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 bmr26052_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -4.89 _LACS_plot.Line_1_terminator_val_y_1 -1.61 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.65 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.61 _LACS_plot.Line_2_terminator_val_x_2 6.44 _LACS_plot.Line_2_terminator_val_y_2 5.05 _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 68 HIS 4.46 7.03 0 10 LYS 0.44 0.33 1 11 GLU 0.01 0.28 1 12 ILE 0.19 0.23 1 13 GLU -0.40 0.12 1 14 THR 0.10 0.17 1 16 GLN 0.08 0.16 1 17 SER 0.01 0.19 1 18 THR -0.28 -0.08 1 19 THR -0.43 -0.11 1 20 ALA -0.67 -0.20 1 21 ASN 0.41 0.11 1 22 GLN 3.59 2.64 1 23 SER 4.09 2.93 1 24 ASP 3.92 3.32 1 25 VAL 5.28 4.31 1 26 ASP 4.50 3.39 1 27 ASP 4.55 3.46 1 28 PHE 5.52 4.89 1 29 ASN 4.25 3.29 1 30 THR 5.51 4.82 1 31 LEU 4.61 2.57 1 32 TYR 4.23 4.16 1 33 ASP 3.90 3.31 1 34 ALA 1.51 0.62 1 35 PHE 3.92 3.32 1 36 TYR -3.13 -0.39 1 37 THR 3.28 2.04 1 38 ASN -0.60 -0.40 1 39 SER 3.39 2.47 1 40 ASN 1.84 1.17 1 41 LYS 6.17 2.02 1 42 THR 0.03 0.04 1 43 ALA -4.33 -1.26 1 44 LEU -1.32 -0.21 1 45 LYS -2.01 -1.78 1 46 ASN 5.66 2.81 1 47 SER 3.70 2.06 1 48 GLN -2.14 -1.63 1 49 PHE 3.21 0.51 1 50 ASP 2.73 1.40 1 51 LYS 1.47 0.12 1 52 LEU 4.50 4.15 1 53 SER 4.29 2.94 1 54 GLN 4.38 3.05 1 55 LEU 3.37 2.70 1 56 LYS 4.19 2.27 1 57 THR 5.93 5.05 1 58 LEU 3.35 2.98 1 59 LEU 3.91 2.91 1 60 ASP 4.50 2.75 1 61 LYS 3.06 2.36 1 62 LEU -0.93 -1.09 1 63 GLU 3.58 2.88 1 65 SER -4.27 -0.96 1 66 ARG 3.91 2.85 1 67 GLU 3.55 2.67 1 69 THR 6.44 5.09 1 70 LEU 3.10 2.26 1 71 ALA 4.23 2.69 1 72 LYS 4.49 3.26 1 73 SER 4.20 3.31 1 74 LYS 4.84 3.94 1 75 TYR 3.89 5.22 1 76 ASP 4.41 3.32 1 77 SER 3.99 3.08 1 78 LEU 3.11 3.02 1 79 ALA 4.54 3.05 1 80 THR 5.67 4.91 1 81 GLN 4.61 4.58 1 82 ILE 5.53 4.99 1 83 LYS 3.71 2.78 1 84 ALA 2.62 2.64 1 85 ILE 5.03 4.80 1 86 GLN 4.39 3.95 1 87 ASP 4.26 3.38 1 88 VAL 6.34 5.27 1 89 ASN 3.86 2.71 1 90 ALA 2.12 1.26 1 91 GLN -0.17 -1.69 1 92 PHE -4.89 -0.82 1 93 GLU 2.75 3.00 1 94 LYS -1.80 -1.04 1 96 ALA 1.29 1.00 1 97 ILE -1.05 -0.51 1 98 VAL -1.59 -0.32 1 99 ASP 3.14 0.17 1 101 VAL -0.96 -0.37 1 102 LEU -2.87 -1.50 1 103 ASP -0.60 -1.40 1 104 THR 3.88 1.97 1 105 ASN -0.52 -0.24 1 106 ALA 0.25 1.03 1 107 