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 bmr18807_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.73 _LACS_plot.Line_1_terminator_val_y_1 -2.84 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.77 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.39 _LACS_plot.Line_2_terminator_val_x_2 8.54 _LACS_plot.Line_2_terminator_val_y_2 6.31 _LACS_plot.Y_axis_chem_shift_offset -0.05 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 99 HIS 2.30 4.53 0 10 PHE -3.76 0.06 1 11 ASP 0.03 -0.39 1 12 GLN -5.39 -1.31 1 13 THR 1.46 0.92 1 14 LEU -4.96 -1.72 1 15 ILE 0.76 -0.71 1 16 ALA -7.01 -2.37 1 17 SER 0.30 0.07 1 18 LEU -2.22 -1.33 1 19 LEU -2.31 -0.85 1 20 GLN -3.44 -1.08 1 22 LEU 1.09 1.09 1 23 SER -1.57 -0.82 1 24 LEU 1.70 1.38 1 25 ASN 0.43 0.31 1 26 GLN -1.21 -0.12 1 28 ASP -0.68 -0.27 1 29 PHE -1.29 -0.07 1 30 LYS -1.92 -0.84 1 31 ALA -3.24 -1.24 1 32 TYR -2.78 -1.38 1 33 LYS -0.73 -0.52 1 34 THR -2.09 -1.34 1 35 LYS -0.87 -0.24 1 36 VAL -5.25 -2.96 1 37 LYS 0.13 -0.57 1 38 LEU -4.99 -1.81 1 39 LYS -5.31 -2.09 1 40 ILE -2.91 -1.42 1 41 SER -3.52 -1.43 1 42 GLU -4.33 -1.78 1 43 GLN -3.91 -1.94 1 44 ARG -3.22 -2.39 1 45 ASN 0.69 1.98 1 46 GLU 2.65 2.62 1 47 THR 3.59 2.80 1 48 SER -1.79 -0.03 1 50 GLU -1.49 -0.25 1 51 LYS 2.12 1.92 1 52 GLU -7.73 -2.55 1 53 LEU -6.60 -2.28 1 54 LYS -3.29 -0.87 1 55 PHE -4.08 -0.94 1 56 GLU -6.26 -1.24 1 57 ILE -5.30 -2.45 1 58 SER -3.94 -1.09 1 60 SER 2.84 2.01 1 61 ASP 0.09 -0.85 1 62 ASP -0.55 -0.20 1 63 PHE 2.22 1.03 1 66 LEU -1.80 0.10 1 67 PHE -6.22 -1.92 1 68 SER -5.11 -1.36 1 69 GLU -5.25 -0.36 1 70 THR -0.82 -0.26 1 71 LEU -4.42 -0.62 1 72 ASN -3.34 -2.37 1 73 ASN 4.42 4.47 1 74 GLU 4.27 3.61 1 75 LYS 1.85 3.30 1 76 TYR 3.99 4.04 1 77 GLN 4.64 3.11 1 78 ILE 3.98 3.32 1 79 LEU 2.86 3.14 1 80 ALA 4.71 2.69 1 81 ARG 3.52 2.55 1 82 ASP 3.19 2.43 1 83 HIS 0.19 1.35 1 84 ASP 2.96 1.25 1 85 LEU 2.55 -0.55 1 88 ASP 0.65 -1.27 1 89 PHE 1.03 1.07 1 90 ASP 2.86 2.42 1 91 ALA -0.12 0.30 1 92 PHE 8.54 6.04 1 94 LYS 4.47 3.40 1 95 VAL 4.80 3.80 1 96 ILE 4.23 2.40 1 97 ILE 6.58 5.08 1 98 GLN 4.92 3.52 1 100 LEU 1.57 1.66 1 101 LEU 0.24 0.14 1 103 LYS 0.37 0.27 1 104 ASN 0.44 0.52 1 105 ILE 0.39 0.23 1 106 VAL 0.54 0.20 1 107 LYS -0.20 0.00 1 108 ASN 0.10 0.18 1 109 LEU 0.69 0.50 1 110 GLU 0.09 0.23 1 111 GLU -0.20 0.13 1 112 ASP 0.25 0.41 1 114 GLU -0.04 0.15 1 115 VAL 1.79 1.30 1 116 ASP 0.62 0.66 1 117 ALA 1.82 1.49 1 118 ARG 2.16 1.41 1 119 LYS 1.12 0.89 1 120 LYS 