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 bmr34423_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.58 _LACS_plot.Line_1_terminator_val_y_1 -2.68 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.91 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.34 _LACS_plot.Line_2_terminator_val_x_2 5.61 _LACS_plot.Line_2_terminator_val_y_2 4.60 _LACS_plot.Y_axis_chem_shift_offset -0.19 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 52 HIS -1.02 3.57 0 14 ASP 0.02 0.40 1 15 MET 0.11 0.36 1 16 VAL 0.48 0.41 1 17 THR -0.53 -0.06 1 18 ASP 0.62 0.57 1 19 LEU 3.55 3.08 1 20 ASP 4.35 1.92 1 21 VAL 4.29 3.91 1 22 LYS 4.37 4.29 1 24 LEU 3.75 2.96 1 27 ASP 4.01 3.33 1 28 PHE 0.88 2.64 1 30 ASP 2.50 2.82 1 31 LEU 1.38 2.16 1 32 VAL 2.72 1.90 1 33 THR -0.42 -0.21 1 34 LYS -0.88 -0.71 1 35 SER -0.18 0.26 1 37 ASP 0.65 0.22 1 38 SER -0.10 0.03 1 39 VAL 3.56 2.80 1 40 ASN 1.86 1.88 1 41 SER 3.95 3.83 1 42 GLU 3.57 3.50 1 43 HIS 2.69 4.14 1 44 GLU 3.46 3.26 1 45 LEU 3.64 3.23 1 46 ALA 3.91 3.29 1 47 HIS 3.15 4.29 1 48 PHE 2.13 3.20 1 49 LEU 1.10 2.01 1 53 ASP 1.92 2.07 1 55 GLU -1.53 0.15 1 56 ILE -1.86 -0.49 1 57 TYR -5.07 -1.63 1 58 VAL -1.58 0.11 1 59 ASN 3.48 1.55 1 61 LYS -3.37 -1.75 1 62 ILE 0.15 -0.11 1 63 GLN -5.45 -3.02 1 64 THR -2.72 -1.19 1 66 THR 5.61 4.88 1 67 ALA 2.62 2.69 1 68 PHE 3.60 3.86 1 69 LEU 3.96 2.55 1 70 GLN 5.29 3.65 1 71 PHE 3.13 2.07 1 72 PHE 4.36 3.24 1 73 ARG 3.50 3.11 1 74 GLN 0.59 0.45 1 76 LEU 2.54 2.13 1 77 PHE -0.30 -0.86 1 78 LYS 3.43 3.54 1 79 LYS 3.29 1.83 1 80 LEU 0.41 0.63 1 81 LYS 2.37 1.92 1 82 ASP 2.87 1.38 1 83 ALA -1.92 0.15 1 95 GLU 0.16 0.27 1 97 GLU -3.87 -0.81 1 99 TYR -4.86 -0.17 1 100 LYS -3.22 -1.04 1 104 LYS -5.05 -1.37 1 105 SER -1.64 0.06 1 106 ALA 0.58 0.33 1 107 ALA -0.69 -0.06 1 108 GLN -3.93 -1.19 1 109 ARG 0.27 0.57 1 110 SER -2.17 -1.10 1 111 HIS 1.81 3.39 1 112 ASP 0.67 -0.89 1 113 GLN 4.21 1.50 1 114 LYS -2.30 -0.68 1 118 ASP -4.59 -1.13 1 119 GLU -7.25 -1.62 1 120 ALA -6.70 -2.06 1 121 GLU -7.58 -3.20 1 122 ALA -5.01 -2.12 1 123 TYR -0.95 -1.15 1 124 ILE -5.62 -1.87 1 125 TRP -6.22 -2.99 1 128 LYS 3.95 3.06 1 129 ASP 0.65 -0.47 1 131 SER -0.33 0.30 1 134 LEU 2.12 -0.80 1 135 HIS 0.83 2.91 1 136 SER -2.67 -1.22 1 137 VAL -4.79 -2.28 1 138 LYS -3.74 -1.25 1 139 PHE -2.54 -0.03 1 140 ILE 0.13 1.12 1 141 MET -1.10 -2.48 1 142 SER 1.94 0.69 1 143 LYS 1.61 1.03 1 144 ALA -5.45 -2.00 1 145 ALA -1.48 0.09 1 147 TYR -0.47 0.02 1 