LYS -2.70 -1.61 1 108 ALA 0.91 0.03 1 109 LYS 0.16 0.73 1 110 SER 3.78 2.74 1 111 ASP -0.20 -1.99 1 112 ALA -0.68 0.53 1 113 LYS -2.38 -0.86 1 114 PHE -3.03 -0.62 1 115 THR -1.84 -0.93 1 116 ASP 0.58 0.27 1 117 ILE -2.22 -0.61 1 118 LYS -1.88 -1.45 1 119 THR -0.08 1.79 1 121 ASN -0.34 -1.31 1 122 THR 5.66 4.72 1 123 GLU 3.43 2.62 1 124 LEU 3.35 1.97 1 125 ASP 5.20 3.55 1 126 LYS 3.80 3.58 1 127 VAL 5.00 4.01 1 128 LEU 4.98 3.60 1 129 ASP 2.87 3.07 1 130 LYS 3.20 2.50 1 131 ALA 3.28 2.79 1 132 ILE 3.94 3.10 1 133 SER 1.61 1.39 1 134 LEU 1.34 0.73 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26052_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -4.89 _LACS_plot.Line_1_terminator_val_y_1 3.28 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.35 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.39 _LACS_plot.Line_2_terminator_val_x_2 6.44 _LACS_plot.Line_2_terminator_val_y_2 -1.39 _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 68 HIS 4.46 2.57 0 10 LYS 0.44 -0.11 1 11 GLU 0.01 0.27 1 12 ILE 0.19 0.04 1 13 GLU -0.40 0.52 1 14 THR 0.10 0.07 1 16 GLN 0.08 0.08 1 17 SER 0.01 0.18 1 18 THR -0.28 0.20 1 19 THR -0.43 0.32 1 20 ALA -0.67 0.47 1 21 ASN 0.41 -0.30 1 22 GLN 3.59 -0.95 1 23 SER 4.09 -1.16 1 24 ASP 3.92 -0.60 1 25 VAL 5.28 -0.97 1 26 ASP 4.50 -1.11 1 27 ASP 4.55 -1.09 1 28 PHE 5.52 -0.63 1 29 ASN 4.25 -0.96 1 30 THR 5.51 -0.69 1 31 LEU 4.61 -2.04 1 32 TYR 4.23 -0.07 1 33 ASP 3.90 -0.59 1 34 ALA 1.51 -0.89 1 35 PHE 3.92 -0.60 1 36 TYR -3.13 2.74 1 37 THR 3.28 -1.24 1 38 ASN -0.60 0.20 1 39 SER 3.39 -0.92 1 40 ASN 1.84 -0.67 1 41 LYS 6.17 -4.15 1 42 THR 0.03 0.01 1 43 ALA -4.33 3.07 1 44 LEU -1.32 1.11 1 45 LYS -2.01 0.23 1 46 ASN 5.66 -2.85 1 47 SER 3.70 -1.64 1 48 GLN -2.14 0.51 1 49 PHE 3.21 -2.70 1 50 ASP 2.73 -1.33 1 51 LYS 1.47 -1.35 1 52 LEU 4.50 -0.35 1 53 SER 4.29 -1.35 1 54 GLN 4.38 -1.33 1 55 LEU 3.37 -0.67 1 56 LYS 4.19 -1.92 1 57 THR 5.93 -0.88 1 58 LEU 3.35 -0.37 1 59 LEU 3.91 -1.00 1 60 ASP 4.50 -1.75 1 61 LYS 3.06 -0.70 1 62 LEU -0.93 -0.16 1 63 GLU 3.58 -0.70 1 65 SER -4.27 3.31 1 66 ARG 3.91 -1.06 1 67 GLU 3.55 -0.88 1 69 THR 6.44 -1.35 1 70 LEU 3.10 -0.84 1 71 ALA 4.23 -1.54 1 72 LYS 4.49 -1.23 1 73 SER 4.20 -0.89 1 74 LYS 4.84 -0.90 1 75 TYR 3.89 1.33 1 