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 bmr25690_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.41 _LACS_plot.Line_1_terminator_val_y_1 -2.43 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.81 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.23 _LACS_plot.Line_2_terminator_val_x_2 7.11 _LACS_plot.Line_2_terminator_val_y_2 5.24 _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 121 HIS -3.67 2.55 0 10 ASP 0.19 0.15 1 11 LEU 0.97 0.50 1 12 PHE 0.44 0.30 1 14 SER -0.16 0.04 1 15 ASP 0.36 0.32 1 16 ASN 0.07 0.36 1 17 GLU 0.23 0.54 1 18 GLU 0.16 0.50 1 19 GLU -0.21 0.42 1 20 ASP 0.00 0.32 1 21 LYS 2.72 2.18 1 22 GLU 2.10 1.72 1 23 ALA 2.46 1.86 1 24 ALA 2.85 2.32 1 25 GLN 3.55 2.55 1 26 LEU 2.88 2.21 1 27 ARG 3.88 3.18 1 28 GLU 2.16 2.20 1 29 GLU 2.64 2.30 1 30 ARG 4.24 2.90 1 31 LEU 2.83 2.26 1 32 ARG 2.96 2.24 1 33 GLN 1.55 2.08 1 34 TYR 2.06 1.67 1 35 ALA 1.72 1.42 1 36 GLU 1.07 1.22 1 37 LYS 2.67 2.40 1 38 LYS 1.75 1.42 1 39 ALA -0.03 0.08 1 40 LYS 0.06 0.07 1 41 LYS 0.07 0.11 1 43 ALA -0.21 -0.14 1 44 LEU -0.14 -0.18 1 45 VAL -1.01 -0.58 1 46 ALA 0.05 0.11 1 47 LYS -5.35 -0.76 1 48 SER -1.97 -0.05 1 49 SER -2.62 -2.31 1 50 ILE -2.70 -0.62 1 51 LEU -4.71 -1.59 1 52 LEU -3.17 -0.87 1 53 ASP -4.33 -1.70 1 54 VAL -0.54 -0.91 1 55 LYS -0.51 -0.44 1 57 TRP 2.21 3.20 1 58 ASP -0.27 -0.06 1 59 ASP 2.30 1.22 1 60 GLU -1.21 -0.62 1 61 THR 2.71 2.92 1 62 ASP 0.05 -0.16 1 63 MET 3.80 0.06 1 64 ALA 4.31 2.73 1 65 GLN 3.60 2.48 1 66 LEU 5.03 5.15 1 67 GLU 5.13 3.53 1 68 ALA 4.09 2.44 1 70 VAL 7.12 5.32 1 71 ARG 3.84 2.20 1 72 SER 1.82 1.40 1 73 ILE 3.23 2.44 1 74 GLN -2.00 -1.19 1 75 LEU -5.50 -1.91 1 76 ASP 2.38 1.67 1 78 LEU -4.17 -1.17 1 79 VAL -2.52 -0.60 1 80 TRP -1.06 0.81 1 82 ALA -0.95 0.14 1 83 SER -5.40 -1.93 1 84 LYS -3.89 -0.80 1 85 LEU -2.09 -1.66 1 86 VAL -3.04 -0.54 1 88 VAL -0.28 -0.61 1 90 TYR 4.08 1.12 1 92 ILE -0.57 -0.47 1 93 ARG -3.35 -1.33 1 94 LYS -4.68 -2.82 1 95 LEU -2.86 -1.09 1 96 GLN -3.91 -0.90 1 97 ILE -5.93 -1.98 1 98 GLN -3.41 -1.26 1 100 VAL -2.49 -0.95 1 101 VAL -7.41 -4.80 1 102 GLU -1.18 -1.40 1 103 ASP 3.19 2.91 1 104 ASP 2.04 1.32 1 105 LYS -1.58 1.96 1 106 VAL -2.49 -0.18 1 108 THR 6.73 4.15 1 109 ASP 4.73 3.07 1 110 LEU 2.92 2.37 1 111 LEU 3.17 3.07 1 112 GLU 4.78 4.52 1 113 GLU 3.03 2.98 1 114 GLU 2.34 2.13 1 115 ILE 4.26 4.47 1 116 THR 4.16 3.41 1 117 LYS 3.52 2.48 1 118 PHE 4.20 -0.04 1 119 GLU 1.54 2.14 1 120 GLU 3.32 2.17 1 122 VAL -0.20 0.77 1 123 GLN 1.24 0.69 1 124 SER -2.00 -0.46 1 125 VAL -4.47 -2.10 1 126 ASP -5.68 -1.63 1 127 ILE 2.20 -0.45 1 128 ALA 0.85 1.07 1 129 ALA -2.45 0.23 1 130 PHE -2.08 -0.35 1 131 ASN -4.29 -0.51 1 132 LYS 1.21 0.60 1 133 ILE 1.73 2.40 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25690_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.41 _LACS_plot.Line_1_terminator_val_y_1 4.98 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.19 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.77 _LACS_plot.Line_2_terminator_val_x_2 7.11 _LACS_plot.Line_2_terminator_val_y_2 -1.87 _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 121 HIS -3.67 6.22 0 10 ASP 0.19 -0.04 1 11 LEU 0.97 -0.47 1 12 PHE 0.44 -0.14 1 14 SER -0.16 0.20 1 15 ASP 0.36 -0.04 1 16 ASN 0.07 0.29 1 17 GLU 0.23 0.31 1 18 GLU 0.16 0.34 1 19 GLU -0.21 0.63 1 20 ASP 0.00 0.32 1 21 LYS 2.72 -0.54 1 22 GLU 2.10 -0.38 1 23 ALA 2.46 -0.60 1 24 ALA 2.85 -0.53 1 25 GLN 3.55 -1.00 1 26 LEU 2.88 -0.67 1 27 ARG 3.88 -0.70 1 28 GLU 2.16 0.04 1 29 GLU 2.64 -0.34 1 30 ARG 4.24 -1.34 1 31 LEU 2.83 -0.57 1 32 ARG 2.96 -0.72 1 33 GLN 1.55 0.53 1 34 TYR 2.06 -0.39 1 35 ALA 1.72 -0.30 1 36 GLU 1.07 0.15 1 37 LYS 2.67 -0.27 1 38 LYS 1.75 -0.33 1 39 ALA -0.03 0.11 1 40 LYS 0.06 0.01 1 41 LYS 0.07 0.04 1 43 ALA -0.21 0.07 1 44 LEU -0.14 -0.04 1 45 VAL -1.01 0.43 1 46 ALA 0.05 0.06 1 47 LYS -5.35 4.59 1 48 SER -1.97 1.92 1 49 SER -2.62 0.31 1 50 ILE -2.70 2.08 1 51 LEU -4.71 3.12 1 52 LEU -3.17 2.30 1 53 ASP -4.33 2.63 1 54 VAL -0.54 -0.37 1 55 LYS -0.51 0.07 1 57 TRP 2.21 0.99 1 58 ASP -0.27 0.21 1 59 ASP 2.30 -1.08 1 60 GLU -1.21 0.59 1 61 THR 2.71 0.21 1 62 ASP 0.05 -0.21 1 63 MET 3.80 -3.74 1 64 ALA 4.31 -1.58 1 65 GLN 3.60 -1.12 1 66 LEU 5.03 0.12 1 67 GLU 5.13 -1.60 1 68 ALA 4.09 -1.65 1 70 VAL 7.12 -1.80 1 71 ARG 3.84 -1.64 1 72 SER 1.82 -0.42 1 73 ILE 3.23 -0.79 1 74 GLN -2.00 0.81 