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 bmr27550_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.89 _LACS_plot.Line_1_terminator_val_y_1 -3.17 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.04 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -2.06 _LACS_plot.Line_2_terminator_val_x_2 9.59 _LACS_plot.Line_2_terminator_val_y_2 7.09 _LACS_plot.Y_axis_chem_shift_offset 0.54 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 71 ILE 9.60 4.50 0 10 THR 0.03 -0.45 1 11 GLN 0.29 -0.20 1 12 LYS -0.22 -0.69 1 13 VAL -0.05 -0.33 1 14 VAL -0.43 -0.79 1 15 LYS -0.24 -0.70 1 16 SER -0.35 -0.68 1 18 LYS -0.77 -0.70 1 19 ASN -0.20 -0.27 1 20 THR 0.03 -0.43 1 21 ALA -3.10 -1.79 1 22 ASN 0.69 -0.26 1 23 LEU 0.05 -1.20 1 24 SER 1.79 0.92 1 25 LEU 0.05 -0.14 1 26 ILE -1.57 -1.88 1 27 THR -3.17 -0.99 1 28 LYS -2.89 -1.76 1 29 LEU -4.20 -1.73 1 30 SER -3.01 -1.75 1 31 GLN 0.78 1.36 1 32 GLU -4.39 -2.70 1 33 ASP 1.25 -0.30 1 35 ALA -5.22 -1.25 1 36 ILE -5.28 -1.88 1 37 LEU -5.27 -2.81 1 38 PHE -2.70 -3.28 1 40 GLU -0.65 -0.06 1 41 ILE 4.80 0.24 1 42 ASP -4.07 -2.43 1 43 ARG 3.08 1.09 1 44 TYR -0.42 -2.34 1 45 SER 1.74 0.88 1 46 ASP 1.74 1.25 1 47 ASN 0.67 -0.26 1 48 LYS 4.02 3.02 1 49 GLN 4.54 2.99 1 50 ILE 3.75 1.31 1 51 LYS 4.55 3.55 1 52 ALA 3.29 1.94 1 53 LEU 3.78 3.05 1 54 THR 6.87 4.79 1 55 GLN 3.51 2.49 1 56 GLN -0.24 -1.26 1 57 ILE 3.22 2.90 1 58 THR -1.04 -0.99 1 59 LYS -1.86 0.35 1 61 THR -3.70 -2.59 1 62 VAL -1.65 -1.39 1 63 ASN 2.35 0.80 1 65 THR 1.69 1.14 1 66 VAL 3.20 1.80 1 67 TYR -3.68 -2.40 1 70 LEU 0.60 -1.20 1 72 SER -1.91 -1.21 1 73 ASP -0.93 -0.36 1 74 SER 0.12 -0.74 1 75 VAL -1.14 -2.98 1 76 LYS 1.88 0.89 1 77 ASP 3.40 1.30 1 78 THR -3.70 -0.99 1 79 ASN -0.91 -2.92 1 81 TRP -7.89 -3.60 1 82 VAL -5.91 -1.39 1 83 SER -2.48 -2.81 1 84 ASN -0.91 -1.33 1 86 THR 0.01 -0.99 1 88 LEU -2.09 -1.22 1 89 HIS -2.61 -1.63 1 90 LEU -4.12 -1.17 1 92 THR 2.14 -1.52 1 93 LYS 5.08 4.08 1 94 ALA -0.45 -0.20 1 95 PHE 1.07 0.45 1 96 LYS -5.03 -2.83 1 97 ASP 1.87 1.31 1 99 GLU 0.94 1.02 1 100 ASN -5.15 -1.32 1 101 THR -0.51 -0.46 1 102 ILE -3.17 -1.88 1 103 VAL -0.61 -1.39 1 104 ILE -2.10 -0.82 1 105 SER -1.94 -1.74 1 106 SER -2.47 -1.74 1 107 LYS 2.94 1.95 1 109 PHE -3.76 -1.15 1 110 GLU -0.65 -1.10 1 111 ASP 1.29 0.79 1 112 VAL -2.19 -1.39 1 113 THR 0.81 -0.21 1 114 ILE -3.69 -1.88 1 115 THR 0.03 -0.46 1 116 VAL -5.90 -4.58 1 117 THR -3.16 -2.58 1 118 LYS -4.48 -2.28 1 119 LYS -2.37 -0.70 1 120 ASP 3.38 1.30 1 122 GLN -3.44 -1.80 1 123 ILE -1.57 -1.88 1 124 HIS -4.28 -1.63 1 125 PHE 2.10 2.05 1 126 VAL 2.60 1.80 1 127 SER -1.94 -0.68 1 128 ALA -4.69 -1.79 1 129 LYS -5.56 -1.77 1 130 GLN -3.97 -1.27 