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 bmr18459_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.47 _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 0.75 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.52 _LACS_plot.Line_2_terminator_val_x_2 6.87 _LACS_plot.Line_2_terminator_val_y_2 5.07 _LACS_plot.Y_axis_chem_shift_offset 0.01 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 78 ASP 6.88 1.53 0 88 ARG -2.50 -4.05 0 10 MET 0.41 0.16 1 11 SER -0.23 -0.04 1 12 ASP 0.89 0.53 1 13 TYR -0.34 -0.38 1 14 ASP -0.15 -0.04 1 15 ILE -0.04 -0.02 1 17 THR -0.10 -0.09 1 18 THR 0.44 0.26 1 19 GLU -0.10 0.22 1 20 ASN 0.37 0.20 1 21 LEU 0.47 0.35 1 22 TYR 0.24 0.07 1 23 PHE 0.36 0.09 1 24 GLU 0.09 -0.64 1 26 ALA -0.10 0.04 1 27 MET 0.42 0.00 1 29 PHE 0.95 0.24 1 30 THR -1.19 -0.58 1 32 ARG 0.89 1.00 1 33 LYS 0.09 0.56 1 34 ILE -5.21 -1.73 1 35 SER -2.57 -0.92 1 36 LEU -5.76 -1.29 1 37 ASP -2.33 -0.58 1 38 PHE -3.85 -1.77 1 39 GLN -0.58 -1.07 1 40 ASP 1.98 1.10 1 41 VAL -3.11 -1.37 1 42 GLU 1.11 0.73 1 43 ILE 4.87 3.15 1 44 ARG 5.75 4.75 1 45 THR 5.92 4.36 1 46 ILE 6.36 4.80 1 47 LEU 4.46 2.95 1 48 GLN 4.16 2.92 1 49 ILE 5.08 3.72 1 50 LEU 4.15 2.92 1 51 ALA 3.64 3.02 1 52 LYS 3.98 2.86 1 53 GLU 1.34 1.01 1 54 SER 0.62 1.15 1 56 MET -2.61 -1.43 1 57 ASN -0.19 -1.16 1 58 ILE -0.46 -0.22 1 59 VAL -1.75 -0.93 1 60 ALA -3.05 -2.63 1 61 SER -0.20 -0.07 1 62 ASP 3.69 2.71 1 63 SER 0.59 -0.31 1 64 VAL 3.95 1.54 1 65 ASN -3.16 -0.79 1 67 LYS -4.63 -0.93 1 68 MET -4.35 0.09 1 69 THR -1.70 -0.29 1 70 LEU -4.48 -0.28 1 71 SER -1.35 -1.47 1 72 LEU -4.64 -1.91 1 73 LYS -2.26 -1.53 1 74 ASP 2.34 1.02 1 75 VAL -3.68 -1.70 1 77 TRP 4.52 3.14 1 79 GLN 3.91 2.19 1 80 ALA 3.42 2.58 1 81 LEU 3.64 2.83 1 82 ASP 2.67 4.11 1 83 LEU 4.02 3.34 1 84 VAL 5.81 4.55 1 85 MET 5.05 4.71 1 86 GLN 3.71 2.92 1 87 ALA 2.40 2.02 1 89 ASN 3.17 1.27 1 90 LEU -3.67 -2.01 1 91 ASP -6.01 -1.87 1 92 MET -6.47 -2.09 1 93 ARG -4.04 -1.57 1 94 GLN -0.99 -0.57 1 95 GLN -1.69 -0.90 1 97 ASN 0.32 -0.11 1 98 ILE -1.34 -0.42 1 99 VAL -0.92 -0.78 1 100 ASN -2.32 -0.26 1 101 ILE -2.85 -1.94 1 102 ALA -2.86 -0.40 1 104 ARG 4.42 3.84 1 105 ASP 3.35 2.13 1 106 GLU 1.30 1.54 1 107 LEU 2.64 1.53 1 108 LEU 2.00 1.60 1 109 ALA 2.19 1.36 1 110 LYS 2.14 1.59 1 111 ASP 1.79 1.49 1 112 LYS 2.01 1.41 1 113 ALA 1.49 0.94 1 114 PHE 1.31 0.80 1 115 LEU 0.83 0.56 1 116 GLN 0.68 0.42 1 117 ALA 0.60 0.45 1 118 GLU 0.42 0.49 1 119 LYS 0.63 0.51 1 120 ASP 0.60 0.53 1 121 ILE 0.75 0.40 1 122 ALA 0.49 0.40 1 123 ASP 0.22 0.09 1 124 LEU 1.12 0.65 1 126 ALA -0.41 -0.26 1 127 LEU 0.00 0.01 