76 ASP 4.41 -1.09 1 77 SER 3.99 -0.91 1 78 LEU 3.11 -0.09 1 79 ALA 4.54 -1.49 1 80 THR 5.67 -0.76 1 81 GLN 4.61 -0.03 1 82 ILE 5.53 -0.54 1 83 LYS 3.71 -0.93 1 84 ALA 2.62 0.02 1 85 ILE 5.03 -0.23 1 86 GLN 4.39 -0.44 1 87 ASP 4.26 -0.88 1 88 VAL 6.34 -1.07 1 89 ASN 3.86 -1.15 1 90 ALA 2.12 -0.86 1 91 GLN -0.17 -1.52 1 92 PHE -4.89 4.07 1 93 GLU 2.75 0.25 1 94 LYS -1.80 0.76 1 96 ALA 1.29 -0.29 1 97 ILE -1.05 0.54 1 98 VAL -1.59 1.27 1 99 ASP 3.14 -2.97 1 101 VAL -0.96 0.59 1 102 LEU -2.87 1.37 1 103 ASP -0.60 -0.80 1 104 THR 3.88 -1.91 1 105 ASN -0.52 0.28 1 106 ALA 0.25 0.78 1 107 LYS -2.70 1.09 1 108 ALA 0.91 -0.88 1 109 LYS 0.16 0.57 1 110 SER 3.78 -1.04 1 111 ASP -0.20 -1.79 1 112 ALA -0.68 1.21 1 113 LYS -2.38 1.52 1 114 PHE -3.03 2.41 1 115 THR -1.84 0.91 1 116 ASP 0.58 -0.31 1 117 ILE -2.22 1.61 1 118 LYS -1.88 0.43 1 119 THR -0.08 1.87 1 121 ASN -0.34 -0.97 1 122 THR 5.66 -0.94 1 123 GLU 3.43 -0.81 1 124 LEU 3.35 -1.38 1 125 ASP 5.20 -1.65 1 126 LYS 3.80 -0.22 1 127 VAL 5.00 -0.99 1 128 LEU 4.98 -1.38 1 129 ASP 2.87 0.20 1 130 LYS 3.20 -0.70 1 131 ALA 3.28 -0.49 1 132 ILE 3.94 -0.84 1 133 SER 1.61 -0.22 1 134 LEU 1.34 -0.61 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26052_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -4.89 _LACS_plot.Line_1_terminator_val_y_1 0.41 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.14 _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 6.44 _LACS_plot.Line_2_terminator_val_y_2 -0.50 _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 46 ASN 5.66 -2.70 0 10 LYS 0.44 -0.01 1 11 GLU 0.01 -0.09 1 12 ILE 0.19 -0.03 1 13 GLU -0.40 0.02 1 14 THR 0.10 0.02 1 16 GLN 0.08 0.08 1 17 SER 0.01 0.09 1 18 THR -0.28 0.15 1 19 THR -0.43 0.24 1 20 ALA -0.67 -0.02 1 21 ASN 0.41 -0.07 1 22 GLN 3.59 -0.45 1 23 SER 4.09 -0.16 1 24 ASP 3.92 -0.17 1 25 VAL 5.28 -0.56 1 26 ASP 4.50 -0.11 1 27 ASP 4.55 -0.20 1 28 PHE 5.52 -0.64 1 29 ASN 4.25 -0.26 1 30 THR 5.51 -0.33 1 31 LEU 4.61 -0.06 1 32 TYR 4.23 -0.52 1 33 ASP 3.90 -0.38 1 34 ALA 1.51 0.01 1 35 PHE 3.92 -0.75 1 36 TYR -3.13 0.72 1 37 THR 3.28 -0.51 1 39 SER 3.39 -0.25 1 40 ASN 1.84 -0.19 1 41 LYS 6.17 -0.82 1 42 THR 0.03 0.07 1 43 ALA -4.33 0.41 1 44 LEU -1.32 0.32 1 45 LYS -2.01 0.14 1 47 SER 3.70 -0.50 