1 131 LYS 1.99 1.41 1 132 GLN -0.78 1.39 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27550_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.89 _LACS_plot.Line_1_terminator_val_y_1 4.72 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.96 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.06 _LACS_plot.Line_2_terminator_val_x_2 9.59 _LACS_plot.Line_2_terminator_val_y_2 -2.50 _LACS_plot.Y_axis_chem_shift_offset 0.54 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 71 ILE 9.60 -5.10 0 10 THR 0.03 -0.48 1 11 GLN 0.29 -0.49 1 12 LYS -0.22 -0.47 1 13 VAL -0.05 -0.28 1 14 VAL -0.43 -0.36 1 15 LYS -0.24 -0.46 1 16 SER -0.35 -0.33 1 18 LYS -0.77 0.07 1 19 ASN -0.20 -0.07 1 20 THR 0.03 -0.46 1 21 ALA -3.10 1.31 1 22 ASN 0.69 -0.95 1 23 LEU 0.05 -1.25 1 24 SER 1.79 -0.87 1 25 LEU 0.05 -0.19 1 26 ILE -1.57 -0.31 1 27 THR -3.17 2.18 1 28 LYS -2.89 1.13 1 29 LEU -4.20 2.47 1 30 SER -3.01 1.26 1 31 GLN 0.78 0.58 1 32 GLU -4.39 1.69 1 33 ASP 1.25 -1.55 1 35 ALA -5.22 3.97 1 36 ILE -5.28 3.40 1 37 LEU -5.27 2.46 1 38 PHE -2.70 -0.58 1 40 GLU -0.65 0.59 1 41 ILE 4.80 -4.56 1 42 ASP -4.07 1.64 1 43 ARG 3.08 -1.99 1 44 TYR -0.42 -1.92 1 45 SER 1.74 -0.86 1 46 ASP 1.74 -0.49 1 47 ASN 0.67 -0.93 1 48 LYS 4.02 -1.00 1 49 GLN 4.54 -1.55 1 50 ILE 3.75 -2.44 1 51 LYS 4.55 -1.00 1 52 ALA 3.29 -1.35 1 53 LEU 3.78 -0.73 1 54 THR 6.87 -2.08 1 55 GLN 3.51 -1.02 1 56 GLN -0.24 -1.02 1 57 ILE 3.22 -0.32 1 58 THR -1.04 0.05 1 59 LYS -1.86 2.21 1 61 THR -3.70 1.11 1 62 VAL -1.65 0.26 1 63 ASN 2.35 -1.55 1 65 THR 1.69 -0.55 1 66 VAL 3.20 -1.40 1 67 TYR -3.68 1.28 1 70 LEU 0.60 -1.80 1 72 SER -1.91 0.70 1 73 ASP -0.93 0.57 1 74 SER 0.12 -0.86 1 75 VAL -1.14 -1.84 1 76 LYS 1.88 -0.99 1 77 ASP 3.40 -2.10 1 78 THR -3.70 2.71 1 79 ASN -0.91 -2.01 1 81 TRP -7.89 4.29 1 82 VAL -5.91 4.52 1 83 SER -2.48 -0.33 1 84 ASN -0.91 -0.42 1 86 THR 0.01 -1.00 1 88 LEU -2.09 0.87 1 89 HIS -2.61 0.98 1 90 LEU -4.12 2.95 1 92 THR 2.14 -3.66 1 93 LYS 5.08 -1.00 1 94 ALA -0.45 0.25 1 95 PHE 1.07 -0.62 1 96 LYS -5.03 2.20 1 97 ASP 1.87 -0.56 1 99 GLU 0.94 0.08 1 100 ASN -5.15 3.83 1 101 THR -0.51 0.05 1 102 ILE -3.17 1.29 1 103 VAL -0.61 -0.78 1 104 ILE -2.10 1.28 1 105 SER -1.94 0.20 1 106 SER -2.47 0.73 1 107 LYS 2.94 -0.99 1 109 PHE -3.76 2.61 1 110 GLU -0.65 -0.45 1 111 ASP 1.29 -0.50 1 112 VAL -2.19 0.80 1 113 THR 0.81 -1.02 1 114 ILE -3.69 1.81 1 115 THR 0.03 -0.49 1 116 VAL -5.90 1.32 1 117 THR -3.16 0.58 1 118 LYS -4.48 2.20 1 119 LYS -2.37 1.67 1 120 ASP 3.38 -2.08 1 122 GLN -3.44 1.64 1 123 ILE -1.57 -0.31 1 124 HIS -4.28 2.65 1 125 PHE 2.10 -0.05 1 126 VAL 2.60 -0.80 1 127 SER -1.94 1.26 1 128 ALA -4.69 2.90 1 129 LYS -5.56 3.79 