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 bmr12032_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.37 _LACS_plot.Line_1_terminator_val_y_1 -2.40 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.34 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.88 _LACS_plot.Line_2_terminator_val_x_2 7.09 _LACS_plot.Line_2_terminator_val_y_2 5.20 _LACS_plot.Y_axis_chem_shift_offset -0.14 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 62 ARG -6.86 -0.31 0 37 ILE 0.47 -2.17 0 73 GLU -8.37 -1.10 0 10 GLU 4.70 3.63 1 11 GLU 2.32 3.39 1 12 MET 1.57 2.92 1 13 SER -0.80 0.22 1 14 ARG 1.04 1.52 1 15 ASP -0.74 0.25 1 16 TRP -2.57 -1.55 1 17 PHE -3.92 -1.52 1 18 MET -4.59 -1.43 1 19 LEU 2.58 2.33 1 20 MET -3.09 -0.81 1 22 LYS -2.26 -0.45 1 23 GLN -4.58 -1.42 1 24 LYS -5.38 -1.42 1 25 VAL -1.24 -0.68 1 26 ALA -2.55 -1.51 1 28 SER 0.11 -0.20 1 29 LEU -3.67 -1.69 1 31 ILE -1.60 0.13 1 32 ARG -5.51 -1.56 1 33 MET -3.59 -0.26 1 34 ASP -2.58 -1.34 1 35 GLN 1.38 1.46 1 36 ALA -1.07 0.39 1 38 MET -4.84 -0.45 1 39 ASP 2.91 1.61 1 40 LYS -3.95 -2.53 1 41 ASN -0.63 -0.22 1 42 ILE -4.69 -2.35 1 43 ILE -6.63 -3.40 1 44 LEU -0.65 -1.06 1 45 LYS -4.97 -0.88 1 46 ALA -7.38 -0.94 1 47 ASN -2.02 -2.00 1 48 PHE -2.70 -1.32 1 49 SER -4.67 -2.10 1 50 VAL -5.17 -1.99 1 51 ILE -3.14 -1.12 1 52 PHE 6.34 3.52 1 58 LEU -1.23 0.35 1 59 ILE 3.19 2.09 1 60 LEU -3.70 0.45 1 61 LEU -5.03 -0.80 1 63 ALA -4.69 -3.33 1 64 PHE -5.12 -1.65 1 65 THR -2.35 -0.90 1 66 GLU 3.17 2.83 1 67 GLU 1.18 0.75 1 69 ALA -1.03 -0.77 1 70 ILE 0.87 0.13 1 71 VAL -3.27 -2.21 1 74 ILE -2.49 -0.34 1 75 SER -4.28 -2.19 1 79 SER -0.46 1.14 1 83 HIS -1.09 0.52 1 84 THR -5.09 -2.00 1 85 ASP 4.75 3.31 1 86 GLU 2.82 2.53 1 87 ASP 3.50 3.50 1 88 VAL 6.45 4.97 1 89 LYS 5.38 4.38 1 90 ASN 3.69 3.02 1 91 ALA 2.59 2.95 1 92 VAL 6.87 5.08 1 94 VAL 5.09 3.84 1 95 LEU 2.97 3.06 1 96 ILE 7.10 6.32 1 99 LEU 2.06 2.43 1 100 GLU 3.52 3.11 1 101 ARG 3.75 2.55 1 102 ASN -0.64 -1.33 1 103 ASP 4.67 1.89 1 104 ASN -1.71 -0.14 1 105 THR 0.30 0.35 1 106 VAL -1.18 -0.73 1 107 ARG -4.32 -2.09 1 108 VAL -3.17 -1.76 1 109 SER -0.48 -0.01 1 110 GLU 3.70 3.30 1 111 THR 5.88 3.58 1 113 GLN 4.05 3.49 1 114 ARG 2.74 2.34 1 115 PHE 4.86 2.02 1 116 