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 bmr36143_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.42 _LACS_plot.Line_1_terminator_val_y_1 -2.61 _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 -1.44 _LACS_plot.Line_2_terminator_val_x_2 5.68 _LACS_plot.Line_2_terminator_val_y_2 4.39 _LACS_plot.Y_axis_chem_shift_offset -0.13 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 76 TYR -7.42 -1.15 0 10 ARG 3.73 3.12 1 11 SER 2.04 1.83 1 12 ARG 1.04 0.65 1 14 ARG 0.88 0.51 1 15 ALA 0.37 0.49 1 16 GLN -0.00 0.13 1 17 VAL 2.06 1.25 1 18 GLN -0.99 -0.05 1 19 GLU -2.06 -0.72 1 20 PHE -1.85 -0.27 1 22 ASP 3.00 3.26 1 23 TYR 2.20 1.42 1 25 THR -4.70 -2.56 1 26 LYS 4.82 3.91 1 27 GLU 4.54 4.01 1 28 GLU 2.95 2.54 1 30 MET 3.91 4.38 1 31 LYS 3.12 2.66 1 32 ALA 2.42 1.50 1 33 SER -0.35 0.04 1 34 ASP 1.60 0.92 1 35 ALA -4.78 -1.23 1 36 ASP 0.00 -0.43 1 37 ARG -1.85 -0.84 1 40 ARG 1.44 0.40 1 41 LYS -0.77 0.12 1 42 LEU 0.36 0.70 1 43 HIS -3.01 0.41 1 44 PHE -5.66 -2.06 1 45 ARG -4.62 -1.38 1 46 ARG -1.15 0.20 1 47 ILE -1.09 -1.06 1 48 ILE -1.20 -1.96 1 49 ASN -4.62 -1.33 1 50 LYS 1.17 0.09 1 51 HIS -0.94 0.52 1 52 THR 3.08 2.01 1 53 ASP -2.55 -2.55 1 54 GLU 2.57 2.87 1 55 SER 3.57 2.76 1 56 LEU 0.82 0.35 1 58 ASP -0.22 0.62 1 60 SER 4.48 3.33 1 61 PHE 2.27 1.03 1 62 LEU 5.69 4.59 1 63 ASN 0.36 1.16 1 64 THR -0.79 -1.52 1 66 PHE 0.75 0.02 1 67 HIS -2.08 -1.38 1 68 MET 5.02 4.91 1 69 ASP 2.84 1.58 1 70 THR -1.12 -0.13 1 72 LYS 1.20 2.09 1 73 TYR 1.14 0.81 1 74 VAL 4.60 3.55 1 75 HIS -1.78 1.45 1 77 GLU -6.34 -2.20 1 78 ILE 2.08 1.52 1 79 ASP -2.03 -1.26 1 80 ALA -1.65 -0.49 1 82 MET -0.05 0.00 1 83 ASP 0.32 0.43 1 84 SER 0.26 0.36 1 85 GLU -0.86 -0.45 1 86 ALA -0.03 0.16 1 89 SER 0.26 0.39 1 90 LYS 0.33 0.07 1 91 ASP 0.19 0.24 1 92 HIS -0.80 0.75 1 93 THR 0.52 0.40 1 95 SER 0.53 0.37 1 96 GLN 0.37 0.46 1 97 GLU 0.07 0.19 1 98 LEU 0.16 0.10 1 99 ALA -0.18 -0.14 1 100 LEU 0.14 0.08 1 101 THR -0.38 -0.13 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr36143_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.42 _LACS_plot.Line_1_terminator_val_y_1 4.81 _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 0.56 _LACS_plot.Line_2_terminator_val_x_2 5.68 _LACS_plot.Line_2_terminator_val_y_2 -1.29 _LACS_plot.Y_axis_chem_shift_offset -0.13 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 76 TYR -7.42 6.27 0 10 ARG 3.73 -0.61 1 11 SER 2.04 -0.21 1 12 ARG 1.04 -0.39 1 14 ARG 0.88 -0.37 1 15 ALA 0.37 0.12 1 16 GLN -0.00 0.13 1 17 VAL 2.06 -0.81 1 18 GLN -0.99 0.94 1 19 GLU -2.06 1.34 1 20 PHE -1.85 1.58 1 22 ASP 