL 3.18 0.12 1 45 LYS -2.28 0.94 1 47 ILE -4.70 1.02 1 48 ILE -4.60 1.13 1 49 LEU -2.65 0.45 1 54 ASP -3.84 0.35 1 55 ILE 3.82 -0.59 1 56 GLU 2.95 -0.33 1 57 LYS 0.76 0.00 1 58 ALA -3.53 -0.22 1 59 LYS 5.06 -0.45 1 60 ASN 3.68 -0.16 1 62 ILE 5.95 -0.72 1 63 ASP 2.82 -0.39 1 64 ILE 4.86 -0.58 1 65 ALA 3.52 -0.23 1 66 LEU 1.05 -0.39 1 67 ASN -0.65 0.18 1 68 ALA 0.83 0.03 1 69 LYS 0.05 0.20 1 70 LEU -4.27 -0.19 1 72 ILE -7.06 1.38 1 73 LEU -1.66 0.88 1 75 ILE -2.47 0.30 1 79 HIS 0.19 -0.48 1 80 GLN 6.39 -1.09 1 81 LEU 3.23 -0.39 1 82 ILE 6.30 0.09 1 83 ALA 2.34 -0.96 1 84 LEU 2.59 -0.39 1 85 ALA 1.79 -0.51 1 86 TYR 0.44 -0.25 1 89 GLU -5.32 0.45 1 90 VAL -4.75 0.77 1 92 ARG -0.41 0.55 1 93 ALA -2.47 0.54 1 94 GLU -0.36 -0.04 1 95 ALA -1.04 0.31 1 96 GLU 1.44 -0.86 1 97 GLU 0.31 -0.26 1 98 TYR 0.84 -0.16 1 99 ALA -5.13 -0.32 1 100 LEU 0.32 0.33 1 101 THR -2.03 -0.06 1 102 LYS 2.91 -0.01 1 103 VAL 0.61 -0.59 1 104 TYR -2.92 0.12 1 105 VAL 2.14 0.62 1 106 ASP 0.30 -0.02 1 107 LYS -2.91 0.09 1 108 GLU 1.04 -0.51 1 109 ASN -1.21 -0.38 1 111 LEU 2.27 0.25 1 112 PHE -0.84 0.23 1 113 LYS 2.00 -0.35 1 114 ASN 3.73 -0.72 1 115 VAL -2.84 -0.41 1 117 ARG 2.52 -0.45 1 118 GLU -4.82 1.01 1 119 PHE -1.65 -0.46 1 121 ALA -8.13 0.78 1 122 TRP -3.43 0.37 1 123 ALA -5.95 0.96 1 124 SER -2.88 -0.09 1 125 HIS 1.66 -0.24 1 126 LYS 3.11 -0.67 1 127 ASP -6.50 0.62 1 128 GLU -5.30 0.42 1 129 VAL 2.69 -0.26 1 130 LYS -1.61 -0.12 1 131 LYS -3.20 0.11 1 132 VAL 1.32 -0.73 1 134 GLU 2.00 -0.28 1 136 PHE -4.22 0.43 1 137 GLU -6.71 0.69 1 138 ILE 2.13 0.00 1 140 ALA -3.72 1.14 1 141 HIS -3.58 0.23 1 142 SER -5.05 0.55 1 143 ASP 3.70 -0.11 1 144 ILE -2.18 0.20 1 146 GLN 3.16 0.01 1 147 VAL -1.06 0.33 1 148 GLU 1.09 -0.29 1 149 ALA -5.87 1.11 1 150 MET -3.14 1.32 1 151 LYS -4.26 1.15 1 152 HIS 0.20 -0.61 1 153 LYS 4.10 -0.55 1 154 THR -0.41 0.21 1 155 LYS -1.97 -0.05 1 157 ILE -2.34 0.36 1 158 TYR -6.33 0.72 1 160 VAL -5.46 0.42 1 162 PHE -6.44 0.25 1 163 HIS -1.08 -0.21 1 166 VAL -0.98 -0.26 1 168 HIS -1.24 -0.18 1 169 THR 1.14 0.53 1 173 ASN 4.31 -0.50 1 174 GLU 2.46 -0.45 1 175 ILE 4.32 -0.29 1 176 LEU 3.94 -0.44 1 177 LYS 5.17 -0.34 1 178 ASN 2.88 -0.37 1 179 PHE 4.84 -0.72 1 181 LYS 4.89 0.29 1 182 VAL 5.87 -0.45 1 185 TYR 1.92 -0.60 1 186 LYS -3.52 -0.65 1 187 PHE -1.01 0.07 1 188 GLU 0.37 -0.23 1 stop_ save_