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 bmr30308_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.54 _LACS_plot.Line_1_terminator_val_y_1 -3.76 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.98 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.46 _LACS_plot.Line_2_terminator_val_x_2 6.34 _LACS_plot.Line_2_terminator_val_y_2 4.98 _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 71 THR -7.54 -3.67 0 10 GLU 2.04 1.58 1 11 GLN -0.02 -0.14 1 12 LEU -0.92 -0.15 1 13 THR -2.36 -1.19 1 14 GLU 3.74 3.10 1 15 GLU 4.37 3.68 1 16 GLN 2.59 2.98 1 17 LYS 6.28 5.39 1 18 ASN 4.22 3.04 1 19 GLU 3.55 3.01 1 20 PHE 3.83 2.18 1 21 LYS 3.88 2.38 1 22 ALA 3.92 2.44 1 23 ALA 2.80 2.58 1 24 PHE 4.53 4.65 1 25 ASP 3.85 2.67 1 26 ILE 3.83 2.61 1 27 PHE 1.93 2.53 1 28 VAL 0.44 -1.00 1 29 LEU 3.22 2.12 1 31 ALA -1.12 -0.47 1 32 GLU 2.47 2.29 1 33 ASP -1.32 -1.17 1 35 SER -3.31 -1.11 1 36 ILE 0.82 1.61 1 37 SER -4.71 -1.40 1 38 THR 6.34 4.64 1 39 LYS 4.30 3.33 1 40 GLU 4.23 4.40 1 41 LEU 2.77 2.72 1 43 LYS 4.54 3.65 1 44 VAL 5.29 4.05 1 45 MET 4.70 2.80 1 46 ARG 4.29 3.27 1 47 MET 3.91 3.57 1 48 LEU 0.14 -0.64 1 50 GLN -3.58 -1.86 1 51 ASN -0.67 -0.26 1 53 THR 1.81 0.25 1 55 GLU 4.90 3.75 1 56 GLU 2.59 2.67 1 57 LEU 2.36 2.55 1 58 GLN 3.54 2.51 1 59 GLU 3.08 2.89 1 60 MET 3.15 4.10 1 61 ILE 4.47 2.46 1 62 ASP 3.99 3.24 1 63 GLU 1.63 2.10 1 64 VAL -1.19 -1.32 1 65 ASP -0.42 -0.77 1 66 GLU 0.60 1.67 1 67 ASP -0.89 -1.69 1 69 SER 0.97 1.82 1 72 VAL -1.61 -0.63 1 73 ASP -2.48 -1.93 1 74 PHE 4.82 3.59 1 75 ASP 4.44 3.54 1 76 GLU 1.56 1.64 1 77 PHE 2.97 3.20 1 78 LEU 3.72 2.85 1 79 VAL 6.31 4.57 1 80 MET 4.08 3.61 1 81 MET 2.27 1.09 1 82 VAL 5.51 3.92 1 83 ARG 4.15 3.33 1 84 SER 2.69 2.24 1 85 MET 1.11 2.07 1 86 LYS 0.48 0.32 1 87 ASP 0.51 0.60 1 88 ASP 0.19 0.28 1 89 SER 1.53 1.23 1 90 LYS 1.19 0.58 1 92 LYS 0.79 0.46 1 93 PHE -0.38 -0.50 1 94 LYS 0.33 0.38 1 95 ARG -0.02 0.00 1 97 THR 0.37 0.24 1 98 LEU 0.42 0.24 1 99 ARG 0.44 0.09 1 100 ARG 0.76 0.60 1 101 VAL 0.52 -0.02 1 102 ARG -0.41 -0.26 1 103 ILE -2.02 -0.90 1 104 SER -1.95 -1.42 1 105 ALA 3.76 3.20 1 106 ASP 3.43 3.08 1 107 ALA 2.98 2.27 1 108 MET 4.23 4.07 1 109 MET 3.74 2.29 1 110 GLN 4.14 3.06 1 111 ALA 2.84 2.23 1 112 LEU 1.72 2.02 1 113 LEU 0.45 0.54 1 115 ALA 1.11 0.71 1 116 ARG 0.94 0.59 1 117 ALA 0.30 0.16 1 118 LYS 0.54 0.37 