1 128 TYR 0.23 0.83 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18459_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.47 _LACS_plot.Line_1_terminator_val_y_1 4.12 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.25 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.48 _LACS_plot.Line_2_terminator_val_x_2 6.87 _LACS_plot.Line_2_terminator_val_y_2 -1.80 _LACS_plot.Y_axis_chem_shift_offset 0.01 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 78 ASP 6.88 -5.35 0 88 ARG -2.50 -1.55 0 10 MET 0.41 -0.25 1 11 SER -0.23 0.19 1 12 ASP 0.89 -0.36 1 13 TYR -0.34 -0.04 1 14 ASP -0.15 0.11 1 15 ILE -0.04 0.02 1 17 THR -0.10 0.01 1 18 THR 0.44 -0.18 1 19 GLU -0.10 0.32 1 20 ASN 0.37 -0.17 1 21 LEU 0.47 -0.12 1 22 TYR 0.24 -0.17 1 23 PHE 0.36 -0.27 1 24 GLU 0.09 -0.73 1 26 ALA -0.10 0.14 1 27 MET 0.42 -0.42 1 29 PHE 0.95 -0.71 1 30 THR -1.19 0.61 1 32 ARG 0.89 0.11 1 33 LYS 0.09 0.47 1 34 ILE -5.21 3.48 1 35 SER -2.57 1.65 1 36 LEU -5.76 4.47 1 37 ASP -2.33 1.75 1 38 PHE -3.85 2.08 1 39 GLN -0.58 -0.49 1 40 ASP 1.98 -0.88 1 41 VAL -3.11 1.74 1 42 GLU 1.11 -0.38 1 43 ILE 4.87 -1.72 1 44 ARG 5.75 -1.00 1 45 THR 5.92 -1.56 1 46 ILE 6.36 -1.56 1 47 LEU 4.46 -1.51 1 48 GLN 4.16 -1.24 1 49 ILE 5.08 -1.36 1 50 LEU 4.15 -1.23 1 51 ALA 3.64 -0.62 1 52 LYS 3.98 -1.12 1 53 GLU 1.34 -0.33 1 54 SER 0.62 0.53 1 56 MET -2.61 1.18 1 57 ASN -0.19 -0.97 1 58 ILE -0.46 0.24 1 59 VAL -1.75 0.82 1 60 ALA -3.05 0.42 1 61 SER -0.20 0.13 1 62 ASP 3.69 -0.98 1 63 SER 0.59 -0.90 1 64 VAL 3.95 -2.41 1 65 ASN -3.16 2.37 1 67 LYS -4.63 3.70 1 68 MET -4.35 4.44 1 69 THR -1.70 1.41 1 70 LEU -4.48 4.20 1 71 SER -1.35 -0.12 1 72 LEU -4.64 2.73 1 73 LYS -2.26 0.73 1 74 ASP 2.34 -1.32 1 75 VAL -3.68 1.98 1 77 TRP 4.52 -1.38 1 79 GLN 3.91 -1.72 1 80 ALA 3.42 -0.84 1 81 LEU 3.64 -0.81 1 82 ASP 2.67 1.44 1 83 LEU 4.02 -0.68 1 84 VAL 5.81 -1.26 1 85 MET 5.05 -0.34 1 86 GLN 3.71 -0.79 1 87 ALA 2.40 -0.38 1 89 ASN 3.17 -1.90 1 90 LEU -3.67 1.66 1 91 ASP -6.01 4.14 1 92 MET -6.47 4.38 1 93 ARG -4.04 2.47 1 94 GLN -0.99 0.42 1 95 GLN -1.69 0.79 1 97 ASN 0.32 -0.43 1 98 ILE -1.34 0.92 1 99 VAL -0.92 0.14 1 100 ASN -2.32 2.06 1 101 ILE -2.85 0.91 1 102 ALA -2.86 2.46 1 104 ARG 4.42 -0.58 1 105 ASP 3.35 -1.22 1 106 GLU 1.30 0.24 1 107 LEU 2.64 -1.11 1 108 LEU 2.00 -0.40 1 109 ALA 2.19 -0.83 1 110 LYS 2.14 -0.55 1 111 ASP 1.79 -0.30 1 112 LYS 2.01 -0.60 1 113 ALA 1.49 -0.55 1 114 PHE 1.31 -0.51 1 115 LEU 0.83 -0.27 1 116 GLN 0.68 -0.26 1 117 ALA 0.60 -0.15 1 118 GLU 0.42 0.07 1 119 LYS 0.63 -0.12 1 120 ASP 0.60 -0.07 1 121 ILE 0.75 -0.35 1 122 ALA 0.49 -0.09 1 123 