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 bmr25627_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.17 _LACS_plot.Line_1_terminator_val_y_1 -2.26 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.01 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.89 _LACS_plot.Line_2_terminator_val_x_2 8.37 _LACS_plot.Line_2_terminator_val_y_2 6.13 _LACS_plot.Y_axis_chem_shift_offset -0.34 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 31 PHE 8.37 6.73 0 73 TYR -5.61 -0.99 0 47 GLN 4.34 0.85 0 59 TYR -4.11 -4.17 0 46 LYS -0.36 -2.30 0 10 VAL 0.44 0.12 1 11 LYS -1.78 -0.89 1 13 LYS 0.16 1.02 1 14 SER -1.58 -0.69 1 15 ILE -2.61 -0.31 1 16 SER -3.42 -1.80 1 17 ARG -2.54 -1.69 1 18 ALA -0.95 0.04 1 19 LYS -1.08 0.43 1 20 LYS -4.01 -1.51 1 21 TRP 5.06 4.38 1 22 SER -3.91 -1.47 1 23 GLU 5.26 3.98 1 24 GLU 2.84 2.65 1 25 ILE 3.59 0.88 1 26 GLU 4.17 2.42 1 27 ASN 3.35 3.26 1 28 LEU 4.57 4.40 1 29 TYR 4.91 3.64 1 30 ARG 6.58 4.27 1 32 GLN 5.90 3.26 1 33 GLN 2.72 2.53 1 34 ALA -0.39 -0.29 1 36 TYR -5.30 -1.69 1 37 ARG 3.49 4.57 1 38 ASP -0.65 -1.93 1 39 GLU 1.79 2.00 1 40 ILE 5.66 3.36 1 41 GLU 2.82 2.82 1 42 TYR 3.69 4.87 1 43 LYS 5.33 4.45 1 44 GLN 3.87 3.05 1 45 VAL 3.77 3.51 1 48 VAL -4.79 -2.96 1 49 ALA -0.39 0.32 1 50 MET -3.06 -1.17 1 51 VAL -2.09 -1.16 1 52 ASP 0.24 1.27 1 53 ARG -4.96 -1.39 1 54 TRP -0.32 -0.11 1 56 GLU 4.45 4.16 1 57 THR -2.33 -1.37 1 60 VAL 2.70 2.57 1 61 LYS -0.37 1.78 1 62 LYS -4.07 -1.35 1 63 LEU -6.17 -1.63 1 64 GLN -1.72 -0.78 1 65 ARG 0.57 1.57 1 66 ARG 5.30 3.86 1 67 ASP 0.33 -1.01 1 68 ASN 5.20 2.33 1 69 THR -0.61 0.54 1 70 PHE -1.88 0.78 1 71 PHE -4.54 -1.80 1 72 TYR -1.90 -0.51 1 74 ASN -0.22 0.26 1 75 LYS 3.24 2.22 1 76 GLU -2.32 -1.79 1 77 ARG 1.44 1.67 1 78 GLU -3.10 0.46 1 80 GLU -0.55 0.22 1 81 ASP 5.56 4.41 1 82 LYS 3.54 2.28 1 83 GLU -2.09 -1.00 1 84 VAL 5.41 4.68 1 85 HIS 2.57 2.75 1 86 LYS 0.41 0.39 1 87 VAL 2.96 1.61 1 88 LYS -1.39 -0.38 1 89 VAL -0.15 -0.56 1 90 TYR -1.61 0.64 1 91 VAL -1.18 -0.30 1 92 TYR 1.43 2.95 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25627_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.17 _LACS_plot.Line_1_terminator_val_y_1 3.91 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.99 _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 8.37 _LACS_plot.Line_2_terminator_val_y_2 -2.24 _LACS_plot.Y_axis_chem_shift_offset -0.34 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 31 PHE 8.37 -1.64 0 73 TYR -5.61 4.62 0 47 GLN 4.34 -3.49 0 59 TYR -4.11 -0.06 0 46 LYS -0.36 -1.94 0 10 VAL 0.44 -0.32 1 11 LYS -1.78 0.89 1 13 LYS 0.16 0.86 1 14 SER -1.58 0.89 1 15 ILE -2.61 2.30 1 16 SER -3.42 1.62 1 17 ARG -2.54 0.85 1 18 ALA -0.95 0.99 1 19 LYS -1.08 1.51 1 20 LYS -4.01 2.50 1 21 TRP 5.06 -0.68 1 22 SER -3.91 2.44 1 23 GLU 5.26 -1.28 1 24 GLU 2.84 -0.19 1 25 ILE 3.59 -2.71 1 26 GLU 4.17 -1.75 1 27 ASN 3.35 -0.09 1 28 LEU 4.57 -0.17 1 29 TYR 4.91 -1.27 1 30 ARG 6.58 -2.31 1 32 GLN 5.90 -2.64 1 33 GLN 2.72 -0.19 1 34 ALA -0.39 0.10 1 36 TYR -5.30 3.61 1 37 ARG 3.49 1.08 1 38 ASP -0.65 -1.28 1 39 GLU 1.79 0.21 1 40 ILE 5.66 -2.30 1 41 GLU 2.82 0.00 1 42 TYR 3.69 1.18 1 43 LYS 5.33 -0.88 1 44 GLN 3.87 -0.82 1 45 VAL 3.77 -0.26 1 48 VAL -4.79 1.83 1 49 ALA -0.39 0.71 1 50 MET -3.06 1.89 1 51 VAL -2.09 0.93 1 52 ASP 0.24 1.03 1 53 ARG -4.96 3.57 1 54 TRP -0.32 0.21 1 56 GLU 4.45 -0.29 1 57 THR -2.33 0.96 1 60 VAL 2.70 -0.13 1 61 LYS -0.37 2.15 1 62 LYS -4.07 2.72 1 63 LEU -6.17 4.54 1 64 GLN -1.72 0.94 1 65 ARG 0.57 1.00 1 66 ARG 5.30 -1.44 1 67 ASP 0.33 -1.34 1 68 ASN 5.20 -2.87 1 69 THR -0.61 1.15 1 70 PHE -1.88 2.66 1 71 PHE -4.54 2.74 1 72 TYR -1.90 1.39 1 74 ASN -0.22 0.48 1 75 LYS 3.24 -1.02 1 76 GLU -2.32 0.53 1 77 ARG 1.44 0.23 1 78 GLU -3.10 3.56 1 80 GLU -0.55 0.77 1 81 ASP 5.56 -1.15 1 82 LYS 3.54 -1.26 1 83 GLU -2.09 1.09 1 84 VAL 5.41 -0.73 1 85 HIS 2.57 0.18 1 86 LYS 0.41 -0.02 1 87 VAL 2.96 -1.35 1 88 LYS -1.39 1.01 1 89 VAL -0.15 -0.41 1 90 TYR -1.61 2.25 1 91 VAL -1.18 0.88 1 92 TYR 1.43 1.52 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25627_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.17 _LACS_plot.Line_1_terminator_val_y_1 0.49 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.24 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.13 _LACS_plot.Line_2_terminator_val_x_2 8.37 _LACS_plot.Line_2_terminator_val_y_2 -0.83 _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 75 LYS 3.24 -2.08 0 10 VAL 0.44 -0.02 1 13 LYS 0.16 -0.03 1 14 SER -1.58 0.09 1 15 ILE -2.61 0.36 1 16 SER -3.42 0.29 1 17 ARG -2.54 0.54 1 18 ALA -0.95 -0.21 1 19 LYS -1.08 0.05 1 20 LYS -4.01 0.26 1 21 TRP 5.06 -0.87 1 22 SER -3.91 -0.64 1 23 GLU 5.26 -0.70 1 24 GLU 2.84 -0.13 1 25 ILE 3.59 -0.39 1 26 GLU 4.17 -0.35 1 27 ASN 3.35 0.00 1 28 LEU 4.57 0.06 1 29 TYR 4.91 -0.47 1 30 ARG 6.58 -0.98 1 31 PHE 8.37 -0.75 1 32 GLN 5.90 0.38 1 33 GLN 2.72 -0.38 1 34 ALA -0.39 -0.19 1 36 TYR -5.30 0.39 1 37 ARG 3.49 -0.39 1 38 ASP -0.65 -0.82 1 39 GLU 1.79 -1.45 1 40 ILE 5.66 -0.75 1 41 GLU 2.82 -0.34 1 42 TYR 3.69 -1.07 1 43 LYS 5.33 -0.67 1 44 GLN 3.87 -0.33 1 45 VAL 3.77 -0.36 1 46 LYS -0.36 -0.07 1 47 GLN 4.34 -0.37 1 48 VAL -4.79 0.44 1 49 ALA -0.39 0.04 1 50 MET -3.06 0.24 1 51 VAL -2.09 0.16 1 52 ASP 0.24 -0.17 1 53 ARG -4.96 0.42 1 54 TRP -0.32 -0.33 1 56 GLU 4.45 -0.38 1 57 THR -2.33 -0.22 1 59 TYR -4.11 1.16 1 60 VAL 2.70 -0.51 1 61 LYS -0.37 0.13 1 62 LYS -4.07 1.05 1 63 LEU -6.17 0.31 1 64 GLN -1.72 0.10 1 65 ARG 0.57 0.20 1 66 ARG 5.30 -0.47 1 67 ASP 0.33 -0.21 1 68 ASN 5.20 -0.65 1 69 THR -0.61 0.06 1 70 PHE -1.88 0.52 1 71 PHE -4.54 0.04 1 72 TYR -1.90 0.32 1 73 TYR -5.61 0.48 1 74 ASN -0.22 0.05 1 76 GLU -2.32 0.03 1 77 ARG 1.44 -0.99 1 78 GLU -3.10 0.14 1 80 GLU -0.55 -0.35 1 81 ASP 5.56 -0.30 1 82 LYS 3.54 -0.02 1 83 GLU -2.09 0.10 1 84 VAL 5.41 -0.88 1 85 HIS 2.57 -0.08 1 86 LYS 0.41 -0.31 1 87 VAL 2.96 -0.24 1 88 LYS -1.39 0.13 1 89 VAL -0.15 -0.09 1 90 TYR -1.61 0.18 1 91 VAL -1.18 0.08 1 92 TYR 1.43 -0.29 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25627_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.17 _LACS_plot.Line_1_terminator_val_y_1 -2.00 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.29 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.81 _LACS_plot.Line_2_terminator_val_x_2 8.37 _LACS_plot.Line_2_terminator_val_y_2 2.22 _LACS_plot.Y_axis_chem_shift_offset 0.24 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 32 GLN 5.90 6.26 0 10 VAL 0.44 -1.09 1 13 LYS 0.16 0.56 1 14 SER -1.58 -2.90 1 15 ILE -2.61 -0.94 1 16 SER -3.42 -1.83 1 17 ARG -2.54 0.42 1 18 ALA -0.95 -1.28 1 19 LYS -1.08 -0.22 1 20 LYS -4.01 -2.02 1 21 TRP 5.06 -1.32 1 22 SER -3.91 -2.50 1 23 GLU 5.26 1.08 1 24 GLU 2.84 2.85 1 25 ILE 3.59 0.30 1 26 GLU 4.17 1.82 1 27 ASN 3.35 2.36 1 28 LEU 4.57 0.89 1 29 TYR 4.91 1.26 1 30 ARG 6.58 3.41 1 31 PHE 8.37 2.74 1 33 GLN 2.72 1.05 1 34 ALA -0.39 -2.43 1 36 TYR -5.30 -1.48 1 37 ARG 3.49 -0.68 1 38 ASP -0.65 -1.55 1 39 GLU 1.79 0.44 1 40 ILE 5.66 2.74 1 41 GLU 2.82 1.82 1 42 TYR 3.69 0.87 1 43 LYS 5.33 2.94 1 44 GLN 3.87 2.26 1 45 VAL 3.77 1.79 1 46 LYS -0.36 -0.50 1 47 GLN 4.34 -0.88 1 48 VAL -4.79 -0.87 1 49 ALA -0.39 -0.26 1 50 MET -3.06 -2.60 1 51 VAL -2.09 -1.31 1 52 ASP 0.24 -0.48 1 53 ARG -4.96 0.06 1 56 GLU 4.45 1.43 1 57 THR -2.33 1.03 1 59 TYR -4.11 1.66 1 60 VAL 2.70 -1.74 1 61 LYS -0.37 -1.34 1 62 LYS -4.07 -2.57 1 63 LEU -6.17 -3.15 1 64 GLN -1.72 0.64 1 65 ARG 0.57 2.01 1 66 ARG 5.30 0.21 1 67 ASP 0.33 -0.14 1 68 ASN 5.20 0.23 1 69 THR -0.61 -1.05 1 70 PHE -1.88 -1.04 1 71 PHE -4.54 -2.25 1 72 TYR -1.90 -1.06 1 73 TYR -5.61 1.28 1 74 ASN -0.22 0.23 1 75 LYS 3.24 -1.10 1 76 GLU -2.32 -1.58 1 77 ARG 1.44 -0.44 1 78 GLU -3.10 -0.19 1 80 GLU -0.55 0.52 1 81 ASP 5.56 3.24 1 82 LYS 3.54 -0.45 1 83 GLU -2.09 1.07 1 84 VAL 5.41 0.43 1 85 HIS 2.57 1.23 1 86 LYS 0.41 0.83 1 87 VAL 2.96 -1.06 1 88 LYS -1.39 -2.20 1 89 VAL -0.15 -0.82 1 90 TYR -1.61 -0.69 1 91 VAL -1.18 -1.98 1 stop_ save_