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 bmr36133_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -4.30 _LACS_plot.Line_1_terminator_val_y_1 -3.15 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 1.17 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.48 _LACS_plot.Line_2_terminator_val_x_2 8.80 _LACS_plot.Line_2_terminator_val_y_2 6.09 _LACS_plot.Y_axis_chem_shift_offset 0.14 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 15 ASP 3.50 4.50 0 20 LYS 4.20 0.70 0 122 GLU 4.20 0.70 0 134 MET 2.90 4.20 0 10 ARG 5.10 3.20 1 11 GLU 3.30 2.40 1 12 LEU 3.30 2.70 1 13 VAL 5.90 4.90 1 14 VAL 6.70 4.70 1 16 PHE 5.20 5.10 1 17 LEU 3.90 2.60 1 19 TYR 3.20 1.70 1 21 LEU 5.10 3.10 1 22 SER 3.70 2.50 1 23 GLN 3.30 2.20 1 24 LYS -1.30 -2.40 1 26 TYR -4.30 -2.80 1 27 SER -2.30 -2.00 1 28 TRP 1.40 1.90 1 29 SER 2.60 1.10 1 30 GLN 2.00 1.20 1 31 PHE -1.30 -1.60 1 32 SER -1.60 -1.60 1 33 ASP -0.10 -0.20 1 34 VAL 0.40 0.20 1 35 GLU -0.10 -0.40 1 36 GLU -0.20 -0.40 1 37 ASN 0.30 0.10 1 38 ARG 0.80 0.10 1 39 THR 0.20 0.20 1 40 GLU -1.10 -0.80 1 41 ALA -1.80 -2.60 1 43 GLU -0.10 -0.30 1 45 THR 0.40 0.50 1 46 GLU 1.20 0.50 1 47 SER 0.90 0.20 1 48 GLU 3.10 2.00 1 49 ALA 3.30 2.50 1 50 VAL 4.90 3.10 1 51 LYS 4.00 2.60 1 52 GLN 4.30 2.50 1 53 ALA 3.10 2.40 1 54 LEU 3.00 2.70 1 55 ARG 4.80 4.30 1 56 GLU 3.50 2.70 1 57 ALA 2.20 2.30 1 59 ASP 0.20 0.80 1 61 PHE 3.00 2.70 1 63 LEU 1.40 1.80 1 64 ARG 1.80 1.50 1 66 ARG 4.30 3.00 1 68 ALA 2.80 2.10 1 69 PHE 1.60 0.50 1 70 SER 3.90 3.00 1 71 ASP 3.00 2.20 1 72 LEU 1.90 1.50 1 73 THR 5.50 3.90 1 74 SER 3.40 2.20 1 75 GLN 1.40 1.10 1 76 LEU -1.30 -0.40 1 77 HIS -0.20 0.80 1 78 ILE 1.50 0.60 1 82 THR 0.80 0.20 1 88 GLU 2.30 2.10 1 89 GLN 4.40 3.00 1 90 VAL 4.90 3.10 1 91 VAL 5.90 3.80 1 92 ASN 4.10 1.70 1 93 GLU 3.30 1.70 1 94 LEU 3.40 1.50 1 95 PHE 0.10 -0.70 1 96 ARG 4.70 3.20 1 97 ASP -0.20 -0.70 1 99 VAL 1.70 0.30 1 100 ASN -2.20 -1.80 1 101 TRP 2.20 2.90 1 103 ARG 2.80 2.20 1 104 ILE 8.50 5.50 1 105 VAL 8.10 5.40 1 106 ALA 3.10 2.30 1 107 PHE 4.20 2.50 1 108 PHE 8.80 5.10 1 109 SER -2.80 -1.90 1 110 PHE 3.40 1.90 1 113 ALA 3.00 2.20 1 114 LEU 2.30 1.70 1 116 VAL 6.30 4.50 1 117 GLU 3.70 2.50 1 118 SER 6.90 4.60 1 119 VAL 6.10 4.40 1 120 ASP 3.50 3.10 1 121 LYS 0.90 -0.60 1 123 MET -1.60 -2.50 1 124 GLN 6.20 3.90 1 125 VAL 2.70 0.80 1 126 LEU 1.70 0.10 1 127 VAL 7.90 5.30 1 128 SER 4.80 2.90 1 129 ARG 3.70 2.00 1 130 ILE 5.50 3.70 1 131 