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 bmr30000_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -5.67 _LACS_plot.Line_1_terminator_val_y_1 -2.86 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.69 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.71 _LACS_plot.Line_2_terminator_val_x_2 7.72 _LACS_plot.Line_2_terminator_val_y_2 5.81 _LACS_plot.Y_axis_chem_shift_offset 0.20 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 86 ASP -5.10 -0.25 0 10 ARG 2.32 1.94 1 11 ASP -2.40 -0.86 1 12 GLU 2.70 2.80 1 13 ARG 5.22 3.15 1 14 ILE 5.74 3.83 1 15 LEU 4.55 3.48 1 16 GLU 3.73 2.86 1 17 GLU 3.08 2.51 1 18 LEU 4.08 2.50 1 19 LEU 5.81 3.91 1 20 GLU 3.93 2.80 1 21 VAL 5.74 3.89 1 22 VAL 6.35 4.61 1 23 LEU 3.23 2.20 1 24 LYS 1.94 1.25 1 25 SER 3.09 2.73 1 26 ASP -1.90 0.11 1 28 ASN 0.08 0.58 1 29 VAL 0.76 -0.09 1 30 LYS 0.90 -0.24 1 31 THR -5.22 -2.96 1 32 VAL -3.85 -1.26 1 33 ARG -1.18 -2.07 1 34 THR 1.29 -0.98 1 35 ASP -0.81 -0.34 1 36 ASP -1.45 -0.78 1 37 LYS 4.14 3.30 1 38 GLU 3.62 1.80 1 39 LYS 3.53 1.51 1 40 VAL 7.72 5.39 1 41 LYS 5.87 4.33 1 42 GLU 3.02 2.71 1 43 GLU 3.42 1.87 1 44 ILE 6.56 5.33 1 45 GLU 3.88 2.75 1 46 LYS 4.34 3.75 1 47 ALA 4.22 2.61 1 48 ARG 5.62 3.52 1 49 LYS 3.77 2.94 1 50 GLN 0.23 0.37 1 52 ARG -3.39 -1.51 1 54 ILE -5.67 -2.84 1 55 VAL -1.59 -1.90 1 56 ILE -3.18 -2.00 1 57 PHE -1.73 -0.99 1 58 ILE -4.10 -1.37 1 59 ARG -1.94 -1.25 1 61 ALA -0.15 -0.01 1 62 THR -3.18 -1.63 1 63 GLU 4.44 3.46 1 64 GLU 4.13 2.95 1 65 VAL 5.36 4.04 1 66 VAL 6.85 5.16 1 67 ARG 5.26 4.19 1 68 ASP 2.66 3.28 1 69 ILE 5.81 4.59 1 70 VAL 6.59 4.96 1 71 GLU 3.07 2.35 1 72 TYR 4.27 3.70 1 73 ALA 3.51 2.57 1 74 GLN 4.39 3.22 1 75 LYS 4.57 3.04 1 76 GLU -0.67 -1.03 1 78 LEU -0.96 -1.28 1 79 ARG 0.16 -0.33 1 80 VAL -2.77 -1.62 1 81 LEU -3.96 -1.13 1 82 VAL -3.68 -1.98 1 83 ILE -3.78 -1.82 1 84 MET -4.49 -2.03 1 85 VAL -2.99 -2.98 1 87 GLN 1.26 1.23 1 88 ASP 0.31 -0.53 1 89 GLN 3.70 2.56 1 92 LEU 3.39 2.27 1 93 GLU 3.71 2.90 1 94 ARG 4.14 3.22 1 95 ILE 4.59 3.44 1 96 TYR 3.91 3.21 1 97 GLU 3.33 2.78 1 98 GLN 3.15 2.46 1 99 LEU 3.16 2.18 1 100 LYS 4.01 2.40 1 101 LYS 4.45 2.81 1 102 ASP 1.04 0.83 