ASP 0.22 -0.13 1 124 LEU 1.12 -0.47 1 126 ALA -0.41 0.15 1 127 LEU 0.00 0.01 1 128 TYR 0.23 0.60 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18459_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.47 _LACS_plot.Line_1_terminator_val_y_1 0.50 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.28 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.11 _LACS_plot.Line_2_terminator_val_x_2 6.87 _LACS_plot.Line_2_terminator_val_y_2 -0.77 _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 54 SER 0.62 -1.40 0 10 MET 0.41 -0.06 1 11 SER -0.23 -0.11 1 12 ASP 0.89 -0.19 1 13 TYR -0.34 -0.08 1 14 ASP -0.15 -0.11 1 15 ILE -0.04 -0.12 1 17 THR -0.10 -0.02 1 18 THR 0.44 -0.11 1 19 GLU -0.10 -0.17 1 20 ASN 0.37 -0.17 1 21 LEU 0.47 -0.20 1 22 TYR 0.24 -0.14 1 23 PHE 0.36 -0.18 1 24 GLU 0.09 -0.20 1 26 ALA -0.10 -0.12 1 27 MET 0.42 -0.19 1 29 PHE 0.95 0.00 1 30 THR -1.19 0.05 1 32 ARG 0.89 -0.17 1 33 LYS 0.09 -0.20 1 34 ILE -5.21 0.45 1 35 SER -2.57 0.58 1 36 LEU -5.76 -0.01 1 37 ASP -2.33 0.33 1 38 PHE -3.85 0.27 1 39 GLN -0.58 0.22 1 40 ASP 1.98 -0.87 1 41 VAL -3.11 0.10 1 42 GLU 1.11 -0.05 1 43 ILE 4.87 -0.82 1 44 ARG 5.75 -0.75 1 45 THR 5.92 -0.46 1 46 ILE 6.36 -1.19 1 47 LEU 4.46 -0.58 1 48 GLN 4.16 -0.25 1 49 ILE 5.08 -0.40 1 50 LEU 4.15 -0.46 1 51 ALA 3.64 -0.55 1 52 LYS 3.98 -0.41 1 53 GLU 1.34 -0.33 1 56 MET -2.61 -0.07 1 57 ASN -0.19 -0.05 1 58 ILE -0.46 0.50 1 59 VAL -1.75 0.00 1 60 ALA -3.05 0.76 1 61 SER -0.20 -0.08 1 62 ASP 3.69 -0.32 1 63 SER 0.59 -0.27 1 64 VAL 3.95 -0.38 1 65 ASN -3.16 0.23 1 67 LYS -4.63 0.53 1 68 MET -4.35 0.14 1 69 THR -1.70 0.43 1 70 LEU -4.48 0.21 1 71 SER -1.35 0.57 1 72 LEU -4.64 0.32 1 73 LYS -2.26 0.21 1 74 ASP 2.34 -0.85 1 75 VAL -3.68 0.21 1 77 TRP 4.52 -0.72 1 78 ASP 6.88 -1.11 1 79 GLN 3.91 -1.45 1 80 ALA 3.42 -0.59 1 81 LEU 3.64 -0.62 1 82 ASP 2.67 -0.39 1 83 LEU 4.02 -0.44 1 84 VAL 5.81 -0.83 1 85 MET 5.05 -0.76 1 86 GLN 3.71 -0.22 1 87 ALA 2.40 -0.19 1 88 ARG -2.50 0.26 1 89 ASN 3.17 -0.32 1 90 LEU -3.67 0.33 1 91 ASP -6.01 0.23 1 92 MET -6.47 1.18 1 93 ARG -4.04 0.20 1 94 GLN -0.99 0.63 1 95 GLN -1.69 0.13 1 97 ASN 0.32 -0.02 1 98 ILE -1.34 0.30 1 99 VAL -0.92 0.09 1 100 ASN -2.32 0.57 1 101 ILE -2.85 0.84 1 102 ALA -2.86 -0.01 1 104 ARG 4.42 -0.58 1 105 ASP 3.35 -0.32 1 106 GLU 1.30 -0.30 1 107 LEU 2.64 -0.31 1 108 LEU 2.00 -0.24 1 109 ALA 2.19 -0.24 1 110 LYS 2.14 -0.25 1 111 ASP 1.79 -0.20 1 112 LYS 2.01 -0.23 1 113 ALA 1.49 -0.20 1 114 PHE 1.31 -0.18 1 115 LEU 0.83 -0.20 1 116 GLN 0.68 -0.22 1 117 ALA 0.60 -0.13 1 118 GLU 0.42 -0.25 1 119 LYS 0.63 -0.15 1 120 ASP 0.60 -0.15 