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 bmr6339_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.83 _LACS_plot.Line_1_terminator_val_y_1 -2.35 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.15 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.15 _LACS_plot.Line_2_terminator_val_x_2 9.77 _LACS_plot.Line_2_terminator_val_y_2 7.13 _LACS_plot.Y_axis_chem_shift_offset -0.30 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 128 VAL 9.78 7.22 0 10 ASP 0.18 0.32 1 11 PHE 0.47 0.45 1 12 VAL 0.07 0.17 1 13 ALA 0.53 0.77 1 14 ASP 0.38 0.67 1 15 LYS 1.07 0.97 1 16 LEU 0.99 0.59 1 17 THR 1.67 1.40 1 18 ALA -0.50 -0.27 1 19 ILE -0.33 -0.29 1 21 LYS -2.64 -1.02 1 23 GLU -5.57 -1.92 1 25 SER -3.21 -0.85 1 26 VAL 0.26 -0.27 1 27 THR 2.32 1.38 1 28 ASP -4.10 0.57 1 29 VAL 0.77 0.87 1 30 ASP -4.76 -1.19 1 31 LEU 2.03 1.23 1 32 LYS -1.25 0.16 1 33 ASP -3.65 0.11 1 34 VAL -2.29 -0.44 1 35 ASN -2.12 -0.82 1 36 ARG 3.27 2.19 1 37 ASP -0.69 1.46 1 38 SER -2.84 0.26 1 39 VAL -1.60 -0.68 1 40 GLU -4.44 -1.77 1 41 TYR -2.48 -0.54 1 42 LEU -3.92 -1.46 1 43 ALA -3.40 -2.42 1 44 LYS -0.85 -0.67 1 45 VAL -4.74 -2.33 1 46 SER -2.51 -0.94 1 47 VAL -3.91 -1.82 1 48 THR -0.07 0.16 1 49 ASN -4.98 -2.09 1 51 TYR 1.28 1.27 1 52 SER 1.31 0.71 1 53 HIS -4.77 -1.48 1 54 SER -0.28 -0.24 1 55 ILE -5.12 -2.13 1 57 ILE -0.34 -0.31 1 59 GLU -4.12 -0.18 1 60 ILE -2.55 -0.18 1 61 SER -4.08 -1.85 1 62 PHE -4.83 -1.32 1 63 THR -1.66 0.25 1 64 PHE -5.83 -1.55 1 65 HIS -5.34 -0.46 1 66 SER -1.80 0.60 1 67 ALA 1.46 0.56 1 69 ARG -2.80 -1.25 1 70 GLU 0.24 1.04 1 71 ILE -0.11 0.90 1 73 LYS -1.76 -0.02 1 75 LYS -4.06 -0.80 1 76 ILE -2.55 -0.86 1 78 ASP 1.56 2.23 1 81 SER -3.86 -1.04 1 82 LEU -1.17 -1.82 1 83 LYS -0.02 0.81 1 84 ALA 0.41 0.80 1 85 LYS 1.61 0.38 1 86 ASP -4.75 -1.77 1 87 MET -2.44 -0.80 1 88 THR 0.02 1.57 1 89 ALA -2.48 -1.69 1 90 LEU -4.32 -1.52 1 91 ASP -2.22 -0.85 1 92 ILE -1.92 -0.90 1 94 VAL 1.45 0.97 1 95 VAL -0.43 -0.33 1 96 VAL -6.83 -3.97 1 98 TYR 4.45 4.76 1 99 SER 4.85 3.50 1 100 ILE 3.50 1.98 1 101 LEU 2.16 2.64 1 102 PHE 3.53 3.06 1 103 ASN 3.43 3.00 1 104 LEU 2.39 2.99 1 105 ALA 3.41 2.89 1 106 ARG 3.41 2.34 1 107 ASP 2.96 2.96 1 108 VAL 1.74 1.10 1 110 VAL -3.40 -1.92 1 111 ASP -1.03 0.29 1 112 TRP -0.93 0.65 1 