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 bmr15568_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 -3.10 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.79 _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 7.01 _LACS_plot.Line_2_terminator_val_y_2 5.42 _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 56 ILE 2.45 -0.71 0 10 SER -0.48 0.14 1 11 GLU -1.86 -0.81 1 12 LEU -2.57 -0.90 1 14 PHE -5.76 -3.23 1 15 GLU -0.75 1.12 1 16 ARG -4.71 -1.29 1 17 VAL -6.89 -3.52 1 18 TYR -5.55 -2.37 1 19 ILE -2.62 -1.84 1 20 THR -3.24 -2.79 1 21 ALA -2.77 -0.87 1 23 ALA 1.32 0.87 1 25 LEU -2.37 -1.37 1 26 THR 0.33 0.17 1 27 ILE 4.70 3.58 1 29 SER 4.15 2.79 1 30 ASP 3.64 3.40 1 31 LEU 3.77 2.86 1 32 GLU 3.88 3.57 1 33 ARG 4.63 3.65 1 34 VAL 5.59 4.34 1 35 ILE 6.12 4.78 1 36 SER 3.29 2.92 1 37 THR 1.46 2.22 1 38 HIS -0.02 2.21 1 39 THR -3.81 -1.58 1 40 ARG 0.34 -0.47 1 41 ALA -0.80 -0.19 1 42 LYS -2.90 -1.93 1 43 VAL 0.71 -0.66 1 44 VAL -3.87 -3.01 1 45 ASN 0.07 0.12 1 46 LYS -5.01 -1.74 1 47 ALA 3.82 2.83 1 48 GLU 3.52 2.05 1 50 SER -2.59 0.34 1 51 GLU -1.71 0.46 1 52 ALA -3.67 -1.70 1 53 ILE -5.01 -2.00 1 54 ILE 0.32 -0.32 1 55 GLN -4.67 -2.83 1 57 VAL 3.20 3.00 1 58 HIS -5.13 -0.24 1 59 ALA -1.12 -0.36 1 60 ILE -3.89 -0.07 1 62 GLU -6.09 -1.93 1 63 LYS -2.66 -0.13 1 64 ARG -4.92 -1.99 1 65 ILE 2.73 2.84 1 66 LEU -1.33 0.48 1 67 SER -2.56 -1.03 1 68 LEU -4.36 -1.38 1 69 SER -2.54 -1.20 1 70 GLU 4.81 2.72 1 71 SER -0.30 -0.22 1 73 ARG -1.03 -1.07 1 74 VAL 4.06 3.06 1 75 ARG 0.30 1.00 1 76 GLU -6.26 -1.38 1 77 PHE -3.36 -0.69 1 78 GLU -4.51 -1.25 1 79 LEU -1.38 -1.78 1 80 VAL -4.48 -2.04 1 81 TYR -6.68 -2.20 1 82 ARG -5.18 -2.24 1 83 VAL -4.90 -1.85 1 84 ALA -4.22 -2.74 1 85 ALA -5.75 -2.06 1 86 ARG -5.29 -1.08 1 87 LEU -5.23 -2.13 1 88 LEU -4.96 -2.24 1 89 ASP -1.94 -2.03 1 90 ALA 2.01 1.44 1 91 HIS -0.24 -0.74 1 92 ASN 4.06 2.24 1 93 ALA -1.18 -1.04 1 94 GLU 0.75 1.99 1 95 LEU -0.11 0.53 1 96 ALA -3.21 -0.18 1 97 SER 0.13 -0.18 1 98 LEU 2.22 0.23 1 99 GLN 0.81 0.52 1 100 GLU 1.22 1.44 1 101 ILE -1.89 -0.62 1 102 ARG -1.76 -0.79 1 103 LEU -4.67 -2.01 1 104 THR -5.60 -2.12 1 105 ARG -8.20 -2.34 1 106 ILE -0.71 -0.81 1 107 LEU -6.43 -2.48 1 109 PHE -1.39 0.74 1 110 LEU -0.79 0.05 1 111 ASP 0.81 0.54 1 112 ALA -0.42 0.11 1 113 GLN 0.43 0.05 1 114 GLU 3.15 2.82 1 115 LEU 2.81 2.12 1 116 ALA 2.05 1.54 1 117 LYS 1.97 0.97 1 118 ALA 3.50 2.45 1 119 ALA 