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 bmr6980_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.89 _LACS_plot.Line_1_terminator_val_y_1 -2.73 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.92 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.45 _LACS_plot.Line_2_terminator_val_x_2 8.41 _LACS_plot.Line_2_terminator_val_y_2 6.54 _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 86 HIS 4.49 6.31 0 10 LEU 0.83 0.49 1 11 GLN 0.75 0.46 1 14 LYS 0.48 0.37 1 15 ALA 0.52 0.38 1 16 PHE 1.02 0.97 1 18 LEU 1.62 1.35 1 19 LEU 2.48 1.96 1 20 LYS 3.41 2.72 1 21 ALA 3.07 2.30 1 22 GLN 3.43 2.76 1 23 GLN 4.06 2.79 1 24 GLU 4.41 3.93 1 25 GLU 3.17 2.87 1 26 ARG 3.80 2.88 1 27 LEU 6.26 3.07 1 28 ASP 4.74 3.75 1 29 GLU 3.27 2.86 1 30 ILE 5.06 3.58 1 31 ASN 4.83 2.83 1 32 LYS 4.57 3.59 1 33 GLN 4.45 3.14 1 34 PHE 4.37 4.68 1 35 LEU 2.90 2.43 1 36 ASP -1.34 -0.53 1 37 ASP -2.15 -0.56 1 39 LYS 3.75 2.58 1 40 TYR -1.98 -0.40 1 41 SER 3.02 2.71 1 42 SER 1.74 1.08 1 43 ASP -0.50 -0.49 1 44 GLU 1.99 1.74 1 45 ASP -1.12 -0.70 1 46 LEU 8.20 6.32 1 48 SER 4.07 2.78 1 49 LYS 3.90 3.32 1 50 LEU 5.23 3.03 1 51 GLU 3.70 2.99 1 53 PHE 2.93 0.66 1 54 LYS 5.05 4.16 1 55 GLU 3.37 2.92 1 56 LYS 3.29 1.89 1 57 TYR 3.75 4.34 1 58 MET 2.14 1.65 1 59 GLU 1.07 1.41 1 60 PHE -0.27 0.00 1 61 ASP 0.70 0.15 1 62 LEU -2.29 -1.13 1 63 ASN -1.41 -2.36 1 65 ASN -1.39 -0.44 1 67 ASP -2.02 -0.54 1 68 ILE 1.44 0.03 1 69 ASP -5.59 -3.34 1 70 ILE 5.09 4.60 1 71 MET 3.93 1.94 1 72 SER 3.58 2.50 1 73 LEU 3.34 2.95 1 74 LYS 3.56 3.74 1 75 ARG 3.83 3.35 1 76 MET 3.12 2.24 1 77 LEU 7.10 3.35 1 78 GLU 3.97 3.32 1 79 LYS 4.73 3.50 1 80 LEU -0.04 -0.01 1 82 VAL -0.88 -1.09 1 84 LYS -6.89 -3.02 1 85 THR -2.06 -0.79 1 87 LEU 3.63 3.14 1 88 GLU 1.84 2.69 1 89 LEU 3.78 3.32 1 90 LYS 4.84 3.74 1 91 LYS 3.97 3.01 1 92 LEU 3.50 3.36 1 93 ILE 5.68 4.61 1 95 GLU 0.37 1.41 1 96 VAL -0.65 0.33 1 97 SER -1.18 0.16 1 98 SER 0.66 0.24 1 100 SER 0.36 0.28 1 102 GLU -0.42 0.20 1 103 THR -5.68 -2.51 1 104 PHE -3.37 -1.09 1 105 SER -6.12 -1.89 1 106 TYR 8.41 6.12 1 108 ASP 3.68 3.32 1 109 PHE 3.55 3.77 1 110 LEU 2.42 2.36 1 111 ARG 5.39 4.72 1 112 MET 3.68 2.72 1 113 MET 3.96 1.00 1 114 LEU -0.38 0.21 1 116 LYS 0.43 0.23 1 117 