1 130 GLN -3.97 2.70 1 131 LYS 1.99 -0.58 1 132 GLN -0.78 2.17 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27550_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.89 _LACS_plot.Line_1_terminator_val_y_1 0.99 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.18 _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 9.59 _LACS_plot.Line_2_terminator_val_y_2 -1.04 _LACS_plot.Y_axis_chem_shift_offset -0.06 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 71 ILE 9.60 -0.80 0 10 THR 0.03 -0.04 1 11 GLN 0.29 -0.01 1 12 LYS -0.22 -0.05 1 13 VAL -0.05 -0.04 1 14 VAL -0.43 -0.04 1 15 LYS -0.24 0.03 1 16 SER -0.35 -0.08 1 18 LYS -0.77 -0.02 1 19 ASN -0.20 0.06 1 20 THR 0.03 -0.02 1 21 ALA -3.10 0.20 1 22 ASN 0.69 0.03 1 23 LEU 0.05 0.10 1 25 LEU 0.05 -0.33 1 26 ILE -1.57 0.10 1 28 LYS -2.89 -0.02 1 29 LEU -4.20 0.63 1 30 SER -3.01 0.33 1 31 GLN 0.78 0.03 1 32 GLU -4.39 0.29 1 33 ASP 1.25 -0.09 1 35 ALA -5.22 1.00 1 36 ILE -5.28 0.65 1 37 LEU -5.27 0.65 1 38 PHE -2.70 0.46 1 40 GLU -0.65 -0.19 1 41 ILE 4.80 -0.56 1 42 ASP -4.07 0.16 1 43 ARG 3.08 -0.32 1 44 TYR -0.42 0.06 1 45 SER 1.74 -0.56 1 46 ASP 1.74 -0.15 1 47 ASN 0.67 -0.08 1 48 LYS 4.02 -0.44 1 49 GLN 4.54 -0.07 1 50 ILE 3.75 -0.60 1 51 LYS 4.55 -0.40 1 52 ALA 3.29 -0.27 1 53 LEU 3.78 -1.07 1 54 THR 6.87 -0.94 1 55 GLN 3.51 -0.40 1 56 GLN -0.24 0.20 1 57 ILE 3.22 -0.15 1 58 THR -1.04 0.25 1 59 LYS -1.86 0.30 1 61 THR -3.70 0.83 1 62 VAL -1.65 0.25 1 63 ASN 2.35 -0.35 1 65 THR 1.69 -0.04 1 66 VAL 3.20 -0.05 1 67 TYR -3.68 0.42 1 70 LEU 0.60 -0.10 1 72 SER -1.91 0.11 1 73 ASP -0.93 -0.08 1 74 SER 0.12 -0.28 1 75 VAL -1.14 0.29 1 76 LYS 1.88 -0.41 1 77 ASP 3.40 -0.29 1 78 THR -3.70 0.32 1 79 ASN -0.91 -0.72 1 81 TRP -7.89 1.52 1 82 VAL -5.91 0.38 1 83 SER -2.48 1.10 1 84 ASN -0.91 0.36 1 86 THR 0.01 0.15 1 88 LEU -2.09 0.96 1 89 HIS -2.61 0.79 1 90 LEU -4.12 1.19 1 92 THR 2.14 0.22 1 93 LYS 5.08 -0.36 1 94 ALA -0.45 0.37 1 95 PHE 1.07 -0.35 1 96 LYS -5.03 0.50 1 97 ASP 1.87 -0.13 1 99 GLU 0.94 -0.03 1 100 ASN -5.15 0.59 1 101 THR -0.51 0.37 1 102 ILE -3.17 0.63 1 103 VAL -0.61 0.93 1 104 ILE -2.10 0.22 1 105 SER -1.94 0.66 1 106 SER -2.47 0.50 1 107 LYS 2.94 -0.22 1 109 PHE -3.76 0.25 1 110 GLU -0.65 0.02 1 111 ASP 1.29 0.03 1 112 VAL -2.19 0.30 1 113 THR 0.81 0.73 1 114 ILE -3.69 0.71 1 115 THR 0.03 0.84 1 116 VAL -5.90 1.01 1 117 THR -3.16 0.95 1 118 LYS -4.48 1.07 1 119 LYS -2.37 0.19 1 120 ASP 3.38 -0.31 1 122 GLN -3.44 0.44 1 123 ILE -1.57 0.85 1 124 HIS -4.28 0.29 1 125 PHE 2.10 -0.55 1 126 VAL 2.60 -0.08 1 127 SER -1.94 -0.04 1 128 ALA -4.69 0.86 1 129 LYS -5.56 0.61 1 130 GLN -3.97 0.40 1 131 LYS 1.99 -0.10 1 132 GLN -0.78 -0.25 