3.06 2.09 1 120 GLU 2.90 2.90 1 121 GLU 3.77 3.47 1 122 GLU 3.30 2.75 1 123 MET 4.69 3.64 1 124 LEU 3.66 2.88 1 125 TYR 7.02 5.58 1 126 LYS 5.31 3.97 1 127 ASP 3.23 3.56 1 129 GLN 5.76 4.90 1 130 LYS 4.92 3.62 1 131 ASP 2.88 2.83 1 132 ALA 4.08 3.38 1 133 VAL 6.49 4.91 1 134 GLN 4.85 3.49 1 135 GLN 5.38 4.01 1 136 ILE 5.88 4.87 1 137 LEU 4.83 3.41 1 138 ARG 4.94 3.91 1 139 GLN 3.59 4.33 1 140 VAL 5.78 4.43 1 141 SER 3.55 3.05 1 142 ALA 0.58 0.31 1 143 PHE 2.01 1.57 1 144 THR -0.52 -0.23 1 145 SER 1.43 1.11 1 146 ALA 1.05 0.91 1 148 LEU 0.44 0.37 1 149 GLU 0.49 0.53 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15568_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 5.10 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.21 _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 7.01 _LACS_plot.Line_2_terminator_val_y_2 -1.59 _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 56 ILE 2.45 -3.16 0 10 SER -0.48 0.62 1 11 GLU -1.86 1.05 1 12 LEU -2.57 1.67 1 14 PHE -5.76 2.53 1 15 GLU -0.75 1.87 1 16 ARG -4.71 3.42 1 17 VAL -6.89 3.37 1 18 TYR -5.55 3.18 1 19 ILE -2.62 0.78 1 20 THR -3.24 0.45 1 21 ALA -2.77 1.90 1 23 ALA 1.32 -0.45 1 25 LEU -2.37 1.00 1 26 THR 0.33 -0.16 1 27 ILE 4.70 -1.12 1 29 SER 4.15 -1.36 1 30 ASP 3.64 -0.24 1 31 LEU 3.77 -0.91 1 32 GLU 3.88 -0.31 1 33 ARG 4.63 -0.98 1 34 VAL 5.59 -1.25 1 35 ILE 6.12 -1.34 1 36 SER 3.29 -0.37 1 37 THR 1.46 0.76 1 38 HIS -0.02 2.23 1 39 THR -3.81 2.23 1 40 ARG 0.34 -0.81 1 41 ALA -0.80 0.61 1 42 LYS -2.90 0.97 1 43 VAL 0.71 -1.37 1 44 VAL -3.87 0.86 1 45 ASN 0.07 0.05 1 46 LYS -5.01 3.27 1 47 ALA 3.82 -0.99 1 48 GLU 3.52 -1.47 1 50 SER -2.59 2.93 1 51 GLU -1.71 2.17 1 52 ALA -3.67 1.97 1 53 ILE -5.01 3.01 1 54 ILE 0.32 -0.64 1 55 GLN -4.67 1.84 1 57 VAL 3.20 -0.20 1 58 HIS -5.13 4.89 1 59 ALA -1.12 0.76 1 60 ILE -3.89 3.82 1 62 GLU -6.09 4.16 1 63 LYS -2.66 2.53 1 64 ARG -4.92 2.93 1 65 ILE 2.73 0.11 1 66 LEU -1.33 1.81 1 67 SER -2.56 1.53 1 68 LEU -4.36 2.98 1 69 SER -2.54 1.34 1 70 GLU 4.81 -2.09 1 71 SER -0.30 0.08 1 73 ARG -1.03 -0.04 1 74 VAL 4.06 -1.00 1 75 ARG 0.30 0.70 1 76 GLU -6.26 4.88 1 77 PHE -3.36 2.67 1 78 GLU -4.51 3.26 1 79 LEU -1.38 -0.40 1 80 VAL -4.48 2.44 1 81 TYR -6.68 4.48 1 82 ARG -5.18 2.94 1 83 VAL -4.90 3.05 1 84 ALA -4.22 1.48 1 85 ALA -5.75 3.69 1 86 ARG -5.29 4.21 1 87 LEU -5.23 3.10 1 88 LEU -4.96 2.72 1 89 ASP -1.94 -0.09 1 90 ALA 2.01 -0.57 1 91 HIS -0.24 -0.50 1 92 