113 ASP -4.06 -1.11 1 114 ILE -4.23 -0.34 1 115 ASP -2.00 -0.03 1 116 TYR -5.84 -1.57 1 117 GLU -4.10 -0.34 1 118 LEU -5.48 -1.45 1 119 GLN -1.51 -0.55 1 120 ILE -4.85 -1.75 1 122 LEU -2.26 -0.90 1 123 THR 1.94 1.13 1 124 ILE -3.86 -1.61 1 125 ASP -2.66 -1.35 1 126 LEU -1.75 -0.19 1 129 VAL 0.62 1.32 1 131 GLU 1.34 1.62 1 132 PHE -3.92 0.49 1 133 THR 0.43 0.42 1 134 ILE -2.33 -1.03 1 136 ILE -2.98 -0.10 1 137 SER -4.28 -1.58 1 138 SER -2.14 -0.46 1 139 LYS -4.17 -1.21 1 141 GLU -4.65 -1.01 1 142 ILE -4.37 -1.66 1 143 LYS -1.01 -0.94 1 144 LEU -1.30 -0.73 1 146 THR 1.29 0.07 1 147 PHE 2.20 1.70 1 148 LYS 1.04 0.98 1 149 ASP 1.35 0.98 1 150 PHE -0.27 -0.06 1 151 PHE 0.85 1.45 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6339_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.83 _LACS_plot.Line_1_terminator_val_y_1 4.48 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.85 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.85 _LACS_plot.Line_2_terminator_val_x_2 9.77 _LACS_plot.Line_2_terminator_val_y_2 -2.64 _LACS_plot.Y_axis_chem_shift_offset -0.30 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 128 VAL 9.78 -2.56 0 10 ASP 0.18 0.14 1 11 PHE 0.47 -0.02 1 12 VAL 0.07 0.10 1 13 ALA 0.53 0.24 1 14 ASP 0.38 0.29 1 15 LYS 1.07 -0.10 1 16 LEU 0.99 -0.40 1 17 THR 1.67 -0.27 1 18 ALA -0.50 0.23 1 19 ILE -0.33 0.04 1 21 LYS -2.64 1.62 1 23 GLU -5.57 3.65 1 25 SER -3.21 2.36 1 26 VAL 0.26 -0.53 1 27 THR 2.32 -0.94 1 28 ASP -4.10 4.67 1 29 VAL 0.77 0.10 1 30 ASP -4.76 3.57 1 31 LEU 2.03 -0.80 1 32 LYS -1.25 1.41 1 33 ASP -3.65 3.76 1 34 VAL -2.29 1.85 1 35 ASN -2.12 1.30 1 36 ARG 3.27 -1.08 1 37 ASP -0.69 2.15 1 38 SER -2.84 3.10 1 39 VAL -1.60 0.92 1 40 GLU -4.44 2.67 1 41 TYR -2.48 1.94 1 42 LEU -3.92 2.46 1 43 ALA -3.40 0.98 1 44 LYS -0.85 0.18 1 45 VAL -4.74 2.41 1 46 SER -2.51 1.57 1 47 VAL -3.91 2.09 1 48 THR -0.07 0.23 1 49 ASN -4.98 2.89 1 51 TYR 1.28 -0.01 1 52 SER 1.31 -0.60 1 53 HIS -4.77 3.29 1 54 SER -0.28 0.04 1 55 ILE -5.12 2.99 1 57 ILE -0.34 0.03 1 59 GLU -4.12 3.94 1 60 ILE -2.55 2.37 1 61 SER -4.08 2.23 1 62 PHE -4.83 3.51 1 63 THR -1.66 1.91 1 64 PHE -5.83 4.28 1 65 HIS -5.34 4.88 1 66 SER -1.80 2.40 1 67 ALA 1.46 -0.90 1 69 ARG -2.80 1.55 1 70 GLU 0.24 0.80 1 71 ILE -0.11 1.01 1 73 LYS -1.76 