1 104 VAL 0.05 -0.51 1 105 ASP 0.56 -0.50 1 106 VAL -5.49 -3.96 1 107 ARG -2.74 -2.26 1 108 VAL -4.41 -3.25 1 109 THR -0.18 -1.20 1 110 ASP -2.62 -1.78 1 111 ASN -3.01 -0.81 1 112 GLU 3.86 3.03 1 113 ASP 4.39 3.53 1 114 GLU 3.43 2.30 1 115 ALA 3.69 3.17 1 116 LYS 5.25 4.54 1 117 LYS 4.20 3.58 1 118 ARG 2.51 1.59 1 119 LEU 3.65 2.80 1 120 LYS 4.76 4.16 1 121 GLU 3.02 2.79 1 122 LEU 3.79 2.79 1 123 LEU 3.44 2.15 1 124 GLU 3.24 2.55 1 125 LYS 2.96 1.79 1 126 VAL 3.82 2.72 1 127 LEU 2.29 0.96 1 128 GLU 1.67 1.31 1 129 HIS 0.36 1.79 1 130 HIS -0.29 1.15 1 131 HIS 0.54 2.26 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr30000_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -5.67 _LACS_plot.Line_1_terminator_val_y_1 2.81 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.31 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.29 _LACS_plot.Line_2_terminator_val_x_2 7.72 _LACS_plot.Line_2_terminator_val_y_2 -1.91 _LACS_plot.Y_axis_chem_shift_offset 0.20 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 86 ASP -5.10 4.85 0 10 ARG 2.32 -0.38 1 11 ASP -2.40 1.54 1 12 GLU 2.70 0.10 1 13 ARG 5.22 -2.07 1 14 ILE 5.74 -1.91 1 15 LEU 4.55 -1.07 1 16 GLU 3.73 -0.87 1 17 GLU 3.08 -0.57 1 18 LEU 4.08 -1.58 1 19 LEU 5.81 -1.90 1 20 GLU 3.93 -1.13 1 21 VAL 5.74 -1.85 1 22 VAL 6.35 -1.74 1 23 LEU 3.23 -1.03 1 24 LYS 1.94 -0.69 1 25 SER 3.09 -0.36 1 26 ASP -1.90 2.01 1 28 ASN 0.08 0.50 1 29 VAL 0.76 -0.85 1 30 LYS 0.90 -1.14 1 31 THR -5.22 2.26 1 32 VAL -3.85 2.59 1 33 ARG -1.18 -0.89 1 34 THR 1.29 -2.27 1 35 ASP -0.81 0.47 1 36 ASP -1.45 0.67 1 37 LYS 4.14 -0.84 1 38 GLU 3.62 -1.82 1 39 LYS 3.53 -2.02 1 40 VAL 7.72 -2.33 1 41 LYS 5.87 -1.54 1 42 GLU 3.02 -0.31 1 43 GLU 3.42 -1.55 1 44 ILE 6.56 -1.23 1 45 GLU 3.88 -1.13 1 46 LYS 4.34 -0.59 1 47 ALA 4.22 -1.61 1 48 ARG 5.62 -2.10 1 49 LYS 3.77 -0.83 1 50 GLN 0.23 0.14 1 52 ARG -3.39 1.88 1 54 ILE -5.67 2.83 1 55 VAL -1.59 -0.31 1 56 ILE -3.18 1.18 1 57 PHE -1.73 0.74 1 58 ILE -4.10 2.73 1 59 ARG -1.94 0.69 1 61 ALA -0.15 0.14 1 62 THR -3.18 1.55 1 63 GLU 4.44 -0.98 1 64 GLU 4.13 -1.18 1 65 VAL 5.36 -1.32 1 66 VAL 6.85 -1.69 1 67 ARG 5.26 -1.07 1 68 ASP 2.66 