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 bmr27506_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.46 _LACS_plot.Line_1_terminator_val_y_1 -3.05 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.97 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.16 _LACS_plot.Line_2_terminator_val_x_2 5.33 _LACS_plot.Line_2_terminator_val_y_2 3.81 _LACS_plot.Y_axis_chem_shift_offset -0.16 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 50 ILE -4.97 0.23 0 14 THR -0.16 -0.02 1 15 THR 0.12 0.13 1 16 VAL 0.68 0.51 1 35 GLU 0.40 0.53 1 36 TYR 1.11 1.01 1 37 SER 1.89 2.21 1 38 PHE -0.03 -0.75 1 39 ILE -3.16 -1.41 1 40 GLN -2.84 -1.81 1 41 PHE -1.76 0.03 1 42 VAL -5.10 -1.06 1 43 ASP -2.29 -2.80 1 45 LEU 2.43 2.23 1 46 THR -1.52 -0.69 1 48 ALA 0.05 0.61 1 49 GLN -4.47 -1.58 1 51 GLU -2.85 -1.73 1 53 ASN -0.59 0.42 1 54 VAL 3.43 1.86 1 55 TYR 0.48 -1.50 1 56 ALA 0.26 0.53 1 57 ASP -1.18 -0.91 1 58 ILE 1.83 0.93 1 59 ARG 4.82 3.20 1 60 ASP 2.54 2.63 1 61 ILE 4.63 1.31 1 62 GLN 4.21 4.11 1 63 GLU 3.70 3.05 1 64 ARG 4.12 3.78 1 65 PHE 3.26 1.20 1 67 GLU 3.38 2.88 1 68 VAL 5.22 4.30 1 69 ARG 5.33 4.76 1 70 LYS 4.30 3.65 1 71 LYS 3.38 2.50 1 72 MET 3.49 3.74 1 73 VAL 3.67 2.66 1 74 GLU 2.73 2.13 1 75 ASN -0.19 0.18 1 76 ASP 2.56 1.49 1 77 ASP 0.63 1.89 1 78 ILE -3.12 -0.92 1 79 GLU -0.74 -0.26 1 80 MET 4.91 2.36 1 81 GLN 3.39 2.06 1 82 ALA 1.35 1.00 1 83 LEU 3.55 2.29 1 85 SER 0.15 0.19 1 86 ASN -0.36 0.24 1 87 THR 0.13 -0.39 1 88 THR 0.72 1.16 1 89 ILE -4.04 -1.47 1 90 HIS -5.88 -1.29 1 91 ALA -4.31 -1.96 1 92 TYR -1.56 -1.85 1 93 PHE 3.12 1.06 1 97 TRP 0.39 -0.91 1 98 SER -3.35 -1.65 1 99 ASP 0.91 0.04 1 100 LYS -4.36 -2.33 1 101 ALA -7.46 -2.53 1 102 LEU -3.48 -1.54 1 103 LYS -2.83 -0.93 1 104 ILE -4.16 -1.92 1 105 ASP -1.29 -0.87 1 106 LEU -4.02 -1.81 1 107 MET -3.31 0.00 1 112 LEU 0.40 0.04 1 113 LYS 0.20 0.01 1 114 VAL 0.38 0.20 1 118 THR 0.08 0.42 1 119 ASN -0.37 1.82 1 121 ILE 0.09 -0.07 1 122 ALA -0.31 -0.08 1 123 LYS -0.33 -0.07 1 124 PHE 0.20 0.16 1 126 GLU 0.84 0.74 1 127 ARG 0.29 0.30 1 128 GLU -0.41 -0.12 1 129 LEU -0.27 -0.12 1 130 GLU -2.73 -0.95 1 131 LEU -1.78 -0.59 1 132 ARG -4.01 -1.06 1 133 GLN 2.09 1.10 1 134 THR 1.20 1.63 1 137 ALA -1.26 -0.61 1 138 VAL -4.47 -1.82 1 139 GLU -1.25 -0.25 1 140 VAL -5.52 -3.16 1 141 ASP -1.28 -0.11 1 142 VAL 4.93 3.28 1 143 LYS 3.81 1.99 1 144 ASP 0.27 0.44 1 145 ILE 2.38 1.55 1 147 ALA -1.79 -1.08 1 