0.78 0.58 1 121 ALA 0.47 0.39 1 123 TYR 0.51 0.50 1 124 HIS -0.84 0.94 1 125 GLU -1.03 -0.33 1 126 ILE -0.05 -0.11 1 127 ALA -0.43 -0.15 1 128 ASP -0.77 -0.05 1 131 LYS -0.68 -0.28 1 133 THR -2.34 -0.86 1 134 GLU -3.62 -1.04 1 135 ILE -2.87 -1.32 1 136 ASN -4.77 -1.89 1 137 ILE -2.60 -1.90 1 138 ILE -0.70 -0.57 1 139 LEU -1.73 -0.26 1 140 ASP -2.91 -0.84 1 141 ALA 3.70 3.16 1 142 GLU -0.23 -0.40 1 144 ASN 1.55 2.03 1 145 PHE -3.09 -1.44 1 147 SER -1.00 -1.05 1 148 PHE -2.32 -1.06 1 149 GLU -5.15 -1.97 1 150 LEU -6.86 -3.86 1 151 PHE -4.06 -1.33 1 152 SER -2.06 -1.40 1 153 LYS -0.42 -0.36 1 154 THR 0.75 0.14 1 156 GLU 0.97 0.77 1 157 SER -1.29 -0.71 1 158 LYS -0.21 0.00 1 160 LYS 1.91 0.83 1 161 ILE 0.90 0.84 1 163 SER -4.02 -2.16 1 164 ILE -3.88 -1.28 1 165 LYS -0.31 -0.66 1 166 LEU -3.62 -1.61 1 167 HIS -2.13 1.17 1 168 ALA 1.21 0.65 1 169 VAL 1.58 0.68 1 170 ARG -0.31 0.87 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18807_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.73 _LACS_plot.Line_1_terminator_val_y_1 4.89 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.23 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.61 _LACS_plot.Line_2_terminator_val_x_2 8.54 _LACS_plot.Line_2_terminator_val_y_2 -2.23 _LACS_plot.Y_axis_chem_shift_offset -0.05 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 99 HIS 2.30 2.23 0 10 PHE -3.76 3.82 1 11 ASP 0.03 -0.42 1 12 GLN -5.39 4.08 1 13 THR 1.46 -0.54 1 14 LEU -4.96 3.24 1 15 ILE 0.76 -1.47 1 16 ALA -7.01 4.64 1 17 SER 0.30 -0.23 1 18 LEU -2.22 0.89 1 19 LEU -2.31 1.46 1 20 GLN -3.44 2.36 1 22 LEU 1.09 0.00 1 23 SER -1.57 0.75 1 24 LEU 1.70 -0.32 1 25 ASN 0.43 -0.12 1 26 GLN -1.21 1.09 1 28 ASP -0.68 0.41 1 29 PHE -1.29 1.22 1 30 LYS -1.92 1.08 1 31 ALA -3.24 2.00 1 32 TYR -2.78 1.40 1 33 LYS -0.73 0.21 1 34 THR -2.09 0.75 1 35 LYS -0.87 0.63 1 36 VAL -5.25 2.29 1 37 LYS 0.13 -0.70 1 38 LEU -4.99 3.18 1 39 LYS -5.31 3.22 1 40 ILE -2.91 1.49 1 41 SER -3.52 2.09 1 42 GLU -4.33 2.55 1 43 GLN -3.91 1.97 1 44 ARG -3.22 0.83 1 45 ASN 0.69 1.29 1 46 GLU 2.65 -0.03 1 47 THR 3.59 -0.79 1 48 SER -1.79 1.76 1 50 GLU -1.49 1.24 1 51 LYS 2.12 -0.20 1 52 GLU -7.73 5.18 1 53 LEU -6.60 4.32 1 54 LYS -3.29 2.42 1 55 PHE -4.08 3.14 1 56 GLU -6.26 5.02 1 57 ILE -5.30 2.85 1 58 SER -3.94 2.85 1 60 SER 2.84 -0.83 1 61 ASP 0.09 -0.94 1 62 ASP -0.55 0.35 1 63 PHE 2.22 -1.19 1 66 LEU -1.80 1.90 1 67 PHE -6.22 4.30 1 68 SER -5.11 3.75 1 69 GLU -5.25 4.89 1 70 THR -0.82 0.56 1 