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27550_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.89 _LACS_plot.Line_1_terminator_val_y_1 -2.55 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.23 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.90 _LACS_plot.Line_2_terminator_val_x_2 9.59 _LACS_plot.Line_2_terminator_val_y_2 2.45 _LACS_plot.Y_axis_chem_shift_offset 0.33 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 132 GLN -0.78 4.31 0 41 ILE 4.80 -3.84 0 71 ILE 9.60 -1.59 0 10 THR 0.03 0.03 1 11 GLN 0.29 -0.28 1 12 LYS -0.22 -0.31 1 13 VAL -0.05 -0.36 1 14 VAL -0.43 -0.36 1 15 LYS -0.24 -0.25 1 16 SER -0.35 0.37 1 18 LYS -0.77 -0.39 1 19 ASN -0.20 0.00 1 20 THR 0.03 -1.16 1 21 ALA -3.10 -1.37 1 22 ASN 0.69 0.07 1 23 LEU 0.05 -0.61 1 24 SER 1.79 -0.53 1 25 LEU 0.05 -2.44 1 26 ILE -1.57 -1.42 1 27 THR -3.17 -0.60 1 28 LYS -2.89 -4.25 1 29 LEU -4.20 -2.50 1 30 SER -3.01 -1.62 1 31 GLN 0.78 -1.10 1 32 GLU -4.39 -1.84 1 33 ASP 1.25 0.48 1 35 ALA -5.22 -2.30 1 36 ILE -5.28 -4.38 1 37 LEU -5.27 -2.29 1 40 GLU -0.65 1.39 1 42 ASP -4.07 0.04 1 43 ARG 3.08 -2.42 1 44 TYR -0.42 -0.30 1 45 SER 1.74 0.32 1 46 ASP 1.74 0.35 1 47 ASN 0.67 -0.12 1 48 LYS 4.02 2.21 1 49 GLN 4.54 1.44 1 50 ILE 3.75 2.28 1 51 LYS 4.55 0.84 1 52 ALA 3.29 0.94 1 53 LEU 3.78 2.50 1 54 THR 6.87 2.42 1 55 GLN 3.51 1.60 1 56 GLN -0.24 -0.45 1 57 ILE 3.22 0.82 1 58 THR -1.04 0.52 1 59 LYS -1.86 -3.89 1 61 THR -3.70 -0.96 1 62 VAL -1.65 -0.75 1 63 ASN 2.35 0.68 1 65 THR 1.69 -0.93 1 66 VAL 3.20 -0.23 1 67 TYR -3.68 -0.24 1 70 LEU 0.60 1.05 1 72 SER -1.91 -1.29 1 73 ASP -0.93 -1.58 1 74 SER 0.12 1.36 1 75 VAL -1.14 0.83 1 76 LYS 1.88 0.29 1 77 ASP 3.40 -1.57 1 78 THR -3.70 0.79 1 79 ASN -0.91 -0.47 1 81 TRP -7.89 -2.65 1 82 VAL -5.91 -1.04 1 83 SER -2.48 -0.50 1 84 ASN -0.91 1.88 1 86 THR 0.01 -1.32 1 88 LEU -2.09 -2.46 1 89 HIS -2.61 0.45 1 92 THR 2.14 2.08 1 93 LYS 5.08 0.75 1 94 ALA -0.45 0.00 1 95 PHE 1.07 -0.79 1 96 LYS -5.03 -1.27 1 97 ASP 1.87 0.78 1 99 GLU 0.94 -0.61 1 100 ASN -5.15 -1.78 1 101 THR -0.51 -1.45 1 102 ILE -3.17 -2.28 1 103 VAL -0.61 -0.08 1 104 ILE -2.10 -1.12 1 105 SER -1.94 -1.67 1 106 SER -2.47 -0.28 1 107 LYS 2.94 0.18 1 109 PHE -3.76 0.49 1 110 GLU -0.65 0.84 1 111 ASP 1.29 0.18 1 112 VAL -2.19 -1.41 1 113 THR 0.81 0.24 1 114 ILE -3.69 -2.00 1 115 THR 0.03 -0.41 1 116 VAL -5.90 -2.33 1 117 THR -3.16 -1.53 1 118 LYS -4.48 -1.51 1 119 LYS -2.37 -0.91 1 120 ASP 3.38 -0.26 1 122 GLN -3.44 -1.40 1 123 ILE -1.57 -2.22 1 124 HIS -4.28 0.58 1 125 PHE 2.10 -1.22 1 126 VAL 2.60 -1.54 1 127 SER -1.94 -3.18 1 128 ALA -4.69 -2.69 1 129 LYS -5.56 -2.06 1 130 GLN -3.97 -0.99 1 131 LYS 1.99 -1.65 1 stop_ save_