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr30308_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.54 _LACS_plot.Line_1_terminator_val_y_1 3.78 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.02 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.54 _LACS_plot.Line_2_terminator_val_x_2 6.34 _LACS_plot.Line_2_terminator_val_y_2 -1.36 _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 71 THR -7.54 3.87 0 10 GLU 2.04 -0.46 1 11 GLN -0.02 -0.12 1 12 LEU -0.92 0.77 1 13 THR -2.36 1.17 1 14 GLU 3.74 -0.64 1 15 GLU 4.37 -0.69 1 16 GLN 2.59 0.39 1 17 LYS 6.28 -0.89 1 18 ASN 4.22 -1.18 1 19 GLU 3.55 -0.54 1 20 PHE 3.83 -1.65 1 21 LYS 3.88 -1.50 1 22 ALA 3.92 -1.48 1 23 ALA 2.80 -0.22 1 24 PHE 4.53 0.12 1 25 ASP 3.85 -1.18 1 26 ILE 3.83 -1.22 1 27 PHE 1.93 0.60 1 28 VAL 0.44 -1.44 1 29 LEU 3.22 -1.10 1 31 ALA -1.12 0.65 1 32 GLU 2.47 -0.18 1 33 ASP -1.32 0.15 1 35 SER -3.31 2.20 1 36 ILE 0.82 0.79 1 37 SER -4.71 3.31 1 38 THR 6.34 -1.70 1 39 LYS 4.30 -0.97 1 40 GLU 4.23 0.17 1 41 LEU 2.77 -0.05 1 43 LYS 4.54 -0.89 1 44 VAL 5.29 -1.24 1 45 MET 4.70 -1.90 1 46 ARG 4.29 -1.02 1 47 MET 3.91 -0.34 1 48 LEU 0.14 -0.78 1 50 GLN -3.58 1.72 1 51 ASN -0.67 0.41 1 53 THR 1.81 -1.56 1 55 GLU 4.90 -1.15 1 56 GLU 2.59 0.08 1 57 LEU 2.36 0.19 1 58 GLN 3.54 -1.03 1 59 GLU 3.08 -0.19 1 60 MET 3.15 0.95 1 61 ILE 4.47 -2.01 1 62 ASP 3.99 -0.75 1 63 GLU 1.63 0.47 1 64 VAL -1.19 -0.13 1 65 ASP -0.42 -0.35 1 66 GLU 0.60 1.07 1 67 ASP -0.89 -0.80 1 69 SER 0.97 0.85 1 72 VAL -1.61 0.98 1 73 ASP -2.48 0.55 1 74 PHE 4.82 -1.23 1 75 ASP 4.44 -0.90 1 76 GLU 1.56 0.08 1 77 PHE 2.97 0.23 1 78 LEU 3.72 -0.87 1 79 VAL 6.31 -1.74 1 80 MET 4.08 -0.47 1 81 MET 2.27 -1.18 1 82 VAL 5.51 -1.59 1 83 ARG 4.15 -0.82 1 84 SER 2.69 -0.45 1 85 MET 1.11 0.96 1 86 LYS 0.48 -0.16 1 87 ASP 0.51 0.09 1 88 ASP 0.19 0.09 1 89 SER 1.53 -0.30 1 90 LYS 1.19 -0.61 1 92 LYS 0.79 -0.33 1 93 PHE -0.38 -0.12 1 94 LYS 0.33 0.05 1 95 ARG -0.02 0.02 1 97 THR 0.37 -0.13 1 98 LEU 0.42 -0.18 1 99 ARG 0.44 -0.35 1 100 ARG 0.76 -0.16 1 101 VAL 0.52 -0.54 1 102 ARG -0.41 0.15 1 103 ILE -2.02 1.12 1 104 SER -1.95 0.53 1 105 ALA 3.76 -0.56 1 106 ASP 3.43 -0.35 1 107 ALA 2.98 -0.71 1 108 MET 4.23 -0.16 1 109 MET 3.74 -1.45 1 110 GLN 4.14 -1.08 1 111 ALA 2.84 -0.61 1 112 LEU 1.72 0.30 1 113 LEU 0.45 0.09 1 115 ALA 1.11 -0.40 1 116 ARG 0.94 -0.35 1 117 ALA 0.30 -0.14 1 118 LYS 