0.62 1 69 ILE 5.81 -1.22 1 70 VAL 6.59 -1.63 1 71 GLU 3.07 -0.72 1 72 TYR 4.27 -0.57 1 73 ALA 3.51 -0.94 1 74 GLN 4.39 -1.17 1 75 LYS 4.57 -1.53 1 76 GLU -0.67 -0.36 1 78 LEU -0.96 -0.32 1 79 ARG 0.16 -0.49 1 80 VAL -2.77 1.15 1 81 LEU -3.96 2.83 1 82 VAL -3.68 1.70 1 83 ILE -3.78 1.96 1 84 MET -4.49 2.46 1 85 VAL -2.99 0.01 1 87 GLN 1.26 -0.03 1 88 ASP 0.31 -0.84 1 89 GLN 3.70 -1.14 1 92 LEU 3.39 -1.12 1 93 GLU 3.71 -0.81 1 94 ARG 4.14 -0.92 1 95 ILE 4.59 -1.15 1 96 TYR 3.91 -0.70 1 97 GLU 3.33 -0.55 1 98 GLN 3.15 -0.69 1 99 LEU 3.16 -0.98 1 100 LYS 4.01 -1.61 1 101 LYS 4.45 -1.64 1 102 ASP 1.04 -0.21 1 104 VAL 0.05 -0.56 1 105 ASP 0.56 -1.06 1 106 VAL -5.49 1.53 1 107 ARG -2.74 0.48 1 108 VAL -4.41 1.16 1 109 THR -0.18 -1.02 1 110 ASP -2.62 0.84 1 111 ASN -3.01 2.20 1 112 GLU 3.86 -0.83 1 113 ASP 4.39 -0.86 1 114 GLU 3.43 -1.13 1 115 ALA 3.69 -0.52 1 116 LYS 5.25 -0.71 1 117 LYS 4.20 -0.62 1 118 ARG 2.51 -0.92 1 119 LEU 3.65 -0.85 1 120 LYS 4.76 -0.60 1 121 GLU 3.02 -0.23 1 122 LEU 3.79 -1.00 1 123 LEU 3.44 -1.29 1 124 GLU 3.24 -0.69 1 125 LYS 2.96 -1.17 1 126 VAL 3.82 -1.10 1 127 LEU 2.29 -1.33 1 128 GLU 1.67 -0.36 1 129 HIS 0.36 1.43 1 130 HIS -0.29 1.44 1 131 HIS 0.54 1.72 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr30000_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -5.67 _LACS_plot.Line_1_terminator_val_y_1 0.84 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.13 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.37 _LACS_plot.Line_2_terminator_val_x_2 7.72 _LACS_plot.Line_2_terminator_val_y_2 -0.84 _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 33 ARG -1.18 1.13 0 86 ASP -5.10 0.07 0 10 ARG 2.32 -0.03 1 11 ASP -2.40 0.12 1 12 GLU 2.70 -0.54 1 13 ARG 5.22 -0.24 1 14 ILE 5.74 -0.62 1 15 LEU 4.55 -0.40 1 16 GLU 3.73 -0.63 1 17 GLU 3.08 -0.31 1 18 LEU 4.08 -0.21 1 19 LEU 5.81 -0.67 1 20 GLU 3.93 -0.44 1 21 VAL 5.74 -0.52 1 22 VAL 6.35 -0.64 1 23 LEU 3.23 -0.27 1 24 LYS 1.94 -0.19 1 25 SER 3.09 -0.14 1 26 ASP -1.90 -0.09 1 28 ASN 0.08 -0.02 1 29 VAL 0.76 -0.27 1 30 LYS 0.90 0.06 1 31 THR -5.22 1.40 1 32 VAL -3.85 0.27 1 34 THR 1.29 0.18 1 35 ASP -0.81 0.46 1 36 ASP -1.45 