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 bmr16833_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.32 _LACS_plot.Line_1_terminator_val_y_1 -2.70 _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 -1.58 _LACS_plot.Line_2_terminator_val_x_2 7.21 _LACS_plot.Line_2_terminator_val_y_2 5.37 _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 139 PHE -6.78 -1.04 0 75 LYS 6.36 0.80 0 10 ASP 2.52 2.62 1 11 ASP 0.45 1.62 1 12 GLU -0.19 -0.15 1 13 LEU -2.51 0.44 1 14 SER -3.37 -3.32 1 15 SER -2.36 0.14 1 16 ASP 1.06 0.15 1 17 SER 2.73 1.53 1 18 PHE -2.02 -1.15 1 20 MET -3.64 -0.93 1 21 LYS -3.17 -0.52 1 22 LEU -0.09 -0.75 1 23 VAL 0.28 0.50 1 24 ASP 3.12 1.60 1 25 ASP 1.94 1.59 1 26 LEU -1.90 1.88 1 27 VAL -5.30 -1.80 1 28 TYR -3.57 -0.49 1 29 GLU -3.59 -2.10 1 30 PHE -4.94 -2.20 1 31 LYS 1.83 1.04 1 33 LYS -3.72 -0.87 1 34 HIS 1.94 2.53 1 35 VAL -5.00 -2.08 1 36 VAL -1.53 -0.76 1 37 ARG -2.30 -0.88 1 38 LYS -0.85 -0.37 1 39 GLU 1.65 0.53 1 41 GLU -1.63 -0.77 1 42 ILE 1.46 0.46 1 43 VAL -0.51 -0.36 1 44 LEU 0.51 -0.05 1 45 ALA 0.59 0.42 1 47 SER 0.12 0.23 1 48 ASN 0.18 0.31 1 50 SER 0.47 0.32 1 51 ALA 0.60 0.45 1 52 GLU 0.32 0.20 1 53 GLU 0.74 0.52 1 55 ALA -0.06 0.09 1 56 GLU 0.39 0.24 1 57 ASP 0.07 0.21 1 58 ASP 0.53 0.36 1 60 SER 0.60 0.64 1 61 ASP 0.42 0.28 1 62 GLU 0.77 0.62 1 63 HIS 1.35 0.92 1 64 VAL -1.31 -0.59 1 65 GLU -2.64 -0.92 1 66 ARG -2.39 -1.19 1 68 ILE -0.76 -1.20 1 69 ASP 7.21 4.33 1 70 ILE 3.92 4.67 1 71 VAL 3.83 2.98 1 72 LEU 3.09 2.06 1 73 ASN 3.38 3.13 1 74 HIS 2.88 1.24 1 76 LEU 0.21 -0.31 1 77 VAL -1.76 0.00 1 78 GLU 1.76 0.85 1 79 MET -2.40 -2.82 1 80 ASN 3.21 2.15 1 82 TYR 4.65 3.00 1 83 GLU 2.28 0.96 1 84 ASP -1.35 -1.10 1 85 ALA 4.85 3.25 1 87 MET 4.31 3.10 1 88 PHE 5.78 5.40 1 89 LYS 5.29 4.24 1 90 ALA 4.17 2.80 1 91 TYR 3.45 2.34 1 92 ILE 3.03 0.02 1 93 LYS 4.89 3.86 1 94 LYS 4.23 3.11 1 95 PHE 2.68 3.28 1 96 MET 5.30 4.94 1 97 LYS 4.94 3.45 1 98 ASN 4.60 2.70 1 99 VAL 6.97 5.49 1 100 ILE 6.92 5.38 1 101 ASP 4.20 3.42 1 102 HIS 5.04 5.72 1 103 MET 2.97 4.51 1 104 GLU 4.34 3.14 1 105 LYS 4.48 2.61 1 106 ASN 1.09 0.65 1 107 ASN 3.51 1.29 1 108 