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 bmr25514_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -5.88 _LACS_plot.Line_1_terminator_val_y_1 -2.06 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.66 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.28 _LACS_plot.Line_2_terminator_val_x_2 7.77 _LACS_plot.Line_2_terminator_val_y_2 6.06 _LACS_plot.Y_axis_chem_shift_offset -0.10 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 19 GLU -3.62 0.29 0 10 ARG 0.82 0.46 1 11 GLN 0.74 0.33 1 12 ARG 0.07 0.08 1 13 SER -3.09 -1.02 1 14 LEU -1.97 -1.02 1 16 THR -1.16 -1.29 1 17 SER -0.60 0.60 1 20 SER 7.70 5.83 1 21 LEU 3.77 2.39 1 22 TYR 6.06 4.38 1 23 HIS 4.06 3.14 1 24 VAL 5.12 3.64 1 25 LEU -1.91 -1.59 1 27 LEU -5.88 -2.21 1 28 ASP -4.22 -1.99 1 29 LYS 1.89 1.21 1 30 ASN 0.98 -0.16 1 31 ALA -1.43 0.43 1 32 THR -3.35 -1.38 1 33 SER 5.54 4.15 1 34 ASP 3.70 3.57 1 35 ASP 3.59 3.48 1 36 ILE 4.90 4.47 1 37 LYS 4.99 4.55 1 38 LYS 4.15 3.81 1 39 SER 4.28 3.50 1 40 TYR 3.83 3.87 1 41 ARG 4.59 3.56 1 42 LYS 3.53 3.19 1 43 LEU 2.38 2.31 1 44 ALA 5.01 2.87 1 45 LEU 2.61 2.20 1 46 LYS 2.70 2.54 1 47 TYR 0.51 0.16 1 48 HIS 1.36 3.30 1 50 ASP 3.36 2.31 1 51 LYS -1.42 -1.38 1 52 ASN -2.41 0.24 1 54 ASP 1.11 0.31 1 55 ASN -1.93 -1.11 1 57 GLU 2.97 2.27 1 58 ALA 3.75 2.47 1 59 ALA 3.89 2.65 1 60 ASP 3.99 3.17 1 61 LYS 4.37 2.18 1 62 PHE 4.34 3.79 1 63 LYS 4.57 3.71 1 64 GLU 2.82 2.80 1 65 ILE 4.38 4.03 1 66 ASN 4.19 3.51 1 67 ASN 3.61 3.50 1 68 ALA 3.49 2.97 1 69 HIS 4.34 5.18 1 70 ALA 3.52 2.43 1 71 ILE 3.64 2.53 1 72 LEU 1.90 1.42 1 73 THR 0.46 -0.34 1 74 ASP -3.00 -1.44 1 75 ALA 3.93 3.31 1 76 THR 5.62 4.22 1 77 LYS 3.87 3.72 1 78 ARG 6.75 4.66 1 79 ASN 3.74 3.50 1 80 ILE 4.16 4.03 1 81 TYR 3.31 3.82 1 82 ASP 3.79 2.42 1 83 LYS 1.06 1.94 1 84 TYR -4.59 -1.28 1 86 SER 7.78 7.11 1 87 LEU 3.81 3.03 1 89 LEU 3.42 2.49 1 90 TYR 3.47 3.23 1 91 VAL 5.76 4.27 1 92 ALA 2.94 2.03 1 93 GLU 2.54 2.15 1 94 GLN 2.12 1.40 1 95 PHE -0.89 -0.33 1 97 GLU 3.17 2.80 1 98 GLU 2.32 1.22 1 99 ASN -0.69 0.20 1 100 VAL 4.27 3.38 1 101 ASN 3.49 2.68 1 102 THR 2.46 1.73 1 103 TYR 1.62 1.85 1 104 PHE -0.32 0.46 1 105 VAL 1.70 1.70 