148 VAL -1.22 -0.61 1 149 ALA -0.28 -0.01 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr34423_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.58 _LACS_plot.Line_1_terminator_val_y_1 4.90 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.09 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.66 _LACS_plot.Line_2_terminator_val_x_2 5.61 _LACS_plot.Line_2_terminator_val_y_2 -1.01 _LACS_plot.Y_axis_chem_shift_offset -0.19 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 52 HIS -1.02 4.59 0 14 ASP 0.02 0.38 1 15 MET 0.11 0.25 1 16 VAL 0.48 -0.07 1 17 THR -0.53 0.47 1 18 ASP 0.62 -0.05 1 19 LEU 3.55 -0.47 1 20 ASP 4.35 -2.43 1 21 VAL 4.29 -0.38 1 22 LYS 4.37 -0.08 1 24 LEU 3.75 -0.79 1 27 ASP 4.01 -0.68 1 28 PHE 0.88 1.76 1 30 ASP 2.50 0.32 1 31 LEU 1.38 0.78 1 32 VAL 2.72 -0.82 1 33 THR -0.42 0.21 1 34 LYS -0.88 0.17 1 35 SER -0.18 0.44 1 37 ASP 0.65 -0.43 1 38 SER -0.10 0.13 1 39 VAL 3.56 -0.76 1 40 ASN 1.86 0.02 1 41 SER 3.95 -0.12 1 42 GLU 3.57 -0.07 1 43 HIS 2.69 1.45 1 44 GLU 3.46 -0.20 1 45 LEU 3.64 -0.41 1 46 ALA 3.91 -0.62 1 47 HIS 3.15 1.14 1 48 PHE 2.13 1.07 1 49 LEU 1.10 0.91 1 53 ASP 1.92 0.15 1 55 GLU -1.53 1.68 1 56 ILE -1.86 1.37 1 57 TYR -5.07 3.44 1 58 VAL -1.58 1.69 1 59 ASN 3.48 -1.93 1 61 LYS -3.37 1.62 1 62 ILE 0.15 -0.26 1 63 GLN -5.45 2.43 1 64 THR -2.72 1.53 1 66 THR 5.61 -0.73 1 67 ALA 2.62 0.07 1 68 PHE 3.60 0.26 1 69 LEU 3.96 -1.41 1 70 GLN 5.29 -1.64 1 71 PHE 3.13 -1.06 1 72 PHE 4.36 -1.12 1 73 ARG 3.50 -0.39 1 74 GLN 0.59 -0.14 1 76 LEU 2.54 -0.41 1 77 PHE -0.30 -0.56 1 78 LYS 3.43 0.11 1 79 LYS 3.29 -1.46 1 80 LEU 0.41 0.22 1 81 LYS 2.37 -0.45 1 82 ASP 2.87 -1.49 1 83 ALA -1.92 2.07 1 95 GLU 0.16 0.11 1 97 GLU -3.87 3.06 1 99 TYR -4.86 4.69 1 100 LYS -3.22 2.18 1 104 LYS -5.05 3.68 1 105 SER -1.64 1.70 1 106 ALA 0.58 -0.25 1 107 ALA -0.69 0.63 1 108 GLN -3.93 2.74 1 109 ARG 0.27 0.30 1 110 SER -2.17 1.07 1 111 HIS 1.81 1.58 1 112 ASP 0.67 -1.56 1 113 GLN 4.21 -2.71 1 114 LYS -2.30 1.62 1 118 ASP -4.59 3.46 1 119 GLU -7.25 5.63 1 120 ALA -6.70 4.64 1 121 GLU -7.58 4.38 1 122 ALA -5.01 2.89 1 123 TYR -0.95 -0.20 1 124 ILE -5.62 3.75 1 125 TRP -6.22 3.23 1 128 LYS 3.95 -0.89 1 129 ASP 0.65 -1.12 1 131 SER -0.33 0.63 1 134 LEU 2.12 -2.92 1 135 HIS 0.83 2.08 1 136 SER -2.67 1.45 1 137 VAL -4.79 2.51 1 138 LYS -3.74 2.49 1 139 PHE -2.54 2.51 1 140 ILE 0.13 0.99 1 141 MET -1.10 -1.38 1 142 SER 1.94 -1.25 1 143 LYS 1.61 -0.58 1 144 ALA -5.45 3.45 1 