ARG 1.43 -1.57 1 109 ASP -0.05 0.62 1 110 LYS 5.04 3.77 1 111 ALA 3.93 2.77 1 112 ASP 4.13 2.86 1 113 VAL 5.80 4.77 1 114 ASP 4.49 3.62 1 115 ALA 3.96 2.90 1 116 PHE 4.57 4.29 1 117 LYS 4.77 4.08 1 118 LYS 3.98 3.27 1 119 LYS 3.43 3.59 1 120 ILE 4.26 1.57 1 121 GLN 5.49 3.98 1 123 TRP 5.14 3.93 1 124 VAL 6.38 5.20 1 125 VAL 6.14 4.79 1 126 SER 3.54 2.65 1 127 LEU 3.35 2.96 1 128 LEU 0.23 0.28 1 129 ALA 1.16 0.68 1 130 LYS 4.78 3.99 1 131 ASP 2.61 1.61 1 132 ARG 2.16 2.62 1 133 PHE 5.07 5.15 1 134 LYS 3.23 1.14 1 135 ASN -0.16 -0.11 1 136 LEU -1.36 -1.62 1 137 ALA -5.58 -1.80 1 138 PHE -2.06 0.47 1 140 ILE -4.45 -2.04 1 142 GLU 3.31 4.03 1 143 ARG 6.12 3.32 1 145 ALA 3.68 2.21 1 146 GLU 0.00 -0.36 1 148 ALA 1.68 0.71 1 149 GLU -1.18 0.60 1 150 ASN 5.03 2.03 1 152 GLN 0.14 0.29 1 153 VAL -0.25 -0.63 1 154 ALA -0.64 -0.83 1 155 ILE -2.62 -0.42 1 156 ILE -1.75 -2.43 1 157 GLU -6.82 -3.60 1 158 TYR 2.84 0.76 1 159 ARG -0.88 0.15 1 160 ASP -0.19 0.26 1 161 VAL 0.42 -0.33 1 162 ASP 2.54 1.47 1 164 THR -1.60 -0.36 1 165 GLU -0.61 -0.07 1 166 VAL -1.57 0.02 1 168 THR -1.49 0.21 1 169 LEU -2.23 -0.58 1 170 MET -3.07 -0.16 1 171 LEU -7.32 -2.28 1 172 VAL 2.73 2.15 1 173 LYS 6.43 4.27 1 174 GLU 2.18 1.16 1 175 ALA -3.52 -2.12 1 176 ILE -5.17 -4.14 1 177 ILE -4.54 -2.06 1 178 GLU -2.88 -1.94 1 179 GLU -4.75 -1.62 1 180 LYS -0.13 -0.54 1 182 LEU 1.08 0.48 1 183 GLU -0.40 -0.16 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr16833_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.32 _LACS_plot.Line_1_terminator_val_y_1 4.62 _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 0.42 _LACS_plot.Line_2_terminator_val_x_2 7.21 _LACS_plot.Line_2_terminator_val_y_2 -1.84 _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 139 PHE -6.78 5.74 0 75 LYS 6.36 -5.56 0 10 ASP 2.52 0.10 1 11 ASP 0.45 1.17 1 12 GLU -0.19 0.04 1 13 LEU -2.51 2.95 1 14 SER -3.37 0.05 1 15 SER -2.36 2.50 1 16 ASP 1.06 -0.91 1 17 SER 2.73 -1.20 1 18 PHE -2.02 0.87 1 20 MET -3.64 2.71 1 21 LYS -3.17 2.65 1 22 LEU -0.09 -0.66 1 23 VAL 0.28 0.22 1 24 ASP 3.12 -1.52 1 25 ASP 1.94 -0.35 1 26 LEU -1.90 3.78 1 27 VAL -5.30 