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 bmr27666_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.45 _LACS_plot.Line_1_terminator_val_y_1 -2.10 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 0.89 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.21 _LACS_plot.Line_2_terminator_val_x_2 8.99 _LACS_plot.Line_2_terminator_val_y_2 6.98 _LACS_plot.Y_axis_chem_shift_offset -0.23 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 55 ILE 3.69 0.18 0 155 GLN 5.47 1.10 0 10 ASP 2.64 2.27 1 11 LEU 4.32 3.62 1 12 LYS 8.99 4.44 1 13 GLU 3.46 2.76 1 15 LEU 2.72 2.98 1 16 LYS 5.46 5.08 1 17 LYS 4.18 3.48 1 18 GLN 3.55 2.70 1 19 LEU 4.32 3.62 1 20 GLU 1.86 4.36 1 21 PHE 5.33 4.54 1 23 PHE 2.13 1.34 1 25 ARG 4.99 3.86 1 26 GLU 4.42 3.40 1 27 ASN 3.15 3.70 1 28 LEU 4.00 2.98 1 29 SER 2.29 2.66 1 30 LYS -0.95 0.27 1 31 ASP 0.40 -0.29 1 32 LEU 4.01 2.66 1 33 TYR 4.65 3.70 1 34 LEU 4.64 3.62 1 35 ILE 4.66 3.71 1 36 SER 2.93 2.98 1 37 GLN -0.95 -0.83 1 38 MET -1.00 1.07 1 39 ASP -1.85 -1.57 1 40 SER 4.22 3.62 1 41 ASP -0.89 0.67 1 42 GLN 6.75 3.66 1 43 PHE 1.17 1.98 1 44 ILE -4.26 -0.30 1 46 ILE 6.58 4.99 1 47 TRP 4.19 2.82 1 48 THR 5.76 4.61 1 49 VAL 5.03 3.89 1 50 ALA 2.21 1.73 1 51 ASN -0.70 0.17 1 52 MET 1.58 2.04 1 53 GLU 4.42 4.36 1 54 GLU 3.46 2.76 1 56 LYS 3.86 2.84 1 57 LYS 2.90 2.20 1 58 LEU 0.47 1.37 1 59 THR 1.61 0.12 1 60 THR -0.65 -1.16 1 61 ASP -1.33 -0.53 1 63 ASP 4.57 3.56 1 64 LEU 3.36 2.66 1 65 ILE 5.94 4.99 1 66 LEU 4.00 3.62 1 67 GLU 3.34 3.08 1 68 VAL 6.31 4.53 1 69 LEU 4.32 3.62 1 70 ARG 5.06 4.00 1 71 SER -0.59 0.10 1 72 SER -2.40 -1.21 1 74 MET 1.10 0.75 1 75 VAL -6.03 -3.48 1 76 GLN -3.39 -1.02 1 77 VAL -1.26 -1.12 1 78 ASP 0.08 0.03 1 79 GLU 3.78 3.40 1 80 LYS 1.62 0.92 1 82 GLU -2.94 0.52 1 83 LYS -4.55 -0.69 1 84 VAL -5.55 -3.16 1 85 ARG -4.53 -1.69 1 87 SER -0.59 -0.22 1 92 ILE -3.35 -0.77 1 93 VAL -1.38 0.04 1 94 ILE -2.39 -0.78 1 95 LEU -3.37 -1.51 1 96 ARG -3.27 -0.81 1 97 GLU 4.43 1.16 1 98 ILE -1.05 -0.30 1 100 GLU 2.94 2.44 1 101 THR 0.95 0.12 1 102 THR 1.02 1.80 1 104 ILE 4.66 4.35 1 105 GLU 4.42 3.40 1 106 GLU 2.50 2.44 1 107 VAL 6.31 4.53 1 108 LYS 4.82 4.44 1 110 LEU 2.72 2.34 1 111 PHE 0.85 0.06 1 112 LYS 2.26 0.60 1 113 SER -0.91 -0.22 1 114 GLU 2.65 2.03 1 115 ASN 0.26 0.17 1 118 LYS 0.98 0.92 1 119 VAL 0.22 0.36 1 120 ILE 2.73 0.50 1 121 SER -2.51 -0.54 1 123 GLU -5.83 -1.41 1 124 PHE 1.81 0.70 1 125 ALA -0.67 -0.51 1 127 ASN 3.46 2.09 1 128 SER 2.94 1.70 1 129 ASN -3.31 -1.16 1 130 TRP -2.22 -0.70 1 131 TYR -3.36 -3.35 1 132 ILE -0.79 -2.06 1 133 THR 1.57 1.71 1 134 PHE -3.00 0.38 1 135 GLN 2.58 2.70 1 136 SER -5.40 -1.83 1 137 ASP 4.57 3.56 1 138 THR 5.76 4.61 1 139 ASP 3.93 3.56 1 140 ALA 4.13 3.01 1 141 GLN 5.47 3.98 1 142 GLN 4.83 3.34 1 143 ALA 1.89 3.01 1 144 PHE 3.73 3.90 1 145 LYS 4.18 4.12 1 146 TYR 4.65 3.38 1 147 LEU 2.58 2.98 1 148 ARG 3.46 3.04 1 149 GLU 0.54 1.48 1 150 GLU 0.58 1.16 1 151 VAL 5.35 4.21 1 152 LYS 8.02 7.00 1 153 THR -4.82 -1.48 1 154 PHE -2.04 -0.26 1 157 LYS -1.69 -0.61 1 159 ILE 0.81 0.82 1 160 MET -1.25 -1.11 1 161 ALA -6.45 -2.12 1 162 ARG -4.23 -0.81 1 163 ILE -1.11 -0.46 1 165 ALA -0.99 -0.51 1 166 ILE -1.43 -0.14 1 169 PHE 0.49 0.55 1 170 PHE -0.22 -0.04 1 171 ALA -0.74 -0.07 1 172 LYS 1.18 0.90 1 173 ASN 0.56 0.31 1 175 TYR -0.07 -0.01 1 176 ARG -0.51 -0.21 1 177 LEU 0.44 0.19 1 178 MET -0.62 -0.17 1 179 ASP 0.60 1.71 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27666_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.45 _LACS_plot.Line_1_terminator_val_y_1 4.35 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -1.10 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.79 _LACS_plot.Line_2_terminator_val_x_2 8.99 _LACS_plot.Line_2_terminator_val_y_2 -2.01 _LACS_plot.Y_axis_chem_shift_offset -0.23 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 55 ILE 3.69 -3.51 0 155 GLN 5.47 -4.37 0 10 ASP 2.64 -0.37 1 11 LEU 4.32 -0.70 1 12 LYS 8.99 -4.55 1 13 GLU 3.46 -0.70 1 15 LEU 2.72 0.26 1 16 LYS 5.46 -0.38 1 17 LYS 4.18 -0.70 1 18 GLN 3.55 -0.85 1 19 LEU 4.32 -0.70 1 20 GLU 1.86 2.50 1 21 PHE 5.33 -0.79 1 23 PHE 2.13 -0.79 1 25 ARG 4.99 -1.13 1 26 GLU 4.42 -1.02 1 27 ASN 3.15 0.55 1 28 LEU 4.00 -1.02 1 29 SER 2.29 0.37 1 30 LYS -0.95 1.22 1 31 ASP 0.40 -0.69 1 32 LEU 4.01 -1.35 1 33 TYR 4.65 -0.95 1 34 LEU 4.64 -1.02 1 35 ILE 4.66 -0.95 1 36 SER 2.93 0.05 1 37 GLN -0.95 0.12 1 38 MET -1.00 2.07 1 39 ASP -1.85 0.28 1 40 SER 4.22 -0.60 1 41 ASP -0.89 1.56 1 42 GLN 6.75 -3.09 1 43 PHE 1.17 0.81 1 44 ILE -4.26 3.96 1 46 ILE 6.58 -1.59 1 47 TRP 4.19 -1.37 1 48 THR 5.76 -1.15 1 49 VAL 5.03 -1.14 1 50 ALA 2.21 -0.48 1 51 ASN -0.70 0.87 1 52 MET 1.58 0.46 1 53 GLU 4.42 -0.06 1 54 GLU 3.46 -0.70 1 56 LYS 3.86 -1.02 1 57 LYS 2.90 -0.70 1 58 LEU 0.47 0.90 1 59 THR 1.61 -1.49 1 60 THR -0.65 -0.51 1 61 ASP -1.33 0.80 1 63 ASP 4.57 -1.01 1 64 LEU 3.36 -0.70 1 65 ILE 5.94 -0.95 1 66 LEU 4.00 -0.38 1 67 GLU 3.34 -0.26 1 68 VAL 6.31 -1.78 1 69 LEU 4.32 -0.70 1 70 ARG 5.06 -1.06 1 71 SER -0.59 