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 bmr5187_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.13 _LACS_plot.Line_1_terminator_val_y_1 -5.06 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.17 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.47 _LACS_plot.Line_2_terminator_val_x_2 7.51 _LACS_plot.Line_2_terminator_val_y_2 5.53 _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 19 HIS 3.62 4.96 0 11 LYS -1.50 -1.15 1 13 TYR 3.12 2.29 1 14 ALA 3.23 1.75 1 15 ASP 2.53 2.40 1 16 VAL 5.30 3.29 1 17 ALA 5.28 3.30 1 18 THR 5.93 4.41 1 20 PHE 5.46 5.26 1 21 ARG 5.72 4.91 1 22 THR 6.05 4.77 1 23 LEU 2.57 2.40 1 24 ILE 3.29 3.38 1 25 LYS 4.52 2.99 1 26 SER 0.62 0.59 1 28 GLU 2.52 2.40 1 29 LEU -3.31 -1.76 1 30 ALA -1.89 -1.09 1 33 ASP 0.50 0.35 1 34 THR -0.95 -0.97 1 35 LEU 3.21 1.35 1 37 SER -2.23 -1.25 1 38 VAL 6.95 5.17 1 39 ALA 3.85 2.87 1 40 ASP 4.01 2.98 1 41 ILE 5.93 4.85 1 42 ARG 4.91 4.34 1 43 ALA 2.62 1.72 1 44 GLN 3.88 2.54 1 45 PHE -1.00 0.68 1 47 VAL -6.97 -4.42 1 48 ALA -1.96 -1.31 1 49 ALA 5.31 3.64 1 50 LYS 4.17 2.69 1 51 THR 5.86 4.00 1 52 VAL 7.51 5.13 1 53 SER 3.07 3.63 1 54 ARG 4.08 2.73 1 55 ALA 2.76 2.73 1 56 LEU 4.49 2.42 1 57 ALA 4.16 2.55 1 58 VAL 5.63 4.08 1 59 LEU 2.58 2.49 1 60 LYS 3.81 2.97 1 61 SER 4.57 3.26 1 62 GLU -0.86 -0.16 1 64 LEU -0.54 0.87 1 65 VAL -8.13 -5.42 1 66 SER -2.91 -1.45 1 67 SER -0.04 -0.20 1 68 ARG -1.44 -2.15 1 70 ALA 1.96 1.15 1 71 LEU 0.71 0.02 1 73 THR 1.22 0.45 1 74 VAL -5.69 -3.21 1 75 VAL 2.74 1.21 1 76 GLU -2.15 -0.73 1 77 LYS 0.14 -0.09 1 78 ASN -0.37 -0.17 1 80 ILE 0.61 0.03 1 81 VAL 0.21 -0.08 1 82 ILE 0.07 -0.49 1 83 THR -0.16 -0.20 1 85 ALA 0.50 0.28 1 86 ASP 0.59 0.29 1 87 ARG 1.45 0.87 1 88 LEU 1.30 0.42 1 89 LYS 7.52 6.52 1 90 ARG -4.17 -3.07 1 91 MET -2.80 -2.22 1 92 GLU -0.82 -0.39 1 93 LYS 0.10 -0.08 1 94 ASN -0.54 1.53 1 96 MET 0.42 -0.13 1 97 ARG 0.06 -0.19 1 98 TYR -0.67 -0.65 1 99 ALA -0.91 -0.59 1 102 GLU 0.08 0.95 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5187_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.13 _LACS_plot.Line_1_terminator_val_y_1 3.07 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.83 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.53 _LACS_plot.Line_2_terminator_val_x_2 7.51 _LACS_plot.Line_2_terminator_val_y_2 -1.98 _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 19 HIS 3.62 1.34 0 11 LYS -1.50 0.35 1 13 TYR 3.12 -0.83 1 14 ALA 3.23 -1.48 1 15 ASP 2.53 -0.13 1 16 VAL 5.30 -2.01 1 17 ALA 5.28 -1.98 1 18 THR 5.93 -1.52 1 20 PHE 5.46 -0.20 1 21 ARG 5.72 -0.81 1 22 THR 6.05 -1.28 1 23 LEU 2.57 -0.17 1 24 