3.50 1 28 TYR -3.57 3.08 1 29 GLU -3.59 1.49 1 30 PHE -4.94 2.74 1 31 LYS 1.83 -0.79 1 33 LYS -3.72 2.85 1 34 HIS 1.94 0.59 1 35 VAL -5.00 2.92 1 36 VAL -1.53 0.77 1 37 ARG -2.30 1.42 1 38 LYS -0.85 0.48 1 39 GLU 1.65 -1.12 1 41 GLU -1.63 0.86 1 42 ILE 1.46 -1.00 1 43 VAL -0.51 0.15 1 44 LEU 0.51 -0.56 1 45 ALA 0.59 -0.17 1 47 SER 0.12 0.11 1 48 ASN 0.18 0.13 1 50 SER 0.47 -0.15 1 51 ALA 0.60 -0.15 1 52 GLU 0.32 -0.12 1 53 GLU 0.74 -0.22 1 55 ALA -0.06 0.15 1 56 GLU 0.39 -0.15 1 57 ASP 0.07 0.14 1 58 ASP 0.53 -0.17 1 60 SER 0.60 0.04 1 61 ASP 0.42 -0.14 1 62 GLU 0.77 -0.15 1 63 HIS 1.35 -0.43 1 64 VAL -1.31 0.72 1 65 GLU -2.64 1.72 1 66 ARG -2.39 1.20 1 68 ILE -0.76 -0.44 1 69 ASP 7.21 -2.88 1 70 ILE 3.92 0.75 1 71 VAL 3.83 -0.85 1 72 LEU 3.09 -1.03 1 73 ASN 3.38 -0.25 1 74 HIS 2.88 -1.64 1 76 LEU 0.21 -0.52 1 77 VAL -1.76 1.76 1 78 GLU 1.76 -0.91 1 79 MET -2.40 -0.42 1 80 ASN 3.21 -1.06 1 82 TYR 4.65 -1.65 1 83 GLU 2.28 -1.32 1 84 ASP -1.35 0.25 1 85 ALA 4.85 -1.60 1 87 MET 4.31 -1.21 1 88 PHE 5.78 -0.38 1 89 LYS 5.29 -1.05 1 90 ALA 4.17 -1.37 1 91 TYR 3.45 -1.11 1 92 ILE 3.03 -3.01 1 93 LYS 4.89 -1.03 1 94 LYS 4.23 -1.12 1 95 PHE 2.68 0.60 1 96 MET 5.30 -0.36 1 97 LYS 4.94 -1.49 1 98 ASN 4.60 -1.90 1 99 VAL 6.97 -1.48 1 100 ILE 6.92 -1.54 1 101 ASP 4.20 -0.78 1 102 HIS 5.04 0.68 1 103 MET 2.97 1.54 1 104 GLU 4.34 -1.20 1 105 LYS 4.48 -1.87 1 106 ASN 1.09 -0.44 1 107 ASN 3.51 -2.22 1 108 ARG 1.43 -3.00 1 109 ASP -0.05 0.67 1 110 LYS 5.04 -1.27 1 111 ALA 3.93 -1.16 1 112 ASP 4.13 -1.27 1 113 VAL 5.80 -1.03 1 114 ASP 4.49 -0.87 1 115 ALA 3.96 -1.06 1 116 PHE 4.57 -0.28 1 117 LYS 4.77 -0.69 1 118 LYS 3.98 -0.71 1 119 LYS 3.43 0.16 1 120 ILE 4.26 -2.69 1 121 GLN 5.49 -1.51 1 123 TRP 5.14 -1.21 1 124 VAL 6.38 -1.18 1 125 VAL 6.14 -1.35 1 126 SER 3.54 -0.89 1 127 LEU 3.35 -0.39 1 128 LEU 0.23 0.05 1 129 ALA 1.16 -0.48 1 130 LYS 4.78 -0.79 1 131 ASP 2.61 -1.00 1 132 ARG 2.16 0.46 1 133 PHE 5.07 0.08 1 134 LYS 3.23 -2.09 1 135 ASN -0.16 0.05 1 136 LEU -1.36 -0.26 1 137 ALA -5.58 3.78 1 138 PHE -2.06 2.53 1 140 ILE -4.45 2.41 1 142 GLU 3.31 0.72 1 143 ARG 6.12 -2.80 1 145 ALA 3.68 -1.47 1 146 