148 GLN 0.10 0.50 1 149 GLU -0.66 -0.12 1 150 VAL -0.52 -0.29 1 151 GLU -0.63 -0.14 1 152 HIS -0.88 1.03 1 153 GLU 0.61 1.66 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27506_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.46 _LACS_plot.Line_1_terminator_val_y_1 4.41 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.03 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.84 _LACS_plot.Line_2_terminator_val_x_2 5.33 _LACS_plot.Line_2_terminator_val_y_2 -1.52 _LACS_plot.Y_axis_chem_shift_offset -0.16 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 50 ILE -4.97 5.20 0 14 THR -0.16 0.14 1 15 THR 0.12 0.01 1 16 VAL 0.68 -0.17 1 35 GLU 0.40 0.13 1 36 TYR 1.11 -0.10 1 37 SER 1.89 0.32 1 38 PHE -0.03 -0.72 1 39 ILE -3.16 1.75 1 40 GLN -2.84 1.03 1 41 PHE -1.76 1.79 1 42 VAL -5.10 4.04 1 43 ASP -2.29 -0.51 1 45 LEU 2.43 -0.20 1 46 THR -1.52 0.83 1 48 ALA 0.05 0.56 1 49 GLN -4.47 2.89 1 51 GLU -2.85 1.12 1 53 ASN -0.59 1.01 1 54 VAL 3.43 -1.57 1 55 TYR 0.48 -1.98 1 56 ALA 0.26 0.27 1 57 ASP -1.18 0.27 1 58 ILE 1.83 -0.90 1 59 ARG 4.82 -1.62 1 60 ASP 2.54 0.09 1 61 ILE 4.63 -3.32 1 62 GLN 4.21 -0.10 1 63 GLU 3.70 -0.65 1 64 ARG 4.12 -0.34 1 65 PHE 3.26 -2.06 1 67 GLU 3.38 -0.50 1 68 VAL 5.22 -0.92 1 69 ARG 5.33 -0.57 1 70 LYS 4.30 -0.65 1 71 LYS 3.38 -0.88 1 72 MET 3.49 0.25 1 73 VAL 3.67 -1.01 1 74 GLU 2.73 -0.60 1 75 ASN -0.19 0.37 1 76 ASP 2.56 -1.07 1 77 ASP 0.63 1.26 1 78 ILE -3.12 2.20 1 79 GLU -0.74 0.48 1 80 MET 4.91 -2.55 1 81 GLN 3.39 -1.33 1 82 ALA 1.35 -0.35 1 83 LEU 3.55 -1.26 1 85 SER 0.15 0.04 1 86 ASN -0.36 0.60 1 87 THR 0.13 -0.52 1 88 THR 0.72 0.44 1 89 ILE -4.04 2.57 1 90 HIS -5.88 4.59 1 91 ALA -4.31 2.35 1 92 TYR -1.56 -0.29 1 93 PHE 3.12 -2.06 1 97 TRP 0.39 -1.30 1 98 SER -3.35 1.70 1 99 ASP 0.91 -0.87 1 100 LYS -4.36 2.03 1 101 ALA -7.46 4.93 1 102 LEU -3.48 1.94 1 103 LYS -2.83 1.90 1 104 ILE -4.16 2.24 1 105 ASP -1.29 0.42 1 106 LEU -4.02 2.21 1 107 MET -3.31 3.31 1 112 LEU 0.40 -0.36 1 113 LYS 0.20 -0.19 1 114 VAL 0.38 -0.18 1 118 THR 0.08 0.34 1 119 ASN -0.37 2.19 1 121 ILE 0.09 -0.16 1 122 ALA -0.31 0.23 1 123 LYS -0.33 0.26 1 124 PHE 0.20 -0.04 1 126 GLU 0.84 -0.10 1 127 ARG 0.29 0.01 1 128 GLU -0.41 0.29 1 129 LEU -0.27 0.15 1 130 GLU -2.73 1.78 1 131 LEU -1.78 1.19 1 132 ARG -4.01 2.95 1 133 GLN 2.09 -0.99 1 134 THR 1.20 0.43 1 137 ALA -1.26 0.65 1 138 VAL -4.47 2.65 1 139 GLU -1.25 1.00 1 140 VAL -5.52 2.36 1 141 