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 bmr15914_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.86 _LACS_plot.Line_1_terminator_val_y_1 -2.38 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.77 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.45 _LACS_plot.Line_2_terminator_val_x_2 6.83 _LACS_plot.Line_2_terminator_val_y_2 5.20 _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 49 TYR -3.42 0.72 0 54 GLU -6.86 -2.35 0 14 PHE 0.38 0.50 1 15 SER -0.19 -0.05 1 16 SER -0.17 -0.08 1 17 ALA 1.08 0.88 1 18 SER 1.01 0.80 1 19 ASP 1.29 1.07 1 20 ALA 2.28 1.84 1 21 GLU 2.05 1.92 1 22 PHE 4.88 4.50 1 23 ASP 3.80 2.85 1 24 ALA 3.18 1.84 1 25 VAL 6.21 4.59 1 26 VAL 6.71 5.08 1 28 TYR 2.14 0.94 1 29 LEU 3.63 3.18 1 30 GLU 4.22 3.16 1 31 ASP 3.12 2.75 1 32 ILE 3.45 3.59 1 33 ILE 3.36 2.14 1 34 MET 0.20 -0.77 1 35 ASP -2.03 0.42 1 36 ASP 3.82 3.63 1 37 GLU 3.75 3.23 1 38 PHE 3.96 3.71 1 39 GLN 4.64 3.45 1 40 LEU 3.22 2.81 1 41 LEU 3.52 3.17 1 42 GLN 4.77 4.13 1 43 ARG 4.73 3.77 1 44 ASN 4.01 2.74 1 45 PHE 4.78 4.63 1 46 MET 5.33 2.34 1 47 ASP 3.40 3.08 1 48 LYS 3.05 2.75 1 50 TYR 6.75 4.54 1 51 LEU 2.55 0.89 1 52 GLU 0.28 -0.46 1 53 PHE 0.71 1.29 1 55 ASP 0.90 -1.31 1 56 THR -4.72 -2.63 1 57 GLU 0.44 0.27 1 58 GLU -0.03 0.32 1 59 ASN 0.36 -1.14 1 60 LYS 1.24 0.42 1 61 LEU 4.30 3.20 1 62 ILE 0.33 0.64 1 63 TYR 1.80 -0.67 1 64 THR 6.32 5.55 1 66 ILE 2.60 1.87 1 67 PHE 4.16 2.96 1 68 ASN 2.84 2.80 1 69 GLU 3.03 2.79 1 70 TYR 4.14 2.66 1 71 ILE 3.59 3.08 1 72 SER -0.68 1.44 1 73 LEU 5.74 4.05 1 74 VAL 6.83 3.94 1 75 GLU 3.32 2.16 1 76 LYS 4.24 3.92 1 77 TYR 5.54 4.08 1 78 ILE 4.56 4.25 1 79 GLU 3.82 2.98 1 80 GLU 3.39 2.07 1 81 GLN 4.10 2.66 1 82 LEU 2.14 1.92 1 83 LEU 2.55 1.84 1 84 GLN -0.38 0.76 1 85 ARG -1.59 -0.69 1 86 ILE 0.70 -0.55 1 88 GLU 2.03 2.42 1 89 PHE -3.03 -1.26 1 90 ASN 3.01 2.36 1 91 MET 4.44 2.87 1 92 ALA 3.11 2.11 1 93 ALA 3.53 3.94 1 94 PHE 6.39 5.03 1 95 THR 5.97 4.75 1 96 THR 5.43 4.18 1 97 THR 4.12 3.42 1 98 LEU 4.44 3.03 1 99 GLN 1.20 1.15 1 100 HIS -0.92 -0.17 1 101 HIS 3.98 3.71 1 102 LYS 2.22 1.30 1 103 ASP -1.63 -0.24 1 104 GLU -3.27 -1.83 1 105 VAL 0.20 0.47 1 106 ALA 4.28 2.52 1 108 ASP 3.83 2.37 1 109 ILE 4.92 5.07 1 110 PHE 4.30 2.90 1 111 ASP 3.87 2.80 1 112 MET 4.00 2.27 1 113 LEU 2.77 2.10 1 114 LEU 3.01 3.53 1 115 THR -0.71 -1.79 1 116 PHE -1.28 -0.16 1 117 THR -3.07 -0.78 