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 bmr17300_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.15 _LACS_plot.Line_1_terminator_val_y_1 -3.43 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.77 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.96 _LACS_plot.Line_2_terminator_val_x_2 6.75 _LACS_plot.Line_2_terminator_val_y_2 5.05 _LACS_plot.Y_axis_chem_shift_offset 0.21 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 79 ILE -2.45 1.57 0 46 ILE 4.81 0.41 0 30 ASP -1.09 -3.12 0 10 GLN -1.94 -1.42 1 11 ILE -3.46 -2.70 1 12 THR -6.34 -3.08 1 13 ASP 4.37 4.05 1 14 ALA 2.11 1.75 1 15 THR -1.31 -0.97 1 16 PHE 4.84 5.07 1 17 GLU 5.55 4.15 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 1.03 0.91 1 25 ILE 1.24 -0.17 1 27 VAL -5.70 -2.79 1 28 LEU -5.68 -2.54 1 29 ILE -4.74 -2.70 1 31 PHE 2.07 0.67 1 32 TRP -6.62 -2.97 1 33 ALA -1.61 0.18 1 35 TRP -2.46 -3.33 1 40 ARG 4.98 3.41 1 41 ALA 2.61 1.49 1 42 MET 0.72 1.23 1 45 VAL 4.60 3.38 1 47 ASP 4.83 3.95 1 48 GLU 3.44 2.67 1 49 LEU 2.70 2.31 1 50 ALA 4.12 2.38 1 51 ALA 2.91 1.80 1 52 GLU 2.70 2.33 1 53 TYR 2.21 1.02 1 54 GLU 2.93 2.32 1 56 LYS -0.91 0.98 1 57 VAL -4.65 -1.45 1 58 LEU 0.41 -0.53 1 59 ILE 1.26 -0.33 1 60 VAL -8.15 -4.11 1 61 LYS -6.13 -1.94 1 62 MET -4.90 -0.26 1 63 ASN -0.03 -1.75 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 4.12 3.17 1 70 THR 3.94 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 -3.44 -1.42 1 78 ALA -3.09 -1.78 1 81 THR -4.59 -2.69 1 82 LEU -2.76 -0.39 1 83 ILE -5.12 -2.43 1 84 LEU -4.35 -0.84 1 85 PHE -2.58 0.42 1 86 LYS 2.87 1.18 1 87 ASN -5.29 -2.61 1 89 GLU 2.97 1.84 1 90 VAL -0.09 0.22 1 91 VAL -4.06 -1.12 1 92 GLU -3.22 -1.14 1 93 GLN -3.74 -1.45 1 94 VAL -1.63 -0.49 1 95 THR 0.83 -0.12 1 97 ALA -3.75 -2.16 1 98 VAL -2.91 -1.30 1 99 SER 5.11 4.63 1 100 LYS 4.88 3.30 1 101 SER 4.53 3.67 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 3.26 2.39 1 108 ALA 1.67 1.72 1 109 GLN -1.40 -0.73 1 110 LYS -0.81 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 bmr17300_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.15 _LACS_plot.Line_1_terminator_val_y_1 4.72 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.23 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.04 _LACS_plot.Line_2_terminator_val_x_2 6.75 _LACS_plot.Line_2_terminator_val_y_2 -1.70 _LACS_plot.Y_axis_chem_shift_offset 0.21 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 79 ILE -2.45 4.02 0 46 ILE 4.81 -4.40 0 30 ASP -1.09 -2.03 0 10 GLN -1.94 0.52 1 11 ILE -3.46 0.76 1 12 THR -6.34 3.26 1 13 ASP 4.37 -0.32 1 14 ALA 2.11 -0.36 1 15 THR -1.31 0.34 1 16 PHE 4.84 0.23 1 17 GLU 5.55 -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 1.03 -0.12 1 25 ILE 1.24 -1.41 1 27 VAL -5.70 2.91 1 28 LEU -5.68 3.14 1 29 ILE -4.74 2.04 1 31 PHE 2.07 -1.40 1 32 TRP -6.62 3.65 1 33 ALA -1.61 1.79 1 35 TRP -2.46 -0.87 1 40 ARG 4.98 -1.57 1 41 ALA 2.61 -1.12 1 42 MET 0.72 0.51 1 45 VAL 4.60 -1.22 1 47 ASP 4.83 -0.88 1 48 GLU 3.44 -0.77 1 49 LEU 2.70 -0.39 1 50 ALA 4.12 -1.74 1 51 ALA 2.91 -1.11 1 52 GLU 2.70 -0.37 1 53 TYR 2.21 -1.19 1 54 GLU 2.93 -0.61 1 56 LYS -0.91 1.89 1 57 VAL -4.65 3.20 1 58 LEU 0.41 -0.94 1 59 ILE 1.26 -1.59 1 60 VAL -8.15 4.04 1 61 LYS -6.13 4.19 1 62 MET -4.90 4.64 1 63 ASN -0.03 -1.72 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 4.12 -0.95 1 70 THR 3.94 -1.25 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 -3.44 2.02 1 78 ALA -3.09 1.31 1 81 THR -4.59 1.90 1 82 LEU -2.76 2.37 1 83 ILE -5.12 2.69 1 84 LEU -4.35 3.51 1 85 PHE -2.58 3.00 1 86 LYS 2.87 -1.69 1 87 ASN -5.29 2.68 1 89 GLU 2.97 -1.13 1 90 VAL -0.09 0.31 1 91 VAL -4.06 2.94 1 92 GLU -3.22 2.08 1 93 GLN -3.74 2.29 1 94 VAL -1.63 1.14 1 95 THR 0.83 -0.95 1 97 ALA -3.75 1.59 1 98 VAL -2.91 1.61 1 99 SER 5.11 -0.48 1 100 LYS 4.88 -1.58 1 101 SER 4.53 -0.86 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 3.26 -0.87 1 108 ALA 1.67 0.05 1 109 GLN -1.40 0.67 1 110 LYS -0.81 1.49 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 bmr17300_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -8.15 _LACS_plot.Line_1_terminator_val_y_1 0.88 _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 0.24 _LACS_plot.Line_2_terminator_val_x_2 6.75 _LACS_plot.Line_2_terminator_val_y_2 -0.68 _LACS_plot.Y_axis_chem_shift_offset -0.03 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 33 ALA -1.61 -1.22 0 10 GLN -1.94 0.75 1 11 ILE -3.46 0.35 1 12 THR -6.34 0.52 1 13 ASP 4.37 0.15 1 14 ALA 2.11 0.01 1 15 THR -1.31 0.29 1 16 PHE 4.84 -0.85 1 17 GLU 5.55 -0.95 1 18 ALA 2.50 -0.53 1 19 SER 2.17 -0.32 1 20 VAL 2.92 -0.30 1 21 LEU 6.08 -0.74 1 22 LYS 0.28 -0.04 1 23 SER 0.07 -0.38 1 24 ALA 1.03 0.08 1 25 ILE 1.24 0.47 1 27 VAL -5.70 1.16 1 28 LEU -5.68 0.99 1 29 ILE -4.74 0.21 1 30 ASP -1.09 0.40 1 31 PHE 2.07 0.71 1 32 TRP -6.62 0.52 1 35 TRP -2.46 -0.16 1 40 ARG 4.98 -0.28 1 41 ALA 2.61 -0.17 1 42 MET 0.72 -0.32 1 45 VAL 4.60 -0.45 1 46 ILE 4.81 -0.53 1 47 ASP 4.83 -0.31 1 48 GLU 3.44 -0.37 1 49 LEU 2.70 -0.19 1 50 ALA 4.12 -0.14 1 51 ALA 2.91 -0.25 1 52 GLU 2.70 -0.52 1 53 TYR 2.21 -0.16 1 54 GLU 2.93 -0.28 1 56 LYS -0.91 0.20 1 57 VAL -4.65 0.02 1 58 LEU 0.41 0.01 1 59 ILE 1.26 1.03 1 60 VAL -8.15 0.97 1 61 LYS -6.13 0.87 1 62 MET -4.90 -0.04 1 63 ASN -0.03 -0.83 1 64 VAL 3.51 -0.13 1 65 ASP 3.89 -0.25 1 66 ASP -1.81 0.03 1 67 ASN -2.26 0.16 1 69 ALA 4.12 -0.17 1 70 THR 3.94 -0.24 1 72 SER 3.96 -0.48 1 73 LYS 2.06 -0.27 1 74 TYR 3.30 -0.44 1 76 ILE -1.02 0.07 1 77 ARG -3.44 0.26 1 78 