ALA 3.20 2.20 1 132 ALA 3.80 2.30 1 133 TRP 1.20 -0.20 1 135 ALA 4.60 3.00 1 136 THR 6.80 5.40 1 138 LEU 3.80 4.00 1 139 ASN 3.00 3.20 1 140 ASP 2.40 1.70 1 141 HIS -0.50 0.90 1 142 LEU 0.50 0.80 1 143 GLU 8.10 6.20 1 145 TRP 5.60 4.20 1 146 ILE 6.20 5.00 1 147 GLN 4.30 2.50 1 148 GLU 1.70 1.00 1 149 ASN 1.70 0.20 1 152 TRP 3.00 2.60 1 153 ASP 4.30 3.00 1 154 THR 6.00 4.50 1 155 PHE 5.80 3.50 1 156 VAL 6.10 4.20 1 157 GLU 2.80 2.10 1 158 LEU 0.30 1.40 1 159 TYR 1.60 1.60 1 161 ASN 0.30 0.20 1 162 ASN 0.50 0.30 1 163 ALA 1.50 1.00 1 164 ALA 1.10 0.50 1 165 ALA 1.40 1.10 1 166 GLU 1.40 0.80 1 167 SER 1.80 1.00 1 168 ARG 0.50 0.20 1 169 LYS 1.30 0.90 1 171 GLN 0.70 0.00 1 172 GLU 0.90 0.20 1 173 ARG 1.20 0.30 1 174 LEU 0.40 0.20 1 175 GLU -0.10 -0.10 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr36133_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -4.30 _LACS_plot.Line_1_terminator_val_y_1 1.15 _LACS_plot.Line_1_terminator_val_x_2 1.99 _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 0.52 _LACS_plot.Line_2_terminator_val_x_2 8.80 _LACS_plot.Line_2_terminator_val_y_2 -2.71 _LACS_plot.Y_axis_chem_shift_offset 0.14 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 15 ASP 3.50 1.00 0 20 LYS 4.20 -3.50 0 122 GLU 4.20 -3.50 0 134 MET 2.90 1.30 0 10 ARG 5.10 -1.90 1 11 GLU 3.30 -0.90 1 12 LEU 3.30 -0.60 1 13 VAL 5.90 -1.00 1 14 VAL 6.70 -2.00 1 16 PHE 5.20 -0.10 1 17 LEU 3.90 -1.30 1 19 TYR 3.20 -1.50 1 21 LEU 5.10 -2.00 1 22 SER 3.70 -1.20 1 23 GLN 3.30 -1.10 1 24 LYS -1.30 -1.10 1 26 TYR -4.30 1.50 1 27 SER -2.30 0.30 1 28 TRP 1.40 0.50 1 29 SER 2.60 -1.50 1 30 GLN 2.00 -0.80 1 31 PHE -1.30 -0.30 1 32 SER -1.60 0.00 1 33 ASP -0.10 -0.10 1 34 VAL 0.40 -0.20 1 35 GLU -0.10 -0.30 1 36 GLU -0.20 -0.20 1 37 ASN 0.30 -0.20 1 38 ARG 0.80 -0.70 1 39 THR 0.20 0.00 1 40 GLU -1.10 0.30 1 41 ALA -1.80 -0.80 1 43 GLU -0.10 -0.20 1 45 THR 0.40 0.10 1 46 GLU 1.20 -0.70 1 47 SER 0.90 -0.70 1 48 GLU 3.10 -1.10 1 49 ALA 3.30 -0.80 1 50 VAL 4.90 -1.80 1 51 LYS 4.00 -1.40 1 52 GLN 4.30 -1.80 1 53 ALA 3.10 -0.70 1 54 LEU 3.00 -0.30 1 55 ARG 4.80 -0.50 1 56 GLU 3.50 -0.80 1 57 ALA 2.20 0.10 1 59 ASP 0.20 0.60 1 61 PHE 3.00 -0.30 1 63 LEU 1.40 0.40 1 64 ARG 1.80 -0.30 1 66 ARG 4.30 -1.30 1 68 ALA 2.80 -0.70 1 69 PHE 1.60 -1.10 1 70 SER 3.90 -0.90 1 71 ASP 3.00 -0.80 1 72 LEU 1.90 -0.40 1 73 THR 5.50 -1.60 1 74 SER 3.40 -1.20 1 75 GLN 1.40 -0.30 1 76 LEU -1.30 0.90 1 77 HIS -0.20 1.00 1 78 