ARG 0.19 0.13 1 118 SER 0.44 -0.34 1 119 ALA -1.64 -0.54 1 120 ILE 5.76 3.81 1 121 LEU 3.45 2.55 1 122 LYS 3.61 3.92 1 123 MET 4.00 2.93 1 124 ILE 3.98 3.99 1 125 LEU 2.37 1.67 1 126 MET 1.85 1.02 1 127 TYR 1.97 1.43 1 128 GLU 0.26 0.38 1 130 LYS 1.16 0.69 1 131 ALA 0.98 0.67 1 132 ARG 0.71 0.53 1 133 GLU 0.26 0.48 1 134 LYS 0.56 0.43 1 135 GLU -0.74 -0.34 1 136 LYS 0.66 0.16 1 138 THR -0.23 -0.11 1 142 ALA -0.25 -0.12 1 143 LYS 0.05 0.11 1 144 LYS -0.21 -0.02 1 145 ALA -0.16 -0.08 1 146 ILE 0.30 0.23 1 147 SER -0.10 -0.12 1 148 GLU -0.79 -0.27 1 149 LEU -1.34 -2.18 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6980_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.89 _LACS_plot.Line_1_terminator_val_y_1 4.16 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.08 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.55 _LACS_plot.Line_2_terminator_val_x_2 8.41 _LACS_plot.Line_2_terminator_val_y_2 -1.87 _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 86 HIS 4.49 1.82 0 10 LEU 0.83 -0.34 1 11 GLN 0.75 -0.29 1 14 LYS 0.48 -0.11 1 15 ALA 0.52 -0.14 1 16 PHE 1.02 -0.05 1 18 LEU 1.62 -0.27 1 19 LEU 2.48 -0.52 1 20 LYS 3.41 -0.69 1 21 ALA 3.07 -0.77 1 22 GLN 3.43 -0.67 1 23 GLN 4.06 -1.27 1 24 GLU 4.41 -0.48 1 25 GLU 3.17 -0.30 1 26 ARG 3.80 -0.92 1 27 LEU 6.26 -3.19 1 28 ASP 4.74 -0.99 1 29 GLU 3.27 -0.41 1 30 ILE 5.06 -1.48 1 31 ASN 4.83 -2.00 1 32 LYS 4.57 -0.98 1 33 GLN 4.45 -1.31 1 34 PHE 4.37 0.31 1 35 LEU 2.90 -0.47 1 36 ASP -1.34 0.81 1 37 ASP -2.15 1.59 1 39 LYS 3.75 -1.17 1 40 TYR -1.98 1.58 1 41 SER 3.02 -0.31 1 42 SER 1.74 -0.66 1 43 ASP -0.50 0.01 1 44 GLU 1.99 -0.25 1 45 ASP -1.12 0.42 1 46 LEU 8.20 -1.88 1 48 SER 4.07 -1.29 1 49 LYS 3.90 -0.58 1 50 LEU 5.23 -2.20 1 51 GLU 3.70 -0.71 1 53 PHE 2.93 -2.27 1 54 LYS 5.05 -0.89 1 55 GLU 3.37 -0.45 1 56 LYS 3.29 -1.40 1 57 TYR 3.75 0.59 1 58 MET 2.14 -0.49 1 59 GLU 1.07 0.34 1 60 PHE -0.27 0.27 1 61 ASP 0.70 -0.55 1 62 LEU -2.29 1.16 1 63 ASN -1.41 -0.95 1 65 ASN -1.39 0.95 1 67 ASP -2.02 1.48 1 68 ILE 1.44 -1.41 1 69 ASP -5.59 2.25 1 70 ILE 5.09 -0.49 1 71 MET 3.93 -1.99 1 72 SER 3.58 -1.08 1 73 LEU 3.34 -0.39 1 74 LYS 3.56 0.18 1 75 ARG 3.83 -0.48 1 76 MET 3.12 -0.88 1 77 LEU 7.10 -3.75 1 78 GLU 3.97 -0.65 