ALA -0.92 0.31 1 117 TRP -1.12 -0.10 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr12032_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.37 _LACS_plot.Line_1_terminator_val_y_1 5.97 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.66 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 1.12 _LACS_plot.Line_2_terminator_val_x_2 7.09 _LACS_plot.Line_2_terminator_val_y_2 -1.89 _LACS_plot.Y_axis_chem_shift_offset -0.14 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 62 ARG -6.86 6.55 0 37 ILE 0.47 -2.64 0 73 GLU -8.37 7.27 0 10 GLU 4.70 -1.07 1 11 GLU 2.32 1.07 1 12 MET 1.57 1.35 1 13 SER -0.80 1.02 1 14 ARG 1.04 0.48 1 15 ASP -0.74 0.99 1 16 TRP -2.57 1.02 1 17 PHE -3.92 2.40 1 18 MET -4.59 3.16 1 19 LEU 2.58 -0.25 1 20 MET -3.09 2.28 1 22 LYS -2.26 1.81 1 23 GLN -4.58 3.16 1 24 LYS -5.38 3.96 1 25 VAL -1.24 0.56 1 26 ALA -2.55 1.04 1 28 SER 0.11 -0.31 1 29 LEU -3.67 1.98 1 31 ILE -1.60 1.73 1 32 ARG -5.51 3.95 1 33 MET -3.59 3.33 1 34 ASP -2.58 1.24 1 35 GLN 1.38 0.08 1 36 ALA -1.07 1.46 1 38 MET -4.84 4.39 1 39 ASP 2.91 -1.30 1 40 LYS -3.95 1.42 1 41 ASN -0.63 0.41 1 42 ILE -4.69 2.34 1 43 ILE -6.63 3.23 1 44 LEU -0.65 -0.41 1 45 LYS -4.97 4.09 1 46 ALA -7.38 6.44 1 47 ASN -2.02 0.02 1 48 PHE -2.70 1.38 1 49 SER -4.67 2.57 1 50 VAL -5.17 3.18 1 51 ILE -3.14 2.02 1 52 PHE 6.34 -2.82 1 58 LEU -1.23 1.58 1 59 ILE 3.19 -1.10 1 60 LEU -3.70 4.15 1 61 LEU -5.03 4.23 1 63 ALA -4.69 1.36 1 64 PHE -5.12 3.47 1 65 THR -2.35 1.45 1 66 GLU 3.17 -0.34 1 67 GLU 1.18 -0.43 1 69 ALA -1.03 0.26 1 70 ILE 0.87 -0.74 1 71 VAL -3.27 1.06 1 74 ILE -2.49 2.15 1 75 SER -4.28 2.09 1 79 SER -0.46 1.60 1 83 HIS -1.09 1.61 1 84 THR -5.09 3.09 1 85 ASP 4.75 -1.44 1 86 GLU 2.82 -0.29 1 87 ASP 3.50 0.00 1 88 VAL 6.45 -1.48 1 89 LYS 5.38 -1.00 1 90 ASN 3.69 -0.67 1 91 ALA 2.59 0.36 1 92 VAL 6.87 -1.79 1 94 VAL 5.09 -1.25 1 95 LEU 2.97 0.09 1 96 ILE 7.10 -0.78 1 99 LEU 2.06 0.37 1 100 GLU 3.52 -0.41 1 101 ARG 3.75 -1.20 1 102 ASN -0.64 -0.69 1 103 ASP 4.67 -2.78 1 104 ASN -1.71 1.57 1 105 THR 0.30 0.05 1 106 VAL -1.18 0.45 1 107 ARG -4.32 2.23 1 108 VAL -3.17 1.41 1 109 SER -0.48 0.47 1 110 GLU 3.70 -0.40 1 111 THR 5.88 -2.30 1 113 GLN 4.05 -0.56 1 114 ARG 2.74 -0.40 1 115 