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 bmr6928_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.85 _LACS_plot.Line_1_terminator_val_y_1 -2.59 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.33 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.83 _LACS_plot.Line_2_terminator_val_x_2 8.81 _LACS_plot.Line_2_terminator_val_y_2 6.48 _LACS_plot.Y_axis_chem_shift_offset -0.48 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 14 LYS 1.10 4.21 0 13 HIS -4.25 1.28 0 11 GLN -0.40 0.07 1 15 ARG -2.74 -0.40 1 16 TRP -5.11 -0.97 1 17 VAL -4.59 -2.20 1 18 PHE -6.85 -2.18 1 19 THR -5.50 -2.20 1 20 LEU -3.45 -0.87 1 21 ASN -0.14 0.60 1 22 ASN 3.53 2.49 1 24 SER -4.08 -2.03 1 25 GLU 4.18 3.19 1 26 ASP 3.73 3.22 1 27 GLU 2.78 2.52 1 28 ARG 4.34 4.33 1 29 LYS 4.06 3.48 1 30 LYS 3.46 2.98 1 31 ILE 3.38 2.93 1 32 ARG 3.34 2.82 1 33 ASP 0.09 -0.02 1 34 LEU 0.69 1.11 1 36 ILE 4.16 3.38 1 37 SER 1.81 0.67 1 38 LEU 0.96 1.20 1 39 PHE -1.78 0.13 1 40 ASP 2.50 2.73 1 41 TYR -2.09 0.18 1 42 PHE -5.97 -2.18 1 43 ILE -2.83 -1.93 1 44 VAL -3.85 -2.06 1 46 GLU -2.00 -0.75 1 47 GLU -4.89 -1.87 1 49 ASN 0.48 0.21 1 50 GLU -1.68 -0.32 1 51 GLU 1.71 1.20 1 53 ARG -2.27 -1.19 1 54 THR -0.30 0.30 1 56 HIS -3.67 0.48 1 57 LEU -2.45 -2.08 1 58 GLN -3.97 -1.56 1 60 PHE -3.69 -0.73 1 61 ALA -6.37 -1.97 1 62 ASN -1.50 -1.83 1 63 PHE 0.30 2.00 1 64 VAL 4.16 3.58 1 65 LYS -4.79 -2.79 1 66 LYS 2.00 2.21 1 67 GLN -6.11 -2.72 1 68 THR -2.11 -1.25 1 69 PHE 3.35 3.78 1 70 ASN 3.99 2.87 1 71 LYS 2.69 1.16 1 72 VAL 8.82 6.12 1 73 LYS 3.31 2.68 1 74 TRP 5.16 3.56 1 75 TYR 3.41 3.33 1 76 LEU 1.27 1.28 1 78 ALA 2.50 2.49 1 79 ARG 0.24 0.76 1 81 HIS -0.65 1.29 1 82 ILE -4.23 -1.26 1 83 GLU -6.29 -1.70 1 84 LYS 2.64 1.63 1 85 ALA -2.48 -0.04 1 86 LYS -3.16 -0.91 1 88 THR -2.28 -0.77 1 89 ASP 4.76 4.27 1 90 GLN 5.29 3.35 1 91 GLN 4.44 3.35 1 92 ASN 3.68 4.37 1 93 LYS 4.77 3.94 1 94 GLU 3.99 2.98 1 95 TYR 3.86 3.70 1 97 SER -0.12 0.17 1 98 LYS 4.15 3.33 1 99 GLU 0.55 0.11 1 101 ASN -1.68 -1.79 1 102 LEU 1.37 0.46 1 103 LEU -0.16 0.97 1 104 MET -3.42 0.55 1 105 GLU -4.08 -0.73 1 108 ALA -2.30 -0.19 1 110 ARG -2.32 -2.09 1 114 GLN -0.04 0.28 1 115 ARG 0.99 1.62 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6928_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.85 _LACS_plot.Line_1_terminator_val_y_1 4.26 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.67 _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 8.81 _LACS_plot.Line_2_terminator_val_y_2 -2.33 _LACS_plot.Y_axis_chem_shift_offset -0.48 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 14 LYS 1.10 3.11 0 13 HIS -4.25 5.53 0 11 GLN -0.40 0.47 1 15 ARG -2.74 2.34 1 16 TRP -5.11 4.14 1 17 VAL -4.59 2.39 1 18 PHE -6.85 4.67 1 19 THR -5.50 3.30 1 20 LEU -3.45 2.58 1 21 ASN -0.14 0.74 1 22 ASN 3.53 -1.04 1 24 SER -4.08 2.05 1 25 GLU 4.18 -0.99 1 26 ASP 3.73 -0.51 1 27 