0.69 1 72 SER -2.40 1.19 1 74 MET 1.10 -0.35 1 75 VAL -6.03 2.55 1 76 GLN -3.39 2.37 1 77 VAL -1.26 0.14 1 78 ASP 0.08 -0.05 1 79 GLU 3.78 -0.38 1 80 LYS 1.62 -0.70 1 82 GLU -2.94 3.46 1 83 LYS -4.55 3.86 1 84 VAL -5.55 2.39 1 85 ARG -4.53 2.84 1 87 SER -0.59 0.37 1 92 ILE -3.35 2.58 1 93 VAL -1.38 1.42 1 94 ILE -2.39 1.61 1 95 LEU -3.37 1.86 1 96 ARG -3.27 2.46 1 97 GLU 4.43 -3.27 1 98 ILE -1.05 0.75 1 100 GLU 2.94 -0.50 1 101 THR 0.95 -0.83 1 102 THR 1.02 0.78 1 104 ILE 4.66 -0.31 1 105 GLU 4.42 -1.02 1 106 GLU 2.50 -0.06 1 107 VAL 6.31 -1.78 1 108 LYS 4.82 -0.38 1 110 LEU 2.72 -0.38 1 111 PHE 0.85 -0.79 1 112 LYS 2.26 -1.66 1 113 SER -0.91 0.69 1 114 GLU 2.65 -0.62 1 115 ASN 0.26 -0.09 1 118 LYS 0.98 -0.06 1 119 VAL 0.22 0.14 1 120 ILE 2.73 -2.23 1 121 SER -2.51 1.97 1 123 GLU -5.83 4.42 1 124 PHE 1.81 -1.11 1 125 ALA -0.67 0.16 1 127 ASN 3.46 -1.37 1 128 SER 2.94 -1.24 1 129 ASN -3.31 2.15 1 130 TRP -2.22 1.52 1 131 TYR -3.36 0.01 1 132 ILE -0.79 -1.27 1 133 THR 1.57 0.14 1 134 PHE -3.00 3.38 1 135 GLN 2.58 0.12 1 136 SER -5.40 3.57 1 137 ASP 4.57 -1.01 1 138 THR 5.76 -1.15 1 139 ASP 3.93 -0.37 1 140 ALA 4.13 -1.12 1 141 GLN 5.47 -1.49 1 142 GLN 4.83 -1.49 1 143 ALA 1.89 1.12 1 144 PHE 3.73 0.17 1 145 LYS 4.18 -0.06 1 146 TYR 4.65 -1.27 1 147 LEU 2.58 0.40 1 148 ARG 3.46 -0.42 1 149 GLU 0.54 0.94 1 150 GLU 0.58 0.58 1 151 VAL 5.35 -1.14 1 152 LYS 8.02 -1.02 1 153 THR -4.82 3.34 1 154 PHE -2.04 1.78 1 157 LYS -1.69 1.08 1 159 ILE 0.81 0.01 1 160 MET -1.25 0.14 1 161 ALA -6.45 4.33 1 162 ARG -4.23 3.42 1 163 ILE -1.11 0.65 1 165 ALA -0.99 0.48 1 166 ILE -1.43 1.29 1 169 PHE 0.49 0.06 1 170 PHE -0.22 0.18 1 171 ALA -0.74 0.67 1 172 LYS 1.18 -0.28 1 173 ASN 0.56 -0.25 1 175 TYR -0.07 0.06 1 176 ARG -0.51 0.30 1 177 LEU 0.44 -0.25 1 178 MET -0.62 0.45 1 179 ASP 0.60 1.11 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27666_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.45 _LACS_plot.Line_1_terminator_val_y_1 0.73 _LACS_plot.Line_1_terminator_val_x_2 1.99 _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 0.20 _LACS_plot.Line_2_terminator_val_x_2 8.99 _LACS_plot.Line_2_terminator_val_y_2 -0.95 _LACS_plot.Y_axis_chem_shift_offset 0.00 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 161 ALA -6.45 1.49 0 44 ILE -4.26 -0.55 0 10 ASP 2.64 -0.19 1 11 LEU 4.32 -0.31 1 12 LYS 8.99 -0.54 1 13 GLU 3.46 -0.35 1 15 LEU 2.72 -0.44 1 16 LYS 5.46 -0.80 1 17 LYS 4.18 -0.25 1 18 GLN 3.55 -0.20 1 19 LEU 4.32 -0.31 1 20 GLU 1.86 -0.64 1 21 PHE 