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 bmr26618_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.54 _LACS_plot.Line_1_terminator_val_y_1 -2.91 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.93 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.37 _LACS_plot.Line_2_terminator_val_x_2 6.13 _LACS_plot.Line_2_terminator_val_y_2 4.51 _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 71 HIS 0.77 4.73 0 10 ASN -0.14 -0.48 1 11 THR -5.94 -2.72 1 12 LEU 1.06 1.51 1 13 ASP -0.91 -0.11 1 14 SER 3.09 2.08 1 16 LEU 1.51 1.38 1 17 ASP -4.36 -2.21 1 19 ARG -0.21 -1.60 1 20 PHE 3.59 4.23 1 22 ARG -1.91 -2.12 1 23 ALA -0.21 -0.10 1 24 ARG 1.65 1.42 1 25 SER -3.97 -1.23 1 26 PHE -6.54 -5.15 1 27 ILE 0.82 -1.89 1 28 VAL 1.24 -0.88 1 30 ASP -3.51 -1.72 1 31 THR 4.55 3.05 1 32 GLU 1.38 1.56 1 33 THR -1.00 -0.33 1 35 ALA 0.33 0.67 1 36 THR -4.88 -1.84 1 37 HIS -2.30 1.19 1 38 ALA -4.26 -1.95 1 39 VAL -3.75 -1.11 1 40 ASP 0.06 -0.18 1 41 VAL 2.52 0.51 1 42 SER 3.09 2.51 1 43 ALA 1.61 1.21 1 44 ASN -0.25 -0.20 1 45 MET 0.87 0.63 1 46 ASN -0.78 -0.67 1 47 LEU 0.98 0.45 1 48 ALA 1.33 0.84 1 49 GLN -0.71 -0.01 1 51 ALA -2.23 -0.52 1 53 ILE 4.06 2.50 1 54 GLN 4.37 3.36 1 55 ALA 4.34 2.95 1 56 ALA 4.24 3.55 1 57 GLN 3.94 2.45 1 58 MET 4.21 3.78 1 59 ALA 5.61 2.88 1 60 ALA 4.23 2.71 1 61 ASP 4.01 2.94 1 62 ALA 1.22 -0.36 1 64 ALA 0.32 0.51 1 65 GLU -2.60 -0.37 1 66 ALA -5.18 -1.88 1 67 VAL -5.42 -2.85 1 68 ILE -1.22 -1.12 1 69 THR -0.94 -2.47 1 72 VAL -3.10 -1.44 1 75 LYS 4.78 3.19 1 76 ALA 2.91 2.45 1 77 PHE 4.98 4.65 1 78 THR 6.13 5.13 1 79 ALA 4.06 2.97 1 80 LEU 4.84 2.83 1 81 ASN 3.85 3.78 1 82 ARG 4.28 2.84 1 84 HIS 4.06 1.47 1 85 ILE 1.25 0.17 1 86 ALA -2.08 -0.45 1 87 VAL -1.75 -0.94 1 88 TYR -2.62 -1.08 1 89 LEU -1.19 -2.47 1 91 ASP -1.65 -1.65 1 92 LEU 0.01 -0.40 1 93 ALA 1.87 3.24 1 94 THR -3.92 -1.60 1 96 ARG 5.45 4.74 1 97 GLU 0.75 2.21 1 98 ALA 2.45 2.51 1 99 LEU 3.28 2.65 1 100 ALA 4.03 2.54 1 101 ALA 3.95 2.74 1 102 PHE 3.95 3.46 1 103 ILE 4.52 3.48 1 104 GLU -0.09 0.24 1 106 LYS 0.06 0.46 1 107 LEU -2.44 -1.56 1 108 ARG -2.26 -1.29 1 110 ALA -0.27 -0.48 1 111 ASP -1.03 -0.24 1 112 THR -0.69 -0.55 1 113 ALA -0.21 -0.20 1 114 ASP -0.14 0.03 1 115 ARG -0.38 -0.36 1 116 GLU -0.34 -0.05 1 118 HIS -0.74 1.03 1 119 TRP 0.64 1.10 