1 118 ASP 4.14 3.79 1 119 PHE 5.16 3.07 1 120 LEU 3.72 2.33 1 121 ALA 4.86 3.38 1 122 PHE 4.38 3.65 1 123 LYS 3.90 2.81 1 124 GLU 4.56 3.43 1 125 MET 5.22 5.45 1 126 PHE 4.70 2.84 1 127 LEU 4.13 2.76 1 128 ASP 3.33 3.90 1 129 TYR 5.08 4.08 1 130 ARG 3.98 2.63 1 131 ALA 3.22 2.25 1 132 GLU 2.67 1.34 1 133 LYS 0.43 0.62 1 134 GLU -0.07 0.02 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15914_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.86 _LACS_plot.Line_1_terminator_val_y_1 4.48 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.23 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.55 _LACS_plot.Line_2_terminator_val_x_2 6.83 _LACS_plot.Line_2_terminator_val_y_2 -1.63 _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 49 TYR -3.42 4.14 0 54 GLU -6.86 4.51 0 14 PHE 0.38 0.12 1 15 SER -0.19 0.14 1 16 SER -0.17 0.09 1 17 ALA 1.08 -0.20 1 18 SER 1.01 -0.21 1 19 ASP 1.29 -0.22 1 20 ALA 2.28 -0.44 1 21 GLU 2.05 -0.13 1 22 PHE 4.88 -0.38 1 23 ASP 3.80 -0.95 1 24 ALA 3.18 -1.34 1 25 VAL 6.21 -1.62 1 26 VAL 6.71 -1.63 1 28 TYR 2.14 -1.20 1 29 LEU 3.63 -0.45 1 30 GLU 4.22 -1.06 1 31 ASP 3.12 -0.37 1 32 ILE 3.45 0.14 1 33 ILE 3.36 -1.22 1 34 MET 0.20 -0.97 1 35 ASP -2.03 2.45 1 36 ASP 3.82 -0.19 1 37 GLU 3.75 -0.52 1 38 PHE 3.96 -0.25 1 39 GLN 4.64 -1.19 1 40 LEU 3.22 -0.41 1 41 LEU 3.52 -0.35 1 42 GLN 4.77 -0.64 1 43 ARG 4.73 -0.96 1 44 ASN 4.01 -1.27 1 45 PHE 4.78 -0.15 1 46 MET 5.33 -2.99 1 47 ASP 3.40 -0.32 1 48 LYS 3.05 -0.30 1 50 TYR 6.75 -2.21 1 51 LEU 2.55 -1.66 1 52 GLU 0.28 -0.74 1 53 PHE 0.71 0.58 1 55 ASP 0.90 -2.21 1 56 THR -4.72 2.09 1 57 GLU 0.44 -0.17 1 58 GLU -0.03 0.35 1 59 ASN 0.36 -1.50 1 60 LYS 1.24 -0.82 1 61 LEU 4.30 -1.10 1 62 ILE 0.33 0.31 1 63 TYR 1.80 -2.47 1 64 THR 6.32 -0.77 1 66 ILE 2.60 -0.73 1 67 PHE 4.16 -1.20 1 68 ASN 2.84 -0.04 1 69 GLU 3.03 -0.24 1 70 TYR 4.14 -1.48 1 71 ILE 3.59 -0.51 1 72 SER -0.68 2.12 1 73 LEU 5.74 -1.69 1 74 VAL 6.83 -2.89 1 75 GLU 3.32 -1.16 1 76 LYS 4.24 -0.32 1 77 TYR 5.54 -1.46 1 78 ILE 4.56 -0.31 1 79 GLU 3.82 -0.84 1 80 GLU 3.39 -1.32 1 81 GLN 4.10 -1.44 1 82 LEU 2.14 -0.22 1 83 LEU 2.55 -0.71 1 84 GLN -0.38 1.14 1 85 ARG -1.59 0.90 1 86 ILE 0.70 -1.25 1 88 GLU 2.03 0.39 1 89 PHE -3.03 1.77 1 90 ASN 3.01 -0.65 1 91 MET 4.44 -1.57 1 92 ALA 3.11 -1.00 1 93 ALA 3.53 0.41 1 94 PHE 6.39 -1.36 1 95 THR 5.97 -1.22 1 96 THR 5.43 -1.25 1 97 THR 4.12 -0.70 1 