3.00 0.26 1 23 TYR 2.20 -0.78 1 25 THR -4.70 2.14 1 26 LYS 4.82 -0.91 1 27 GLU 4.54 -0.53 1 28 GLU 2.95 -0.41 1 30 MET 3.91 0.47 1 31 LYS 3.12 -0.46 1 32 ALA 2.42 -0.92 1 33 SER -0.35 0.39 1 34 ASP 1.60 -0.68 1 35 ALA -4.78 3.55 1 36 ASP 0.00 -0.43 1 37 ARG -1.85 1.01 1 40 ARG 1.44 -1.04 1 41 LYS -0.77 0.89 1 42 LEU 0.36 0.34 1 43 HIS -3.01 3.42 1 44 PHE -5.66 3.60 1 45 ARG -4.62 3.24 1 46 ARG -1.15 1.35 1 47 ILE -1.09 0.03 1 48 ILE -1.20 -0.76 1 49 ASN -4.62 3.29 1 50 LYS 1.17 -1.08 1 51 HIS -0.94 1.46 1 52 THR 3.08 -1.07 1 53 ASP -2.55 0.00 1 54 GLU 2.57 0.30 1 55 SER 3.57 -0.81 1 56 LEU 0.82 -0.47 1 58 ASP -0.22 0.84 1 60 SER 4.48 -1.15 1 61 PHE 2.27 -1.24 1 62 LEU 5.69 -1.10 1 63 ASN 0.36 0.80 1 64 THR -0.79 -0.73 1 66 PHE 0.75 -0.73 1 67 HIS -2.08 0.70 1 68 MET 5.02 -0.11 1 69 ASP 2.84 -1.26 1 70 THR -1.12 0.99 1 72 LYS 1.20 0.89 1 73 TYR 1.14 -0.33 1 74 VAL 4.60 -1.05 1 75 HIS -1.78 3.23 1 77 GLU -6.34 4.14 1 78 ILE 2.08 -0.56 1 79 ASP -2.03 0.77 1 80 ALA -1.65 1.16 1 82 MET -0.05 0.05 1 83 ASP 0.32 0.11 1 84 SER 0.26 0.10 1 85 GLU -0.86 0.41 1 86 ALA -0.03 0.19 1 89 SER 0.26 0.13 1 90 LYS 0.33 -0.26 1 91 ASP 0.19 0.05 1 92 HIS -0.80 1.55 1 93 THR 0.52 -0.12 1 95 SER 0.53 -0.16 1 96 GLN 0.37 0.09 1 97 GLU 0.07 0.12 1 98 LEU 0.16 -0.06 1 99 ALA -0.18 0.04 1 100 LEU 0.14 -0.06 1 101 THR -0.38 0.25 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr36143_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.42 _LACS_plot.Line_1_terminator_val_y_1 0.72 _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 0.13 _LACS_plot.Line_2_terminator_val_x_2 5.68 _LACS_plot.Line_2_terminator_val_y_2 -0.62 _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 26 LYS 4.82 0.49 0 10 ARG 3.73 -0.24 1 11 SER 2.04 -0.50 1 12 ARG 1.04 -0.01 1 14 ARG 0.88 0.13 1 15 ALA 0.37 -0.01 1 16 GLN -0.00 0.02 1 17 VAL 2.06 -0.13 1 18 GLN -0.99 -0.03 1 19 GLU -2.06 -0.05 1 20 PHE -1.85 -0.21 1 22 ASP 3.00 -0.42 1 23 TYR 2.20 -0.15 1 25 THR -4.70 0.53 1 27 GLU 4.54 -0.46 1 28 GLU 2.95 -0.40 1 30 MET 3.91 -0.64 1 31 LYS 3.12 -0.32 1 32 ALA 2.42 -0.35 1 33 SER -0.35 -0.09 1 34 ASP 1.60 -0.30 1 35 ALA -4.78 0.28 1 36 ASP 0.00 -0.16 1 37 ARG -1.85 0.14 1 40 ARG 1.44 0.09 1 41 LYS -0.77 -0.12 1 42 LEU 0.36 -0.20 1 43 HIS -3.01 0.25 1 44 PHE -5.66 1.01 1 45 ARG -4.62 0.67 1 46 ARG -1.15 -0.18 1 47 ILE -1.09 -0.02 1 48 ILE -1.20 -0.03 1 49 ASN -4.62 0.42 1 51 HIS -0.94 -0.04 1 52 THR 3.08 -0.61 1 53 ASP -2.55 0.20 1 54 GLU 2.57 -0.72 1 55 SER 3.57 -0.32 1 56 LEU 0.82 -0.34 1 58 ASP -0.22 0.01 1 60 SER 4.48 -0.31 1 61 PHE 2.27 -0.27 1 62 LEU 5.69 -0.44 1 63 