71 LEU -4.42 3.80 1 72 ASN -3.34 0.97 1 73 ASN 4.42 0.05 1 74 GLU 4.27 -0.66 1 75 LYS 1.85 1.45 1 76 TYR 3.99 0.05 1 77 GLN 4.64 -1.53 1 78 ILE 3.98 -0.66 1 79 LEU 2.86 0.28 1 80 ALA 4.71 -2.02 1 81 ARG 3.52 -0.97 1 82 ASP 3.19 -0.76 1 83 HIS 0.19 1.16 1 84 ASP 2.96 -1.71 1 85 LEU 2.55 -3.10 1 88 ASP 0.65 -1.92 1 89 PHE 1.03 0.04 1 90 ASP 2.86 -0.44 1 91 ALA -0.12 0.42 1 92 PHE 8.54 -2.50 1 94 LYS 4.47 -1.07 1 95 VAL 4.80 -1.00 1 96 ILE 4.23 -1.83 1 97 ILE 6.58 -1.50 1 98 GLN 4.92 -1.40 1 100 LEU 1.57 0.09 1 101 LEU 0.24 -0.10 1 103 LYS 0.37 -0.10 1 104 ASN 0.44 0.08 1 105 ILE 0.39 -0.16 1 106 VAL 0.54 -0.34 1 107 LYS -0.20 0.20 1 108 ASN 0.10 0.08 1 109 LEU 0.69 -0.19 1 110 GLU 0.09 0.14 1 111 GLU -0.20 0.33 1 112 ASP 0.25 0.16 1 114 GLU -0.04 0.19 1 115 VAL 1.79 -0.49 1 116 ASP 0.62 0.04 1 117 ALA 1.82 -0.33 1 118 ARG 2.16 -0.75 1 119 LYS 1.12 -0.23 1 120 LYS 0.78 -0.20 1 121 ALA 0.47 -0.08 1 123 TYR 0.51 -0.01 1 124 HIS -0.84 1.78 1 125 GLU -1.03 0.70 1 126 ILE -0.05 -0.06 1 127 ALA -0.43 0.28 1 128 ASP -0.77 0.72 1 131 LYS -0.68 0.40 1 133 THR -2.34 1.48 1 134 GLU -3.62 2.58 1 135 ILE -2.87 1.55 1 136 ASN -4.77 2.88 1 137 ILE -2.60 0.70 1 138 ILE -0.70 0.13 1 139 LEU -1.73 1.47 1 140 ASP -2.91 2.07 1 141 ALA 3.70 -0.54 1 142 GLU -0.23 -0.17 1 144 ASN 1.55 0.48 1 145 PHE -3.09 1.65 1 147 SER -1.00 -0.05 1 148 PHE -2.32 1.26 1 149 GLU -5.15 3.18 1 150 LEU -6.86 3.00 1 151 PHE -4.06 2.73 1 152 SER -2.06 0.66 1 153 LYS -0.42 0.06 1 154 THR 0.75 -0.61 1 156 GLU 0.97 -0.20 1 157 SER -1.29 0.58 1 158 LYS -0.21 0.21 1 160 LYS 1.91 -1.08 1 161 ILE 0.90 -0.06 1 163 SER -4.02 1.86 1 164 ILE -3.88 2.60 1 165 LYS -0.31 -0.35 1 166 LEU -3.62 2.01 1 167 HIS -2.13 3.30 1 168 ALA 1.21 -0.56 1 169 VAL 1.58 -0.90 1 170 ARG -0.31 1.18 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18807_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.73 _LACS_plot.Line_1_terminator_val_y_1 -3.13 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.49 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.12 _LACS_plot.Line_2_terminator_val_x_2 6.58 _LACS_plot.Line_2_terminator_val_y_2 2.35 _LACS_plot.Y_axis_chem_shift_offset 0.28 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 97 ILE 6.58 0.78 0 140 ASP -2.91 1.77 0 52 GLU -7.73 -1.31 0 75 LYS 1.85 3.68 0 99 HIS 2.30 3.85 0 10 PHE -3.76 -2.27 1 11 ASP 0.03 -1.90 1 12 GLN -5.39 -1.48 1 13 THR 1.46 -0.70 1 14 LEU -4.96 -2.20 1 15 ILE 0.76 -1.37 1 16 ALA -7.01 -1.68 1 17 SER 0.30 -2.25 1 18 LEU -2.22 -2.25 1 19 LEU -2.31 -2.46 1 22 LEU 1.09 -0.14 1 23 SER -1.57 -0.38 1 24 LEU 1.70 -0.04 1 25 ASN 0.43 -0.73 1 28 ASP -0.68 -0.85 1 29 PHE -1.29 -0.21 1 30 LYS -1.92 -1.94 1 31 ALA -3.24 -0.72 1 32 TYR -2.78 -1.50 1 33 LYS -0.73 -0.17 1 34 THR -2.09 -2.80 1 35 LYS -0.87 0.37 1 36 VAL -5.25 -3.15 1 37 LYS 0.13 -1.74 1 38 LEU -4.99 -4.32 1 39 LYS -5.31 -0.25 1 40 ILE -2.91 -0.80 1 41 SER -3.52 -2.60 1 42 GLU -4.33 -1.68 1 43 GLN -3.91 -2.18 1 44 ARG -3.22 -0.34 1 45 ASN 0.69 2.28 1 46 GLU 2.65 0.25 1 47 THR 3.59 1.11 1 48 SER -1.79 1.98 1 50 GLU -1.49 -0.76 1 51 LYS 2.12 -1.23 1 53 LEU -6.60 -2.76 1 54 LYS -3.29 -1.53 1 55 PHE -4.08 -0.70 1 56 GLU -6.26 -1.40 1 57 ILE -5.30 -2.40 1 58 SER -3.94 -1.30 1 60 SER 2.84 -0.20 1 61 ASP 0.09 -1.20 1 62 ASP -0.55 0.10 1 66 LEU -1.80 -2.98 1 67 PHE -6.22 -1.08 1 68 SER -5.11 -1.33 1 69 GLU -5.25 -2.12 1 70 THR -0.82 -0.85 1 71 LEU -4.42 -2.44 1 72 ASN -3.34 -0.38 1 73 ASN 4.42 1.39 1 74 GLU 4.27 2.93 1 76 TYR 3.99 -0.08 1 77 GLN 4.64 3.11 1 78 ILE 3.98 0.84 1 79 LEU 2.86 2.23 1 80 ALA 4.71 2.43 1 81 ARG 3.52 3.12 1 82 ASP 3.19 1.00 1 83 HIS 0.19 -0.60 1 84 ASP 2.96 -0.90 1 88 ASP 0.65 -2.29 1 89 PHE 1.03 1.41 1 90 ASP 2.86 1.52 1 91 ALA -0.12 0.64 1 94 LYS 4.47 2.57 1 95 VAL 4.80 2.13 1 96 ILE 4.23 0.48 1 98 GLN 4.92 3.00 1 100 LEU 1.57 0.30 1 101 LEU 0.24 -0.30 1 103 LYS 0.37 -0.43 1 104 ASN 0.44 -0.34 1 105 ILE 0.39 -0.33 1 106 VAL 0.54 -0.44 1 107 LYS -0.20 -0.60 1 108 ASN 0.10 0.00 1 109 LEU 0.69 0.00 1 110 GLU 0.09 0.30 1 111 GLU -0.20 -0.20 1 112 ASP 0.25 0.66 1 114 GLU -0.04 0.51 1 115 VAL 1.79 0.28 1 116 ASP 0.62 0.66 1 117 ALA 1.82 1.31 1 118 ARG 2.16 1.18 1 119 LYS 1.12 0.90 1 120 LYS 0.78 0.10 1 121 ALA 0.47 0.49 1 123 TYR 0.51 -0.30 1 124 HIS -0.84 0.40 1 125 GLU -1.03 -0.40 1 126 ILE -0.05 -0.65 1 127 ALA -0.43 -0.95 1 133 THR -2.34 -0.89 1 134 GLU -3.62 -2.47 1 135 ILE -2.87 -0.84 1 136 ASN -4.77 -1.63 1 137 ILE -2.60 -2.20 1 138 ILE -0.70 0.31 1 141 ALA 3.70 1.20 1 142 GLU -0.23 -0.80 1 144 ASN 1.55 0.92 1 145 PHE -3.09 -3.10 1 147 SER -1.00 -1.58 1 148 PHE -2.32 -2.56 1 149 GLU -5.15 -3.21 1 150 LEU -6.86 -2.82 1 151 PHE -4.06 -1.06 1 152 SER -2.06 0.20 1 153 LYS -0.42 -0.70 1 156 GLU 0.97 -0.20 1 157 SER -1.29 -1.00 1 158 LYS -0.21 -0.13 1 160 LYS 1.91 -0.33 1 161 ILE 0.90 -1.90 1 163 SER -4.02 -3.20 1 164 ILE -3.88 -4.30 1 165 LYS -0.31 -1.59 1 166 LEU -3.62 -1.71 1 167 HIS -2.13 1.73 1 168 ALA 1.21 -0.06 1 169 VAL 1.58 -1.35 1 stop_ save_