98 LEU 4.44 -1.41 1 99 GLN 1.20 -0.05 1 100 HIS -0.92 0.75 1 101 HIS 3.98 -0.27 1 102 LYS 2.22 -0.92 1 103 ASP -1.63 1.39 1 104 GLU -3.27 1.44 1 105 VAL 0.20 0.27 1 106 ALA 4.28 -1.76 1 108 ASP 3.83 -1.46 1 109 ILE 4.92 0.15 1 110 PHE 4.30 -1.40 1 111 ASP 3.87 -1.07 1 112 MET 4.00 -1.73 1 113 LEU 2.77 -0.67 1 114 LEU 3.01 0.52 1 115 THR -0.71 -1.08 1 116 PHE -1.28 1.12 1 117 THR -3.07 2.29 1 118 ASP 4.14 -0.35 1 119 PHE 5.16 -2.09 1 120 LEU 3.72 -1.39 1 121 ALA 4.86 -1.48 1 122 PHE 4.38 -0.73 1 123 LYS 3.90 -1.09 1 124 GLU 4.56 -1.13 1 125 MET 5.22 0.23 1 126 PHE 4.70 -1.86 1 127 LEU 4.13 -1.37 1 128 ASP 3.33 0.57 1 129 TYR 5.08 -1.00 1 130 ARG 3.98 -1.35 1 131 ALA 3.22 -0.97 1 132 GLU 2.67 -1.33 1 133 LYS 0.43 0.19 1 134 GLU -0.07 0.09 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15914_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.86 _LACS_plot.Line_1_terminator_val_y_1 0.53 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.32 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.10 _LACS_plot.Line_2_terminator_val_x_2 6.83 _LACS_plot.Line_2_terminator_val_y_2 -0.82 _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 50 TYR 6.75 0.05 0 54 GLU -6.86 0.23 0 15 SER -0.19 -0.11 1 16 SER -0.17 -0.74 1 17 ALA 1.08 -0.07 1 18 SER 1.01 -0.14 1 19 ASP 1.29 -0.09 1 20 ALA 2.28 -0.15 1 21 GLU 2.05 -0.22 1 22 PHE 4.88 -0.50 1 23 ASP 3.80 -0.60 1 24 ALA 3.18 -0.53 1 25 VAL 6.21 -0.90 1 26 VAL 6.71 -0.85 1 28 TYR 2.14 0.00 1 29 LEU 3.63 -0.61 1 30 GLU 4.22 -0.63 1 31 ASP 3.12 -0.34 1 32 ILE 3.45 -0.53 1 33 ILE 3.36 -0.57 1 34 MET 0.20 0.02 1 35 ASP -2.03 -0.16 1 36 ASP 3.82 -0.40 1 37 GLU 3.75 -0.42 1 38 PHE 3.96 -0.98 1 39 GLN 4.64 -0.63 1 40 LEU 3.22 -0.42 1 41 LEU 3.52 -0.51 1 42 GLN 4.77 -0.78 1 43 ARG 4.73 -0.69 1 44 ASN 4.01 -0.41 1 45 PHE 4.78 -0.49 1 46 MET 5.33 -0.42 1 47 ASP 3.40 0.16 1 48 LYS 3.05 -0.49 1 49 TYR -3.42 0.45 1 51 LEU 2.55 -0.46 1 52 GLU 0.28 -0.15 1 53 PHE 0.71 -0.19 1 55 ASP 0.90 0.10 1 56 THR -4.72 0.22 1 57 GLU 0.44 -0.13 1 58 GLU -0.03 -0.41 1 59 ASN 0.36 0.18 1 60 LYS 1.24 -0.52 1 61 LEU 4.30 -0.45 1 62 ILE 0.33 -0.22 1 63 TYR 1.80 -0.21 1 64 THR 6.32 -0.64 1 66 ILE 2.60 -0.50 1 67 PHE 4.16 -0.53 1 68 ASN 2.84 -0.25 1 69 GLU 3.03 -1.19 1 70 TYR 4.14 -0.90 1 71 ILE 3.59 -0.44 1 72 SER -0.68 0.08 1 73 LEU 5.74 -0.59 1 74 VAL 6.83 -1.34 1 75 GLU 3.32 -0.55 1 76 LYS 4.24 -0.51 1 77 TYR 