0.54 -0.17 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr30308_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.54 _LACS_plot.Line_1_terminator_val_y_1 0.64 _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 0.18 _LACS_plot.Line_2_terminator_val_x_2 6.34 _LACS_plot.Line_2_terminator_val_y_2 -0.57 _LACS_plot.Y_axis_chem_shift_offset 0.00 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 74 PHE 4.82 -1.27 0 72 VAL -1.61 0.94 0 71 THR -7.54 0.60 0 10 GLU 2.04 -0.23 1 11 GLN -0.02 -0.04 1 12 LEU -0.92 0.19 1 13 THR -2.36 0.09 1 14 GLU 3.74 -0.38 1 15 GLU 4.37 -0.31 1 16 GLN 2.59 -0.46 1 17 LYS 6.28 -0.32 1 18 ASN 4.22 -0.19 1 19 GLU 3.55 -0.18 1 20 PHE 3.83 0.28 1 21 LYS 3.88 -0.30 1 22 ALA 3.92 -0.11 1 23 ALA 2.80 -0.20 1 24 PHE 4.53 -1.17 1 25 ASP 3.85 -0.38 1 26 ILE 3.83 -0.39 1 27 PHE 1.93 -0.63 1 28 VAL 0.44 -0.08 1 29 LEU 3.22 -0.25 1 31 ALA -1.12 0.13 1 32 GLU 2.47 -0.26 1 33 ASP -1.32 0.11 1 35 SER -3.31 0.48 1 36 ILE 0.82 -0.37 1 37 SER -4.71 0.68 1 38 THR 6.34 -0.62 1 39 LYS 4.30 -0.26 1 40 GLU 4.23 -0.18 1 41 LEU 2.77 -0.11 1 43 LYS 4.54 -0.32 1 44 VAL 5.29 -0.47 1 45 MET 4.70 -0.31 1 46 ARG 4.29 0.29 1 47 MET 3.91 -0.29 1 48 LEU 0.14 0.05 1 50 GLN -3.58 0.16 1 51 ASN -0.67 0.11 1 53 THR 1.81 0.01 1 55 GLU 4.90 -0.32 1 56 GLU 2.59 -0.39 1 57 LEU 2.36 -0.31 1 58 GLN 3.54 -0.63 1 59 GLU 3.08 -0.29 1 60 MET 3.15 -0.55 1 61 ILE 4.47 -0.60 1 62 ASP 3.99 -0.32 1 63 GLU 1.63 -0.31 1 64 VAL -1.19 0.28 1 65 ASP -0.42 -0.06 1 66 GLU 0.60 -0.15 1 67 ASP -0.89 0.08 1 69 SER 0.97 -0.24 1 73 ASP -2.48 0.46 1 75 ASP 4.44 -0.68 1 76 GLU 1.56 -0.37 1 77 PHE 2.97 -0.80 1 78 LEU 3.72 -1.06 1 79 VAL 6.31 -0.89 1 80 MET 4.08 -0.85 1 81 MET 2.27 -0.46 1 82 VAL 5.51 -0.27 1 83 ARG 4.15 -0.51 1 84 SER 2.69 -0.11 1 85 MET 1.11 -0.13 1 86 LYS 0.48 0.02 1 87 ASP 0.51 0.00 1 88 ASP 0.19 0.03 1 89 SER 1.53 -0.11 1 90 LYS 1.19 0.01 1 92 LYS 0.79 -0.15 1 93 PHE -0.38 0.04 1 94 LYS 0.33 -0.01 1 95 ARG -0.02 -0.05 1 97 THR 0.37 -0.07 1 98 LEU 0.42 0.00 1 99 ARG 0.44 -0.11 1 100 ARG 0.76 -0.09 1 101 VAL 0.52 -0.04 1 102 ARG -0.41 0.05 1 103 ILE -2.02 0.09 1 104 SER -1.95 0.20 1 105 ALA 3.76 -0.32 1 106 ASP 3.43 -0.30 1 107 ALA 2.98 -0.19 1 108 MET 4.23 -0.49 1 109 MET 3.74 -0.11 1 110 GLN 4.14 -0.34 1 111 ALA 2.84 -0.16 1 112 LEU 1.72 -0.16 1 113 LEU 0.45 -0.01 1 115 ALA 1.11 -0.08 1 116 ARG 0.94 -0.06 1 117 ALA 