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 bmr17299_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.26 _LACS_plot.Line_1_terminator_val_y_1 -3.53 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.87 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -2.02 _LACS_plot.Line_2_terminator_val_x_2 6.75 _LACS_plot.Line_2_terminator_val_y_2 5.06 _LACS_plot.Y_axis_chem_shift_offset 0.19 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 46 ILE 4.81 0.41 0 30 ASP -1.48 -3.51 0 10 GLN -1.94 -1.42 1 11 ILE -3.83 -2.70 1 12 THR -6.20 -3.08 1 13 ASP 4.28 3.93 1 14 ALA 2.03 1.62 1 15 THR -1.20 -0.97 1 16 PHE 4.32 4.57 1 17 GLU 5.48 4.08 1 18 ALA 2.50 2.10 1 19 SER 2.17 2.33 1 20 VAL 2.92 0.97 1 21 LEU 6.08 2.71 1 22 LYS 0.28 -1.67 1 23 SER 0.07 -0.28 1 24 ALA 1.32 0.91 1 25 ILE 1.24 -0.17 1 27 VAL -5.70 -2.79 1 28 LEU -5.89 -2.54 1 29 ILE -4.45 -2.41 1 31 PHE 1.61 0.72 1 32 TRP -6.48 -2.96 1 33 ALA -1.61 0.18 1 35 TRP -3.02 -3.89 1 40 ARG 4.74 3.41 1 41 ALA 3.13 1.78 1 42 MET 0.43 0.94 1 45 VAL 4.60 3.38 1 47 ASP 4.70 3.82 1 48 GLU 2.95 2.18 1 49 LEU 2.70 2.31 1 50 ALA 3.65 1.85 1 51 ALA 2.91 1.80 1 52 GLU 2.70 2.33 1 53 TYR 2.21 1.02 1 54 GLU 2.80 2.06 1 56 LYS -0.91 0.98 1 57 VAL -4.65 -1.45 1 58 LEU 0.41 -0.53 1 59 ILE 1.54 -0.05 1 60 VAL -8.26 -4.22 1 61 LYS -6.13 -1.94 1 62 MET -4.54 -0.07 1 63 ASN -0.49 -2.26 1 64 VAL 3.51 1.48 1 65 ASP 3.89 2.18 1 66 ASP -1.81 -0.59 1 67 ASN -2.26 0.45 1 69 ALA 4.06 2.78 1 70 THR 4.15 2.69 1 72 SER 3.96 2.65 1 73 LYS 2.06 1.03 1 74 TYR 3.30 0.25 1 76 ILE -1.02 -0.53 1 77 ARG -3.34 -1.32 1 78 ALA -2.11 -0.77 1 79 ILE -2.73 1.29 1 81 THR -4.30 -2.40 1 82 LEU -2.76 -0.39 1 83 ILE -5.31 -2.62 1 84 LEU -4.29 -0.78 1 85 PHE -2.58 0.42 1 86 LYS 3.16 1.18 1 87 ASN -5.05 -2.57 1 89 GLU 2.68 1.80 1 90 VAL -0.00 0.10 1 91 VAL -3.84 -1.12 1 92 GLU -2.83 -1.14 1 93 GLN -3.86 -1.61 1 94 VAL -1.31 -0.29 1 95 THR 0.88 -0.04 1 97 ALA -3.98 -2.16 1 98 VAL -2.91 -1.30 1 99 SER 5.11 4.63 1 100 LYS 4.32 3.54 1 101 SER 4.21 3.02 1 102 SER 6.31 4.76 1 103 ILE 6.75 4.76 1 104 LYS 4.03 3.15 1 105 ASP 4.04 3.48 1 106 MET 4.68 3.69 1 107 ILE 3.03 1.98 1 108 ALA 1.67 1.72 1 109 GLN -1.40 -0.73 1 110 LYS -0.34 0.68 1 111 ALA -0.30 -0.73 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17299_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.26 _LACS_plot.Line_1_terminator_val_y_1 4.73 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.13 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.02 _LACS_plot.Line_2_terminator_val_x_2 6.75 _LACS_plot.Line_2_terminator_val_y_2 -1.69 _LACS_plot.Y_axis_chem_shift_offset 0.19 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 46 ILE 4.81 -4.40 0 30 ASP -1.48 -2.03 0 10 GLN -1.94 0.52 1 11 ILE -3.83 1.13 1 12 THR -6.20 3.12 1 13 ASP 4.28 -0.35 1 14 ALA 2.03 -0.41 1 15 THR -1.20 0.23 1 16 PHE 4.32 0.25 1 17 GLU 5.48 -1.40 1 18 ALA 2.50 -0.40 1 19 SER 2.17 0.16 1 20 VAL 2.92 -1.95 1 21 LEU 6.08 -3.37 1 22 LYS 0.28 -1.95 1 23 SER 0.07 -0.35 1 24 ALA 1.32 -0.41 1 25 ILE 1.24 -1.41 1 27 VAL -5.70 2.91 1 28 LEU -5.89 3.35 1 29 ILE -4.45 2.04 1 31 PHE 1.61 -0.89 1 32 TRP -6.48 3.52 1 33 ALA -1.61 1.79 1 35 TRP -3.02 -0.87 1 40 ARG 4.74 -1.33 1 41 ALA 3.13 -1.35 1 42 MET 0.43 0.51 1 45 VAL 4.60 -1.22 1 47 ASP 4.70 -0.88 1 48 GLU 2.95 -0.77 1 49 LEU 2.70 -0.39 1 50 ALA 3.65 -1.80 1 51 ALA 2.91 -1.11 1 52 GLU 2.70 -0.37 1 53 TYR 2.21 -1.19 1 54 GLU 2.80 -0.74 1 56 LYS -0.91 1.89 1 57 VAL -4.65 3.20 1 58 LEU 0.41 -0.94 1 59 ILE 1.54 -1.59 1 60 VAL -8.26 4.04 1 61 LYS -6.13 4.19 1 62 MET -4.54 4.47 1 63 ASN -0.49 -1.77 1 64 VAL 3.51 -2.03 1 65 ASP 3.89 -1.71 1 66 ASP -1.81 1.22 1 67 ASN -2.26 2.71 1 69 ALA 4.06 -1.28 1 70 THR 4.15 -1.46 1 72 SER 3.96 -1.31 1 73 LYS 2.06 -1.03 1 74 TYR 3.30 -3.05 1 76 ILE -1.02 0.49 1 77 ARG -3.34 2.02 1 78 ALA -2.11 1.34 1 79 ILE -2.73 4.02 1 81 THR -4.30 1.90 1 82 LEU -2.76 2.37 1 83 ILE -5.31 2.69 1 84 LEU -4.29 3.51 1 85 PHE -2.58 3.00 1 86 LYS 3.16 -1.98 1 87 ASN -5.05 2.48 1 89 GLU 2.68 -0.88 1 90 VAL -0.00 0.10 1 91 VAL -3.84 2.72 1 92 GLU -2.83 1.69 1 93 GLN -3.86 2.25 1 94 VAL -1.31 1.02 1 95 THR 0.88 -0.92 1 97 ALA -3.98 1.82 1 98 VAL -2.91 1.61 1 99 SER 5.11 -0.48 1 100 LYS 4.32 -0.78 1 101 SER 4.21 -1.19 1 102 SER 6.31 -1.55 1 103 ILE 6.75 -1.99 1 104 LYS 4.03 -0.88 1 105 ASP 4.04 -0.56 1 106 MET 4.68 -0.99 1 107 ILE 3.03 -1.05 1 108 ALA 1.67 0.05 1 109 GLN -1.40 0.67 1 110 LYS -0.34 1.02 1 111 ALA -0.30 -0.43 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17299_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -8.26 _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 -0.18 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.26 _LACS_plot.Line_2_terminator_val_x_2 6.75 _LACS_plot.Line_2_terminator_val_y_2 -0.70 _LACS_plot.Y_axis_chem_shift_offset -0.04 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 33 ALA -1.61 -1.34 0 10 GLN -1.94 0.75 1 11 ILE -3.83 0.39 1 12 THR -6.20 0.45 1 13 ASP 4.28 -0.32 1 14 ALA 2.03 -0.01 1 15 THR -1.20 0.29 1 16 PHE 4.32 -0.86 1 17 GLU 5.48 -0.95 1 18 ALA 2.50 -0.53 1 19 SER 2.17 -0.31 1 20 VAL 2.92 -0.29 1 21 LEU 6.08 -0.74 1 22 LYS 0.28 -0.05 1 23 SER 0.07 -0.39 1 24 ALA 1.32 0.07 1 25 ILE 1.24 0.42 1 27 VAL -5.70 1.18 1 28 LEU -5.89 1.00 1 29 ILE -4.45 0.54 1 30 ASP -1.48 0.40 1 31 PHE 1.61 0.70 1 32 TRP -6.48 0.38 1 35 TRP -3.02 -0.13 1 40 ARG 4.74 -0.28 1 41 ALA 3.13 -0.17 1 42 MET 0.43 -0.23 1 45 VAL 4.60 -0.44 1 46 ILE 4.81 -0.52 1 47 ASP 4.70 -0.35 1 48 GLU 2.95 -0.38 1 49 LEU 2.70 -0.20 1 50 ALA 3.65 -0.15 1 51 ALA 2.91 -0.25 1 52 GLU 2.70 -0.52 1 53 TYR 2.21 -0.16 1 54 GLU 2.80 -0.24 1 56 LYS -0.91 0.20 1 57 VAL -4.65 0.01 1 58 LEU 0.41 0.01 1 59 ILE 1.54 1.02 1 60 VAL -8.26 0.97 1 61 LYS -6.13 0.87 1 62 MET -4.54 0.22 1 63 ASN -0.49 -0.91 1 64 VAL 3.51 -0.11 1 65 ASP 3.89 -0.24 1 66 ASP -1.81 0.02 1 67 ASN -2.26 0.14 1 69 