ILE 1.50 -0.90 1 82 THR 0.80 -0.60 1 88 GLU 2.30 -0.20 1 89 GLN 4.40 -1.40 1 90 VAL 4.90 -1.80 1 91 VAL 5.90 -2.10 1 92 ASN 4.10 -2.40 1 93 GLU 3.30 -1.60 1 94 LEU 3.40 -1.90 1 95 PHE 0.10 -0.80 1 96 ARG 4.70 -1.50 1 97 ASP -0.20 -0.50 1 99 VAL 1.70 -1.40 1 100 ASN -2.20 0.40 1 101 TRP 2.20 0.70 1 103 ARG 2.80 -0.60 1 104 ILE 8.50 -3.00 1 105 VAL 8.10 -2.70 1 106 ALA 3.10 -0.80 1 107 PHE 4.20 -1.70 1 108 PHE 8.80 -3.70 1 109 SER -2.80 0.90 1 110 PHE 3.40 -1.50 1 113 ALA 3.00 -0.80 1 114 LEU 2.30 -0.60 1 116 VAL 6.30 -1.80 1 117 GLU 3.70 -1.20 1 118 SER 6.90 -2.30 1 119 VAL 6.10 -1.70 1 120 ASP 3.50 -0.40 1 121 LYS 0.90 -1.50 1 123 MET -1.60 -0.90 1 124 GLN 6.20 -2.30 1 125 VAL 2.70 -1.90 1 126 LEU 1.70 -1.60 1 127 VAL 7.90 -2.60 1 128 SER 4.80 -1.90 1 129 ARG 3.70 -1.70 1 130 ILE 5.50 -1.80 1 131 ALA 3.20 -1.00 1 132 ALA 3.80 -1.50 1 133 TRP 1.20 -1.40 1 135 ALA 4.60 -1.60 1 136 THR 6.80 -1.40 1 138 LEU 3.80 0.20 1 139 ASN 3.00 0.20 1 140 ASP 2.40 -0.70 1 141 HIS -0.50 1.40 1 142 LEU 0.50 0.30 1 143 GLU 8.10 -1.90 1 145 TRP 5.60 -1.40 1 146 ILE 6.20 -1.20 1 147 GLN 4.30 -1.80 1 148 GLU 1.70 -0.70 1 149 ASN 1.70 -1.50 1 152 TRP 3.00 -0.40 1 153 ASP 4.30 -1.30 1 154 THR 6.00 -1.50 1 155 PHE 5.80 -2.30 1 156 VAL 6.10 -1.90 1 157 GLU 2.80 -0.70 1 158 LEU 0.30 1.10 1 159 TYR 1.60 0.00 1 161 ASN 0.30 -0.10 1 162 ASN 0.50 -0.20 1 163 ALA 1.50 -0.50 1 164 ALA 1.10 -0.60 1 165 ALA 1.40 -0.30 1 166 GLU 1.40 -0.60 1 167 SER 1.80 -0.80 1 168 ARG 0.50 -0.30 1 169 LYS 1.30 -0.40 1 171 GLN 0.70 -0.70 1 172 GLU 0.90 -0.70 1 173 ARG 1.20 -0.90 1 174 LEU 0.40 -0.20 1 175 GLU -0.10 0.00 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr36133_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -4.30 _LACS_plot.Line_1_terminator_val_y_1 0.21 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -0.25 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.06 _LACS_plot.Line_2_terminator_val_x_2 8.80 _LACS_plot.Line_2_terminator_val_y_2 -0.80 _LACS_plot.Y_axis_chem_shift_offset 0.10 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 146 ILE 6.20 -1.30 0 88 GLU 2.30 -1.05 0 106 ALA 3.10 -1.13 0 130 ILE 5.50 -1.35 0 104 ILE 8.50 -0.24 0 10 ARG 5.10 -0.43 1 11 GLU 3.30 -0.46 1 12 LEU 3.30 -0.48 1 13 VAL 5.90 -0.24 1 14 VAL 6.70 -1.20 1 15 ASP 3.50 -0.61 1 16 PHE 5.20 -0.71 1 17 LEU 3.90 -0.40 1 19 TYR 3.20 -0.23 1 20 LYS 4.20 -0.52 1 21 LEU 5.10 -0.30 1 22 SER 3.70 0.18 1 23 GLN 3.30 -0.38 1 24 LYS -1.30 