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26618_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.54 _LACS_plot.Line_1_terminator_val_y_1 3.63 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.07 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.63 _LACS_plot.Line_2_terminator_val_x_2 6.13 _LACS_plot.Line_2_terminator_val_y_2 -1.62 _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 71 HIS 0.77 3.96 0 10 ASN -0.14 -0.34 1 11 THR -5.94 3.22 1 12 LEU 1.06 0.45 1 13 ASP -0.91 0.80 1 14 SER 3.09 -1.01 1 16 LEU 1.51 -0.13 1 17 ASP -4.36 2.15 1 19 ARG -0.21 -1.39 1 20 PHE 3.59 0.64 1 22 ARG -1.91 -0.21 1 23 ALA -0.21 0.11 1 24 ARG 1.65 -0.23 1 25 SER -3.97 2.74 1 26 PHE -6.54 1.39 1 27 ILE 0.82 -2.71 1 28 VAL 1.24 -2.12 1 30 ASP -3.51 1.79 1 31 THR 4.55 -1.50 1 32 GLU 1.38 0.18 1 33 THR -1.00 0.67 1 35 ALA 0.33 0.34 1 36 THR -4.88 3.04 1 37 HIS -2.30 3.49 1 38 ALA -4.26 2.31 1 39 VAL -3.75 2.64 1 40 ASP 0.06 -0.24 1 41 VAL 2.52 -2.01 1 42 SER 3.09 -0.58 1 43 ALA 1.61 -0.40 1 44 ASN -0.25 0.05 1 45 MET 0.87 -0.24 1 46 ASN -0.78 0.11 1 47 LEU 0.98 -0.53 1 48 ALA 1.33 -0.49 1 49 GLN -0.71 0.70 1 51 ALA -2.23 1.71 1 53 ILE 4.06 -1.56 1 54 GLN 4.37 -1.01 1 55 ALA 4.34 -1.39 1 56 ALA 4.24 -0.69 1 57 GLN 3.94 -1.49 1 58 MET 4.21 -0.43 1 59 ALA 5.61 -2.73 1 60 ALA 4.23 -1.52 1 61 ASP 4.01 -1.07 1 62 ALA 1.22 -1.58 1 64 ALA 0.32 0.19 1 65 GLU -2.60 2.23 1 66 ALA -5.18 3.30 1 67 VAL -5.42 2.57 1 68 ILE -1.22 0.10 1 69 THR -0.94 -1.53 1 72 VAL -3.10 1.66 1 75 LYS 4.78 -1.59 1 76 ALA 2.91 -0.46 1 77 PHE 4.98 -0.33 1 78 THR 6.13 -1.00 1 79 ALA 4.06 -1.09 1 80 LEU 4.84 -2.01 1 81 ASN 3.85 -0.07 1 82 ARG 4.28 -1.44 1 84 HIS 4.06 -2.59 1 85 ILE 1.25 -1.08 1 86 ALA -2.08 1.63 1 87 VAL -1.75 0.81 1 88 TYR -2.62 1.54 1 89 LEU -1.19 -1.28 1 91 ASP -1.65 0.00 1 92 LEU 0.01 -0.41 1 93 ALA 1.87 1.37 1 94 THR -3.92 2.32 1 96 ARG 5.45 -0.71 1 97 GLU 0.75 1.46 1 98 ALA 2.45 0.06 1 99 LEU 3.28 -0.63 1 100 ALA 4.03 -1.49 1 101 ALA 3.95 -1.21 1 102 PHE 3.95 -0.49 1 103 ILE 4.52 -1.04 1 104 GLU -0.09 0.33 1 106 LYS 0.06 0.40 1 107 LEU -2.44 0.88 1 108 ARG -2.26 0.97 1 110 ALA -0.27 -0.21 1 111 ASP -1.03 0.79 1 112 THR -0.69 0.14 1 113 ALA -0.21 0.01 1 114 ASP -0.14 0.17 1 115 ARG -0.38 0.02 1 116 GLU -0.34 0.29 1 118 HIS -0.74 1.77 1 119 TRP 0.64 0.46 