ASP -1.28 1.17 1 142 VAL 4.93 -1.65 1 143 LYS 3.81 -1.82 1 144 ASP 0.27 0.17 1 145 ILE 2.38 -0.83 1 147 ALA -1.79 0.71 1 148 GLN 0.10 0.40 1 149 GLU -0.66 0.54 1 150 VAL -0.52 0.23 1 151 GLU -0.63 0.49 1 152 HIS -0.88 1.91 1 153 GLU 0.61 1.05 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27506_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.46 _LACS_plot.Line_1_terminator_val_y_1 0.68 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.16 _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 5.33 _LACS_plot.Line_2_terminator_val_y_2 -0.47 _LACS_plot.Y_axis_chem_shift_offset -0.02 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 49 GLN -4.47 1.68 0 14 THR -0.16 -0.10 1 15 THR 0.12 0.07 1 16 VAL 0.68 -0.01 1 37 SER 1.89 0.25 1 39 ILE -3.16 -0.10 1 40 GLN -2.84 0.58 1 41 PHE -1.76 0.89 1 42 VAL -5.10 0.85 1 43 ASP -2.29 -0.16 1 45 LEU 2.43 -0.12 1 46 THR -1.52 -0.19 1 48 ALA 0.05 -0.03 1 50 ILE -4.97 0.09 1 51 GLU -2.85 1.30 1 53 ASN -0.59 0.06 1 55 TYR 0.48 0.08 1 56 ALA 0.26 -0.24 1 57 ASP -1.18 0.04 1 58 ILE 1.83 -0.46 1 59 ARG 4.82 -0.24 1 60 ASP 2.54 -0.27 1 61 ILE 4.63 -1.04 1 62 GLN 4.21 -0.44 1 63 GLU 3.70 -0.30 1 67 GLU 3.38 -0.25 1 68 VAL 5.22 -0.38 1 69 ARG 5.33 -0.57 1 70 LYS 4.30 -0.40 1 71 LYS 3.38 -0.18 1 72 MET 3.49 -0.13 1 73 VAL 3.67 0.08 1 74 GLU 2.73 -0.24 1 75 ASN -0.19 0.00 1 76 ASP 2.56 -0.14 1 77 ASP 0.63 0.01 1 78 ILE -3.12 0.10 1 79 GLU -0.74 -0.08 1 81 GLN 3.39 -0.18 1 82 ALA 1.35 -0.10 1 83 LEU 3.55 -0.30 1 86 ASN -0.36 0.25 1 88 THR 0.72 0.44 1 89 ILE -4.04 0.18 1 90 HIS -5.88 0.74 1 91 ALA -4.31 0.31 1 92 TYR -1.56 0.51 1 93 PHE 3.12 -0.70 1 97 TRP 0.39 0.09 1 100 LYS -4.36 0.88 1 101 ALA -7.46 0.65 1 102 LEU -3.48 0.53 1 103 LYS -2.83 0.51 1 104 ILE -4.16 0.38 1 105 ASP -1.29 0.56 1 106 LEU -4.02 0.68 1 107 MET -3.31 0.42 1 112 LEU 0.40 -0.07 1 113 LYS 0.20 -0.02 1 114 VAL 0.38 -0.03 1 121 ILE 0.09 -0.03 1 122 ALA -0.31 -0.04 1 123 LYS -0.33 -0.13 1 126 GLU 0.84 -0.13 1 127 ARG 0.29 -0.01 1 128 GLU -0.41 -0.07 1 129 LEU -0.27 0.03 1 130 GLU -2.73 0.15 1 131 LEU -1.78 0.16 1 134 THR 1.20 0.01 1 137 ALA -1.26 0.23 1 138 VAL -4.47 0.28 1 139 GLU -1.25 0.62 1 140 VAL -5.52 0.54 1 141 ASP -1.28 0.37 1 142 VAL 4.93 -0.61 1 143 LYS 3.81 -0.20 1 144 ASP 0.27 0.03 1 145 ILE 2.38 -0.79 1 147 ALA -1.79 0.01 1 148 GLN 0.10 -0.08 1 149 GLU -0.66 -0.04 1 150 VAL -0.52 0.00 1 151 GLU -0.63 -0.09 1 152 HIS -0.88 -0.09 1 153 