GLU 2.78 -0.26 1 28 ARG 4.34 -0.01 1 29 LYS 4.06 -0.58 1 30 LYS 3.46 -0.48 1 31 ILE 3.38 -0.45 1 32 ARG 3.34 -0.52 1 33 ASP 0.09 -0.11 1 34 LEU 0.69 0.42 1 36 ILE 4.16 -0.78 1 37 SER 1.81 -1.14 1 38 LEU 0.96 0.24 1 39 PHE -1.78 1.91 1 40 ASP 2.50 0.23 1 41 TYR -2.09 2.27 1 42 PHE -5.97 3.79 1 43 ILE -2.83 0.90 1 44 VAL -3.85 1.79 1 46 GLU -2.00 1.25 1 47 GLU -4.89 3.02 1 49 ASN 0.48 -0.27 1 50 GLU -1.68 1.36 1 51 GLU 1.71 -0.51 1 53 ARG -2.27 1.08 1 54 THR -0.30 0.60 1 56 HIS -3.67 4.15 1 57 LEU -2.45 0.37 1 58 GLN -3.97 2.41 1 60 PHE -3.69 2.96 1 61 ALA -6.37 4.40 1 62 ASN -1.50 -0.33 1 63 PHE 0.30 1.70 1 64 VAL 4.16 -0.58 1 65 LYS -4.79 2.00 1 66 LYS 2.00 0.21 1 67 GLN -6.11 3.39 1 68 THR -2.11 0.86 1 69 PHE 3.35 0.43 1 70 ASN 3.99 -1.12 1 71 LYS 2.69 -1.53 1 72 VAL 8.82 -2.70 1 73 LYS 3.31 -0.63 1 74 TRP 5.16 -1.60 1 75 TYR 3.41 -0.08 1 76 LEU 1.27 0.01 1 78 ALA 2.50 -0.01 1 79 ARG 0.24 0.52 1 81 HIS -0.65 1.94 1 82 ILE -4.23 2.97 1 83 GLU -6.29 4.59 1 84 LYS 2.64 -1.01 1 85 ALA -2.48 2.44 1 86 LYS -3.16 2.25 1 88 THR -2.28 1.51 1 89 ASP 4.76 -0.49 1 90 GLN 5.29 -1.94 1 91 GLN 4.44 -1.09 1 92 ASN 3.68 0.69 1 93 LYS 4.77 -0.83 1 94 GLU 3.99 -1.01 1 95 TYR 3.86 -0.16 1 97 SER -0.12 0.29 1 98 LYS 4.15 -0.82 1 99 GLU 0.55 -0.44 1 101 ASN -1.68 -0.11 1 102 LEU 1.37 -0.91 1 103 LEU -0.16 1.13 1 104 MET -3.42 3.97 1 105 GLU -4.08 3.35 1 108 ALA -2.30 2.11 1 110 ARG -2.32 0.23 1 114 GLN -0.04 0.32 1 115 ARG 0.99 0.63 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6928_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.85 _LACS_plot.Line_1_terminator_val_y_1 0.78 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.26 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.22 _LACS_plot.Line_2_terminator_val_x_2 8.81 _LACS_plot.Line_2_terminator_val_y_2 -1.06 _LACS_plot.Y_axis_chem_shift_offset 0.02 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 15 ARG -2.74 1.49 0 11 GLN -0.40 -0.06 1 13 HIS -4.25 0.30 1 14 LYS 1.10 0.24 1 16 TRP -5.11 0.64 1 17 VAL -4.59 1.28 1 18 PHE -6.85 1.60 1 19 THR -5.50 0.85 1 20 LEU -3.45 0.51 1 21 ASN -0.14 0.09 1 22 ASN 3.53 -0.65 1 24 SER -4.08 0.20 1 25 GLU 4.18 -0.23 1 26 ASP 3.73 -0.28 1 27 GLU 2.78 -0.55 1 28 ARG 4.34 -0.64 1 29 LYS 4.06 -0.59 1 30 LYS 3.46 -0.49 1 31 ILE 3.38 -0.55 1 32 ARG 3.34 -0.19 1 33 ASP 0.09 -0.02 1 34 LEU 0.69 -0.47 1 36 ILE 4.16 -0.09 1 37 SER 1.81 -0.30 1 38 LEU 0.96 -0.55 1 39 PHE -1.78 0.20 1 40 ASP 2.50 0.25 1 41 TYR -2.09 0.57 1 42 PHE -5.97 0.10 1 43 ILE -2.83 0.51 1 44 VAL -3.85 0.39 1 46 GLU -2.00 0.49 1 47 GLU -4.89 0.29 1 49 ASN 0.48 -0.07 1 50 GLU -1.68 -0.04 1 51 GLU 1.71 -0.27 1 53 ARG -2.27 0.27 1 54 THR -0.30 0.07 1 56 HIS -3.67 0.59 1 57 LEU -2.45 0.91 1 58 GLN -3.97 0.32 1 60 PHE -3.69 0.70 1 61 ALA -6.37 0.14 1 62 ASN -1.50 0.46 1 63 PHE 0.30 0.00 1 64 VAL 4.16 -0.49 1 65 LYS -4.79 0.31 1 66 LYS 2.00 -0.74 1 67 GLN -6.11 0.47 1 68 