ASN 4.06 -1.82 1 93 ALA -1.18 0.14 1 94 GLU 0.75 1.24 1 95 LEU -0.11 0.64 1 96 ALA -3.21 3.03 1 97 SER 0.13 -0.31 1 98 LEU 2.22 -1.99 1 99 GLN 0.81 -0.29 1 100 GLU 1.22 0.22 1 101 ILE -1.89 1.27 1 102 ARG -1.76 0.97 1 103 LEU -4.67 2.66 1 104 THR -5.60 3.48 1 105 ARG -8.20 5.86 1 106 ILE -0.71 -0.10 1 107 LEU -6.43 3.95 1 109 PHE -1.39 2.13 1 110 LEU -0.79 0.84 1 111 ASP 0.81 -0.27 1 112 ALA -0.42 0.53 1 113 GLN 0.43 -0.38 1 114 GLU 3.15 -0.33 1 115 LEU 2.81 -0.69 1 116 ALA 2.05 -0.51 1 117 LYS 1.97 -1.00 1 118 ALA 3.50 -1.05 1 119 ALA 3.06 -0.97 1 120 GLU 2.90 0.00 1 121 GLU 3.77 -0.30 1 122 GLU 3.30 -0.55 1 123 MET 4.69 -1.05 1 124 LEU 3.66 -0.78 1 125 TYR 7.02 -1.44 1 126 LYS 5.31 -1.34 1 127 ASP 3.23 0.33 1 129 GLN 5.76 -0.86 1 130 LYS 4.92 -1.30 1 131 ASP 2.88 -0.05 1 132 ALA 4.08 -0.70 1 133 VAL 6.49 -1.58 1 134 GLN 4.85 -1.36 1 135 GLN 5.38 -1.37 1 136 ILE 5.88 -1.01 1 137 LEU 4.83 -1.42 1 138 ARG 4.94 -1.03 1 139 GLN 3.59 0.74 1 140 VAL 5.78 -1.35 1 141 SER 3.55 -0.50 1 142 ALA 0.58 -0.27 1 143 PHE 2.01 -0.44 1 144 THR -0.52 0.29 1 145 SER 1.43 -0.32 1 146 ALA 1.05 -0.14 1 148 LEU 0.44 -0.07 1 149 GLU 0.49 0.04 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15568_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -8.20 _LACS_plot.Line_1_terminator_val_y_1 0.91 _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 0.30 _LACS_plot.Line_2_terminator_val_x_2 7.01 _LACS_plot.Line_2_terminator_val_y_2 -0.62 _LACS_plot.Y_axis_chem_shift_offset -0.09 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 46 LYS -5.01 -0.20 0 105 ARG -8.20 0.31 0 104 THR -5.60 1.49 0 47 ALA 3.82 -1.27 0 10 SER -0.48 0.15 1 11 GLU -1.86 0.10 1 12 LEU -2.57 -0.03 1 14 PHE -5.76 0.26 1 15 GLU -0.75 0.11 1 16 ARG -4.71 1.24 1 17 VAL -6.89 1.19 1 18 TYR -5.55 0.47 1 19 ILE -2.62 0.62 1 20 THR -3.24 0.23 1 21 ALA -2.77 0.48 1 23 ALA 1.32 -0.14 1 25 LEU -2.37 0.50 1 26 THR 0.33 0.21 1 27 ILE 4.70 -0.24 1 29 SER 4.15 -0.22 1 30 ASP 3.64 -0.16 1 31 LEU 3.77 -0.21 1 32 GLU 3.88 -0.68 1 33 ARG 4.63 -0.25 1 34 VAL 5.59 -0.22 1 35 ILE 6.12 -0.52 1 36 SER 3.29 0.04 1 37 THR 1.46 0.01 1 38 HIS -0.02 0.11 1 39 THR -3.81 0.92 1 40 ARG 0.34 0.27 1 41 ALA -0.80 0.03 1 42 LYS -2.90 0.22 1 43 VAL 0.71 0.64 1 44 VAL -3.87 0.73 1 45 ASN 0.07 0.23 1 48 GLU 3.52 -0.25 1 50 SER -2.59 -0.39 1 51 GLU -1.71 0.10 1 52 ALA -3.67 0.13 1 53 ILE -5.01 0.92 1 54 ILE 0.32 0.29 1 55 GLN -4.67 0.62 1 56 ILE 