145 ALA -1.48 1.57 1 147 TYR -0.47 0.49 1 148 VAL -1.22 0.61 1 149 ALA -0.28 0.27 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr34423_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.58 _LACS_plot.Line_1_terminator_val_y_1 1.12 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.23 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.31 _LACS_plot.Line_2_terminator_val_x_2 5.61 _LACS_plot.Line_2_terminator_val_y_2 -0.70 _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 28 PHE 0.88 -1.11 0 14 ASP 0.02 -0.06 1 15 MET 0.11 0.04 1 16 VAL 0.48 0.12 1 17 THR -0.53 0.05 1 18 ASP 0.62 -0.27 1 19 LEU 3.55 -0.43 1 20 ASP 4.35 -0.36 1 21 VAL 4.29 -0.68 1 22 LYS 4.37 -0.71 1 24 LEU 3.75 0.20 1 27 ASP 4.01 -0.34 1 30 ASP 2.50 -0.60 1 31 LEU 1.38 -0.42 1 32 VAL 2.72 -0.39 1 33 THR -0.42 -0.09 1 34 LYS -0.88 -0.17 1 35 SER -0.18 -0.37 1 37 ASP 0.65 -0.14 1 38 SER -0.10 0.06 1 39 VAL 3.56 -0.22 1 40 ASN 1.86 -0.61 1 41 SER 3.95 -0.29 1 42 GLU 3.57 -0.58 1 43 HIS 2.69 -0.37 1 44 GLU 3.46 -0.32 1 45 LEU 3.64 -0.18 1 46 ALA 3.91 -0.29 1 47 HIS 3.15 -0.40 1 48 PHE 2.13 -0.36 1 49 LEU 1.10 -0.39 1 52 HIS -1.02 -0.30 1 53 ASP 1.92 -0.47 1 55 GLU -1.53 -0.07 1 56 ILE -1.86 0.62 1 57 TYR -5.07 0.75 1 58 VAL -1.58 0.72 1 59 ASN 3.48 -0.17 1 61 LYS -3.37 0.65 1 62 ILE 0.15 -0.12 1 63 GLN -5.45 0.59 1 64 THR -2.72 0.28 1 66 THR 5.61 -0.45 1 67 ALA 2.62 -0.34 1 68 PHE 3.60 -0.12 1 69 LEU 3.96 -0.43 1 70 GLN 5.29 -0.33 1 71 PHE 3.13 -0.28 1 72 PHE 4.36 -0.30 1 73 ARG 3.50 -0.64 1 74 GLN 0.59 -0.20 1 76 LEU 2.54 -0.66 1 77 PHE -0.30 0.04 1 78 LYS 3.43 -0.38 1 79 LYS 3.29 -0.03 1 80 LEU 0.41 -0.25 1 81 LYS 2.37 -0.44 1 82 ASP 2.87 -0.11 1 83 ALA -1.92 0.09 1 95 GLU 0.16 -0.09 1 97 GLU -3.87 0.16 1 99 TYR -4.86 0.35 1 100 LYS -3.22 0.38 1 104 LYS -5.05 1.24 1 105 SER -1.64 0.24 1 106 ALA 0.58 -0.08 1 107 ALA -0.69 0.37 1 108 GLN -3.93 0.39 1 109 ARG 0.27 0.26 1 110 SER -2.17 0.29 1 112 ASP 0.67 -0.12 1 113 GLN 4.21 -0.47 1 118 ASP -4.59 0.95 1 119 GLU -7.25 1.48 1 120 ALA -6.70 0.99 1 121 GLU -7.58 1.33 1 122 ALA -5.01 0.85 1 123 TYR -0.95 0.74 1 124 ILE -5.62 1.08 1 125 TRP -6.22 1.06 1 129 ASP 0.65 -0.12 1 131 SER -0.33 -0.05 1 134 LEU 2.12 0.05 1 135 HIS 0.83 -0.35 1 136 SER -2.67 0.86 1 137 VAL -4.79 1.03 1 138 LYS -3.74 1.14 1 139 PHE -2.54 0.88 1 140 ILE 0.13 0.41 1 141 MET -1.10 0.69 1 142 SER 1.94 -0.48 1 143 LYS 1.61 -0.58 1 144 ALA -5.45 0.84 1 145 ALA -1.48 0.13 1 147 TYR -0.47 0.04 1 148 VAL -1.22 -0.16 1 149 ALA -0.28 -0.34 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr34423_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.58 _LACS_plot.Line_1_terminator_val_y_1 -2.18 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.68 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.56 _LACS_plot.Line_2_terminator_val_x_2 5.61 _LACS_plot.Line_2_terminator_val_y_2 1.81 _LACS_plot.Y_axis_chem_shift_offset -0.07 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 47 HIS 3.15 3.90 0 53 ASP 1.92 -2.53 0 121 GLU -7.58 -1.29 0 43 HIS 2.69 4.21 0 14 ASP 0.02 -0.20 1 15 MET 0.11 -0.15 1 16 VAL 0.48 -0.01 1 17 THR -0.53 -0.61 1 18 ASP 0.62 -0.06 1 19 LEU 3.55 1.91 1 20 ASP 4.35 2.07 1 21 VAL 4.29 1.02 1 22 LYS 4.37 1.04 1 24 LEU 3.75 1.23 1 27 ASP 4.01 1.54 1 28 PHE 0.88 0.13 1 30 ASP 2.50 1.30 1 31 LEU 1.38 2.16 1 32 VAL 2.72 -0.94 1 33 THR -0.42 -0.93 1 34 LYS -0.88 -0.58 1 35 SER -0.18 2.74 1 37 ASP 0.65 0.39 1 38 SER -0.10 1.30 1 39 VAL 3.56 0.80 1 44 GLU 3.46 3.25 1 45 LEU 3.64 -0.19 1 46 ALA 3.91 3.42 1 48 PHE 2.13 1.16 1 49 LEU 1.10 1.31 1 52 HIS -1.02 0.94 1 55 GLU -1.53 -1.10 1 56 ILE -1.86 -2.49 1 57 TYR -5.07 0.72 1 58 VAL -1.58 -0.52 1 59 ASN 3.48 0.10 1 61 LYS -3.37 -0.21 1 62 ILE 0.15 -2.01 1 63 GLN -5.45 0.35 1 64 THR -2.72 1.23 1 66 THR 5.61 1.82 1 67 ALA 2.62 2.16 1 68 PHE 3.60 1.07 1 69 LEU 3.96 1.29 1 70 GLN 5.29 2.61 1 71 PHE 3.13 2.43 1 72 PHE 4.36 3.35 1 73 ARG 3.50 1.33 1 74 GLN 0.59 0.78 1 76 LEU 2.54 0.01 1 77 PHE -0.30 0.18 1 78 LYS 3.43 2.91 1 79 LYS 3.29 0.84 1 80 LEU 0.41 -2.41 1 81 LYS 2.37 0.16 1 82 ASP 2.87 -1.25 1 83 ALA -1.92 -0.20 1 95 GLU 0.16 -0.95 1 97 GLU -3.87 -0.36 1 99 TYR -4.86 -1.79 1 100 LYS -3.22 -2.75 1 104 LYS -5.05 -0.21 1 105 SER -1.64 -2.09 1 106 ALA 0.58 0.47 1 107 ALA -0.69 0.00 1 108 GLN -3.93 -0.46 1 109 ARG 0.27 -0.01 1 110 SER -2.17 0.85 1 112 ASP 0.67 -0.77 1 113 GLN 4.21 -0.73 1 114 LYS -2.30 -0.42 1 118 ASP -4.59 -0.74 1 119 GLU -7.25 -1.98 1 120 ALA -6.70 -2.76 1 122 ALA -5.01 -3.32 1 123 TYR -0.95 -0.97 1 124 ILE -5.62 -2.09 1 125 TRP -6.22 -0.85 1 128 LYS 3.95 0.55 1 129 ASP 0.65 0.69 1 131 SER -0.33 -1.08 1 135 HIS 0.83 2.66 1 136 SER -2.67 -2.05 1 137 VAL -4.79 -2.56 1 138 LYS -3.74 -1.83 1 139 PHE -2.54 0.70 1 140 ILE 0.13 -2.61 1 141 MET -1.10 0.86 1 142 SER 1.94 0.93 1 143 LYS 1.61 -2.35 1 144 ALA -5.45 -0.48 1 145 ALA -1.48 -1.23 1 147 TYR -0.47 -1.00 1 148 VAL -1.22 -1.70 1 149 ALA -0.28 -0.39 1 stop_ save_