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25514_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -5.88 _LACS_plot.Line_1_terminator_val_y_1 3.82 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.34 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.72 _LACS_plot.Line_2_terminator_val_x_2 7.77 _LACS_plot.Line_2_terminator_val_y_2 -1.71 _LACS_plot.Y_axis_chem_shift_offset -0.10 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 19 GLU -3.62 3.91 0 10 ARG 0.82 -0.36 1 11 GLN 0.74 -0.41 1 12 ARG 0.07 0.01 1 13 SER -3.09 2.07 1 14 LEU -1.97 0.95 1 16 THR -1.16 -0.13 1 17 SER -0.60 1.20 1 20 SER 7.70 -1.87 1 21 LEU 3.77 -1.38 1 22 TYR 6.06 -1.68 1 23 HIS 4.06 -0.92 1 24 VAL 5.12 -1.48 1 25 LEU -1.91 0.32 1 27 LEU -5.88 3.67 1 28 ASP -4.22 2.23 1 29 LYS 1.89 -0.68 1 30 ASN 0.98 -1.14 1 31 ALA -1.43 1.86 1 32 THR -3.35 1.97 1 33 SER 5.54 -1.39 1 34 ASP 3.70 -0.13 1 35 ASP 3.59 -0.11 1 36 ILE 4.90 -0.43 1 37 LYS 4.99 -0.44 1 38 LYS 4.15 -0.34 1 39 SER 4.28 -0.78 1 40 TYR 3.83 0.04 1 41 ARG 4.59 -1.03 1 42 LYS 3.53 -0.34 1 43 LEU 2.38 -0.07 1 44 ALA 5.01 -2.14 1 45 LEU 2.61 -0.41 1 46 LYS 2.70 -0.16 1 47 TYR 0.51 -0.35 1 48 HIS 1.36 1.94 1 50 ASP 3.36 -1.05 1 51 LYS -1.42 0.04 1 52 ASN -2.41 2.65 1 54 ASP 1.11 -0.80 1 55 ASN -1.93 0.82 1 57 GLU 2.97 -0.70 1 58 ALA 3.75 -1.28 1 59 ALA 3.89 -1.24 1 60 ASP 3.99 -0.82 1 61 LYS 4.37 -2.19 1 62 PHE 4.34 -0.55 1 63 LYS 4.57 -0.86 1 64 GLU 2.82 -0.02 1 65 ILE 4.38 -0.35 1 66 ASN 4.19 -0.68 1 67 ASN 3.61 -0.11 1 68 ALA 3.49 -0.52 1 69 HIS 4.34 0.84 1 70 ALA 3.52 -1.09 1 71 ILE 3.64 -1.11 1 72 LEU 1.90 -0.48 1 73 THR 0.46 -0.80 1 74 ASP -3.00 1.56 1 75 ALA 3.93 -0.62 1 76 THR 5.62 -1.40 1 77 LYS 3.87 -0.15 1 78 ARG 6.75 -2.09 1 79 ASN 3.74 -0.24 1 80 ILE 4.16 -0.13 1 81 TYR 3.31 0.51 1 82 ASP 3.79 -1.37 1 83 LYS 1.06 0.88 1 84 TYR -4.59 3.31 1 86 SER 7.78 -0.67 1 87 LEU 3.81 -0.78 1 89 LEU 3.42 -0.93 1 90 TYR 3.47 -0.24 1 91 VAL 5.76 -1.49 1 92 ALA 2.94 -0.91 1 93 GLU 2.54 -0.39 1 94 GLN 2.12 -0.72 1 95 PHE -0.89 0.56 1 97 GLU 3.17 -0.37 1 98 GLU 2.32 -1.10 1 99 ASN -0.69 0.89 1 100 VAL 4.27 -0.89 1 101 ASN 3.49 -0.81 1 102 THR 2.46 -0.73 1 103 TYR 1.62 0.23 1 104 PHE -0.32 0.78 1 105 