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 bmr6184_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.20 _LACS_plot.Line_1_terminator_val_y_1 -2.92 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.13 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.83 _LACS_plot.Line_2_terminator_val_x_2 7.39 _LACS_plot.Line_2_terminator_val_y_2 4.58 _LACS_plot.Y_axis_chem_shift_offset 0.57 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 28 HIS -4.57 1.85 0 10 VAL 0.85 -1.40 1 11 LEU -5.77 -0.84 1 12 ASP -3.50 -0.94 1 13 THR -4.30 -1.87 1 14 GLU -4.62 -3.24 1 15 THR -4.71 -1.39 1 16 THR 2.75 2.16 1 18 MET -1.68 -0.90 1 19 ASN -1.84 -1.29 1 20 GLN 1.68 0.88 1 21 ILE -1.59 -1.50 1 23 ALA 2.13 -0.56 1 24 HIS 2.78 4.04 1 26 GLU 3.15 1.86 1 29 LYS -4.90 -3.78 1 30 ILE 2.75 1.70 1 31 ILE -0.27 -0.53 1 32 GLU -3.82 -1.14 1 33 ILE -2.85 -0.37 1 35 ALA -5.96 -1.97 1 36 VAL -5.88 -4.08 1 37 GLU -3.42 -0.90 1 38 VAL -2.53 -1.61 1 39 VAL -2.55 -1.16 1 40 ASN 3.66 0.89 1 41 ARG 7.21 1.99 1 42 ARG -3.18 -2.07 1 43 LEU 3.15 0.54 1 44 THR 0.82 0.43 1 46 ASN 1.85 -1.15 1 47 ASN -3.11 -1.11 1 48 PHE -4.07 -0.35 1 49 HIS -8.20 -1.84 1 50 VAL -4.93 -2.36 1 51 TYR -2.76 -0.81 1 52 LEU -5.23 -3.38 1 53 LYS -3.18 -2.98 1 56 ARG -0.16 -1.76 1 57 LEU 0.40 -1.00 1 58 VAL 0.50 1.05 1 59 ASP -0.51 0.70 1 61 GLU 3.52 2.25 1 62 ALA 2.87 1.58 1 65 VAL 2.85 1.96 1 66 HIS -2.21 -0.06 1 68 ILE 3.56 0.88 1 69 ALA -5.52 -1.77 1 71 GLU 6.67 4.99 1 72 PHE 1.41 0.92 1 73 LEU 0.69 -0.70 1 74 LEU 3.60 2.37 1 75 ASP -0.51 -1.96 1 76 LYS 2.06 -1.79 1 78 THR -3.46 -1.66 1 80 ALA 3.50 2.41 1 81 GLU 1.02 1.17 1 82 VAL -1.87 -1.79 1 83 ALA 4.07 3.51 1 84 ASP 5.58 3.79 1 85 GLU 3.59 2.58 1 87 MET 4.88 4.16 1 88 ASP 3.65 2.32 1 89 TYR 3.89 2.68 1 90 ILE 2.12 1.15 1 91 ARG 5.47 3.16 1 93 ALA -2.47 -1.57 1 94 GLU -2.48 -2.41 1 95 LEU -2.24 -2.33 1 96 VAL -0.34 -0.98 1 97 ILE -5.95 -1.96 1 98 HIS 1.38 2.69 1 99 ASN 3.44 0.16 1 100 ALA 2.30 2.34 1 101 ALA 3.94 2.29 1 102 PHE 3.58 2.32 1 103 ASP 4.21 3.02 1 104 ILE 5.14 0.75 1 106 PHE 5.59 5.18 1 107 MET 4.58 4.22 1 108 ASP 5.04 2.92 1 109 TYR 2.59 1.45 1 110 GLU 6.41 2.47 1 111 PHE 4.87 2.46 1 112 SER 4.89 3.10 1 113 LEU 2.71 1.00 1 114 LEU 2.47 0.05 1 115 LYS 5.52 0.60 1 116 ARG -2.06 -1.42 1 117 ASP 2.97 0.58 1 118 ILE 1.03 0.60 1 120 LYS 1.68 0.24 1 121 THR 7.39 5.61 1 122 ASN 2.86 0.64 1 123 THR 0.85 0.95 1 124 PHE -0.82 -1.63 1 126 LYS -0.90 -1.16 1 127 VAL 0.23 0.26 1 128 THR -0.31 -0.28 1 129 ASP -3.73 -3.38 1 130 SER 5.95 3.67 1 131 LEU 4.81 2.06 1 132 ALA 3.80 1.88 1 133 VAL 5.40 3.86 1 134 ALA 4.37 2.95 1 135 ARG 4.32 3.10 1 136 LYS 3.33 1.61 1 137 MET 2.45 2.31 1 141 LYS -2.56 -2.92 1 143 ASN -0.41 0.53 1 144 SER -1.16 -1.21 1 145 LEU 5.18 3.19 1 146 ASP 4.49 2.56 1 147 ALA 3.13 1.73 1 148 LEU 3.28 2.36 1 150 ALA 3.85 1.66 1 151 ARG 4.51 2.73 1 153 GLU 3.98 0.13 1 154 ILE 0.49 -1.41 1 155 ASP -0.82 -0.88 1 156 ASN 0.19 -0.44 1 157 SER 2.87 2.39 1 158 LYS 0.94 -1.31 1 159 ARG -0.62 -1.15 1 160 THR 0.54 -0.57 1 161 LEU -1.47 -1.78 1 162 HIS -4.70 -0.94 1 164 ALA 2.39 1.00 1 165 LEU 4.86 1.53 1 166 LEU 6.13 1.94 1 167 ASP 5.25 3.06 1 168 ALA 5.01 2.39 1 169 GLN 5.68 3.73 1 170 ILE 6.10 3.97 1 171 LEU 5.47 1.92 1 172 ALA 4.33 2.94 1 173 GLU 4.73 3.37 1 174 VAL 5.31 3.85 1 175 TYR 5.27 4.07 1 176 LEU 4.66 2.38 1 177 ALA 5.09 2.09 1 178 MET 1.76 2.98 1 179 THR -0.49 -0.82 1 185 MET 0.33 -0.34 1 186 ALA 0.66 0.92 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6184_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.20 _LACS_plot.Line_1_terminator_val_y_1 5.28 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -2.13 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.17 _LACS_plot.Line_2_terminator_val_x_2 7.39 _LACS_plot.Line_2_terminator_val_y_2 -2.81 _LACS_plot.Y_axis_chem_shift_offset 0.57 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 28 HIS -4.57 6.42 0 10 VAL 0.85 -2.25 1 11 LEU -5.77 4.93 1 12 ASP -3.50 2.56 1 13 THR -4.30 2.43 1 14 GLU -4.62 1.38 1 15 THR -4.71 3.32 1 16 THR 2.75 -0.59 1 18 MET -1.68 0.78 1 19 ASN -1.84 0.55 1 20 GLN 1.68 -0.80 1 21 ILE -1.59 0.09 1 23 ALA 2.13 -2.69 1 24 HIS 2.78 1.26 1 26 GLU 3.15 -1.29 1 29 LYS -4.90 1.12 1 30 ILE 2.75 -1.05 1 31 ILE -0.27 -0.26 1 32 GLU -3.82 2.68 1 33 ILE -2.85 2.48 1 35 ALA -5.96 3.99 1 36 VAL -5.88 1.80 1 37 GLU -3.42 2.52 1 38 VAL -2.53 0.92 1 39 VAL -2.55 1.39 1 40 ASN 3.66 -2.77 1 41 ARG 7.21 -5.22 1 42 ARG -3.18 1.11 1 43 LEU 3.15 -2.61 1 44 THR 0.82 -0.39 1 46 ASN 1.85 -3.00 1 47 ASN -3.11 2.00 1 48 PHE -4.07 3.72 1 49 HIS -8.20 6.36 1 50 VAL -4.93 2.57 1 51 TYR -2.76 1.95 1 52 LEU -5.23 1.85 1 53 LYS -3.18 0.20 1 56 ARG -0.16 -1.60 1 57 LEU 0.40 -1.40 1 58 VAL 0.50 0.55 1 59 ASP -0.51 1.21 1 61 GLU 3.52 -1.27 1 62 ALA 2.87 -1.29 1 65 VAL 2.85 -0.89 1 66 HIS -2.21 2.15 1 68 ILE 3.56 -2.68 1 69 