0.30 -0.06 1 118 LYS 0.54 -0.08 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr30308_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.54 _LACS_plot.Line_1_terminator_val_y_1 -2.45 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.25 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.33 _LACS_plot.Line_2_terminator_val_x_2 6.34 _LACS_plot.Line_2_terminator_val_y_2 2.85 _LACS_plot.Y_axis_chem_shift_offset -0.45 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 37 SER -4.71 1.27 0 71 THR -7.54 -1.17 0 10 GLU 2.04 0.76 1 11 GLN -0.02 0.71 1 12 LEU -0.92 0.43 1 13 THR -2.36 0.97 1 14 GLU 3.74 2.17 1 15 GLU 4.37 2.90 1 16 GLN 2.59 2.63 1 17 LYS 6.28 2.17 1 18 ASN 4.22 3.45 1 19 GLU 3.55 2.31 1 20 PHE 3.83 2.97 1 21 LYS 3.88 0.41 1 22 ALA 3.92 2.97 1 23 ALA 2.80 0.98 1 24 PHE 4.53 0.57 1 25 ASP 3.85 2.84 1 26 ILE 3.83 2.12 1 27 PHE 1.93 2.99 1 28 VAL 0.44 -0.04 1 29 LEU 3.22 1.03 1 31 ALA -1.12 1.46 1 32 GLU 2.47 0.74 1 33 ASP -1.32 1.53 1 35 SER -3.31 -2.73 1 36 ILE 0.82 -1.40 1 38 THR 6.34 1.96 1 39 LYS 4.30 2.31 1 40 GLU 4.23 2.22 1 41 LEU 2.77 0.90 1 43 LYS 4.54 2.86 1 44 VAL 5.29 1.50 1 45 MET 4.70 2.72 1 46 ARG 4.29 5.14 1 47 MET 3.91 1.43 1 48 LEU 0.14 -0.33 1 50 GLN -3.58 -1.88 1 51 ASN -0.67 0.52 1 53 THR 1.81 0.39 1 55 GLU 4.90 2.81 1 56 GLU 2.59 2.92 1 57 LEU 2.36 0.83 1 58 GLN 3.54 1.73 1 59 GLU 3.08 2.41 1 60 MET 3.15 2.49 1 61 ILE 4.47 1.42 1 62 ASP 3.99 2.66 1 63 GLU 1.63 0.65 1 64 VAL -1.19 -0.75 1 65 ASP -0.42 0.08 1 66 GLU 0.60 0.64 1 67 ASP -0.89 1.44 1 69 SER 0.97 1.29 1 72 VAL -1.61 -1.24 1 73 ASP -2.48 -0.48 1 74 PHE 4.82 0.43 1 75 ASP 4.44 2.96 1 76 GLU 1.56 2.62 1 77 PHE 2.97 0.72 1 78 LEU 3.72 0.97 1 79 VAL 6.31 1.13 1 80 MET 4.08 2.36 1 81 MET 2.27 3.05 1 82 VAL 5.51 2.63 1 83 ARG 4.15 2.12 1 84 SER 2.69 1.06 1 85 MET 1.11 0.70 1 86 LYS 0.48 -0.04 1 87 ASP 0.51 0.11 1 88 ASP 0.19 0.81 1 89 SER 1.53 0.62 1 90 LYS 1.19 0.65 1 92 LYS 0.79 -0.18 1 93 PHE -0.38 -0.16 1 94 LYS 0.33 -0.25 1 95 ARG -0.02 0.17 1 97 THR 0.37 0.05 1 98 LEU 0.42 -0.36 1 100 ARG 0.76 0.11 1 101 VAL 0.52 -0.77 1 104 SER -1.95 0.41 1 105 ALA 3.76 1.40 1 106 ASP 3.43 2.03 1 107 ALA 2.98 3.20 1 108 MET 4.23 1.18 1 109 MET 3.74 2.64 1 110 GLN 4.14 2.96 1 111 ALA 2.84 1.91 1 112 LEU 1.72 0.68 1 113 LEU 0.45 1.71 1 115 ALA 1.11 0.63 1 116 ARG 0.94 0.36 1 117 ALA 0.30 0.04 1 118 LYS 0.54 0.72 1 stop_ save_