0.08 1 26 TYR -4.30 0.10 1 27 SER -2.30 -0.17 1 28 TRP 1.40 0.17 1 29 SER 2.60 -0.39 1 30 GLN 2.00 -0.47 1 31 PHE -1.30 -0.07 1 32 SER -1.60 -0.34 1 33 ASP -0.10 -0.07 1 34 VAL 0.40 -0.05 1 35 GLU -0.10 -0.13 1 36 GLU -0.20 -0.12 1 37 ASN 0.30 -0.08 1 38 ARG 0.80 0.05 1 39 THR 0.20 -0.05 1 40 GLU -1.10 -0.07 1 41 ALA -1.80 -0.06 1 43 GLU -0.10 0.03 1 45 THR 0.40 0.01 1 46 GLU 1.20 -0.04 1 47 SER 0.90 -0.15 1 48 GLU 3.10 -0.01 1 49 ALA 3.30 -0.21 1 50 VAL 4.90 -0.67 1 51 LYS 4.00 -0.64 1 52 GLN 4.30 -0.67 1 53 ALA 3.10 -0.11 1 54 LEU 3.00 -0.24 1 55 ARG 4.80 -0.63 1 56 GLU 3.50 -0.21 1 57 ALA 2.20 -0.19 1 59 ASP 0.20 -0.23 1 61 PHE 3.00 -0.30 1 63 LEU 1.40 -0.15 1 64 ARG 1.80 -0.44 1 66 ARG 4.30 -0.32 1 68 ALA 2.80 -0.23 1 69 PHE 1.60 0.08 1 71 ASP 3.00 -0.22 1 72 LEU 1.90 -0.32 1 73 THR 5.50 -0.33 1 74 SER 3.40 -0.16 1 75 GLN 1.40 -0.32 1 76 LEU -1.30 -0.05 1 77 HIS -0.20 -0.11 1 78 ILE 1.50 0.01 1 82 THR 0.80 -0.08 1 89 GLN 4.40 -0.47 1 90 VAL 4.90 -0.50 1 91 VAL 5.90 -1.12 1 92 ASN 4.10 -0.50 1 93 GLU 3.30 -0.38 1 94 LEU 3.40 -0.61 1 95 PHE 0.10 -0.11 1 96 ARG 4.70 -0.43 1 97 ASP -0.20 0.15 1 99 VAL 1.70 -0.61 1 100 ASN -2.20 -0.22 1 101 TRP 2.20 -0.64 1 103 ARG 2.80 -0.43 1 105 VAL 8.10 -0.69 1 107 PHE 4.20 -0.66 1 108 PHE 8.80 -1.29 1 109 SER -2.80 0.35 1 110 PHE 3.40 -0.52 1 113 ALA 3.00 -0.14 1 114 LEU 2.30 -0.32 1 116 VAL 6.30 -0.78 1 117 GLU 3.70 -0.28 1 118 SER 6.90 -0.42 1 119 VAL 6.10 -0.96 1 120 ASP 3.50 -0.27 1 121 LYS 0.90 0.04 1 122 GLU 4.20 -0.42 1 123 MET -1.60 0.30 1 124 GLN 6.20 -0.89 1 125 VAL 2.70 -0.11 1 126 LEU 1.70 -0.48 1 127 VAL 7.90 -0.76 1 128 SER 4.80 -0.52 1 129 ARG 3.70 -0.67 1 131 ALA 3.20 -0.47 1 132 ALA 3.80 -0.17 1 133 TRP 1.20 -0.05 1 134 MET 2.90 -0.17 1 135 ALA 4.60 -0.22 1 136 THR 6.80 -0.42 1 138 LEU 3.80 -0.57 1 139 ASN 3.00 -0.41 1 140 ASP 2.40 -0.34 1 141 HIS -0.50 -0.22 1 142 LEU 0.50 0.16 1 143 GLU 8.10 -0.41 1 145 TRP 5.60 -0.85 1 147 GLN 4.30 -0.45 1 148 GLU 1.70 -0.30 1 149 ASN 1.70 -0.33 1 152 TRP 3.00 -0.20 1 153 ASP 4.30 -0.23 1 154 THR 6.00 -0.39 1 155 PHE 5.80 -0.22 1 156 VAL 6.10 -1.09 1 157 GLU 2.80 -0.48 1 158 LEU 0.30 -0.36 1 159 TYR 1.60 -0.41 1 161 ASN 0.30 -0.10 1 162 ASN 0.50 -0.14 1 163 ALA 1.50 -0.16 1 164 ALA 1.10 -0.11 1 165 ALA 1.40 -0.19 1 166 GLU 1.40 -0.20 1 167 SER 1.80 -0.12 1 169 LYS 1.30 -0.09 1 171 GLN 0.70 -0.08 1 172 GLU 0.90 -0.17 1 173 ARG 1.20 -0.07 1 174 LEU 0.40 -0.08 1 175 GLU -0.10 -0.18 1 stop_ save_