ALA -5.52 3.75 1 71 GLU 6.67 -1.68 1 72 PHE 1.41 -0.49 1 73 LEU 0.69 -1.39 1 74 LEU 3.60 -1.23 1 75 ASP -0.51 -1.45 1 76 LYS 2.06 -3.85 1 78 THR -3.46 1.80 1 80 ALA 3.50 -1.09 1 81 GLU 1.02 0.15 1 82 VAL -1.87 0.08 1 83 ALA 4.07 -0.56 1 84 ASP 5.58 -1.79 1 85 GLU 3.59 -1.01 1 87 MET 4.88 -0.72 1 88 ASP 3.65 -1.33 1 89 TYR 3.89 -1.21 1 90 ILE 2.12 -0.97 1 91 ARG 5.47 -2.31 1 93 ALA -2.47 0.90 1 94 GLU -2.48 0.07 1 95 LEU -2.24 -0.09 1 96 VAL -0.34 -0.64 1 97 ILE -5.95 3.99 1 98 HIS 1.38 1.31 1 99 ASN 3.44 -3.28 1 100 ALA 2.30 0.04 1 101 ALA 3.94 -1.65 1 102 PHE 3.58 -1.26 1 103 ASP 4.21 -1.19 1 104 ILE 5.14 -4.39 1 106 PHE 5.59 -0.41 1 107 MET 4.58 -0.36 1 108 ASP 5.04 -2.12 1 109 TYR 2.59 -1.14 1 110 GLU 6.41 -3.94 1 111 PHE 4.87 -2.41 1 112 SER 4.89 -1.79 1 113 LEU 2.71 -1.71 1 114 LEU 2.47 -2.42 1 115 LYS 5.52 -4.92 1 116 ARG -2.06 0.64 1 117 ASP 2.97 -2.39 1 118 ILE 1.03 -0.43 1 120 LYS 1.68 -1.44 1 121 THR 7.39 -1.78 1 122 ASN 2.86 -2.22 1 123 THR 0.85 0.10 1 124 PHE -0.82 -0.81 1 126 LYS -0.90 -0.26 1 127 VAL 0.23 0.03 1 128 THR -0.31 0.03 1 129 ASP -3.73 0.35 1 130 SER 5.95 -2.28 1 131 LEU 4.81 -2.75 1 132 ALA 3.80 -1.92 1 133 VAL 5.40 -1.54 1 134 ALA 4.37 -1.42 1 135 ARG 4.32 -1.22 1 136 LYS 3.33 -1.72 1 137 MET 2.45 -0.14 1 141 LYS -2.56 -0.36 1 143 ASN -0.41 0.94 1 144 SER -1.16 -0.05 1 145 LEU 5.18 -1.99 1 146 ASP 4.49 -1.93 1 147 ALA 3.13 -1.40 1 148 LEU 3.28 -0.92 1 150 ALA 3.85 -2.19 1 151 ARG 4.51 -1.78 1 153 GLU 3.98 -3.85 1 154 ILE 0.49 -1.90 1 155 ASP -0.82 -0.06 1 156 ASN 0.19 -0.63 1 157 SER 2.87 -0.48 1 158 LYS 0.94 -2.25 1 159 ARG -0.62 -0.53 1 160 THR 0.54 -1.11 1 161 LEU -1.47 -0.31 1 162 HIS -4.70 3.76 1 164 ALA 2.39 -1.39 1 165 LEU 4.86 -3.33 1 166 LEU 6.13 -4.19 1 167 ASP 5.25 -2.19 1 168 ALA 5.01 -2.62 1 169 GLN 5.68 -1.95 1 170 ILE 6.10 -2.13 1 171 LEU 5.47 -3.55 1 172 ALA 4.33 -1.39 1 173 GLU 4.73 -1.36 1 174 VAL 5.31 -1.46 1 175 TYR 5.27 -1.20 1 176 LEU 4.66 -2.28 1 177 ALA 5.09 -3.00 1 178 MET 1.76 1.22 1 179 THR -0.49 -0.33 1 185 MET 0.33 -0.67 1 186 ALA 0.66 0.26 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6184_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -8.20 _LACS_plot.Line_1_terminator_val_y_1 -2.54 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.46 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.74 _LACS_plot.Line_2_terminator_val_x_2 7.39 _LACS_plot.Line_2_terminator_val_y_2 2.04 _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 41 ARG 7.21 -3.09 0 10 VAL 0.85 -0.81 1 11 LEU -5.77 -3.91 1 12 ASP -3.50 -2.58 1 13 THR -4.30 -0.67 1 14 GLU -4.62 1.06 1 15 THR -4.71 -0.59 1 16 THR 2.75 -2.67 1 18 MET -1.68 -2.64 1 21 ILE -1.59 -0.95 1 23 ALA 2.13 3.35 1 26 GLU 3.15 0.87 1 28 HIS -4.57 -0.46 1 29 LYS -4.90 0.57 1 30 ILE 2.75 -0.83 1 31 ILE -0.27 -1.80 1 32 GLU -3.82 -2.01 1 33 ILE -2.85 -1.98 1 35 ALA -5.96 -2.43 1 36 VAL -5.88 -1.82 1 37 GLU -3.42 -1.32 1 38 VAL -2.53 -1.06 1 39 VAL -2.55 0.69 1 40 ASN 3.66 -0.90 1 42 ARG -3.18 -1.10 1 43 LEU 3.15 1.11 1 44 THR 0.82 2.47 1 46 ASN 1.85 -1.94 1 47 ASN -3.11 -1.33 1 49 HIS -8.20 -1.43 1 50 VAL -4.93 -3.62 1 51 TYR -2.76 0.46 1 52 LEU -5.23 -3.23 1 56 ARG -0.16 -1.74 1 57 LEU 0.40 0.90 1 58 VAL 0.50 -0.33 1 61 GLU 3.52 2.60 1 62 ALA 2.87 1.86 1 65 VAL 2.85 0.77 1 66 HIS -2.21 3.21 1 68 ILE 3.56 -3.22 1 71 GLU 6.67 1.21 1 73 LEU 0.69 -0.20 1 74 LEU 3.60 -0.04 1 75 ASP -0.51 0.30 1 80 ALA 3.50 2.19 1 81 GLU 1.02 0.90 1 82 VAL -1.87 -0.23 1 83 ALA 4.07 0.54 1 84 ASP 5.58 1.74 1 85 GLU 3.59 3.07 1 87 MET 4.88 1.18 1 88 ASP 3.65 1.56 1 90 ILE 2.12 -0.16 1 91 ARG 5.47 1.43 1 93 ALA -2.47 -1.70 1 94 GLU -2.48 -1.70 1 96 VAL -0.34 -1.86 1 97 ILE -5.95 -1.13 1 98 HIS 1.38 2.23 1 99 ASN 3.44 -0.48 1 100 ALA 2.30 -0.89 1 101 ALA 3.94 3.17 1 103 ASP 4.21 2.59 1 104 ILE 5.14 1.45 1 106 PHE 5.59 1.93 1 107 MET 4.58 -0.08 1 110 GLU 6.41 4.45 1 111 PHE 4.87 4.97 1 112 SER 4.89 3.02 1 113 LEU 2.71 0.90 1 114 LEU 2.47 -0.59 1 115 LYS 5.52 -0.67 1 116 ARG -2.06 -1.13 1 117 ASP 2.97 -1.09 1 121 THR 7.39 0.77 1 122 ASN 2.86 0.89 1 127 VAL 0.23 -1.11 1 128 THR -0.31 -3.25 1 129 ASP -3.73 1.88 1 130 SER 5.95 2.62 1 131 LEU 4.81 0.25 1 132 ALA 3.80 3.39 1 133 VAL 5.40 1.68 1 135 ARG 4.32 1.98 1 137 MET 2.45 0.02 1 143 ASN -0.41 -1.40 1 144 SER -1.16 0.07 1 145 LEU 5.18 1.22 1 146 ASP 4.49 2.42 1 147 ALA 3.13 3.48 1 148 LEU 3.28 1.38 1 150 ALA 3.85 2.89 1 153 GLU 3.98 -1.08 1 154 ILE 0.49 -0.94 1 156 ASN 0.19 1.04 1 157 SER 2.87 0.51 1 158 LYS 0.94 -0.17 1 160 THR 0.54 -0.33 1 161 LEU -1.47 -3.16 1 162 HIS -4.70 1.55 1 164 ALA 2.39 1.52 1 165 LEU 4.86 -0.93 1 167 ASP 5.25 2.06 1 168 ALA 5.01 0.28 1 169 GLN 5.68 1.79 1 170 ILE 6.10 1.75 1 171 LEU 5.47 0.20 1 172 ALA 4.33 1.28 1 173 GLU 4.73 4.16 1 174 VAL 5.31 0.48 1 176 LEU 4.66 1.70 1 178 MET 1.76 1.40 1 179 THR -0.49 0.74 1 185 MET 0.33 -1.39 1 stop_ save_