1.74 1 75 LYS -4.06 3.26 1 76 ILE -2.55 1.69 1 78 ASP 1.56 0.67 1 81 SER -3.86 2.82 1 82 LEU -1.17 -0.65 1 83 LYS -0.02 0.83 1 84 ALA 0.41 0.39 1 85 LYS 1.61 -1.23 1 86 ASP -4.75 2.98 1 87 MET -2.44 1.64 1 88 THR 0.02 1.55 1 89 ALA -2.48 0.79 1 90 LEU -4.32 2.80 1 91 ASP -2.22 1.37 1 92 ILE -1.92 1.02 1 94 VAL 1.45 -0.48 1 95 VAL -0.43 0.10 1 96 VAL -6.83 2.86 1 98 TYR 4.45 0.31 1 99 SER 4.85 -1.35 1 100 ILE 3.50 -1.52 1 101 LEU 2.16 0.48 1 102 PHE 3.53 -0.47 1 103 ASN 3.43 -0.43 1 104 LEU 2.39 0.60 1 105 ALA 3.41 -0.52 1 106 ARG 3.41 -1.07 1 107 ASP 2.96 0.00 1 108 VAL 1.74 -0.64 1 110 VAL -3.40 1.48 1 111 ASP -1.03 1.32 1 112 TRP -0.93 1.58 1 113 ASP -4.06 2.95 1 114 ILE -4.23 3.89 1 115 ASP -2.00 1.97 1 116 TYR -5.84 4.27 1 117 GLU -4.10 3.76 1 118 LEU -5.48 4.03 1 119 GLN -1.51 0.96 1 120 ILE -4.85 3.10 1 122 LEU -2.26 1.36 1 123 THR 1.94 -0.81 1 124 ILE -3.86 2.25 1 125 ASP -2.66 1.31 1 126 LEU -1.75 1.56 1 129 VAL 0.62 0.70 1 131 GLU 1.34 0.28 1 132 PHE -3.92 4.41 1 133 THR 0.43 -0.01 1 134 ILE -2.33 1.30 1 136 ILE -2.98 2.88 1 137 SER -4.28 2.70 1 138 SER -2.14 1.68 1 139 LYS -4.17 2.96 1 141 GLU -4.65 3.64 1 142 ILE -4.37 2.71 1 143 LYS -1.01 0.07 1 144 LEU -1.30 0.57 1 146 THR 1.29 -1.22 1 147 PHE 2.20 -0.50 1 148 LYS 1.04 -0.06 1 149 ASP 1.35 -0.37 1 150 PHE -0.27 0.21 1 151 PHE 0.85 0.60 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6339_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.83 _LACS_plot.Line_1_terminator_val_y_1 0.95 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.25 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.30 _LACS_plot.Line_2_terminator_val_x_2 9.77 _LACS_plot.Line_2_terminator_val_y_2 -1.25 _LACS_plot.Y_axis_chem_shift_offset -0.03 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 128 VAL 9.78 -0.93 0 10 ASP 0.18 -0.10 1 11 PHE 0.47 -0.07 1 12 VAL 0.07 -0.16 1 13 ALA 0.53 -0.16 1 14 ASP 0.38 -0.02 1 16 LEU 0.99 -0.04 1 17 THR 1.67 -0.20 1 18 ALA -0.50 0.01 1 19 ILE -0.33 0.01 1 21 LYS -2.64 0.35 1 23 GLU -5.57 0.39 1 25 SER -3.21 0.32 1 26 VAL 0.26 0.45 1 27 THR 2.32 -0.05 1 28 ASP -4.10 0.19 1 29 VAL 0.77 0.54 1 30 ASP -4.76 0.45 1 31 LEU 2.03 -0.57 1 32 LYS -1.25 0.09 1 33 ASP -3.65 0.15 1 34 VAL -2.29 0.36 1 35 ASN -2.12 -0.13 1 36 ARG 3.27 -1.11 1 37 ASP -0.69 0.26 1 38 SER -2.84 0.66 1 39 VAL -1.60 0.26 1 40 GLU -4.44 0.63 1 41 TYR -2.48 0.29 1 42 LEU -3.92 0.37 1 43 ALA -3.40 0.77 1 44 LYS -0.85 0.66 1 45 VAL -4.74 0.87 1 46 SER -2.51 0.83 1 47 VAL -3.91 1.03 1 48 THR -0.07 0.24 1 49 ASN -4.98 0.18 1 51 TYR 1.28 -0.28 1 52 SER 1.31 -0.25 1 53 HIS -4.77 0.15 1 54 SER -0.28 0.07 1 55 ILE -5.12 0.44 1 57 ILE -0.34 0.18 1 59 GLU -4.12 0.44 1 60 ILE -2.55 0.80 1 61 SER -4.08 0.96 1 62 PHE -4.83 1.43 1 63 THR -1.66 0.36 1 64 PHE -5.83 0.97 1 65 HIS -5.34 0.89 1 66 SER -1.80 0.16 1 67 ALA 1.46 -0.16 1 69 ARG -2.80 0.27 1 70 GLU 0.24 -0.50 1 71 ILE -0.11 0.51 1 73 LYS -1.76 0.22 1 75 LYS -4.06 0.92 1 76 ILE -2.55 0.25 1 78 ASP 1.56 -0.28 1 81 SER -3.86 0.68 1 82 LEU -1.17 0.35 1 83 LYS -0.02 -0.40 1 84 ALA 0.41 -0.73 1 85 LYS 1.61 -0.26 1 86 ASP -4.75 0.22 1 87 MET -2.44 0.70 1 88 THR 0.02 0.00 1 89 ALA -2.48 0.93 1 90 LEU -4.32 0.33 1 91 ASP -2.22 0.52 1 92 ILE -1.92 -0.08 1 94 VAL 1.45 0.67 1 95 VAL -0.43 -0.40 1 96 VAL -6.83 0.86 1 98 TYR 4.45 -0.85 1 99 SER 4.85 -0.38 1 100 ILE 3.50 -0.22 1 101 LEU 2.16 -0.26 1 102 PHE 3.53 -0.54 1 103 ASN 3.43 -0.66 1 104 LEU 2.39 -0.25 1 105 ALA 3.41 -0.49 1 106 ARG 3.41 -0.46 1 107 ASP 2.96 -0.28 1 108 VAL 1.74 -0.05 1 110 VAL -3.40 0.42 1 111 ASP -1.03 -0.02 1 112 TRP -0.93 0.20 1 113 ASP -4.06 0.74 1 114 ILE -4.23 0.46 1 115 ASP -2.00 0.51 1 116 TYR -5.84 1.08 1 117 GLU -4.10 0.30 1 118 LEU -5.48 1.19 1 119 GLN -1.51 0.65 1 120 ILE -4.85 0.93 1 122 LEU -2.26 0.60 1 123 THR 1.94 0.87 1 124 ILE -3.86 0.97 1 125 ASP -2.66 0.18 1 126 LEU -1.75 -0.18 1 129 VAL 0.62 -0.17 1 131 GLU 1.34 0.28 1 132 PHE -3.92 0.03 1 133 THR 0.43 0.53 1 134 ILE -2.33 0.08 1 136 ILE -2.98 0.23 1 137 SER -4.28 1.12 1 138 SER -2.14 0.25 1 139 LYS -4.17 0.17 1 141 GLU -4.65 1.05 1 142 ILE -4.37 0.51 1 143 LYS -1.01 0.26 1 144 LEU -1.30 -0.11 1 146 THR 1.29 -0.25 1 147 PHE 2.20 0.01 1 148 LYS 1.04 -0.25 1 149 ASP 1.35 -0.22 1 150 PHE -0.27 -0.16 1 151 PHE 0.85 -0.25 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6339_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -5.84 _LACS_plot.Line_1_terminator_val_y_1 -2.55 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.12 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.24 _LACS_plot.Line_2_terminator_val_x_2 