1 79 LYS 4.73 -1.23 1 80 LEU -0.04 0.03 1 82 VAL -0.88 -0.21 1 84 LYS -6.89 3.87 1 85 THR -2.06 1.27 1 87 LEU 3.63 -0.49 1 88 GLU 1.84 0.85 1 89 LEU 3.78 -0.46 1 90 LYS 4.84 -1.10 1 91 LYS 3.97 -0.96 1 92 LEU 3.50 -0.14 1 93 ILE 5.68 -1.07 1 95 GLU 0.37 1.04 1 96 VAL -0.65 0.98 1 97 SER -1.18 1.34 1 98 SER 0.66 -0.42 1 100 SER 0.36 -0.08 1 102 GLU -0.42 0.62 1 103 THR -5.68 3.17 1 104 PHE -3.37 2.28 1 105 SER -6.12 4.23 1 106 TYR 8.41 -2.29 1 108 ASP 3.68 -0.36 1 109 PHE 3.55 0.22 1 110 LEU 2.42 -0.06 1 111 ARG 5.39 -0.67 1 112 MET 3.68 -0.96 1 113 MET 3.96 -2.96 1 114 LEU -0.38 0.59 1 116 LYS 0.43 -0.20 1 117 ARG 0.19 -0.06 1 118 SER 0.44 -0.78 1 119 ALA -1.64 1.10 1 120 ILE 5.76 -1.95 1 121 LEU 3.45 -0.90 1 122 LYS 3.61 0.31 1 123 MET 4.00 -1.07 1 124 ILE 3.98 0.01 1 125 LEU 2.37 -0.70 1 126 MET 1.85 -0.83 1 127 TYR 1.97 -0.54 1 128 GLU 0.26 0.12 1 130 LYS 1.16 -0.47 1 131 ALA 0.98 -0.31 1 132 ARG 0.71 -0.18 1 133 GLU 0.26 0.22 1 134 LYS 0.56 -0.13 1 135 GLU -0.74 0.40 1 136 LYS 0.66 -0.50 1 138 THR -0.23 0.12 1 142 ALA -0.25 0.13 1 143 LYS 0.05 0.06 1 144 LYS -0.21 0.19 1 145 ALA -0.16 0.08 1 146 ILE 0.30 -0.07 1 147 SER -0.10 -0.02 1 148 GLU -0.79 0.52 1 149 LEU -1.34 -0.84 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6980_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.89 _LACS_plot.Line_1_terminator_val_y_1 0.58 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.19 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.12 _LACS_plot.Line_2_terminator_val_x_2 8.41 _LACS_plot.Line_2_terminator_val_y_2 -0.68 _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 110 LEU 2.42 -1.24 0 10 LEU 0.83 -0.07 1 11 GLN 0.75 -0.08 1 14 LYS 0.48 -0.07 1 15 ALA 0.52 -0.08 1 16 PHE 1.02 -0.12 1 18 LEU 1.62 -0.09 1 20 LYS 3.41 -0.27 1 21 ALA 3.07 -0.08 1 22 GLN 3.43 -0.19 1 23 GLN 4.06 -0.27 1 24 GLU 4.41 -0.62 1 25 GLU 3.17 -0.23 1 26 ARG 3.80 -0.16 1 27 LEU 6.26 -0.45 1 28 ASP 4.74 -0.23 1 29 GLU 3.27 -0.24 1 30 ILE 5.06 -0.19 1 31 ASN 4.83 -0.20 1 32 LYS 4.57 -0.33 1 33 GLN 4.45 -0.18 1 34 PHE 4.37 -0.49 1 35 LEU 2.90 -0.31 1 36 ASP -1.34 0.15 1 37 ASP -2.15 -0.09 1 39 LYS 3.75 -0.47 1 40 TYR -1.98 0.42 1 42 SER 1.74 -0.04 1 43 ASP -0.50 0.03 1 44 GLU 1.99 -0.22 1 45 ASP -1.12 0.31 1 46 LEU 8.20 -0.67 1 48 SER 4.07 -0.28 1 49 LYS 3.90 -0.71 1 50 LEU 5.23 -0.47 1 51 GLU 3.70 -0.41 1 53 PHE 2.93 0.31 1 54 LYS 5.05 -0.23 1 55 GLU 3.37 -0.41 1 56 LYS 3.29 -0.07 1 57 TYR 3.75 -0.93 1 58 MET 2.14 -0.31 1 59 GLU 1.07 -0.30 1 60 PHE -0.27 -0.44 1 61 ASP 0.70 -0.10 1 62 LEU -2.29 0.09 1 63 ASN -1.41 0.02 1 65 ASN -1.39 0.14 1 67 ASP -2.02 0.33 1 68 ILE 1.44 -0.41 1 69 ASP -5.59 0.51 1 70 ILE 5.09 -0.44 1 71 MET 3.93 -0.10 1 72 SER 3.58 -0.19 1 73 LEU 3.34 -0.05 1 74 LYS 3.56 -0.45 1 75 ARG 3.83 -0.22 1 76 MET 3.12 -0.33 1 77 LEU 7.10 -0.46 1 78 GLU 3.97 -0.51 1 79 LYS 4.73 -0.29 1 80 LEU -0.04 -0.11 1 82 VAL -0.88 0.03 1 84 LYS -6.89 0.57 1 85 THR -2.06 0.07 1 86 HIS 4.49 -0.57 1 87 LEU 3.63 -0.36 1 88 GLU 1.84 -0.43 1 89 LEU 3.78 -0.46 1 90 LYS 4.84 -0.46 1 91 LYS 3.97 -0.26 1 92 LEU 3.50 -0.23 1 93 ILE 5.68 -0.66 1 95 GLU 0.37 -0.19 1 96 VAL -0.65 -0.20 1 97 SER -1.18 0.09 1 98 SER 0.66 0.11 1 100 SER 0.36 0.02 1 102 GLU -0.42 0.05 1 103 THR -5.68 0.99 1 104 PHE -3.37 0.58 1 105 SER -6.12 0.80 1 106 TYR 8.41 -0.60 1 108 ASP 3.68 -0.32 1 109 PHE 3.55 -0.80 1 111 ARG 5.39 -0.55 1 112 MET 3.68 -0.47 1 113 MET 3.96 -0.69 1 114 LEU -0.38 -0.09 1 116 LYS 0.43 -0.01 1 117 ARG 0.19 -0.09 1 118 SER 0.44 -0.11 1 119 ALA -1.64 0.06 1 120 ILE 5.76 -0.48 1 121 LEU 3.45 -0.33 1 122 LYS 3.61 -0.66 1 123 MET 4.00 -0.33 1 124 ILE 3.98 -0.46 1 125 LEU 2.37 -0.17 1 126 MET 1.85 -0.05 1 127 TYR 1.97 -0.10 1 130 LYS 1.16 -0.11 1 131 ALA 0.98 -0.11 1 132 ARG 0.71 -0.09 1 133 GLU 0.26 -0.14 1 134 LYS 0.56 -0.07 1 135 GLU -0.74 -0.11 1 136 LYS 0.66 -0.03 1 142 ALA -0.25 -0.07 1 143 LYS 0.05 -0.06 1 144 LYS -0.21 -0.05 1 145 ALA -0.16 0.00 1 146 ILE 0.30 -0.02 1 147 SER -0.10 -0.05 1 148 GLU -0.79 -0.05 1 149 LEU -1.34 0.26 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6980_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.89 _LACS_plot.Line_1_terminator_val_y_1 -2.08 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.17 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.45 _LACS_plot.Line_2_terminator_val_x_2 7.10 _LACS_plot.Line_2_terminator_val_y_2 3.11 _LACS_plot.Y_axis_chem_shift_offset -0.38 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 84 LYS -6.89 -0.25 0 104 PHE -3.37 -4.08 0 105 SER -6.12 1.06 0 10 LEU 0.83 0.25 1 11 GLN 0.75 0.78 1 14 LYS 0.48 0.03 1 15 ALA 0.52 -0.01 1 16 PHE 1.02 0.89 1 18 LEU 1.62 0.57 1 19 LEU 2.48 1.16 1 20 LYS 3.41 1.54 1 21 ALA 3.07 2.55 1 22 GLN 3.43 2.86 1 23 GLN 4.06 2.47 1 24 GLU 4.41 1.04 1 25 GLU 3.17 2.69 1 26 ARG 3.80 2.83 1 27 LEU 6.26 1.55 1 28 ASP 4.74 3.17 1 29 GLU 3.27 2.92 1 30 ILE 5.06 2.21 1 31 ASN 4.83 2.61 1 32 LYS 4.57 2.03 1 33 GLN 4.45 3.79 1 34 PHE 4.37 1.90 1 35 LEU 2.90 0.03 1 36 ASP -1.34 -0.40 1 39 LYS 3.75 0.95 1 40 TYR -1.98 1.47 1 41 SER 3.02 0.53 1 42 SER 1.74 -0.45 1 43 ASP -0.50 0.80 1 44 GLU 1.99 0.01 1 45 ASP -1.12 -0.44 1 48 SER 4.07 3.26 1 49 LYS 3.90 2.04 1 50 LEU 5.23 1.78 1 51 GLU 3.70 2.43 1 53 PHE 2.93 1.95 1 54 LYS 5.05 1.00 1 55 GLU 3.37 2.80 1 56 LYS 3.29 2.38 1 57 TYR 3.75 0.81 1 58 MET 2.14 0.76 1 59 GLU 1.07 1.74 1 60 PHE -0.27 -0.48 1 61 ASP 0.70 0.04 1 62 LEU -2.29 -0.16 1 63 ASN -1.41 2.66 1 65 ASN -1.39 -0.02 1 67 ASP -2.02 -1.75 1 68 ILE 1.44 -2.03 1 69 ASP -5.59 0.07 1 70 ILE 5.09 0.26 1 71 MET 3.93 2.26 1 72 SER 3.58 4.37 1 73 LEU 3.34 -0.07 1 74 LYS 3.56 2.41 1 75 ARG 3.83 3.09 1 76 MET 3.12 1.49 1 77 LEU 7.10 2.15 1 78 GLU 3.97 4.08 1 79 LYS 4.73 2.07 1 80 LEU -0.04 -0.69 1 85 THR -2.06 0.38 1 86 HIS 4.49 3.16 1 87 LEU 3.63 2.52 1 88 GLU 1.84 3.09 1 89 LEU 3.78 0.90 1 90 LYS 4.84 3.37 1 91 LYS 3.97 2.73 1 92 LEU 3.50 2.32 1 93 ILE 5.68 1.92 1 95 GLU 0.37 0.44 1 96 VAL -0.65 -0.35 1 97 SER -1.18 1.36 1 98 SER 0.66 0.60 1 100 SER 0.36 0.71 1 102 GLU -0.42 -1.19 1 103 THR -5.68 -0.99 1 108 ASP 3.68 2.70 1 109 PHE 3.55 0.82 1 110 LEU 2.42 1.16 1 111 ARG 5.39 3.38 1 112 MET 3.68 2.14 1 113 MET 3.96 2.23 1 114 LEU -0.38 0.71 1 116 LYS 0.43 1.20 1 118 SER 0.44 -0.83 1 119 ALA -1.64 -0.13 1 120 ILE 5.76 2.45 1 121 LEU 3.45 -0.37 1 122 LYS 3.61 0.54 1 123 MET 4.00 2.86 1 124 ILE 3.98 1.46 1 125 LEU 2.37 0.84 1 126 MET 1.85 0.62 1 127 TYR 1.97 0.67 1 130 LYS 1.16 0.53 1 131 ALA 0.98 0.54 1 132 ARG 0.71 0.44 1 133 GLU 0.26 0.72 1 134 LYS 0.56 0.04 1 135 GLU -0.74 -0.37 1 138 THR -0.23 0.16 1 142 ALA -0.25 -0.06 1 143 LYS 0.05 -0.23 1 144 LYS -0.21 -0.49 1 145 ALA -0.16 -0.10 1 146 ILE 0.30 -0.10 1 147 SER -0.10 -0.37 1 148 GLU -0.79 -0.66 1 stop_ save_