PHE 4.86 -2.84 1 116 ALA -0.92 1.23 1 117 TRP -1.12 1.02 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr12032_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -8.37 _LACS_plot.Line_1_terminator_val_y_1 1.07 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.10 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.36 _LACS_plot.Line_2_terminator_val_x_2 7.09 _LACS_plot.Line_2_terminator_val_y_2 -0.72 _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 74 ILE -2.49 1.20 0 18 MET -4.59 -0.11 0 17 PHE -3.92 -0.21 0 10 GLU 4.70 -0.40 1 11 GLU 2.32 -0.62 1 12 MET 1.57 -0.44 1 13 SER -0.80 0.01 1 14 ARG 1.04 -0.23 1 15 ASP -0.74 0.25 1 16 TRP -2.57 0.12 1 19 LEU 2.58 -0.17 1 20 MET -3.09 0.16 1 22 LYS -2.26 0.24 1 23 GLN -4.58 1.24 1 24 LYS -5.38 0.37 1 25 VAL -1.24 0.72 1 26 ALA -2.55 0.34 1 28 SER 0.11 -0.06 1 29 LEU -3.67 0.46 1 31 ILE -1.60 0.67 1 32 ARG -5.51 1.21 1 33 MET -3.59 0.74 1 34 ASP -2.58 0.11 1 35 GLN 1.38 -0.21 1 36 ALA -1.07 -0.04 1 37 ILE 0.47 -0.05 1 38 MET -4.84 0.74 1 39 ASP 2.91 -0.14 1 40 LYS -3.95 0.54 1 41 ASN -0.63 0.57 1 42 ILE -4.69 0.79 1 43 ILE -6.63 1.04 1 44 LEU -0.65 0.67 1 45 LYS -4.97 0.61 1 46 ALA -7.38 1.19 1 47 ASN -2.02 1.07 1 48 PHE -2.70 0.71 1 49 SER -4.67 1.00 1 50 VAL -5.17 0.77 1 51 ILE -3.14 0.08 1 52 PHE 6.34 -0.37 1 58 LEU -1.23 0.11 1 59 ILE 3.19 0.01 1 60 LEU -3.70 0.18 1 61 LEU -5.03 1.17 1 62 ARG -6.86 0.52 1 63 ALA -4.69 0.72 1 64 PHE -5.12 1.05 1 65 THR -2.35 0.64 1 66 GLU 3.17 -0.26 1 67 GLU 1.18 0.04 1 69 ALA -1.03 0.16 1 70 ILE 0.87 -0.12 1 71 VAL -3.27 0.70 1 73 GLU -8.37 0.87 1 75 SER -4.28 0.43 1 79 SER -0.46 -0.35 1 83 HIS -1.09 0.28 1 84 THR -5.09 0.63 1 85 ASP 4.75 -0.44 1 86 GLU 2.82 -0.36 1 87 ASP 3.50 -0.20 1 88 VAL 6.45 -0.89 1 89 LYS 5.38 -0.59 1 91 ALA 2.59 -0.41 1 92 VAL 6.87 -0.90 1 94 VAL 5.09 -0.41 1 95 LEU 2.97 -0.31 1 96 ILE 7.10 -0.87 1 99 LEU 2.06 -0.13 1 100 GLU 3.52 0.05 1 101 ARG 3.75 -0.12 1 102 ASN -0.64 0.37 1 103 ASP 4.67 -0.28 1 104 ASN -1.71 0.60 1 105 THR 0.30 0.20 1 106 VAL -1.18 0.55 1 107 ARG -4.32 0.47 1 108 VAL -3.17 0.41 1 109 SER -0.48 -0.08 1 110 GLU 3.70 -0.32 1 111 THR 5.88 -0.27 1 113 GLN 4.05 -0.27 1 114 ARG 2.74 -0.35 1 115 PHE 4.86 -0.21 1 116 ALA -0.92 0.21 