ALA -3.09 0.06 1 79 ILE -2.45 0.90 1 81 THR -4.59 1.54 1 82 LEU -2.76 0.60 1 83 ILE -5.12 1.07 1 84 LEU -4.35 0.67 1 85 PHE -2.58 0.15 1 86 LYS 2.87 -0.14 1 87 ASN -5.29 0.43 1 89 GLU 2.97 -0.97 1 90 VAL -0.09 0.13 1 91 VAL -4.06 0.24 1 92 GLU -3.22 0.90 1 93 GLN -3.74 0.39 1 94 VAL -1.63 0.63 1 95 THR 0.83 -0.08 1 97 ALA -3.75 0.25 1 98 VAL -2.91 -0.13 1 99 SER 5.11 -0.69 1 100 LYS 4.88 -0.54 1 101 SER 4.53 -0.23 1 102 SER 6.31 -0.69 1 103 ILE 6.75 -0.59 1 104 LYS 4.03 -0.25 1 105 ASP 4.04 -0.44 1 106 MET 4.68 -0.80 1 107 ILE 3.26 -0.34 1 108 ALA 1.67 -0.19 1 109 GLN -1.40 0.16 1 110 LYS -0.81 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 bmr17300_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -8.15 _LACS_plot.Line_1_terminator_val_y_1 -3.68 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.61 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.17 _LACS_plot.Line_2_terminator_val_x_2 6.75 _LACS_plot.Line_2_terminator_val_y_2 2.59 _LACS_plot.Y_axis_chem_shift_offset 0.28 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 12 THR -6.34 0.95 0 10 GLN -1.94 0.34 1 11 ILE -3.46 -1.94 1 13 ASP 4.37 2.09 1 14 ALA 2.11 1.64 1 15 THR -1.31 0.79 1 16 PHE 4.84 0.46 1 17 GLU 5.55 0.65 1 18 ALA 2.50 1.79 1 19 SER 2.17 -0.84 1 20 VAL 2.92 1.19 1 21 LEU 6.08 1.18 1 22 LYS 0.28 -0.56 1 23 SER 0.07 2.18 1 24 ALA 1.03 -0.17 1 27 VAL -5.70 -2.22 1 28 LEU -5.68 -3.80 1 29 ILE -4.74 -2.96 1 30 ASP -1.09 -2.00 1 31 PHE 2.07 -2.27 1 32 TRP -6.62 -4.27 1 35 TRP -2.46 -0.68 1 40 ARG 4.98 3.20 1 41 ALA 2.61 1.48 1 42 MET 0.72 0.86 1 45 VAL 4.60 1.40 1 46 ILE 4.81 1.32 1 47 ASP 4.83 2.08 1 48 GLU 3.44 3.63 1 49 LEU 2.70 0.69 1 50 ALA 4.12 2.54 1 51 ALA 2.91 2.36 1 52 GLU 2.70 1.87 1 53 TYR 2.21 -1.82 1 54 GLU 2.93 0.53 1 56 LYS -0.91 -0.95 1 57 VAL -4.65 -1.97 1 58 LEU 0.41 -3.77 1 59 ILE 1.26 -1.80 1 60 VAL -8.15 -2.33 1 61 LYS -6.13 -2.16 1 62 MET -4.90 -3.50 1 63 ASN -0.03 3.10 1 64 VAL 3.51 0.26 1 65 ASP 3.89 1.54 1 66 ASP -1.81 -1.06 1 69 ALA 4.12 2.80 1 72 SER 3.94 3.08 1 73 LYS 3.96 1.19 1 74 TYR 2.06 -1.12 1 76 ILE 3.30 -0.23 1 77 ARG -1.02 -1.45 1 78 ALA -3.44 -3.23 1 81 THR -2.45 -2.76 1 82 LEU -4.59 -1.27 1 83 ILE -2.76 -2.80 1 84 LEU -5.12 -3.45 1 85 PHE -4.35 0.37 1 86 LYS -2.58 -0.06 1 87 ASN 2.87 0.15 1 89 GLU -5.29 -1.61 1 90 VAL 2.97 0.92 1 91 VAL -0.09 -0.74 1 92 GLU -4.06 -4.00 1 93 GLN -3.22 -2.03 1 94 VAL -3.74 -2.29 1 95 THR -1.63 -0.64 1 97 ALA 0.83 -0.28 1 98 VAL -3.75 -1.72 1 99 SER -2.91 0.00 1 100 LYS 5.11 1.74 1 101 SER 4.88 2.03 1 102 SER 4.53 2.85 1 103 ILE 6.31 1.33 1 104 LYS 6.75 2.61 1 105 ASP 4.03 1.22 1 106 MET 4.04 2.18 1 107 ILE 4.68 1.32 1 108 ALA 3.26 1.54 1 109 GLN 1.67 2.02 1 110 LYS -1.40 0.03 1 111 ALA -0.81 -0.87 1 112 LEU -0.30 -1.15 1 stop_ save_