1 121 ILE 0.75 -0.13 1 122 ALA 0.49 -0.15 1 123 ASP 0.22 -0.14 1 124 LEU 1.12 -0.16 1 126 ALA -0.41 -0.11 1 127 LEU 0.00 -0.16 1 128 TYR 0.23 -0.25 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18459_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.47 _LACS_plot.Line_1_terminator_val_y_1 -3.11 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.31 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.35 _LACS_plot.Line_2_terminator_val_x_2 6.87 _LACS_plot.Line_2_terminator_val_y_2 2.28 _LACS_plot.Y_axis_chem_shift_offset 0.51 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 128 TYR 0.23 4.29 0 11 SER -0.23 -0.38 1 12 ASP 0.89 -0.50 1 13 TYR -0.34 -0.69 1 14 ASP -0.15 -0.90 1 15 ILE -0.04 3.46 1 17 THR -0.10 0.14 1 18 THR 0.44 -0.27 1 19 GLU -0.10 -0.73 1 20 ASN 0.37 -0.26 1 21 LEU 0.47 -0.68 1 22 TYR 0.24 -0.43 1 23 PHE 0.36 -0.45 1 24 GLU 0.09 -0.51 1 26 ALA -0.10 -0.12 1 27 MET 0.42 -0.05 1 29 PHE 0.95 1.04 1 30 THR -1.19 0.37 1 32 ARG 0.89 -0.50 1 33 LYS 0.09 -0.14 1 34 ILE -5.21 -1.77 1 35 SER -2.57 -1.84 1 36 LEU -5.76 -3.72 1 37 ASP -2.33 -2.51 1 38 PHE -3.85 -0.80 1 39 GLN -0.58 -2.66 1 40 ASP 1.98 -2.82 1 41 VAL -3.11 -1.04 1 42 GLU 1.11 1.52 1 43 ILE 4.87 1.08 1 44 ARG 5.75 2.11 1 45 THR 5.92 0.78 1 46 ILE 6.36 1.43 1 47 LEU 4.46 0.46 1 48 GLN 4.16 3.31 1 49 ILE 5.08 2.21 1 50 LEU 4.15 2.33 1 51 ALA 3.64 1.27 1 52 LYS 3.98 3.08 1 53 GLU 1.34 1.03 1 54 SER 0.62 0.78 1 56 MET -2.61 -1.38 1 57 ASN -0.19 -1.47 1 58 ILE -0.46 -1.12 1 59 VAL -1.75 -1.77 1 60 ALA -3.05 -0.32 1 61 SER -0.20 0.95 1 62 ASP 3.69 -0.02 1 63 SER 0.59 0.24 1 64 VAL 3.95 -2.61 1 65 ASN -3.16 -1.22 1 67 LYS -4.63 -0.97 1 68 MET -4.35 -3.24 1 69 THR -1.70 -1.53 1 70 LEU -4.48 -4.21 1 71 SER -1.35 -1.25 1 72 LEU -4.64 -2.26 1 73 LYS -2.26 -2.88 1 74 ASP 2.34 -2.34 1 77 TRP 4.52 -0.25 1 78 ASP 6.88 1.84 1 79 GLN 3.91 1.62 1 80 ALA 3.42 0.33 1 81 LEU 3.64 0.14 1 82 ASP 2.67 1.40 1 83 LEU 4.02 2.92 1 84 VAL 5.81 0.76 1 85 MET 5.05 3.07 1 86 GLN 3.71 3.38 1 87 ALA 2.40 1.62 1 88 ARG -2.50 -1.79 1 89 ASN 3.17 -0.98 1 90 LEU -3.67 -3.13 1 91 ASP -6.01 -3.15 1 92 MET -6.47 -0.61 1 93 ARG -4.04 -1.61 1 94 GLN -0.99 -0.86 1 95 GLN -1.69 -0.27 1 97 ASN 0.32 -1.28 1 98 ILE -1.34 -1.53 1 99 VAL -0.92 -2.35 1 100 ASN -2.32 -0.67 1 101 ILE -2.85 -2.66 1 102 ALA -2.86 -3.06 1 108 LEU 2.00 0.83 1 109 ALA 2.19 1.51 1 110 LYS 2.14 0.27 1 111 ASP 1.79 -0.11 1 112 LYS 2.01 -1.19 1 113 ALA 1.49 -3.28 1 114 PHE 1.31 -0.58 1 118 GLU 0.42 -0.26 1 121 ILE 0.75 -0.08 1 123 ASP 0.22 0.16 1 124 LEU 1.12 0.54 1 126 ALA -0.41 -0.47 1 127 LEU 0.00 -1.67 1 stop_ save_