1 48 GLN -2.14 0.03 1 49 PHE 3.21 0.03 1 50 ASP 2.73 0.02 1 51 LYS 1.47 0.30 1 52 LEU 4.50 -0.07 1 53 SER 4.29 -0.03 1 54 GLN 4.38 -0.05 1 55 LEU 3.37 -0.07 1 56 LYS 4.19 -0.64 1 57 THR 5.93 -0.34 1 58 LEU 3.35 -0.16 1 59 LEU 3.91 -0.50 1 60 ASP 4.50 -0.27 1 61 LYS 3.06 -0.19 1 62 LEU -0.93 0.04 1 63 GLU 3.58 -1.33 1 65 SER -4.27 0.51 1 66 ARG 3.91 -0.13 1 67 GLU 3.55 -0.27 1 68 HIS 4.46 -1.12 1 69 THR 6.44 -0.58 1 70 LEU 3.10 -0.17 1 71 ALA 4.23 -0.74 1 72 LYS 4.49 -0.61 1 73 SER 4.20 -0.10 1 74 LYS 4.84 -0.29 1 75 TYR 3.89 -0.65 1 76 ASP 4.41 -0.37 1 77 SER 3.99 -0.14 1 78 LEU 3.11 -0.40 1 79 ALA 4.54 -0.68 1 80 THR 5.67 -0.51 1 81 GLN 4.61 -0.55 1 82 ILE 5.53 -1.31 1 83 LYS 3.71 -0.34 1 84 ALA 2.62 -0.09 1 85 ILE 5.03 -0.67 1 86 GLN 4.39 -0.12 1 87 ASP 4.26 -0.16 1 88 VAL 6.34 -0.04 1 89 ASN 3.86 0.13 1 90 ALA 2.12 0.03 1 91 GLN -0.17 -0.19 1 92 PHE -4.89 0.39 1 93 GLU 2.75 -0.38 1 94 LYS -1.80 0.01 1 96 ALA 1.29 -0.22 1 97 ILE -1.05 0.30 1 98 VAL -1.59 -0.01 1 99 ASP 3.14 0.29 1 101 VAL -0.96 -0.02 1 102 LEU -2.87 0.43 1 103 ASP -0.60 0.03 1 104 THR 3.88 -0.35 1 105 ASN -0.52 0.18 1 106 ALA 0.25 -0.23 1 107 LYS -2.70 0.40 1 108 ALA 0.91 -0.31 1 109 LYS 0.16 -0.07 1 110 SER 3.78 -0.34 1 111 ASP -0.20 -0.01 1 112 ALA -0.68 -0.29 1 113 LYS -2.38 -0.03 1 114 PHE -3.03 0.27 1 115 THR -1.84 0.13 1 116 ASP 0.58 -0.09 1 117 ILE -2.22 0.04 1 118 LYS -1.88 0.16 1 119 THR -0.08 -0.13 1 121 ASN -0.34 0.13 1 122 THR 5.66 -0.48 1 123 GLU 3.43 -0.24 1 124 LEU 3.35 0.07 1 126 LYS 3.80 -0.15 1 127 VAL 5.00 -0.26 1 128 LEU 4.98 -0.40 1 129 ASP 2.87 -0.30 1 130 LYS 3.20 -0.32 1 131 ALA 3.28 -0.43 1 132 ILE 3.94 -1.37 1 133 SER 1.61 -0.09 1 134 LEU 1.34 0.04 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26052_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -4.89 _LACS_plot.Line_1_terminator_val_y_1 -1.78 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.74 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.72 _LACS_plot.Line_2_terminator_val_x_2 6.44 _LACS_plot.Line_2_terminator_val_y_2 2.35 _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 65 SER -4.27 2.14 0 41 LYS 6.17 -2.12 0 10 LYS 0.44 -0.11 1 11 GLU 0.01 -0.09 1 12 ILE 0.19 -0.06 1 13 GLU -0.40 0.20 1 14 THR 0.10 0.07 1 16 GLN 0.08 