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 bmr26646_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.52 _LACS_plot.Line_1_terminator_val_y_1 -2.77 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.20 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -2.01 _LACS_plot.Line_2_terminator_val_x_2 8.27 _LACS_plot.Line_2_terminator_val_y_2 5.39 _LACS_plot.Y_axis_chem_shift_offset 0.66 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 117 PHE -6.44 -0.93 0 10 GLU -5.82 -2.57 1 11 THR -1.98 -0.50 1 12 ALA -5.30 -2.61 1 13 THR -3.52 -1.87 1 14 SER -1.82 -1.27 1 15 ARG -2.21 -1.60 1 16 ARG 2.61 0.55 1 18 LEU -0.13 -0.83 1 20 GLU 0.44 -0.52 1 22 ARG -0.13 -0.55 1 23 TYR -5.70 -3.51 1 24 THR -5.44 -3.40 1 25 SER -1.94 -2.17 1 26 VAL -1.74 -1.06 1 28 TYR -4.03 -0.52 1 29 VAL -1.51 -0.98 1 30 ASP 4.82 1.32 1 32 LYS -1.58 -1.80 1 33 GLU 0.86 -0.30 1 34 PHE -2.97 -1.09 1 35 VAL -5.82 -2.27 1 36 ARG -3.15 -0.01 1 38 ASP -3.81 -1.93 1 39 SER 3.84 2.66 1 40 ASP 0.76 -0.40 1 41 ALA -1.00 -1.09 1 42 GLU 3.15 1.88 1 43 ASN -0.39 -1.02 1 45 ARG -1.79 -1.41 1 46 TYR 2.26 2.37 1 47 GLU -4.02 -2.13 1 49 GLN -2.76 -2.67 1 50 VAL -4.89 -3.48 1 52 TRP 0.65 -1.63 1 53 MET 0.55 -1.75 1 54 GLU 3.33 1.60 1 55 GLN 1.32 0.60 1 56 GLU 0.43 -0.98 1 59 GLU 4.66 2.62 1 60 TYR 4.95 3.51 1 61 TRP 2.26 1.14 1 62 GLU 3.50 2.41 1 63 ARG 5.14 3.43 1 64 ILE 7.04 3.97 1 65 THR 8.27 6.25 1 66 GLN 5.50 3.03 1 67 VAL 7.22 4.12 1 68 ALA 4.92 2.05 1 69 LYS 4.59 2.15 1 71 GLN 3.93 1.73 1 72 GLU 4.01 3.03 1 73 GLN 4.86 2.27 1 74 TRP 6.20 4.73 1 75 PHE 6.34 5.29 1 76 ARG 5.59 4.02 1 77 VAL 4.45 2.93 1 78 ASN 6.03 4.59 1 79 LEU 4.27 3.24 1 80 ARG 5.67 2.99 1 81 THR 5.96 3.65 1 82 LEU 5.42 2.74 1 83 LEU 4.57 2.61 1 85 TYR 1.99 -1.06 1 86 TYR 2.98 1.06 1 87 ASN 3.28 1.03 1 88 GLN -2.21 -1.64 1 89 SER -0.68 -0.80 1 90 ALA 1.33 0.27 1 93 THR -1.02 -1.46 1 94 HIS -4.77 -0.93 1 95 THR -3.08 -0.97 1 96 LEU -5.25 -1.81 1 97 GLN -5.96 -1.92 1 98 ARG -7.52 -2.54 1 99 MET -2.92 -1.29 1 100 TYR -4.87 -2.08 1 103 ASP -1.90 -1.72 1 104 VAL -3.46 -2.54 1 106 SER 3.89 2.39 1 107 ASP -0.04 -1.64 1 109 ARG -0.95 -1.52 1 110 LEU 2.64 1.45 1 111 LEU -0.68 0.12 1 112 ARG -3.12 -0.86 1 114 TYR -4.60 -1.42 1 115 GLU 1.07 1.14 1 116 GLN -1.80 1.27 1 118 ALA -3.57 -0.88 1 119 TYR -4.44 -3.21 1 120 ASP 4.10 0.84 1 123 ASP 3.39 2.57 1 124 TYR 0.52 1.99 1 125 ILE -4.93 -2.18 1 126 ALA -5.04 -1.20 1 127 LEU -0.35 -0.48 1 128 ASN 0.84 -0.46 1 129 GLU 3.43 2.02 1 130 ASP 1.78 -0.07 1 131 LEU 4.60 0.41 1 132 ARG -3.18 0.23 1 133 THR -5.60 -2.53 1 134 TRP -4.85 -2.33 1 135 THR 1.03 1.02 1 136 ALA -3.62 -2.80 1 137 ALA 0.65 1.57 1 138 ASP -2.01 -1.86 1 139 MET 4.32 2.67 1 140 ALA 4.02 1.77 1 141 ALA 1.28 0.95 1 142 GLN 5.10 2.32 1 143 ILE 6.22 3.74 1 144 THR 6.29 4.37 1 145 ARG 5.91 4.07 1 146 ARG 5.22 3.29 1 147 LYS 5.11 3.50 1 148 TRP 5.26 2.48 1 149 GLU 4.33 3.28 1 150 GLN 4.57 2.77 1 151 ALA -0.29 -0.84 1 153 ALA 4.55 2.60 1 154 ALA 5.75 3.60 1 155 GLU 3.45 2.46 1 156 TYR 3.83 2.43 1 157 TYR 6.60 4.59 1 158 ARG 6.63 4.48 1 159 ALA 4.33 2.07 1 160 TYR 4.47 2.81 1 161 LEU 3.28 2.58 1 162 GLU -0.04 0.17 1 164 GLU 3.31 3.75 1 166 VAL 4.35 3.24 1 167 GLU 3.12 2.23 1 168 TRP 6.78 3.59 1 169 LEU 6.48 3.74 1 170 HIS 5.59 4.98 1 171 ARG 5.39 2.93 1 172 TYR 2.60 0.10 1 173 LEU 3.91 1.68 1 174 LYS 4.82 2.34 1 175 ASN 3.43 1.59 1 177 ASN 1.40 0.27 1 178 ALA -0.04 -0.30 1 179 THR 0.56 -0.14 1 180 LEU 2.19 1.53 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26646_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.52 _LACS_plot.Line_1_terminator_val_y_1 4.75 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -2.20 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.01 _LACS_plot.Line_2_terminator_val_x_2 8.27 _LACS_plot.Line_2_terminator_val_y_2 -2.88 _LACS_plot.Y_axis_chem_shift_offset 0.66 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 117 PHE -6.44 5.51 0 10 GLU -5.82 3.25 1 11 THR -1.98 1.48 1 12 ALA -5.30 2.69 1 13 THR -3.52 1.65 1 14 SER -1.82 0.55 1 15 ARG -2.21 0.61 1 16 ARG 2.61 -2.06 1 18 LEU -0.13 -0.70 1 20 GLU 0.44 -0.96 1 22 ARG -0.13 -0.42 1 23 TYR -5.70 2.19 1 24 THR -5.44 2.04 1 25 SER -1.94 -0.23 1 26 VAL -1.74 0.68 1 28 TYR -4.03 3.51 1 29 VAL -1.51 0.53 1 30 ASP 4.82 -3.50 1 32 LYS -1.58 -0.22 1 33 GLU 0.86 -1.16 1 34 PHE -2.97 1.88 1 35 VAL -5.82 3.55 1 36 ARG -3.15 3.14 1 38 ASP -3.81 1.88 1 39 SER 3.84 -1.18 1 40 ASP 0.76 -1.16 1 41 ALA -1.00 -0.09 1 42 GLU 3.15 -1.27 1 43 ASN -0.39 -0.63 1 45 ARG -1.79 0.38 1 46 TYR 2.26 0.11 1 47 GLU -4.02 1.89 1 49 GLN -2.76 0.09 1 50 VAL -4.89 1.41 1 52 TRP 0.65 -2.28 1 53 MET 0.55 -2.30 1 54 GLU 3.33 -1.73 1 55 GLN 1.32 -0.72 1 56 GLU 0.43 -1.41 1 59 GLU 4.66 -2.04 1 60 TYR 4.95 -1.44 1 61 TRP 2.26 -1.12 1 62 GLU 3.50 -1.09 1 63 ARG 5.14 -1.71 1 64 ILE 7.04 -3.07 1 65 THR 8.27 -2.02 1 66 GLN 5.50 -2.47 1 67 VAL 7.22 -3.10 1 68 ALA 4.92 -2.87 1 69 LYS 4.59 -2.44 1 71 GLN 3.93 -2.20 1 72 GLU 4.01 -0.98 1 73 GLN 4.86 -2.59 1 74 TRP 6.20 -1.47 1 75 PHE 6.34 -1.05 1 76 ARG 5.59 -1.57 1 77 VAL 4.45 -1.52 1 78 ASN 6.03 -1.44 1 79 LEU 4.27 -1.03 1 80 ARG 5.67 -2.68 1 81 THR 5.96 -2.31 1 82 LEU 5.42 -2.68 1 83 LEU 4.57 -1.96 1 85 TYR 1.99 -3.05 1 86 TYR 2.98 -1.92 1 87 ASN 3.28 -2.25 1 88 GLN -2.21 0.57 1 89 SER -0.68 -0.12 1 90 ALA 1.33 -1.06 1 93 THR -1.02 -0.44 1 94 HIS -4.77 3.84 1 95 THR -3.08 2.11 1 96 LEU -5.25 3.44 1 97 GLN -5.96 4.04 1 98 ARG -7.52 4.98 1 99 MET -2.92 1.63 1 100 TYR -4.87 2.79 1 103 ASP -1.90 0.18 1 104 VAL -3.46 0.92 1 106 SER 3.89 -1.50 1 107 ASP -0.04 -1.60 1 109 ARG -0.95 -0.57 1 110 LEU 2.64 -1.19 1 111 LEU -0.68 0.80 1 112 ARG -3.12 2.26 1 114 TYR -4.60 3.18 1 115 GLU 1.07 0.07 1 116 GLN -1.80 3.07 1 118 ALA -3.57 2.69 1 119 TYR -4.44 1.23 1 120 ASP 4.10 -3.26 1 123 ASP 3.39 -0.82 1 124 TYR 0.52 1.47 1 125 ILE -4.93 2.75 1 126 ALA -5.04 3.84 1 127 LEU -0.35 -0.13 1 128 ASN 0.84 -1.30 1 129 GLU 3.43 -1.41 1 130 ASP 1.78 -1.85 1 131 LEU 4.60 -4.19 1 132 ARG -3.18 3.41 1 133 THR -5.60 3.07 1 134 TRP -4.85 2.52 1 135 THR 1.03 -0.01 1 136 ALA -3.62 0.82 1 137 ALA 0.65 0.92 1 138 ASP -2.01 0.15 1 139 MET 4.32 -1.65 1 140 ALA 4.02 -2.25 1 141 ALA 1.28 -0.33 1 142 GLN 5.10 -2.78 1 143 ILE 6.22 -2.48 1 144 THR 6.29 -1.92 1 145 ARG 5.91 -1.84 1 146 ARG 5.22 -1.93 1 147 LYS 5.11 -1.61 1 148 TRP 5.26 -2.78 1 149 GLU 4.33 -1.05 1 150 GLN 4.57 -1.80 1 151 ALA -0.29 -0.55 1 153 ALA 4.55 -1.95 1 154 ALA 5.75 -2.15 1 155 GLU 3.45 -0.99 1 156 TYR 3.83 -1.40 1 157 TYR 6.60 -2.01 1 158 ARG 6.63 -2.15 1 159 ALA 4.33 -2.26 1 160 TYR 4.47 -1.66 1 161 LEU 3.28 -0.70 1 162 GLU -0.04 0.21 1 164 GLU 3.31 0.44 1 166 VAL 4.35 -1.11 1 167 GLU 3.12 -0.89 1 168 TRP 6.78 -3.19 1 169 LEU 6.48 -2.74 1 170 HIS 5.59 -0.61 1 171 ARG 5.39 -2.46 1 172 TYR 2.60 -2.50 1 173 LEU 3.91 -2.23 1 174 LYS 4.82 -2.48 1 175 ASN 3.43 -1.84 1 177 ASN 1.40 -1.13 1 178 ALA -0.04 -0.26 1 179 THR 0.56 -0.70 1 180 LEU 2.19 -0.66 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26646_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.52 _LACS_plot.Line_1_terminator_val_y_1 -2.91 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.70 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.86 _LACS_plot.Line_2_terminator_val_x_2 8.27 _LACS_plot.Line_2_terminator_val_y_2 2.78 _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 134 TRP -4.85 1.42 0 124 TYR 0.52 -4.11 0 131 LEU 4.60 -2.69 0 10 GLU -5.82 -0.76 1 11 THR -1.98 -2.26 1 12 ALA -5.30 -2.08 1 13 THR -3.52 0.33 1 14 SER -1.82 -1.55 1 15 ARG -2.21 -0.51 1 16 ARG 2.61 0.73 1 18 LEU -0.13 -0.12 1 22 ARG -0.13 -1.62 1 23 TYR -5.70 -2.54 1 24 THR -5.44 -2.04 1 25 SER -1.94 -0.87 1 26 VAL -1.74 -1.45 1 28 TYR -4.03 -0.33 1 29 VAL -1.51 0.14 1 32 LYS -1.58 -0.89 1 33 GLU 0.86 -0.14 1 34 PHE -2.97 -0.61 1 35 VAL -5.82 -2.97 1 36 ARG -3.15 -2.57 1 38 ASP -3.81 -0.63 1 39 SER 3.84 -0.01 1 40 ASP 0.76 0.18 1 41 ALA -1.00 -1.52 1 42 GLU 3.15 0.51 1 45 ARG -1.79 0.16 1 46 TYR 2.26 0.27 1 49 GLN -2.76 -2.29 1 52 TRP 0.65 2.02 1 53 MET 0.55 1.83 1 54 GLU 3.33 -0.03 1 55 GLN 1.32 1.28 1 56 GLU 0.43 1.24 1 59 GLU 4.66 1.99 1 60 TYR 4.95 0.25 1 61 TRP 2.26 3.33 1 62 GLU 3.50 2.47 1 63 ARG 5.14 4.39 1 64 ILE 7.04 2.15 1 65 THR 8.27 0.59 1 66 GLN 5.50 3.69 1 67 VAL 7.22 1.08 1 68 ALA 4.92 1.48 1 69 LYS 4.59 4.40 1 71 GLN 3.93 2.33 1 72 GLU 4.01 2.73 1 73 GLN 4.86 1.47 1 74 TRP 6.20 4.78 1 75 PHE 6.34 1.94 1 76 ARG 5.59 3.19 1 77 VAL 4.45 1.83 1 78 ASN 6.03 1.89 1 79 LEU 4.27 2.44 1 80 ARG 5.67 3.37 1 81 THR 5.96 1.86 1 82 LEU 5.42 0.02 1 83 LEU 4.57 2.73 1 85 TYR 1.99 2.48 1 86 TYR 2.98 -1.27 1 87 ASN 3.28 -0.51 1 88 GLN -2.21 -0.01 1 89 SER -0.68 0.53 1 90 ALA 1.33 0.55 1 93 THR -1.02 -1.79 1 94 HIS -4.77 -0.78 1 95 THR -3.08 -2.06 1 96 LEU -5.25 -3.78 1 97 GLN -5.96 -1.82 1 98 ARG -7.52 -2.04 1 99 MET -2.92 -2.63 1 100 TYR -4.87 -2.30 1 103 ASP -1.90 -0.34 1 104 VAL -3.46 -0.72 1 106 SER 3.89 -0.31 1 107 ASP -0.04 0.84 1 110 LEU 2.64 -1.38 1 111 LEU -0.68 -0.59 1 112 ARG -3.12 -2.46 1 114 TYR -4.60 -0.72 1 115 GLU 1.07 -2.98 1 116 GLN -1.80 -2.35 1 117 PHE -6.44 0.18 1 118 ALA -3.57 -2.26 1 119 TYR -4.44 -0.81 1 120 ASP 4.10 -0.75 1 123 ASP 3.39 -1.89 1 125 ILE -4.93 -3.92 1 126 ALA -5.04 -2.35 1 127 LEU -0.35 -0.50 1 128 ASN 0.84 0.41 1 129 GLU 3.43 -0.46 1 130 ASP 1.78 -0.76 1 132 ARG -3.18 -1.21 1 133 THR -5.60 -2.89 1 135 THR 1.03 -1.07 1 136 ALA -3.62 -1.62 1 137 ALA 0.65 -0.93 1 138 ASP -2.01 -0.29 1 139 MET 4.32 2.14 1 140 ALA 4.02 0.26 1 141 ALA 1.28 1.98 1 142 GLN 5.10 2.75 1 143 ILE 6.22 3.01 1 144 THR 6.29 -0.27 1 145 ARG 5.91 0.61 1 146 ARG 5.22 3.09 1 147 LYS 5.11 3.41 1 148 TRP 5.26 4.72 1 149 GLU 4.33 3.22 1 150 GLN 4.57 1.64 1 151 ALA -0.29 -0.01 1 153 ALA 4.55 0.68 1 154 ALA 5.75 -0.12 1 155 GLU 3.45 2.34 1 156 TYR 3.83 1.73 1 157 TYR 6.60 1.40 1 158 ARG 6.63 0.44 1 159 ALA 4.33 3.75 1 160 TYR 4.47 0.53 1 161 LEU 3.28 -1.45 1 162 GLU -0.04 0.61 1 164 GLU 3.31 0.38 1 166 VAL 4.35 1.71 1 167 GLU 3.12 3.89 1 168 TRP 6.78 0.18 1 169 LEU 6.48 0.56 1 170 HIS 5.59 3.62 1 171 ARG 5.39 1.92 1 172 TYR 2.60 3.47 1 173 LEU 3.91 1.83 1 174 LYS 4.82 3.31 1 175 ASN 3.43 1.77 1 177 ASN 1.40 -0.67 1 178 ALA -0.04 -0.07 1 179 THR 0.56 -0.96 1 stop_ save_