0.05 1 37 LYS 4.14 -0.58 1 38 GLU 3.62 -0.34 1 39 LYS 3.53 -0.14 1 40 VAL 7.72 -0.93 1 41 LYS 5.87 -0.81 1 42 GLU 3.02 -0.30 1 43 GLU 3.42 -0.17 1 44 ILE 6.56 -0.58 1 45 GLU 3.88 -0.28 1 46 LYS 4.34 -0.36 1 47 ALA 4.22 -0.25 1 48 ARG 5.62 -0.25 1 49 LYS 3.77 -0.26 1 50 GLN 0.23 -0.01 1 52 ARG -3.39 0.22 1 54 ILE -5.67 0.98 1 55 VAL -1.59 0.83 1 56 ILE -3.18 0.55 1 57 PHE -1.73 0.59 1 58 ILE -4.10 0.45 1 59 ARG -1.94 0.91 1 61 ALA -0.15 -0.03 1 62 THR -3.18 0.09 1 63 GLU 4.44 -0.50 1 64 GLU 4.13 -0.39 1 65 VAL 5.36 -0.43 1 66 VAL 6.85 -0.80 1 67 ARG 5.26 -0.60 1 68 ASP 2.66 -0.26 1 69 ILE 5.81 -0.63 1 70 VAL 6.59 -0.74 1 71 GLU 3.07 -0.30 1 72 TYR 4.27 -0.43 1 73 ALA 3.51 -0.63 1 74 GLN 4.39 -0.16 1 75 LYS 4.57 -0.28 1 76 GLU -0.67 -0.21 1 78 LEU -0.96 0.05 1 79 ARG 0.16 0.09 1 80 VAL -2.77 1.06 1 81 LEU -3.96 0.75 1 82 VAL -3.68 1.03 1 83 ILE -3.78 0.91 1 84 MET -4.49 0.97 1 85 VAL -2.99 1.18 1 87 GLN 1.26 0.05 1 88 ASP 0.31 0.11 1 89 GLN 3.70 -0.40 1 92 LEU 3.39 -0.27 1 93 GLU 3.71 -0.35 1 94 ARG 4.14 -0.21 1 95 ILE 4.59 -0.43 1 96 TYR 3.91 -0.50 1 97 GLU 3.33 -0.55 1 98 GLN 3.15 -0.38 1 99 LEU 3.16 -0.20 1 100 LYS 4.01 -0.17 1 101 LYS 4.45 -0.23 1 102 ASP 1.04 0.07 1 104 VAL 0.05 -0.16 1 105 ASP 0.56 -0.03 1 106 VAL -5.49 1.10 1 107 ARG -2.74 0.54 1 108 VAL -4.41 1.24 1 109 THR -0.18 0.37 1 110 ASP -2.62 0.40 1 111 ASN -3.01 0.17 1 112 GLU 3.86 -0.58 1 113 ASP 4.39 -0.23 1 114 GLU 3.43 -0.27 1 115 ALA 3.69 -0.53 1 116 LYS 5.25 -0.60 1 117 LYS 4.20 -0.38 1 118 ARG 2.51 -0.18 1 119 LEU 3.65 -0.33 1 120 LYS 4.76 -0.52 1 121 GLU 3.02 -0.28 1 122 LEU 3.79 -0.24 1 123 LEU 3.44 -0.41 1 124 GLU 3.24 -0.34 1 125 LYS 2.96 -0.06 1 126 VAL 3.82 -0.24 1 127 LEU 2.29 -0.15 1 128 GLU 1.67 -0.25 1 129 HIS 0.36 -0.22 1 130 HIS -0.29 -0.16 1 131 HIS 0.54 -0.32 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr30000_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -5.67 _LACS_plot.Line_1_terminator_val_y_1 -3.05 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.48 _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 7.72 _LACS_plot.Line_2_terminator_val_y_2 2.76 _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 