0.04 1 17 SER 0.01 0.05 1 18 THR -0.28 -0.34 1 19 THR -0.43 -0.17 1 20 ALA -0.67 -0.12 1 21 ASN 0.41 1.37 1 22 GLN 3.59 1.28 1 23 SER 4.09 1.30 1 24 ASP 3.92 2.75 1 25 VAL 5.28 1.15 1 26 ASP 4.50 3.08 1 27 ASP 4.55 2.72 1 28 PHE 5.52 -0.07 1 29 ASN 4.25 2.22 1 30 THR 5.51 1.91 1 31 LEU 4.61 0.09 1 32 TYR 4.23 1.44 1 33 ASP 3.90 2.66 1 34 ALA 1.51 0.58 1 35 PHE 3.92 -0.46 1 36 TYR -3.13 0.64 1 37 THR 3.28 -0.03 1 38 ASN -0.60 1.85 1 39 SER 3.39 0.48 1 40 ASN 1.84 0.23 1 42 THR 0.03 -0.32 1 43 ALA -4.33 -2.36 1 44 LEU -1.32 -0.83 1 45 LYS -2.01 -0.72 1 46 ASN 5.66 2.47 1 47 SER 3.70 0.50 1 48 GLN -2.14 0.94 1 49 PHE 3.21 2.48 1 50 ASP 2.73 1.18 1 51 LYS 1.47 1.23 1 52 LEU 4.50 0.87 1 53 SER 4.29 2.78 1 54 GLN 4.38 2.88 1 55 LEU 3.37 0.71 1 56 LYS 4.19 0.96 1 57 THR 5.93 2.32 1 58 LEU 3.35 1.66 1 59 LEU 3.91 1.74 1 60 ASP 4.50 3.39 1 61 LYS 3.06 1.22 1 62 LEU -0.93 -0.15 1 63 GLU 3.58 0.06 1 66 ARG 3.91 2.13 1 67 GLU 3.55 0.64 1 68 HIS 4.46 1.62 1 69 THR 6.44 1.88 1 70 LEU 3.10 1.27 1 71 ALA 4.23 0.51 1 72 LYS 4.49 0.99 1 73 SER 4.20 3.37 1 74 LYS 4.84 1.92 1 75 TYR 3.89 -0.12 1 76 ASP 4.41 3.51 1 77 SER 3.99 1.98 1 78 LEU 3.11 0.39 1 79 ALA 4.54 3.02 1 80 THR 5.67 1.67 1 81 GLN 4.61 0.89 1 82 ILE 5.53 0.89 1 83 LYS 3.71 1.23 1 84 ALA 2.62 1.89 1 85 ILE 5.03 1.82 1 86 GLN 4.39 4.00 1 87 ASP 4.26 2.90 1 88 VAL 6.34 2.35 1 89 ASN 3.86 2.80 1 90 ALA 2.12 0.14 1 91 GLN -0.17 -2.00 1 92 PHE -4.89 0.33 1 93 GLU 2.75 0.41 1 94 LYS -1.80 -2.18 1 96 ALA 1.29 -1.22 1 97 ILE -1.05 -0.49 1 98 VAL -1.59 -1.06 1 99 ASP 3.14 -0.08 1 101 VAL -0.96 -0.99 1 102 LEU -2.87 -1.83 1 103 ASP -0.60 0.38 1 104 THR 3.88 0.30 1 105 ASN -0.52 -0.27 1 106 ALA 0.25 -1.24 1 107 LYS -2.70 -1.37 1 108 ALA 0.91 0.78 1 109 LYS 0.16 1.78 1 110 SER 3.78 -0.04 1 111 ASP -0.20 -0.90 1 112 ALA -0.68 -0.44 1 113 LYS -2.38 -2.49 1 114 PHE -3.03 -0.01 1 115 THR -1.84 -1.75 1 116 ASP 0.58 -0.73 1 117 ILE -2.22 -2.14 1 118 LYS -1.88 0.30 1 119 THR -0.08 2.15 1 121 ASN -0.34 -0.27 1 122 THR 5.66 1.88 1 123 GLU 3.43 2.45 1 124 LEU 3.35 0.97 1 125 ASP 5.20 2.54 1 126 LYS 3.80 3.00 1 127 VAL 5.00 1.40 1 128 LEU 4.98 0.90 1 129 ASP 2.87 2.89 1 130 LYS 3.20 2.66 1 131 ALA 3.28 0.93 1 132 ILE 3.94 1.57 1 133 SER 1.61 0.03 1 134 LEU 1.34 0.06 1 stop_ save_