9.77 _LACS_plot.Line_2_terminator_val_y_2 2.62 _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 128 VAL 9.78 1.95 0 10 ASP 0.18 -0.47 1 11 PHE 0.47 -0.20 1 12 VAL 0.07 -0.60 1 13 ALA 0.53 0.04 1 16 LEU 0.99 0.48 1 17 THR 1.67 -0.32 1 18 ALA -0.50 -0.67 1 23 GLU -5.57 -1.39 1 25 SER -3.21 -1.97 1 26 VAL 0.26 0.52 1 27 THR 2.32 0.04 1 28 ASP -4.10 -2.03 1 29 VAL 0.77 -0.55 1 30 ASP -4.76 -1.09 1 31 LEU 2.03 -2.45 1 32 LYS -1.25 -1.43 1 33 ASP -3.65 -2.96 1 34 VAL -2.29 -2.51 1 35 ASN -2.12 -2.82 1 36 ARG 3.27 -0.62 1 37 ASP -0.69 1.89 1 38 SER -2.84 -3.94 1 39 VAL -1.60 -3.15 1 42 LEU -3.92 -2.52 1 43 ALA -3.40 -2.92 1 44 LYS -0.85 -1.22 1 45 VAL -4.74 -1.35 1 46 SER -2.51 0.26 1 47 VAL -3.91 -0.48 1 48 THR -0.07 -2.00 1 51 TYR 1.28 -0.26 1 52 SER 1.31 -2.23 1 53 HIS -4.77 -0.38 1 54 SER -0.28 0.34 1 57 ILE -0.34 -0.57 1 59 GLU -4.12 -2.91 1 60 ILE -2.55 -1.90 1 61 SER -4.08 -1.01 1 62 PHE -4.83 -1.37 1 63 THR -1.66 -2.49 1 64 PHE -5.83 -2.38 1 65 HIS -5.34 0.06 1 66 SER -1.80 -0.08 1 67 ALA 1.46 0.02 1 69 ARG -2.80 -1.33 1 70 GLU 0.24 -0.34 1 71 ILE -0.11 -1.43 1 73 LYS -1.76 -2.16 1 75 LYS -4.06 -1.03 1 81 SER -3.86 -0.95 1 82 LEU -1.17 -0.77 1 83 LYS -0.02 1.08 1 84 ALA 0.41 -1.32 1 85 LYS 1.61 -1.96 1 86 ASP -4.75 -0.66 1 87 MET -2.44 -0.50 1 88 THR 0.02 -2.53 1 89 ALA -2.48 -1.17 1 90 LEU -4.32 -2.92 1 91 ASP -2.22 -0.85 1 94 VAL 1.45 -0.07 1 95 VAL -0.43 -0.07 1 98 TYR 4.45 1.65 1 99 SER 4.85 2.12 1 100 ILE 3.50 1.96 1 101 LEU 2.16 -0.51 1 102 PHE 3.53 1.30 1 103 ASN 3.43 1.83 1 104 LEU 2.39 0.55 1 105 ALA 3.41 2.01 1 107 ASP 2.96 2.23 1 108 VAL 1.74 0.59 1 110 VAL -3.40 -1.46 1 111 ASP -1.03 -0.34 1 112 TRP -0.93 -0.86 1 113 ASP -4.06 -2.87 1 114 ILE -4.23 -3.86 1 115 ASP -2.00 -1.85 1 116 TYR -5.84 -1.35 1 117 GLU -4.10 -2.27 1 118 LEU -5.48 -3.72 1 119 GLN -1.51 -1.14 1 120 ILE -4.85 -1.25 1 122 LEU -2.26 -3.02 1 123 THR 1.94 -0.72 1 124 ILE -3.86 -3.70 1 125 ASP -2.66 -0.98 1 129 VAL 0.62 0.71 1 131 GLU 1.34 0.69 1 132 PHE -3.92 -2.32 1 133 THR 0.43 -1.97 1 136 ILE -2.98 -2.14 1 137 SER -4.28 -0.78 1 138 SER -2.14 -2.66 1 139 LYS -4.17 -1.79 1 141 GLU -4.65 -3.90 1 142 ILE -4.37 -1.27 1 143 LYS -1.01 0.38 1 146 THR 1.29 0.26 1 148 LYS 1.04 -0.40 1 149 ASP 1.35 -0.59 1 150 PHE -0.27 -1.35 1 stop_ save_