ALA 4.06 -0.18 1 70 THR 4.15 -0.26 1 72 SER 3.96 -0.50 1 73 LYS 2.06 -0.25 1 74 TYR 3.30 -0.44 1 76 ILE -1.02 0.03 1 77 ARG -3.34 0.28 1 78 ALA -2.11 0.10 1 79 ILE -2.73 0.98 1 81 THR -4.30 1.57 1 82 LEU -2.76 0.57 1 83 ILE -5.31 1.08 1 84 LEU -4.29 0.65 1 85 PHE -2.58 0.13 1 86 LYS 3.16 -0.14 1 87 ASN -5.05 0.48 1 89 GLU 2.68 -0.97 1 90 VAL -0.00 0.14 1 91 VAL -3.84 0.22 1 92 GLU -2.83 0.87 1 93 GLN -3.86 0.38 1 94 VAL -1.31 0.67 1 95 THR 0.88 -0.06 1 97 ALA -3.98 0.30 1 98 VAL -2.91 -0.12 1 99 SER 5.11 -0.69 1 100 LYS 4.32 -0.48 1 101 SER 4.21 -0.25 1 102 SER 6.31 -0.68 1 103 ILE 6.75 -0.58 1 104 LYS 4.03 -0.25 1 105 ASP 4.04 -0.45 1 106 MET 4.68 -0.80 1 107 ILE 3.03 -0.34 1 108 ALA 1.67 -0.20 1 109 GLN -1.40 0.15 1 110 LYS -0.34 0.16 1 111 ALA -0.30 0.10 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17299_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -8.26 _LACS_plot.Line_1_terminator_val_y_1 -3.65 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.65 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.11 _LACS_plot.Line_2_terminator_val_x_2 6.75 _LACS_plot.Line_2_terminator_val_y_2 2.51 _LACS_plot.Y_axis_chem_shift_offset 0.23 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 110 LYS -1.40 2.59 0 60 VAL -8.26 -2.28 0 63 ASN -0.49 3.01 0 58 LEU 0.41 -3.79 0 12 THR -6.20 0.27 0 10 GLN -1.94 0.52 1 11 ILE -3.83 -2.01 1 13 ASP 4.28 2.20 1 14 ALA 2.03 1.68 1 15 THR -1.20 0.77 1 16 PHE 4.32 0.54 1 17 GLU 5.48 0.61 1 18 ALA 2.50 1.83 1 19 SER 2.17 -0.84 1 20 VAL 2.92 1.23 1 21 LEU 6.08 1.24 1 22 LYS 0.28 -0.52 1 23 SER 0.07 2.21 1 24 ALA 1.32 -0.20 1 27 VAL -5.70 -2.28 1 28 LEU -5.89 -3.66 1 29 ILE -4.45 -2.80 1 30 ASP -1.48 -1.96 1 31 PHE 1.61 -1.94 1 32 TRP -6.48 -4.72 1 35 TRP -3.02 -0.63 1 40 ARG 4.74 3.57 1 41 ALA 3.13 1.44 1 42 MET 0.43 0.70 1 45 VAL 4.60 1.41 1 46 ILE 4.81 1.31 1 47 ASP 4.70 2.10 1 48 GLU 2.95 3.59 1 49 LEU 2.70 0.69 1 50 ALA 3.65 2.54 1 51 ALA 2.91 2.26 1 52 GLU 2.70 1.93 1 53 TYR 2.21 -1.80 1 54 GLU 2.80 0.53 1 56 LYS -0.91 -0.95 1 57 VAL -4.65 -1.91 1 59 ILE 1.54 -1.80 1 61 LYS -6.13 -1.97 1 62 MET -4.54 -3.49 1 64 VAL 3.51 0.36 1 65 ASP 3.89 1.51 1 66 ASP -1.81 -1.12 1 69 ALA 4.06 2.83 1 72 SER 4.15 3.06 1 73 LYS 3.96 1.19 1 74 TYR 2.06 -1.09 1 76 ILE 3.30 -0.27 1 77 ARG -1.02 -1.46 1 78 ALA -3.34 -2.96 1 81 THR -2.73 -2.76 1 82 LEU -4.30 -1.18 1 83 ILE -2.76 -2.88 1 84 LEU -5.31 -3.42 1 85 PHE -4.29 0.36 1 86 LYS -2.58 -0.10 1 87 ASN 3.16 0.19 1 89 GLU -5.05 -1.60 1 90 VAL 2.68 0.99 1 91 VAL -0.00 -0.75 1 92 GLU -3.84 -4.06 1 93 GLN -2.83 -1.95 1 94 VAL -3.86 -2.25 1 95 THR -1.31 -0.60 1 97 ALA 0.88 -0.20 1 98 VAL -3.98 -1.73 1 99 SER -2.91 -0.03 1 100 LYS 5.11 1.74 1 101 SER 4.32 2.00 1 102 SER 4.21 2.87 1 103 ILE 6.31 1.34 1 104 LYS 6.75 0.03 1 105 ASP 4.03 1.28 1 106 MET 4.04 2.20 1 107 ILE 4.68 1.31 1 108 ALA 3.03 1.52 1 109 GLN 1.67 2.03 1 111 ALA -0.34 -0.91 1 112 LEU -0.30 -1.10 1 stop_ save_