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26618_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.54 _LACS_plot.Line_1_terminator_val_y_1 0.66 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.27 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.15 _LACS_plot.Line_2_terminator_val_x_2 6.13 _LACS_plot.Line_2_terminator_val_y_2 -0.71 _LACS_plot.Y_axis_chem_shift_offset 0.06 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 68 ILE -1.22 0.99 0 46 ASN -0.78 -0.88 0 10 ASN -0.14 -0.22 1 11 THR -5.94 0.45 1 12 LEU 1.06 -0.54 1 13 ASP -0.91 0.22 1 14 SER 3.09 -0.32 1 16 LEU 1.51 -0.28 1 17 ASP -4.36 0.15 1 19 ARG -0.21 -0.06 1 20 PHE 3.59 -0.38 1 22 ARG -1.91 0.03 1 23 ALA -0.21 -0.22 1 24 ARG 1.65 -0.26 1 25 SER -3.97 0.75 1 26 PHE -6.54 0.79 1 27 ILE 0.82 0.26 1 28 VAL 1.24 0.34 1 30 ASP -3.51 0.59 1 31 THR 4.55 -0.40 1 32 GLU 1.38 -0.05 1 33 THR -1.00 0.01 1 35 ALA 0.33 -0.06 1 36 THR -4.88 1.17 1 37 HIS -2.30 0.03 1 38 ALA -4.26 1.12 1 39 VAL -3.75 0.09 1 40 ASP 0.06 0.06 1 41 VAL 2.52 -0.28 1 42 SER 3.09 -0.42 1 43 ALA 1.61 -0.24 1 44 ASN -0.25 -0.15 1 45 MET 0.87 -0.25 1 47 LEU 0.98 -0.15 1 48 ALA 1.33 -0.19 1 49 GLN -0.71 -0.02 1 51 ALA -2.23 1.04 1 53 ILE 4.06 -0.44 1 54 GLN 4.37 -0.26 1 55 ALA 4.34 -0.51 1 56 ALA 4.24 -0.16 1 57 GLN 3.94 -0.45 1 58 MET 4.21 -0.32 1 59 ALA 5.61 -0.55 1 60 ALA 4.23 -0.26 1 61 ASP 4.01 -0.33 1 62 ALA 1.22 -0.02 1 64 ALA 0.32 -0.65 1 65 GLU -2.60 0.12 1 66 ALA -5.18 1.07 1 67 VAL -5.42 0.76 1 69 THR -0.94 0.20 1 71 HIS 0.77 0.44 1 72 VAL -3.10 0.22 1 75 LYS 4.78 -0.27 1 76 ALA 2.91 -0.51 1 77 PHE 4.98 -1.00 1 78 THR 6.13 -0.63 1 79 ALA 4.06 -0.42 1 80 LEU 4.84 -0.55 1 81 ASN 3.85 -0.68 1 82 ARG 4.28 -0.49 1 84 HIS 4.06 -0.65 1 85 ILE 1.25 -0.35 1 86 ALA -2.08 -0.26 1 87 VAL -1.75 0.22 1 88 TYR -2.62 -0.04 1 89 LEU -1.19 0.84 1 91 ASP -1.65 0.19 1 92 LEU 0.01 0.02 1 93 ALA 1.87 -0.21 1 94 THR -3.92 0.67 1 96 ARG 5.45 -0.81 1 97 GLU 0.75 -0.37 1 98 ALA 2.45 -0.34 1 99 LEU 3.28 -0.60 1 100 ALA 4.03 -0.32 1 101 ALA 3.95 -0.39 1 102 PHE 3.95 -0.69 1 103 ILE 4.52 -0.68 1 104 GLU -0.09 -0.27 1 106 LYS 0.06 -0.19 1 107 LEU -2.44 0.41 1 108 ARG -2.26 0.24 1 110 ALA -0.27 -0.11 1 111 ASP -1.03 -0.01 1 112 THR -0.69 -0.59 1 113 ALA -0.21 -0.47 1 114 ASP -0.14 -0.18 1 115 ARG -0.38 -0.16 1 116 GLU -0.34 -0.19 1 118 HIS -0.74 -0.25 1 