ASN 0.36 0.78 1 64 THR -0.79 0.23 1 66 PHE 0.75 -0.14 1 67 HIS -2.08 0.32 1 68 MET 5.02 -0.73 1 69 ASP 2.84 -0.33 1 70 THR -1.12 -0.27 1 72 LYS 1.20 -0.07 1 73 TYR 1.14 -0.34 1 74 VAL 4.60 -0.65 1 75 HIS -1.78 0.35 1 76 TYR -7.42 0.93 1 77 GLU -6.34 0.64 1 78 ILE 2.08 -0.05 1 79 ASP -2.03 0.10 1 80 ALA -1.65 0.07 1 82 MET -0.05 0.03 1 83 ASP 0.32 -0.08 1 84 SER 0.26 -0.13 1 85 GLU -0.86 -0.08 1 86 ALA -0.03 -0.08 1 89 SER 0.26 -0.10 1 90 LYS 0.33 -0.01 1 91 ASP 0.19 -0.14 1 92 HIS -0.80 -0.07 1 93 THR 0.52 -0.10 1 95 SER 0.53 -0.12 1 96 GLN 0.37 -0.02 1 97 GLU 0.07 -0.13 1 98 LEU 0.16 -0.06 1 99 ALA -0.18 -0.03 1 100 LEU 0.14 0.06 1 101 THR -0.38 -0.02 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr36143_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.42 _LACS_plot.Line_1_terminator_val_y_1 -1.69 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.22 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.64 _LACS_plot.Line_2_terminator_val_x_2 5.68 _LACS_plot.Line_2_terminator_val_y_2 1.05 _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 10 ARG 3.73 -3.63 0 62 LEU 5.69 -3.48 0 11 SER 2.04 0.73 1 12 ARG 1.04 0.67 1 14 ARG 0.88 -0.01 1 15 ALA 0.37 -0.23 1 16 GLN -0.00 -0.03 1 17 VAL 2.06 -0.06 1 18 GLN -0.99 -1.12 1 19 GLU -2.06 -1.22 1 20 PHE -1.85 -0.49 1 22 ASP 3.00 0.66 1 23 TYR 2.20 1.53 1 25 THR -4.70 0.74 1 26 LYS 4.82 1.40 1 27 GLU 4.54 2.94 1 28 GLU 2.95 1.56 1 30 MET 3.91 2.24 1 31 LYS 3.12 2.17 1 32 ALA 2.42 1.37 1 33 SER -0.35 -0.53 1 34 ASP 1.60 -1.62 1 35 ALA -4.78 -0.75 1 36 ASP 0.00 -0.90 1 40 ARG 1.44 0.71 1 41 LYS -0.77 -2.76 1 42 LEU 0.36 -1.51 1 43 HIS -3.01 -0.41 1 44 PHE -5.66 -0.79 1 45 ARG -4.62 -1.89 1 46 ARG -1.15 -1.02 1 47 ILE -1.09 -1.67 1 48 ILE -1.20 -1.14 1 49 ASN -4.62 -0.04 1 51 HIS -0.94 1.02 1 52 THR 3.08 -1.23 1 53 ASP -2.55 -0.67 1 54 GLU 2.57 1.96 1 55 SER 3.57 1.27 1 56 LEU 0.82 0.88 1 58 ASP -0.22 0.24 1 60 SER 4.48 0.33 1 61 PHE 2.27 1.20 1 63 ASN 0.36 0.58 1 64 THR -0.79 -1.16 1 66 PHE 0.75 -0.65 1 67 HIS -2.08 1.30 1 68 MET 5.02 0.07 1 69 ASP 2.84 -0.17 1 70 THR -1.12 -0.49 1 72 LYS 1.20 -1.87 1 73 TYR 1.14 -1.13 1 74 VAL 4.60 -0.88 1 75 HIS -1.78 -2.45 1 76 TYR -7.42 -1.21 1 77 GLU -6.34 -1.26 1 78 ILE 2.08 -1.14 1 79 ASP -2.03 -1.34 1 80 ALA -1.65 -0.71 1 82 MET -0.05 -0.43 1 83 ASP 0.32 -0.02 1 84 SER 0.26 -0.21 1 85 GLU -0.86 -0.76 1 89 SER 0.26 0.33 1 90 LYS 0.33 -0.39 1 91 ASP 0.19 -0.48 1 92 HIS -0.80 0.76 1 95 SER 0.53 0.32 1 96 GLN 0.37 0.01 1 97 GLU 0.07 -0.07 1 98 LEU 0.16 -0.58 1 99 ALA -0.18 -0.32 1 100 LEU 0.14 -0.01 1 101 THR -0.38 -1.08 1 stop_ save_