GLU 0.00 -0.36 1 148 ALA 1.68 -0.97 1 149 GLU -1.18 1.78 1 150 ASN 5.03 -3.00 1 152 GLN 0.14 0.15 1 153 VAL -0.25 -0.38 1 154 ALA -0.64 -0.19 1 155 ILE -2.62 2.20 1 156 ILE -1.75 -0.68 1 157 GLU -6.82 3.22 1 158 TYR 2.84 -2.08 1 159 ARG -0.88 1.03 1 160 ASP -0.19 0.45 1 161 VAL 0.42 -0.75 1 162 ASP 2.54 -1.07 1 164 THR -1.60 1.24 1 165 GLU -0.61 0.54 1 166 VAL -1.57 1.59 1 168 THR -1.49 1.70 1 169 LEU -2.23 1.65 1 170 MET -3.07 2.91 1 171 LEU -7.32 5.04 1 172 VAL 2.73 -0.58 1 173 LYS 6.43 -2.16 1 174 GLU 2.18 -1.02 1 175 ALA -3.52 1.40 1 176 ILE -5.17 1.03 1 177 ILE -4.54 2.48 1 178 GLU -2.88 0.94 1 179 GLU -4.75 3.13 1 180 LYS -0.13 -0.41 1 182 LEU 1.08 -0.60 1 183 GLU -0.40 0.24 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr16833_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.32 _LACS_plot.Line_1_terminator_val_y_1 -2.73 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.80 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.80 _LACS_plot.Line_2_terminator_val_x_2 7.21 _LACS_plot.Line_2_terminator_val_y_2 2.78 _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 82 TYR 4.65 -4.54 0 10 ASP 2.52 -0.97 1 11 ASP 0.45 0.76 1 12 GLU -0.19 -1.20 1 13 LEU -2.51 -3.93 1 14 SER -3.37 -0.39 1 15 SER -2.36 -1.03 1 16 ASP 1.06 0.85 1 17 SER 2.73 -2.22 1 20 MET -3.64 -0.76 1 21 LYS -3.17 -2.81 1 22 LEU -0.09 -1.17 1 23 VAL 0.28 0.36 1 24 ASP 3.12 -1.91 1 25 ASP 1.94 -0.96 1 26 LEU -1.90 -1.90 1 27 VAL -5.30 -0.24 1 28 TYR -3.57 -0.83 1 29 GLU -3.59 0.23 1 30 PHE -4.94 1.06 1 31 LYS 1.83 -1.10 1 33 LYS -3.72 -0.58 1 34 HIS 1.94 1.95 1 35 VAL -5.00 -1.40 1 36 VAL -1.53 -0.71 1 37 ARG -2.30 -1.03 1 38 LYS -0.85 -0.11 1 39 GLU 1.65 0.44 1 41 GLU -1.63 -0.41 1 42 ILE 1.46 0.07 1 43 VAL -0.51 -0.26 1 44 LEU 0.51 -0.24 1 45 ALA 0.59 0.65 1 47 SER 0.12 -0.49 1 50 SER 0.47 0.15 1 51 ALA 0.60 0.30 1 52 GLU 0.32 0.41 1 53 GLU 0.74 0.84 1 55 ALA -0.06 0.34 1 56 GLU 0.39 0.01 1 57 ASP 0.07 0.04 1 58 ASP 0.53 1.18 1 60 SER 0.60 0.38 1 61 ASP 0.42 0.19 1 62 GLU 0.77 0.06 1 63 HIS 1.35 0.41 1 64 VAL -1.31 -0.71 1 65 GLU -2.64 -1.48 1 66 ARG -2.39 -0.12 1 68 ILE -0.76 0.04 1 69 ASP 7.21 2.82 