119 TRP 0.64 -0.30 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26618_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.54 _LACS_plot.Line_1_terminator_val_y_1 -2.46 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.59 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.96 _LACS_plot.Line_2_terminator_val_x_2 6.13 _LACS_plot.Line_2_terminator_val_y_2 2.06 _LACS_plot.Y_axis_chem_shift_offset 0.17 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 14 SER 3.09 -4.85 0 10 ASN -0.14 -0.47 1 11 THR -5.94 0.30 1 12 LEU 1.06 -1.78 1 13 ASP -0.91 -1.00 1 16 LEU 1.51 -1.08 1 17 ASP -4.36 0.59 1 19 ARG -0.21 -1.63 1 22 ARG -1.91 -1.53 1 23 ALA -0.21 -0.35 1 24 ARG 1.65 0.85 1 25 SER -3.97 -1.43 1 26 PHE -6.54 -0.43 1 27 ILE 0.82 -1.16 1 28 VAL 1.24 -0.41 1 30 ASP -3.51 2.05 1 31 THR 4.55 1.03 1 32 GLU 1.38 1.45 1 33 THR -1.00 1.99 1 35 ALA 0.33 -0.35 1 36 THR -4.88 -0.83 1 37 HIS -2.30 -2.38 1 38 ALA -4.26 -0.72 1 39 VAL -3.75 -1.70 1 40 ASP 0.06 -0.21 1 41 VAL 2.52 0.42 1 42 SER 3.09 1.27 1 43 ALA 1.61 0.31 1 44 ASN -0.25 0.13 1 45 MET 0.87 -0.43 1 46 ASN -0.78 2.08 1 48 ALA 1.33 0.17 1 49 GLN -0.71 0.16 1 53 ILE 4.06 1.81 1 54 GLN 4.37 2.44 1 55 ALA 4.34 1.32 1 56 ALA 4.24 1.66 1 57 GLN 3.94 2.04 1 58 MET 4.21 3.00 1 59 ALA 5.61 0.33 1 60 ALA 4.23 4.61 1 61 ASP 4.01 1.48 1 62 ALA 1.22 -0.67 1 64 ALA 0.32 -1.15 1 65 GLU -2.60 -0.19 1 66 ALA -5.18 -2.79 1 67 VAL -5.42 -2.73 1 68 ILE -1.22 -2.33 1 69 THR -0.94 -2.64 1 71 HIS 0.77 -0.56 1 72 VAL -3.10 -2.29 1 75 LYS 4.78 3.25 1 76 ALA 2.91 0.50 1 77 PHE 4.98 1.74 1 78 THR 6.13 1.09 1 79 ALA 4.06 2.72 1 80 LEU 4.84 0.90 1 81 ASN 3.85 4.66 1 82 ARG 4.28 0.91 1 84 HIS 4.06 -0.29 1 85 ILE 1.25 -1.67 1 86 ALA -2.08 -2.33 1 87 VAL -1.75 -3.13 1 88 TYR -2.62 -2.19 1 89 LEU -1.19 0.31 1 91 ASP -1.65 -0.61 1 92 LEU 0.01 -1.01 1 93 ALA 1.87 2.23 1 94 THR -3.92 0.11 1 96 ARG 5.45 2.40 1 97 GLU 0.75 2.68 1 98 ALA 2.45 -0.07 1 99 LEU 3.28 0.22 1 100 ALA 4.03 1.76 1 101 ALA 3.95 1.39 1 102 PHE 3.95 4.29 1 103 ILE 4.52 1.57 1 104 GLU -0.09 0.05 1 106 LYS 0.06 0.05 1 107 LEU -2.44 -1.81 1 108 ARG -2.26 -1.22 1 110 ALA -0.27 -0.59 1 111 ASP -1.03 -0.35 1 112 THR -0.69 -1.55 1 113 ALA -0.21 -0.59 1 114 ASP -0.14 -0.05 1 115 ARG -0.38 -0.12 1 116 GLU -0.34 0.15 1 118 HIS -0.74 0.04 1 119 TRP 0.64 4.39 1 stop_ save_