1 117 TRP -1.12 0.09 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr12032_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -8.37 _LACS_plot.Line_1_terminator_val_y_1 -3.51 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.46 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.04 _LACS_plot.Line_2_terminator_val_x_2 7.09 _LACS_plot.Line_2_terminator_val_y_2 1.94 _LACS_plot.Y_axis_chem_shift_offset 0.35 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 64 PHE -5.12 1.62 0 65 THR -2.35 3.37 0 10 GLU 4.70 2.12 1 11 GLU 2.32 1.55 1 12 MET 1.57 -0.44 1 13 SER -0.80 0.60 1 14 ARG 1.04 -0.05 1 15 ASP -0.74 -0.95 1 16 TRP -2.57 -3.28 1 17 PHE -3.92 -2.14 1 18 MET -4.59 -1.56 1 19 LEU 2.58 1.08 1 22 LYS -2.26 -2.34 1 23 GLN -4.58 -1.66 1 24 LYS -5.38 -2.67 1 25 VAL -1.24 -0.89 1 26 ALA -2.55 -0.93 1 28 SER 0.11 -1.76 1 29 LEU -3.67 -3.71 1 31 ILE -1.60 -1.35 1 32 ARG -5.51 -1.38 1 33 MET -3.59 -3.93 1 34 ASP -2.58 1.39 1 35 GLN 1.38 -0.99 1 36 ALA -1.07 -0.11 1 37 ILE 0.47 -1.28 1 38 MET -4.84 -1.03 1 39 ASP 2.91 -0.83 1 40 LYS -3.95 -0.64 1 41 ASN -0.63 -0.53 1 42 ILE -4.69 -2.16 1 43 ILE -6.63 -1.99 1 44 LEU -0.65 -3.06 1 45 LYS -4.97 -1.87 1 46 ALA -7.38 -4.45 1 47 ASN -2.02 -0.33 1 48 PHE -2.70 -3.88 1 49 SER -4.67 0.44 1 50 VAL -5.17 -1.52 1 51 ILE -3.14 -1.61 1 52 PHE 6.34 -0.35 1 58 LEU -1.23 -2.54 1 59 ILE 3.19 -0.76 1 60 LEU -3.70 -4.48 1 61 LEU -5.03 -1.68 1 62 ARG -6.86 -4.62 1 63 ALA -4.69 -2.89 1 66 GLU 3.17 0.98 1 67 GLU 1.18 0.40 1 69 ALA -1.03 -0.99 1 70 ILE 0.87 0.05 1 71 VAL -3.27 -2.05 1 73 GLU -8.37 -2.43 1 74 ILE -2.49 -2.28 1 79 SER -0.46 -0.28 1 83 HIS -1.09 0.68 1 84 THR -5.09 1.39 1 85 ASP 4.75 2.19 1 86 GLU 2.82 1.82 1 87 ASP 3.50 2.94 1 88 VAL 6.45 0.46 1 89 LYS 5.38 3.01 1 90 ASN 3.69 2.43 1 91 ALA 2.59 1.05 1 92 VAL 6.87 1.27 1 94 VAL 5.09 2.73 1 95 LEU 2.97 -0.12 1 96 ILE 7.10 1.63 1 99 LEU 2.06 3.94 1 101 ARG 3.75 0.27 1 102 ASN -0.64 -2.32 1 103 ASP 4.67 -1.09 1 104 ASN -1.71 0.12 1 105 THR 0.30 -1.02 1 106 VAL -1.18 -1.56 1 107 ARG -4.32 -1.54 1 108 VAL -3.17 -0.51 1 109 SER -0.48 -0.24 1 110 GLU 3.70 2.63 1 113 GLN 4.05 1.33 1 114 ARG 2.74 1.39 1 115 PHE 4.86 1.35 1 116 ALA -0.92 -2.36 1 117 TRP -1.12 -1.18 1 stop_ save_