VAL 1.70 0.00 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25514_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -5.88 _LACS_plot.Line_1_terminator_val_y_1 0.34 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.28 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.03 _LACS_plot.Line_2_terminator_val_x_2 7.77 _LACS_plot.Line_2_terminator_val_y_2 -0.71 _LACS_plot.Y_axis_chem_shift_offset 0.12 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 29 LYS 1.89 -2.12 0 10 ARG 0.82 -0.14 1 11 GLN 0.74 -0.20 1 12 ARG 0.07 -0.10 1 13 SER -3.09 -0.01 1 14 LEU -1.97 0.17 1 16 THR -1.16 0.54 1 17 SER -0.60 -0.05 1 19 GLU -3.62 0.36 1 20 SER 7.70 -0.47 1 21 LEU 3.77 -0.42 1 22 TYR 6.06 -0.86 1 23 HIS 4.06 -0.13 1 24 VAL 5.12 -0.41 1 25 LEU -1.91 -0.01 1 27 LEU -5.88 0.40 1 28 ASP -4.22 0.02 1 30 ASN 0.98 -0.29 1 31 ALA -1.43 0.04 1 32 THR -3.35 0.24 1 33 SER 5.54 -0.56 1 34 ASP 3.70 -0.23 1 35 ASP 3.59 -0.28 1 36 ILE 4.90 -0.67 1 37 LYS 4.99 -0.26 1 38 LYS 4.15 -0.36 1 39 SER 4.28 -0.22 1 40 TYR 3.83 -0.67 1 41 ARG 4.59 -0.90 1 42 LYS 3.53 -0.36 1 43 LEU 2.38 -0.32 1 44 ALA 5.01 -0.43 1 45 LEU 2.61 -0.32 1 46 LYS 2.70 -0.49 1 47 TYR 0.51 -0.07 1 48 HIS 1.36 -1.48 1 50 ASP 3.36 -0.29 1 51 LYS -1.42 0.02 1 52 ASN -2.41 0.07 1 54 ASP 1.11 -0.26 1 55 ASN -1.93 0.13 1 57 GLU 2.97 -0.17 1 58 ALA 3.75 -0.35 1 59 ALA 3.89 -0.10 1 60 ASP 3.99 -0.23 1 61 LYS 4.37 -0.42 1 62 PHE 4.34 -0.62 1 63 LYS 4.57 -0.39 1 64 GLU 2.82 -0.30 1 65 ILE 4.38 -0.51 1 66 ASN 4.19 -0.46 1 67 ASN 3.61 -0.46 1 68 ALA 3.49 -0.65 1 69 HIS 4.34 -1.21 1 70 ALA 3.52 -0.84 1 71 ILE 3.64 -0.75 1 72 LEU 1.90 -0.69 1 73 THR 0.46 -0.30 1 74 ASP -3.00 0.05 1 75 ALA 3.93 -0.43 1 76 THR 5.62 -0.38 1 77 LYS 3.87 -0.47 1 78 ARG 6.75 -0.70 1 79 ASN 3.74 -0.32 1 80 ILE 4.16 -0.51 1 81 TYR 3.31 -0.67 1 82 ASP 3.79 -0.22 1 83 LYS 1.06 -0.39 1 84 TYR -4.59 0.11 1 86 SER 7.78 -0.23 1 87 LEU 3.81 -0.10 1 89 LEU 3.42 -0.27 1 90 TYR 3.47 -0.32 1 91 VAL 5.76 -0.89 1 92 ALA 2.94 -0.63 1 93 GLU 2.54 -0.49 1 94 GLN 2.12 -0.68 1 95 PHE -0.89 0.08 1 97 GLU 3.17 -0.54 1 98 GLU 2.32 -0.17 1 99 ASN -0.69 0.18 1 100 VAL 4.27 -0.44 1 101 ASN 3.49 -0.30 1 102 THR 2.46 -0.37 1 103 TYR 