1 75 LEU -5.50 3.59 1 76 ASP 2.38 -0.71 1 78 LEU -4.17 3.00 1 79 VAL -2.52 1.92 1 80 TRP -1.06 1.87 1 82 ALA -0.95 1.09 1 83 SER -5.40 3.47 1 84 LYS -3.89 3.09 1 85 LEU -2.09 0.43 1 86 VAL -3.04 2.50 1 88 VAL -0.28 -0.33 1 90 TYR 4.08 -2.96 1 92 ILE -0.57 0.10 1 93 ARG -3.35 2.02 1 94 LYS -4.68 1.86 1 95 LEU -2.86 1.77 1 96 GLN -3.91 3.01 1 97 ILE -5.93 3.95 1 98 GLN -3.41 2.15 1 100 VAL -2.49 1.54 1 101 VAL -7.41 2.61 1 102 GLU -1.18 -0.22 1 103 ASP 3.19 -0.28 1 104 ASP 2.04 -0.72 1 105 LYS -1.58 3.54 1 106 VAL -2.49 2.31 1 108 THR 6.73 -2.58 1 109 ASP 4.73 -1.66 1 110 LEU 2.92 -0.55 1 111 LEU 3.17 -0.10 1 112 GLU 4.78 -0.26 1 113 GLU 3.03 -0.05 1 114 GLU 2.34 -0.21 1 115 ILE 4.26 0.21 1 116 THR 4.16 -0.75 1 117 LYS 3.52 -1.04 1 118 PHE 4.20 -4.24 1 119 GLU 1.54 0.60 1 120 GLU 3.32 -1.15 1 122 VAL -0.20 0.97 1 123 GLN 1.24 -0.55 1 124 SER -2.00 1.54 1 125 VAL -4.47 2.37 1 126 ASP -5.68 4.05 1 127 ILE 2.20 -2.65 1 128 ALA 0.85 0.22 1 129 ALA -2.45 2.68 1 130 PHE -2.08 1.73 1 131 ASN -4.29 3.78 1 132 LYS 1.21 -0.61 1 133 ILE 1.73 0.67 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25690_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.41 _LACS_plot.Line_1_terminator_val_y_1 0.99 _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 0.32 _LACS_plot.Line_2_terminator_val_x_2 7.11 _LACS_plot.Line_2_terminator_val_y_2 -0.77 _LACS_plot.Y_axis_chem_shift_offset -0.08 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 123 GLN 1.24 -1.56 0 10 ASP 0.19 -0.05 1 11 LEU 0.97 -0.15 1 12 PHE 0.44 0.00 1 14 SER -0.16 0.05 1 15 ASP 0.36 0.01 1 16 ASN 0.07 -0.02 1 17 GLU 0.23 -0.08 1 18 GLU 0.16 -0.09 1 19 GLU -0.21 -0.12 1 20 ASP 0.00 -0.01 1 21 LYS 2.72 -0.17 1 22 GLU 2.10 -0.20 1 23 ALA 2.46 -0.15 1 24 ALA 2.85 -0.21 1 25 GLN 3.55 -0.19 1 26 LEU 2.88 -0.14 1 27 ARG 3.88 -0.29 1 28 GLU 2.16 -0.28 1 29 GLU 2.64 -0.21 1 30 ARG 4.24 -0.21 1 31 LEU 2.83 -0.15 1 32 ARG 2.96 -0.18 1 33 GLN 1.55 -0.19 1 34 TYR 2.06 -0.12 1 35 ALA 1.72 -0.18 1 36 GLU 1.07 -0.21 1 37 LYS 2.67 -0.15 1 38 LYS 1.75 -0.13 1 39 ALA -0.03 -0.06 1 40 LYS 0.06 -0.04 1 41 LYS 0.07 -0.03 1 43 ALA -0.21 -0.03 1 44 LEU -0.14 0.03 1 45 VAL -1.01 0.00 1 46 ALA 0.05 