THR -2.11 0.14 1 69 PHE 3.35 -1.28 1 70 ASN 3.99 -0.60 1 71 LYS 2.69 -0.44 1 72 VAL 8.82 -0.92 1 73 LYS 3.31 -0.92 1 74 TRP 5.16 -0.65 1 75 TYR 3.41 -0.56 1 76 LEU 1.27 -0.42 1 78 ALA 2.50 -0.48 1 79 ARG 0.24 -0.02 1 81 HIS -0.65 0.22 1 82 ILE -4.23 1.24 1 83 GLU -6.29 0.63 1 84 LYS 2.64 -0.65 1 85 ALA -2.48 0.03 1 86 LYS -3.16 0.28 1 88 THR -2.28 0.02 1 89 ASP 4.76 -0.76 1 90 GLN 5.29 -0.68 1 91 GLN 4.44 -0.43 1 92 ASN 3.68 -0.47 1 93 LYS 4.77 -0.29 1 94 GLU 3.99 -0.56 1 95 TYR 3.86 -0.23 1 97 SER -0.12 0.02 1 98 LYS 4.15 -0.15 1 99 GLU 0.55 0.16 1 101 ASN -1.68 0.28 1 102 LEU 1.37 0.11 1 103 LEU -0.16 0.14 1 104 MET -3.42 0.02 1 105 GLU -4.08 0.83 1 108 ALA -2.30 0.13 1 110 ARG -2.32 0.20 1 114 GLN -0.04 -0.02 1 115 ARG 0.99 -0.19 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6928_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.85 _LACS_plot.Line_1_terminator_val_y_1 -2.64 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.79 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.74 _LACS_plot.Line_2_terminator_val_x_2 8.81 _LACS_plot.Line_2_terminator_val_y_2 3.25 _LACS_plot.Y_axis_chem_shift_offset -0.01 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 72 VAL 8.82 1.77 0 13 HIS -4.25 2.16 0 43 ILE -2.83 -5.09 0 115 ARG 0.99 4.77 0 11 GLN -0.40 -0.76 1 14 LYS 1.10 -0.76 1 15 ARG -2.74 -0.83 1 16 TRP -5.11 -1.29 1 17 VAL -4.59 -1.33 1 18 PHE -6.85 -2.97 1 19 THR -5.50 -0.90 1 20 LEU -3.45 -2.59 1 21 ASN -0.14 -0.70 1 24 SER -4.08 1.18 1 25 GLU 4.18 2.61 1 26 ASP 3.73 2.78 1 27 GLU 2.78 3.03 1 28 ARG 4.34 1.41 1 29 LYS 4.06 0.18 1 30 LYS 3.46 2.08 1 31 ILE 3.38 0.19 1 32 ARG 3.34 1.29 1 33 ASP 0.09 0.29 1 34 LEU 0.69 -1.41 1 36 ILE 4.16 1.90 1 37 SER 1.81 0.95 1 38 LEU 0.96 0.88 1 39 PHE -1.78 0.18 1 40 ASP 2.50 1.01 1 41 TYR -2.09 -4.09 1 42 PHE -5.97 -4.36 1 44 VAL -3.85 -2.17 1 46 GLU -2.00 -1.10 1 47 GLU -4.89 -0.28 1 49 ASN 0.48 0.23 1 50 GLU -1.68 -0.72 1 51 GLU 1.71 0.73 1 53 ARG -2.27 -0.96 1 56 HIS -3.67 -0.90 1 57 LEU -2.45 -1.68 1 58 GLN -3.97 -2.14 1 60 PHE -3.69 -5.00 1 61 ALA -6.37 -5.06 1 62 ASN -1.50 1.97 1 63 PHE 0.30 -0.90 1 64 VAL 4.16 0.54 1 65 LYS -4.79 -1.65 1 66 LYS 2.00 -0.88 1 67 GLN -6.11 0.57 1 68 THR -2.11 -0.42 1 69 PHE 3.35 0.42 1 70 ASN 3.99 3.01 1 71 LYS 2.69 0.95 1 73 LYS 3.31 1.77 1 74 TRP 5.16 2.10 1 75 TYR 3.41 1.40 1 76 LEU 1.27 -1.54 1 78 ALA 2.50 -1.41 1 79 ARG 0.24 1.30 1 81 HIS -0.65 1.26 1 82 ILE -4.23 -1.88 1 83 GLU -6.29 -2.04 1 84 LYS 2.64 0.01 1 85 ALA -2.48 -1.18 1 86 LYS -3.16 0.07 1 88 THR -2.28 2.30 1 89 ASP 4.76 1.82 1 90 GLN 5.29 1.70 1 91 GLN 4.44 3.32 1 92 ASN 3.68 1.57 1 93 LYS 4.77 2.80 1 94 GLU 3.99 2.51 1 95 TYR 3.86 2.79 1 97 SER -0.12 1.33 1 98 LYS 4.15 0.33 1 99 GLU 0.55 1.10 1 101 ASN -1.68 -1.45 1 102 LEU 1.37 -0.48 1 103 LEU -0.16 -1.09 1 104 MET -3.42 -3.97 1 105 GLU -4.08 -1.82 1 110 ARG -2.32 0.43 1 114 GLN -0.04 -0.87 1 stop_ save_