ILE 3.29 0.09 1 25 LYS 4.52 -1.53 1 26 SER 0.62 -0.03 1 28 GLU 2.52 -0.12 1 29 LEU -3.31 1.55 1 30 ALA -1.89 0.80 1 33 ASP 0.50 -0.15 1 34 THR -0.95 -0.02 1 35 LEU 3.21 -1.86 1 37 SER -2.23 0.98 1 38 VAL 6.95 -1.78 1 39 ALA 3.85 -0.98 1 40 ASP 4.01 -1.03 1 41 ILE 5.93 -1.08 1 42 ARG 4.91 -0.57 1 43 ALA 2.62 -0.90 1 44 GLN 3.88 -1.34 1 45 PHE -1.00 1.68 1 47 VAL -6.97 2.55 1 48 ALA -1.96 0.65 1 49 ALA 5.31 -1.67 1 50 LYS 4.17 -1.48 1 51 THR 5.86 -1.86 1 52 VAL 7.51 -2.38 1 53 SER 3.07 0.56 1 54 ARG 4.08 -1.35 1 55 ALA 2.76 -0.03 1 56 LEU 4.49 -2.07 1 57 ALA 4.16 -1.61 1 58 VAL 5.63 -1.55 1 59 LEU 2.58 -0.09 1 60 LYS 3.81 -0.84 1 61 SER 4.57 -1.31 1 62 GLU -0.86 0.70 1 64 LEU -0.54 1.41 1 65 VAL -8.13 2.71 1 66 SER -2.91 1.46 1 67 SER -0.04 -0.16 1 68 ARG -1.44 -0.71 1 70 ALA 1.96 -0.81 1 71 LEU 0.71 -0.69 1 73 THR 1.22 -0.77 1 74 VAL -5.69 2.48 1 75 VAL 2.74 -1.53 1 76 GLU -2.15 1.42 1 77 LYS 0.14 -0.23 1 78 ASN -0.37 0.20 1 80 ILE 0.61 -0.58 1 81 VAL 0.21 -0.29 1 82 ILE 0.07 -0.56 1 83 THR -0.16 -0.04 1 85 ALA 0.50 -0.22 1 86 ASP 0.59 -0.30 1 87 ARG 1.45 -0.58 1 88 LEU 1.30 -0.88 1 89 LYS 7.52 -1.00 1 90 ARG -4.17 1.10 1 91 MET -2.80 0.58 1 92 GLU -0.82 0.43 1 93 LYS 0.10 -0.18 1 94 ASN -0.54 2.07 1 96 MET 0.42 -0.55 1 97 ARG 0.06 -0.25 1 98 TYR -0.67 0.02 1 99 ALA -0.91 0.32 1 102 GLU 0.08 0.87 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5187_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -8.13 _LACS_plot.Line_1_terminator_val_y_1 0.56 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.17 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.10 _LACS_plot.Line_2_terminator_val_x_2 7.51 _LACS_plot.Line_2_terminator_val_y_2 -0.54 _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 16 VAL 5.30 0.49 0 65 VAL -8.13 1.28 0 11 LYS -1.50 0.12 1 13 TYR 3.12 -0.49 1 14 ALA 3.23 -0.54 1 15 ASP 2.53 -0.27 1 17 ALA 5.28 -0.29 1 18 THR 5.93 -0.35 1 19 HIS 3.62 -0.51 1 20 PHE 5.46 -0.52 1 21 ARG 5.72 -0.66 1 22 THR 6.05 -0.07 1 23 LEU 2.57 -0.30 1 24 ILE 3.29 0.03 1 25 LYS 4.52 -0.21 1 26 SER 0.62 -0.04 1 28 GLU 2.52 -0.35 1 29 LEU -3.31 0.28 1 30 ALA -1.89 -0.12 1 33 ASP 0.50 0.04 1 34 THR -0.95 0.45 1 35 LEU 3.21 -0.42 1 37 SER -2.23 -0.19 1 38 VAL 6.95 -0.61 1 39 ALA 3.85 -0.36 1 40 ASP 4.01 -0.15 1 41 ILE 5.93 -0.26 1 42 ARG 4.91 -0.50 1 43 ALA 2.62 -0.12 1 44 GLN 3.88 -0.47 1 45 PHE -1.00 -0.16 1 47 VAL -6.97 0.77 1 48 ALA -1.96 -0.02 1 49 ALA 5.31 -0.56 1 50 LYS 4.17 -0.21 1 51 THR 5.86 -0.27 1 52 VAL 7.51 -0.76 1 53 SER 3.07 -0.09 1 54 ARG 4.08 -0.33 1 55 ALA 2.76 -0.20 1 56 LEU 4.49 -0.48 1 57 ALA 4.16 -0.25 1 58 VAL 5.63 -0.35 1 59 LEU 2.58 -0.31 1 60 LYS 3.81 -0.01 1 61 SER 4.57 -0.15 1 62 GLU -0.86 -0.08 1 64 LEU -0.54 0.02 1 66 SER -2.91 0.14 1 67 SER -0.04 0.30 1 68 ARG -1.44 0.30 1 70 ALA 1.96 -0.14 1 71 LEU 0.71 -0.04 1 73 THR 1.22 0.38 1 74 VAL -5.69 0.84 1 75 VAL 2.74 -0.10 1 76 GLU -2.15 -0.11 1 77 LYS 0.14 0.00 1 78 ASN -0.37 -0.10 1 80 ILE 0.61 -0.05 1 81 VAL 0.21 -0.01 1 82 ILE 0.07 0.09 1 83 THR -0.16 0.03 1 85 ALA 0.50 -0.07 1 86 ASP 0.59 -0.13 1 87 ARG 1.45 -0.12 1 88 LEU 1.30 -0.09 1 89 LYS 7.52 0.14 1 90 ARG -4.17 0.43 1 91 MET -2.80 -0.16 1 92 GLU -0.82 0.04 1 93 LYS 0.10 -0.01 1 94 ASN -0.54 -0.25 1 96 MET 0.42 -0.05 1 97 ARG 0.06 -0.07 1 98 TYR -0.67 0.02 1 99 ALA -0.91 -0.04 1 102 GLU 0.08 -0.21 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5187_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -8.13 _LACS_plot.Line_1_terminator_val_y_1 -3.12 _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 -0.84 _LACS_plot.Line_2_terminator_val_x_2 7.51 _LACS_plot.Line_2_terminator_val_y_2 2.71 _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 102 GLU 0.08 4.45 0 11 LYS -1.50 -0.45 1 13 TYR 3.12 0.88 1 14 ALA 3.23 2.09 1 15 ASP 2.53 2.23 1 16 VAL 5.30 0.78 1 17 ALA 5.28 1.13 1 18 THR 5.93 1.17 1 19 HIS 3.62 2.93 1 20 PHE 5.46 1.35 1 21 ARG 5.72 2.13 1 22 THR 6.05 1.94 1 23 LEU 2.57 1.30 1 24 ILE 3.29 3.49 1 25 LYS 4.52 1.90 1 26 SER 0.62 0.92 1 28 GLU 2.52 1.13 1 29 LEU -3.31 -3.42 1 30 ALA -1.89 -1.60 1 33 ASP 0.50 -0.79 1 34 THR -0.95 0.41 1 35 LEU 3.21 -1.05 1 37 SER -2.23 -0.07 1 38 VAL 6.95 1.61 1 39 ALA 3.85 2.47 1 40 ASP 4.01 3.00 1 41 ILE 5.93 2.25 1 42 ARG 4.91 3.13 1 43 ALA 2.62 1.63 1 44 GLN 3.88 1.48 1 45 PHE -1.00 -0.33 1 47 VAL -6.97 -1.34 1 48 ALA -1.96 0.53 1 49 ALA 5.31 2.55 1 50 LYS 4.17 1.47 1 51 THR 5.86 1.10 1 52 VAL 7.51 1.02 1 53 SER 3.07 2.74 1 54 ARG 4.08 1.80 1 55 ALA 2.76 1.53 1 56 LEU 4.49 1.34 1 57 ALA 4.16 3.33 1 58 VAL 5.63 2.43 1 59 LEU 2.58 1.76 1 60 LYS 3.81 4.33 1 61 SER 4.57 1.18 1 62 GLU -0.86 -0.14 1 64 LEU -0.54 -0.08 1 65 VAL -8.13 -2.35 1 66 SER -2.91 -1.44 1 67 SER -0.04 0.22 1 68 ARG -1.44 0.32 1 70 ALA 1.96 0.48 1 71 LEU 0.71 -0.52 1 73 THR 1.22 -1.70 1 74 VAL -5.69 -1.11 1 75 VAL 2.74 0.86 1 76 GLU -2.15 -1.26 1 77 LYS 0.14 -1.12 1 78 ASN -0.37 -0.51 1 80 ILE 0.61 -0.48 1 81 VAL 0.21 -0.54 1 82 ILE 0.07 -0.13 1 83 THR -0.16 0.25 1 85 ALA 0.50 -0.12 1 86 ASP 0.59 0.12 1 87 ARG 1.45 0.09 1 88 LEU 1.30 -0.02 1 89 LYS 7.52 -0.02 1 90 ARG -4.17 -2.08 1 91 MET -2.80 -1.83 1 92 GLU -0.82 -0.94 1 93 LYS 0.10 -1.48 1 94 ASN -0.54 1.07 1 96 MET 0.42 -0.33 1 97 ARG 0.06 -0.75 1 98 TYR -0.67 -1.24 1 99 ALA -0.91 -1.60 1 stop_ save_