GLU 0.61 -0.25 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27506_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.46 _LACS_plot.Line_1_terminator_val_y_1 -2.99 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.62 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.90 _LACS_plot.Line_2_terminator_val_x_2 5.33 _LACS_plot.Line_2_terminator_val_y_2 1.89 _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 153 GLU 0.61 4.66 0 14 THR -0.16 0.21 1 15 THR 0.12 -0.02 1 16 VAL 0.68 0.35 1 35 GLU 0.40 -0.80 1 36 TYR 1.11 -2.17 1 37 SER 1.89 0.33 1 39 ILE -3.16 -2.34 1 40 GLN -2.84 -1.17 1 41 PHE -1.76 0.67 1 42 VAL -5.10 -2.37 1 43 ASP -2.29 0.26 1 45 LEU 2.43 -0.17 1 46 THR -1.52 1.42 1 48 ALA 0.05 -2.59 1 49 GLN -4.47 0.28 1 50 ILE -4.97 -2.23 1 51 GLU -2.85 -0.78 1 53 ASN -0.59 -0.08 1 54 VAL 3.43 -0.80 1 55 TYR 0.48 -0.44 1 56 ALA 0.26 -1.31 1 57 ASP -1.18 1.27 1 58 ILE 1.83 0.31 1 59 ARG 4.82 2.75 1 60 ASP 2.54 1.69 1 61 ILE 4.63 0.75 1 62 GLN 4.21 3.13 1 63 GLU 3.70 2.83 1 64 ARG 4.12 4.66 1 65 PHE 3.26 4.57 1 67 GLU 3.38 2.56 1 68 VAL 5.22 2.40 1 69 ARG 5.33 1.51 1 70 LYS 4.30 2.28 1 71 LYS 3.38 2.25 1 72 MET 3.49 2.23 1 73 VAL 3.67 3.15 1 74 GLU 2.73 0.69 1 75 ASN -0.19 -0.80 1 76 ASP 2.56 -0.84 1 77 ASP 0.63 0.24 1 78 ILE -3.12 -1.40 1 79 GLU -0.74 0.95 1 80 MET 4.91 2.30 1 81 GLN 3.39 0.99 1 82 ALA 1.35 1.39 1 83 LEU 3.55 1.19 1 85 SER 0.15 -0.61 1 86 ASN -0.36 -0.74 1 87 THR 0.13 -0.97 1 88 THR 0.72 -0.86 1 89 ILE -4.04 -1.94 1 90 HIS -5.88 -0.32 1 91 ALA -4.31 -3.53 1 92 TYR -1.56 -1.00 1 93 PHE 3.12 -0.58 1 97 TRP 0.39 -0.93 1 98 SER -3.35 -0.28 1 99 ASP 0.91 -1.19 1 100 LYS -4.36 -0.62 1 101 ALA -7.46 -3.11 1 102 LEU -3.48 -2.83 1 103 LYS -2.83 -0.76 1 104 ILE -4.16 -2.94 1 105 ASP -1.29 -1.24 1 106 LEU -4.02 -2.37 1 107 MET -3.31 -0.63 1 112 LEU 0.40 -0.39 1 113 LYS 0.20 -0.23 1 114 VAL 0.38 -0.36 1 119 ASN -0.37 0.35 1 121 ILE 0.09 -0.45 1 122 ALA -0.31 -0.78 1 123 LYS -0.33 -0.75 1 124 PHE 0.20 -0.49 1 126 GLU 0.84 0.17 1 127 ARG 0.29 -0.24 1 128 GLU -0.41 -0.46 1 129 LEU -0.27 -0.99 1 130 GLU -2.73 -0.80 1 137 ALA -1.26 -0.46 1 138 VAL -4.47 -2.13 1 139 GLU -1.25 -0.43 1 140 VAL -5.52 -1.98 1 141 ASP -1.28 1.81 1 142 VAL 4.93 2.18 1 143 LYS 3.81 -0.01 1 144 ASP 0.27 -0.01 1 145 ILE 2.38 -0.85 1 147 ALA -1.79 0.01 1 148 GLN 0.10 -0.02 1 149 GLU -0.66 -0.41 1 150 VAL -0.52 -0.56 1 151 GLU -0.63 -0.63 1 152 HIS -0.88 0.15 1 stop_ save_