1.62 -0.59 1 104 PHE -0.32 -0.15 1 105 VAL 1.70 -0.15 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25514_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -5.88 _LACS_plot.Line_1_terminator_val_y_1 -2.07 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.81 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.67 _LACS_plot.Line_2_terminator_val_x_2 7.77 _LACS_plot.Line_2_terminator_val_y_2 2.99 _LACS_plot.Y_axis_chem_shift_offset -0.08 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 19 GLU -3.62 3.16 0 10 ARG 0.82 0.11 1 11 GLN 0.74 -0.16 1 12 ARG 0.07 -0.19 1 13 SER -3.09 -0.86 1 14 LEU -1.97 -1.05 1 16 THR -1.16 0.23 1 17 SER -0.60 0.85 1 20 SER 7.70 3.24 1 21 LEU 3.77 0.92 1 22 TYR 6.06 3.56 1 24 VAL 5.12 0.03 1 25 LEU -1.91 -1.52 1 27 LEU -5.88 -2.69 1 28 ASP -4.22 -1.18 1 29 LYS 1.89 -0.63 1 30 ASN 0.98 -0.03 1 31 ALA -1.43 0.16 1 32 THR -3.35 1.33 1 33 SER 5.54 2.05 1 34 ASP 3.70 1.78 1 35 ASP 3.59 3.07 1 36 ILE 4.90 0.80 1 37 LYS 4.99 2.35 1 38 LYS 4.15 3.03 1 39 SER 4.28 1.82 1 40 TYR 3.83 -0.28 1 41 ARG 4.59 2.48 1 42 LYS 3.53 2.93 1 43 LEU 2.38 0.82 1 44 ALA 5.01 1.51 1 45 LEU 2.61 1.31 1 46 LYS 2.70 1.65 1 47 TYR 0.51 -2.71 1 50 ASP 3.36 1.50 1 51 LYS -1.42 -1.06 1 52 ASN -2.41 -2.14 1 54 ASP 1.11 -1.60 1 55 ASN -1.93 0.15 1 57 GLU 2.97 2.10 1 58 ALA 3.75 0.74 1 59 ALA 3.89 3.04 1 60 ASP 3.99 2.62 1 61 LYS 4.37 2.21 1 62 PHE 4.34 1.73 1 63 LYS 4.57 2.54 1 64 GLU 2.82 3.49 1 65 ILE 4.38 1.16 1 66 ASN 4.19 2.58 1 67 ASN 3.61 0.60 1 68 ALA 3.49 0.61 1 70 ALA 3.52 1.81 1 71 ILE 3.64 0.41 1 72 LEU 1.90 -0.14 1 73 THR 0.46 -1.61 1 74 ASP -3.00 -1.33 1 75 ALA 3.93 2.16 1 76 THR 5.62 2.44 1 77 LYS 3.87 1.73 1 78 ARG 6.75 1.05 1 79 ASN 3.74 2.76 1 80 ILE 4.16 0.76 1 81 TYR 3.31 1.71 1 82 ASP 3.79 1.56 1 83 LYS 1.06 0.85 1 84 TYR -4.59 -0.04 1 86 SER 7.78 3.64 1 87 LEU 3.81 0.41 1 89 LEU 3.42 1.48 1 90 TYR 3.47 1.56 1 91 VAL 5.76 1.70 1 92 ALA 2.94 2.08 1 93 GLU 2.54 1.46 1 94 GLN 2.12 1.59 1 95 PHE -0.89 0.46 1 97 GLU 3.17 1.32 1 98 GLU 2.32 0.18 1 99 ASN -0.69 0.49 1 100 VAL 4.27 -0.01 1 101 ASN 3.49 1.55 1 102 THR 2.46 -0.08 1 103 TYR 1.62 -0.45 1 104 PHE -0.32 -1.18 1 105 VAL 1.70 4.66 1 stop_ save_