1 70 ILE 3.92 0.63 1 71 VAL 3.83 2.65 1 72 LEU 3.09 3.26 1 73 ASN 3.38 1.78 1 74 HIS 2.88 -1.66 1 75 LYS 6.36 -1.21 1 76 LEU 0.21 0.06 1 77 VAL -1.76 -0.37 1 78 GLU 1.76 0.15 1 79 MET -2.40 -1.67 1 80 ASN 3.21 2.86 1 83 GLU 2.28 1.67 1 84 ASP -1.35 0.00 1 85 ALA 4.85 1.99 1 87 MET 4.31 3.74 1 88 PHE 5.78 1.23 1 89 LYS 5.29 2.30 1 90 ALA 4.17 3.22 1 91 TYR 3.45 1.20 1 92 ILE 3.03 1.24 1 93 LYS 4.89 2.88 1 94 LYS 4.23 1.18 1 95 PHE 2.68 1.90 1 96 MET 5.30 1.51 1 97 LYS 4.94 1.90 1 98 ASN 4.60 4.13 1 99 VAL 6.97 1.43 1 100 ILE 6.92 1.89 1 101 ASP 4.20 2.72 1 102 HIS 5.04 3.98 1 103 MET 2.97 2.91 1 104 GLU 4.34 5.35 1 105 LYS 4.48 1.05 1 106 ASN 1.09 -1.33 1 107 ASN 3.51 0.08 1 108 ARG 1.43 0.33 1 109 ASP -0.05 1.45 1 110 LYS 5.04 1.81 1 111 ALA 3.93 3.63 1 112 ASP 4.13 3.42 1 113 VAL 5.80 1.85 1 114 ASP 4.49 3.21 1 115 ALA 3.96 1.84 1 116 PHE 4.57 0.69 1 117 LYS 4.77 2.53 1 118 LYS 3.98 3.79 1 119 LYS 3.43 4.12 1 120 ILE 4.26 0.97 1 121 GLN 5.49 2.83 1 123 TRP 5.14 2.46 1 124 VAL 6.38 1.55 1 125 VAL 6.14 2.79 1 126 SER 3.54 2.86 1 127 LEU 3.35 -1.35 1 128 LEU 0.23 0.91 1 129 ALA 1.16 2.02 1 130 LYS 4.78 1.76 1 131 ASP 2.61 -0.48 1 132 ARG 2.16 1.81 1 133 PHE 5.07 2.14 1 134 LYS 3.23 -0.02 1 135 ASN -0.16 -1.62 1 136 LEU -1.36 -1.74 1 137 ALA -5.58 -2.93 1 138 PHE -2.06 -1.14 1 139 PHE -6.78 -1.59 1 140 ILE -4.45 -0.62 1 142 GLU 3.31 3.06 1 143 ARG 6.12 6.05 1 145 ALA 3.68 1.60 1 146 GLU 0.00 0.24 1 148 ALA 1.68 0.01 1 149 GLU -1.18 -0.18 1 150 ASN 5.03 -0.66 1 152 GLN 0.14 -0.93 1 153 VAL -0.25 -1.07 1 154 ALA -0.64 -2.22 1 155 ILE -2.62 -0.79 1 156 ILE -1.75 -2.66 1 157 GLU -6.82 0.08 1 158 TYR 2.84 -0.91 1 159 ARG -0.88 -1.33 1 160 ASP -0.19 0.00 1 161 VAL 0.42 -0.18 1 162 ASP 2.54 -0.06 1 164 THR -1.60 -2.13 1 165 GLU -0.61 -0.20 1 166 VAL -1.57 0.09 1 168 THR -1.49 -1.33 1 169 LEU -2.23 -1.91 1 170 MET -3.07 -1.09 1 171 LEU -7.32 -1.66 1 172 VAL 2.73 0.70 1 173 LYS 6.43 2.06 1 174 GLU 2.18 -0.41 1 175 ALA -3.52 -1.91 1 176 ILE -5.17 -0.67 1 177 ILE -4.54 -2.22 1 178 GLU -2.88 -0.76 1 179 GLU -4.75 -2.01 1 180 LYS -0.13 -0.15 1 182 LEU 1.08 -0.22 1 183 GLU -0.40 -0.49 1 stop_ save_