34 THR 1.29 -4.96 0 10 ARG 2.32 -0.36 1 11 ASP -2.40 -0.12 1 12 GLU 2.70 0.71 1 13 ARG 5.22 2.73 1 14 ILE 5.74 1.23 1 15 LEU 4.55 0.69 1 16 GLU 3.73 0.50 1 17 GLU 3.08 3.37 1 18 LEU 4.08 0.25 1 19 LEU 5.81 0.65 1 20 GLU 3.93 1.80 1 21 VAL 5.74 2.39 1 22 VAL 6.35 0.79 1 23 LEU 3.23 1.64 1 24 LYS 1.94 1.40 1 25 SER 3.09 0.20 1 28 ASN 0.08 0.39 1 29 VAL 0.76 -1.84 1 30 LYS 0.90 -1.87 1 31 THR -5.22 -0.10 1 32 VAL -3.85 -3.62 1 33 ARG -1.18 -2.38 1 35 ASP -0.81 -1.00 1 36 ASP -1.45 -0.07 1 37 LYS 4.14 0.17 1 38 GLU 3.62 2.93 1 39 LYS 3.53 -2.04 1 40 VAL 7.72 1.24 1 41 LYS 5.87 1.03 1 42 GLU 3.02 2.98 1 43 GLU 3.42 3.17 1 44 ILE 6.56 0.18 1 45 GLU 3.88 2.09 1 46 LYS 4.34 2.19 1 47 ALA 4.22 2.08 1 48 ARG 5.62 3.89 1 49 LYS 3.77 1.65 1 50 GLN 0.23 0.39 1 54 ILE -5.67 -4.84 1 55 VAL -1.59 -2.58 1 56 ILE -3.18 -3.15 1 57 PHE -1.73 -1.37 1 58 ILE -4.10 -3.71 1 59 ARG -1.94 1.42 1 61 ALA -0.15 -1.45 1 62 THR -3.18 0.04 1 63 GLU 4.44 0.81 1 64 GLU 4.13 1.71 1 65 VAL 5.36 0.94 1 66 VAL 6.85 0.91 1 67 ARG 5.26 1.26 1 68 ASP 2.66 2.44 1 69 ILE 5.81 0.45 1 70 VAL 6.59 0.98 1 71 GLU 3.07 2.27 1 72 TYR 4.27 0.85 1 73 ALA 3.51 1.22 1 74 GLN 4.39 4.90 1 75 LYS 4.57 1.89 1 76 GLU -0.67 -0.72 1 78 LEU -0.96 -1.54 1 79 ARG 0.16 -1.39 1 80 VAL -2.77 -2.03 1 81 LEU -3.96 -3.00 1 82 VAL -3.68 -1.65 1 83 ILE -3.78 -3.28 1 84 MET -4.49 -2.56 1 85 VAL -2.99 -1.52 1 86 ASP -5.10 -2.49 1 87 GLN 1.26 -0.01 1 88 ASP 0.31 -1.19 1 89 GLN 3.70 1.25 1 93 GLU 3.71 1.69 1 94 ARG 4.14 3.12 1 95 ILE 4.59 0.92 1 96 TYR 3.91 -0.04 1 98 GLN 3.15 1.12 1 99 LEU 3.16 0.96 1 100 LYS 4.01 4.03 1 101 LYS 4.45 0.81 1 102 ASP 1.04 0.11 1 104 VAL 0.05 -1.56 1 105 ASP 0.56 -3.16 1 106 VAL -5.49 -2.76 1 107 ARG -2.74 1.20 1 108 VAL -4.41 -1.52 1 109 THR -0.18 -4.37 1 110 ASP -2.62 -0.22 1 112 GLU 3.86 0.30 1 113 ASP 4.39 2.81 1 114 GLU 3.43 1.93 1 115 ALA 3.69 0.76 1 116 LYS 5.25 1.67 1 117 LYS 4.20 2.58 1 118 ARG 2.51 2.65 1 119 LEU 3.65 -0.26 1 120 LYS 4.76 1.69 1 121 GLU 3.02 2.63 1 122 LEU 3.79 1.55 1 123 LEU 3.44 0.82 1 124 GLU 3.24 2.09 1 125 LYS 2.96 2.07 1 126 VAL 3.82 1.11 1 127 LEU 2.29 -0.10 1 128 GLU 1.67 0.33 1 130 HIS -0.29 -0.20 1 stop_ save_