2.45 0.06 1 57 VAL 3.20 -0.57 1 58 HIS -5.13 -0.11 1 59 ALA -1.12 0.75 1 60 ILE -3.89 0.05 1 62 GLU -6.09 0.42 1 63 LYS -2.66 0.98 1 64 ARG -4.92 0.65 1 65 ILE 2.73 -0.45 1 66 LEU -1.33 0.20 1 67 SER -2.56 0.19 1 68 LEU -4.36 0.61 1 69 SER -2.54 0.14 1 70 GLU 4.81 -0.41 1 71 SER -0.30 -0.01 1 73 ARG -1.03 0.04 1 74 VAL 4.06 -0.49 1 75 ARG 0.30 0.24 1 76 GLU -6.26 0.55 1 77 PHE -3.36 0.56 1 78 GLU -4.51 0.52 1 79 LEU -1.38 0.59 1 80 VAL -4.48 0.99 1 81 TYR -6.68 1.36 1 82 ARG -5.18 1.43 1 83 VAL -4.90 0.76 1 84 ALA -4.22 0.57 1 85 ALA -5.75 1.13 1 86 ARG -5.29 0.41 1 87 LEU -5.23 0.97 1 88 LEU -4.96 0.94 1 89 ASP -1.94 0.06 1 90 ALA 2.01 -0.64 1 91 HIS -0.24 -0.14 1 92 ASN 4.06 -0.66 1 93 ALA -1.18 0.12 1 94 GLU 0.75 -0.32 1 95 LEU -0.11 0.14 1 96 ALA -3.21 0.15 1 97 SER 0.13 0.10 1 98 LEU 2.22 0.09 1 99 GLN 0.81 -0.13 1 100 GLU 1.22 -0.20 1 101 ILE -1.89 -0.11 1 102 ARG -1.76 0.81 1 103 LEU -4.67 0.65 1 106 ILE -0.71 0.47 1 107 LEU -6.43 0.36 1 109 PHE -1.39 0.02 1 110 LEU -0.79 -0.02 1 111 ASP 0.81 -0.24 1 112 ALA -0.42 -0.10 1 113 GLN 0.43 0.04 1 114 GLU 3.15 -0.33 1 115 LEU 2.81 -0.10 1 116 ALA 2.05 -0.02 1 117 LYS 1.97 -0.03 1 118 ALA 3.50 -0.07 1 119 ALA 3.06 -0.07 1 120 GLU 2.90 -0.32 1 121 GLU 3.77 -0.65 1 122 GLU 3.30 -0.10 1 123 MET 4.69 -0.36 1 124 LEU 3.66 -0.19 1 125 TYR 7.02 -0.46 1 126 LYS 5.31 -0.42 1 127 ASP 3.23 -0.27 1 129 GLN 5.76 -0.42 1 130 LYS 4.92 -0.34 1 131 ASP 2.88 -0.22 1 132 ALA 4.08 -0.35 1 133 VAL 6.49 -0.48 1 134 GLN 4.85 -0.41 1 135 GLN 5.38 -0.26 1 136 ILE 5.88 -0.63 1 137 LEU 4.83 -0.49 1 138 ARG 4.94 -0.37 1 139 GLN 3.59 -0.24 1 140 VAL 5.78 -0.41 1 141 SER 3.55 -0.25 1 142 ALA 0.58 -0.01 1 143 PHE 2.01 -0.13 1 144 THR -0.52 -0.16 1 145 SER 1.43 -0.18 1 146 ALA 1.05 -0.02 1 148 LEU 0.44 -0.02 1 149 GLU 0.49 -0.18 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15568_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 -3.02 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.70 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.83 _LACS_plot.Line_2_terminator_val_x_2 7.01 _LACS_plot.Line_2_terminator_val_y_2 2.62 _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 92 ASN 4.06 -1.99 0 104 THR -5.60 1.44 0 10 SER -0.48 -1.22 1 11 GLU -1.86 -0.72 1 12 LEU -2.57 0.27 1 14 PHE -5.76 -1.37 1 15 GLU -0.75 0.57 1 16 ARG -4.71 -0.42 1 17 VAL -6.89 -4.77 1 18 TYR -5.55 -3.35 1 19 ILE -2.62 -2.09 1 20 THR -3.24 -3.69 1 21 ALA -2.77 -2.48 1 23 ALA 1.32 0.98 1 25 LEU -2.37 1.12 1 26 THR 0.33 1.58 1 27 ILE 4.70 -1.36 1 29 SER 4.15 2.77 1 30 ASP 3.64 2.46 1 31 LEU 3.77 0.14 1 32 GLU 3.88 2.02 1 33 ARG 4.63 3.26 1 34 VAL 5.59 2.02 1 35 ILE 6.12 2.40 1 36 SER 3.29 0.61 1 37 THR 1.46 1.59 1 38 HIS -0.02 0.11 1 39 THR -3.81 -1.11 1 40 ARG 0.34 0.39 1 41 ALA -0.80 -1.79 1 42 LYS -2.90 -0.84 1 43 VAL 0.71 1.09 1 44 VAL -3.87 -0.52 1 45 ASN 0.07 -0.25 1 46 LYS -5.01 -0.77 1 47 ALA 3.82 2.68 1 48 GLU 3.52 0.37 1 50 SER -2.59 -1.81 1 51 GLU -1.71 -0.88 1 52 ALA -3.67 -3.78 1 53 ILE -5.01 0.10 1 54 ILE 0.32 -3.37 1 55 GLN -4.67 -0.12 1 56 ILE 2.45 -1.35 1 57 VAL 3.20 -0.05 1 58 HIS -5.13 -1.39 1 59 ALA -1.12 -2.65 1 60 ILE -3.89 -1.52 1 62 GLU -6.09 -1.06 1 63 LYS -2.66 -2.20 1 64 ARG -4.92 -1.03 1 65 ILE 2.73 -1.09 1 66 LEU -1.33 -1.23 1 67 SER -2.56 -1.64 1 68 LEU -4.36 -0.22 1 69 SER -2.54 1.56 1 70 GLU 4.81 0.96 1 71 SER -0.30 0.59 1 73 ARG -1.03 -0.54 1 74 VAL 4.06 -1.10 1 75 ARG 0.30 0.42 1 76 GLU -6.26 -1.50 1 77 PHE -3.36 -1.39 1 78 GLU -4.51 -2.04 1 79 LEU -1.38 -2.26 1 80 VAL -4.48 -1.30 1 81 TYR -6.68 -1.67 1 82 ARG -5.18 -1.06 1 83 VAL -4.90 -2.86 1 84 ALA -4.22 -2.11 1 85 ALA -5.75 -2.95 1 86 ARG -5.29 -3.81 1 87 LEU -5.23 -2.64 1 88 LEU -4.96 -1.49 1 89 ASP -1.94 -0.23 1 90 ALA 2.01 0.17 1 91 HIS -0.24 0.75 1 93 ALA -1.18 -0.27 1 94 GLU 0.75 -0.19 1 95 LEU -0.11 -0.42 1 96 ALA -3.21 -2.08 1 97 SER 0.13 -0.34 1 98 LEU 2.22 -0.28 1 99 GLN 0.81 1.10 1 100 GLU 1.22 -0.70 1 101 ILE -1.89 -2.40 1 102 ARG -1.76 -2.19 1 103 LEU -4.67 -2.55 1 105 ARG -8.20 -2.08 1 106 ILE -0.71 -1.92 1 107 LEU -6.43 -1.22 1 109 PHE -1.39 -1.25 1 110 LEU -0.79 -1.38 1 111 ASP 0.81 -0.53 1 112 ALA -0.42 -0.46 1 113 GLN 0.43 0.47 1 114 GLU 3.15 1.52 1 115 LEU 2.81 1.29 1 116 ALA 2.05 2.01 1 117 LYS 1.97 1.51 1 118 ALA 3.50 2.18 1 119 ALA 3.06 2.21 1 120 GLU 2.90 1.69 1 121 GLU 3.77 0.86 1 122 GLU 3.30 2.44 1 123 MET 4.69 2.75 1 124 LEU 3.66 2.25 1 125 TYR 7.02 3.57 1 126 LYS 5.31 2.85 1 127 ASP 3.23 2.73 1 129 GLN 5.76 1.10 1 130 LYS 4.92 2.82 1 131 ASP 2.88 2.56 1 132 ALA 4.08 1.81 1 133 VAL 6.49 1.26 1 134 GLN 4.85 2.88 1 135 GLN 5.38 2.98 1 136 ILE 5.88 1.23 1 137 LEU 4.83 1.09 1 138 ARG 4.94 3.34 1 139 GLN 3.59 3.40 1 140 VAL 5.78 1.13 1 141 SER 3.55 0.32 1 142 ALA 0.58 0.50 1 143 PHE 2.01 0.02 1 144 THR -0.52 -0.31 1 145 SER 1.43 0.54 1 146 ALA 1.05 0.86 1 148 LEU 0.44 -0.07 1 149 GLU 0.49 -0.06 1 stop_ save_