0.07 1 47 LYS -5.35 1.16 1 48 SER -1.97 0.64 1 49 SER -2.62 0.75 1 50 ILE -2.70 0.57 1 51 LEU -4.71 0.69 1 52 LEU -3.17 0.70 1 53 ASP -4.33 0.87 1 54 VAL -0.54 0.42 1 55 LYS -0.51 0.21 1 57 TRP 2.21 -0.39 1 58 ASP -0.27 -0.03 1 59 ASP 2.30 -0.29 1 60 GLU -1.21 0.09 1 61 THR 2.71 -0.18 1 62 ASP 0.05 -0.06 1 63 MET 3.80 0.11 1 64 ALA 4.31 -0.04 1 65 GLN 3.60 -0.42 1 66 LEU 5.03 -0.99 1 67 GLU 5.13 -1.03 1 68 ALA 4.09 -0.50 1 70 VAL 7.12 -0.95 1 71 ARG 3.84 -1.59 1 72 SER 1.82 -0.12 1 73 ILE 3.23 -0.13 1 74 GLN -2.00 0.56 1 75 LEU -5.50 0.26 1 76 ASP 2.38 -0.29 1 78 LEU -4.17 0.56 1 79 VAL -2.52 0.25 1 80 TRP -1.06 0.05 1 82 ALA -0.95 0.14 1 83 SER -5.40 1.16 1 84 LYS -3.89 0.24 1 85 LEU -2.09 0.99 1 86 VAL -3.04 0.20 1 88 VAL -0.28 0.33 1 90 TYR 4.08 -0.33 1 92 ILE -0.57 -0.01 1 93 ARG -3.35 0.67 1 94 LYS -4.68 0.51 1 95 LEU -2.86 0.40 1 96 GLN -3.91 1.61 1 97 ILE -5.93 0.93 1 98 GLN -3.41 1.14 1 100 VAL -2.49 0.91 1 101 VAL -7.41 1.51 1 102 GLU -1.18 0.36 1 103 ASP 3.19 -0.33 1 104 ASP 2.04 -0.23 1 105 LYS -1.58 0.10 1 106 VAL -2.49 0.09 1 108 THR 6.73 -0.64 1 109 ASP 4.73 -0.29 1 110 LEU 2.92 -0.07 1 111 LEU 3.17 -0.44 1 112 GLU 4.78 -0.63 1 113 GLU 3.03 -0.45 1 114 GLU 2.34 -0.30 1 115 ILE 4.26 -0.16 1 116 THR 4.16 -0.61 1 117 LYS 3.52 -0.15 1 118 PHE 4.20 0.48 1 119 GLU 1.54 0.16 1 120 GLU 3.32 -0.35 1 121 HIS -3.67 0.39 1 122 VAL -0.20 -0.52 1 124 SER -2.00 -0.06 1 125 VAL -4.47 0.90 1 126 ASP -5.68 0.45 1 127 ILE 2.20 0.05 1 128 ALA 0.85 0.00 1 129 ALA -2.45 0.18 1 130 PHE -2.08 0.51 1 131 ASN -4.29 0.28 1 132 LYS 1.21 0.23 1 133 ILE 1.73 -0.06 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25690_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.41 _LACS_plot.Line_1_terminator_val_y_1 -3.12 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.73 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.93 _LACS_plot.Line_2_terminator_val_x_2 7.11 _LACS_plot.Line_2_terminator_val_y_2 2.72 _LACS_plot.Y_axis_chem_shift_offset 0.11 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 101 VAL -7.41 -0.64 0 133 ILE 1.73 4.58 0 70 VAL 7.12 -0.57 0 10 ASP 0.19 0.12 1 11 LEU 0.97 -0.11 1 12 PHE 0.44 0.77 1 14 SER -0.16 -0.27 1 15 ASP 0.36 -0.29 1 16 ASN 0.07 0.14 1 17 GLU 0.23 0.24 1 18 GLU 0.16 0.24 1 19 GLU -0.21 -0.03 1 20 ASP 0.00 0.50 1 21 LYS 2.72 1.72 1 22 GLU 2.10 1.56 1 23 ALA 2.46 2.22 1 24 ALA 2.85 2.02 1 25 GLN 3.55 2.23 1 26 LEU 2.88 1.41 1 27 ARG 3.88 1.86 1 28 GLU 2.16 2.23 1 29 GLU 2.64 1.97 1 30 ARG 4.24 2.36 1 31 LEU 2.83 1.75 1 32 ARG 2.96 1.90 1 33 GLN 1.55 1.60 1 34 TYR 2.06 0.94 1 35 ALA 1.72 1.26 1 36 GLU 1.07 1.03 1 37 LYS 2.67 0.87 1 38 LYS 1.75 0.05 1 39 ALA -0.03 -0.13 1 40 LYS 0.06 -0.21 1 41 LYS 0.07 -0.33 1 43 ALA -0.21 -0.26 1 44 LEU -0.14 -0.65 1 45 VAL -1.01 -1.16 1 46 ALA 0.05 -0.65 1 47 LYS -5.35 -0.18 1 48 SER -1.97 -2.71 1 49 SER -2.62 -0.49 1 50 ILE -2.70 -2.58 1 51 LEU -4.71 -2.37 1 52 LEU -3.17 -3.02 1 53 ASP -4.33 -0.52 1 54 VAL -0.54 -1.56 1 55 LYS -0.51 -0.61 1 57 TRP 2.21 0.60 1 58 ASP -0.27 -0.69 1 59 ASP 2.30 -0.07 1 60 GLU -1.21 0.92 1 61 THR 2.71 -0.49 1 62 ASP 0.05 0.04 1 63 MET 3.80 4.13 1 64 ALA 4.31 3.30 1 65 GLN 3.60 2.11 1 66 LEU 5.03 0.40 1 67 GLU 5.13 0.00 1 68 ALA 4.09 3.30 1 71 ARG 3.84 0.01 1 72 SER 1.82 0.15 1 73 ILE 3.23 -0.99 1 74 GLN -2.00 -1.45 1 75 LEU -5.50 -1.68 1 76 ASP 2.38 0.13 1 78 LEU -4.17 -2.12 1 79 VAL -2.52 0.13 1 80 TRP -1.06 1.02 1 82 ALA -0.95 -1.10 1 83 SER -5.40 -0.98 1 84 LYS -3.89 -2.61 1 85 LEU -2.09 -0.11 1 86 VAL -3.04 -1.00 1 88 VAL -0.28 -0.72 1 90 TYR 4.08 0.19 1 92 ILE -0.57 -0.70 1 93 ARG -3.35 -2.00 1 94 LYS -4.68 -2.25 1 95 LEU -2.86 -3.25 1 96 GLN -3.91 -1.01 1 97 ILE -5.93 -4.98 1 98 GLN -3.41 -0.44 1 100 VAL -2.49 -0.04 1 102 GLU -1.18 0.29 1 103 ASP 3.19 0.60 1 104 ASP 2.04 -0.01 1 105 LYS -1.58 -0.09 1 106 VAL -2.49 -2.90 1 108 THR 6.73 0.07 1 109 ASP 4.73 2.13 1 110 LEU 2.92 0.83 1 111 LEU 3.17 0.86 1 112 GLU 4.78 2.57 1 113 GLU 3.03 2.17 1 114 GLU 2.34 2.21 1 115 ILE 4.26 1.23 1 116 THR 4.16 1.34 1 117 LYS 3.52 2.23 1 118 PHE 4.20 1.83 1 119 GLU 1.54 1.06 1 120 GLU 3.32 0.11 1 121 HIS -3.67 -0.14 1 122 VAL -0.20 -3.03 1 123 GLN 1.24 -0.22 1 124 SER -2.00 -3.31 1 125 VAL -4.47 -3.32 1 126 ASP -5.68 -1.49 1 127 ILE 2.20 -1.07 1 128 ALA 0.85 0.17 1 129 ALA -2.45 -2.91 1 130 PHE -2.08 -1.83 1 131 ASN -4.29 -1.86 1 132 LYS 1.21 -0.18 1 stop_ save_