5.33 -0.37 1 23 PHE 2.13 -0.41 1 26 GLU 4.42 -0.50 1 27 ASN 3.15 -0.35 1 28 LEU 4.00 -0.41 1 29 SER 2.29 -0.34 1 30 LYS -0.95 0.09 1 31 ASP 0.40 -0.05 1 32 LEU 4.01 -0.38 1 33 TYR 4.65 -0.37 1 34 LEU 4.64 -0.83 1 35 ILE 4.66 -0.39 1 36 SER 2.93 -0.27 1 37 GLN -0.95 -0.14 1 38 MET -1.00 -0.06 1 39 ASP -1.85 0.11 1 40 SER 4.22 -0.35 1 41 ASP -0.89 0.21 1 42 GLN 6.75 -0.61 1 43 PHE 1.17 -0.15 1 46 ILE 6.58 -0.73 1 47 TRP 4.19 -0.37 1 48 THR 5.76 -0.63 1 49 VAL 5.03 -0.69 1 50 ALA 2.21 -0.48 1 51 ASN -0.70 -0.24 1 52 MET 1.58 -0.37 1 53 GLU 4.42 -0.63 1 54 GLU 3.46 -0.49 1 55 ILE 3.69 -0.26 1 56 LYS 3.86 -0.11 1 57 LYS 2.90 -0.40 1 58 LEU 0.47 -0.06 1 59 THR 1.61 0.18 1 60 THR -0.65 0.08 1 61 ASP -1.33 -0.06 1 63 ASP 4.57 -0.25 1 64 LEU 3.36 -0.21 1 65 ILE 5.94 -0.88 1 66 LEU 4.00 -0.60 1 67 GLU 3.34 -0.51 1 68 VAL 6.31 -0.54 1 69 LEU 4.32 -0.60 1 70 ARG 5.06 -0.57 1 71 SER -0.59 0.05 1 72 SER -2.40 0.11 1 74 MET 1.10 -0.14 1 75 VAL -6.03 0.71 1 77 VAL -1.26 0.65 1 78 ASP 0.08 -0.23 1 79 GLU 3.78 -0.51 1 80 LYS 1.62 -0.21 1 82 GLU -2.94 0.02 1 83 LYS -4.55 0.82 1 84 VAL -5.55 1.36 1 85 ARG -4.53 0.67 1 87 SER -0.59 -0.34 1 92 ILE -3.35 0.72 1 93 VAL -1.38 0.41 1 94 ILE -2.39 0.92 1 95 LEU -3.37 0.79 1 96 ARG -3.27 0.91 1 97 GLU 4.43 -0.57 1 98 ILE -1.05 0.21 1 101 THR 0.95 -0.31 1 102 THR 1.02 -0.55 1 104 ILE 4.66 -0.44 1 105 GLU 4.42 -0.44 1 106 GLU 2.50 -0.29 1 107 VAL 6.31 -1.09 1 108 LYS 4.82 -0.45 1 110 LEU 2.72 -0.47 1 111 PHE 0.85 -0.05 1 112 LYS 2.26 -0.04 1 113 SER -0.91 -0.07 1 115 ASN 0.26 -0.12 1 118 LYS 0.98 -0.29 1 119 VAL 0.22 -1.01 1 120 ILE 2.73 -0.20 1 121 SER -2.51 0.02 1 123 GLU -5.83 0.44 1 124 PHE 1.81 -1.24 1 125 ALA -0.67 -0.39 1 127 ASN 3.46 -0.39 1 128 SER 2.94 -0.16 1 129 ASN -3.31 1.08 1 130 TRP -2.22 0.03 1 131 TYR -3.36 0.63 1 132 ILE -0.79 0.53 1 133 THR 1.57 0.18 1 134 PHE -3.00 -0.03 1 135 GLN 2.58 -0.25 1 136 SER -5.40 0.42 1 137 ASP 4.57 -0.25 1 138 THR 5.76 -0.48 1 139 ASP 3.93 -0.39 1 140 ALA 4.13 -1.21 1 141 GLN 5.47 -0.50 1 142 GLN 4.83 -0.27 1 143 ALA 1.89 -0.10 1 144 PHE 3.73 -0.55 1 145 LYS 4.18 -0.55 1 146 TYR 4.65 -0.27 1 147 LEU 2.58 -0.92 1 148 ARG 3.46 -0.56 1 149 GLU 0.54 -0.21 1 150 GLU 0.58 0.05 1 151 VAL 5.35 -0.50 1 152 LYS 8.02 -0.70 1 153 THR -4.82 0.56 1 154 PHE -2.04 0.02 1 155 GLN 5.47 -0.88 1 157 LYS -1.69 0.27 1 159 ILE 0.81 -0.30 1 160 MET -1.25 0.21 1 162 ARG -4.23 0.26 1 163 ILE -1.11 0.49 1 165 ALA -0.99 0.34 1 166 ILE -1.43 0.04 1 171 ALA -0.74 0.13 1 177 LEU 0.44 -0.14 1 stop_ save_