5.54 -1.01 1 78 ILE 4.56 -0.79 1 79 GLU 3.82 -0.58 1 80 GLU 3.39 -0.74 1 81 GLN 4.10 -0.80 1 82 LEU 2.14 -0.14 1 83 LEU 2.55 -0.46 1 84 GLN -0.38 -0.29 1 85 ARG -1.59 -0.06 1 86 ILE 0.70 -0.14 1 88 GLU 2.03 -0.63 1 89 PHE -3.03 -0.29 1 90 ASN 3.01 -0.43 1 91 MET 4.44 -0.26 1 92 ALA 3.11 -0.27 1 93 ALA 3.53 -0.32 1 94 PHE 6.39 -0.78 1 95 THR 5.97 -0.41 1 96 THR 5.43 -0.45 1 97 THR 4.12 -0.61 1 98 LEU 4.44 -0.41 1 99 GLN 1.20 -0.21 1 100 HIS -0.92 -0.03 1 101 HIS 3.98 -0.71 1 102 LYS 2.22 -0.22 1 103 ASP -1.63 -0.01 1 104 GLU -3.27 0.18 1 105 VAL 0.20 -0.15 1 106 ALA 4.28 -0.31 1 108 ASP 3.83 -0.48 1 109 ILE 4.92 -0.86 1 110 PHE 4.30 -0.42 1 111 ASP 3.87 -0.40 1 112 MET 4.00 -0.62 1 113 LEU 2.77 -0.33 1 114 LEU 3.01 -0.28 1 115 THR -0.71 0.40 1 116 PHE -1.28 0.28 1 117 THR -3.07 0.32 1 118 ASP 4.14 -1.11 1 119 PHE 5.16 -0.50 1 120 LEU 3.72 -0.32 1 121 ALA 4.86 -0.73 1 122 PHE 4.38 -1.24 1 123 LYS 3.90 -0.70 1 124 GLU 4.56 -0.62 1 125 MET 5.22 -0.99 1 126 PHE 4.70 -0.37 1 127 LEU 4.13 -0.33 1 128 ASP 3.33 -0.64 1 129 TYR 5.08 -0.62 1 130 ARG 3.98 -0.32 1 131 ALA 3.22 -0.49 1 132 GLU 2.67 -0.60 1 133 LYS 0.43 -0.19 1 134 GLU -0.07 -0.02 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15914_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.86 _LACS_plot.Line_1_terminator_val_y_1 -1.76 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.07 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.16 _LACS_plot.Line_2_terminator_val_x_2 6.83 _LACS_plot.Line_2_terminator_val_y_2 2.44 _LACS_plot.Y_axis_chem_shift_offset -0.43 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 49 TYR -3.42 2.24 0 54 GLU -6.86 -0.88 0 19 ASP 1.29 0.23 1 20 ALA 2.28 2.06 1 21 GLU 2.05 1.08 1 22 PHE 4.88 0.61 1 23 ASP 3.80 2.78 1 24 ALA 3.18 1.78 1 25 VAL 6.21 1.51 1 26 VAL 6.71 1.49 1 28 TYR 2.14 3.09 1 30 GLU 4.22 1.13 1 32 ILE 3.45 1.58 1 33 ILE 3.36 0.32 1 34 MET 0.20 0.12 1 35 ASP -2.03 0.84 1 36 ASP 3.82 2.02 1 37 GLU 3.75 2.70 1 38 PHE 3.96 0.68 1 40 LEU 3.22 0.13 1 41 LEU 3.52 2.14 1 42 GLN 4.77 1.64 1 43 ARG 4.73 1.75 1 44 ASN 4.01 2.95 1 45 PHE 4.78 0.89 1 46 MET 5.33 3.45 1 47 ASP 3.40 1.55 1 48 LYS 3.05 2.21 1 50 TYR 6.75 0.11 1 51 LEU 2.55 1.02 1 52 GLU 0.28 1.03 1 53 PHE 0.71 -1.48 1 55 ASP 0.90 -0.88 1 56 THR -4.72 -0.60 1 57 GLU 0.44 0.44 1 58 GLU -0.03 0.25 1 59 ASN 0.36 -0.95 1 60 LYS 1.24 1.31 1 61 LEU 4.30 2.24 1 62 ILE 0.33 -1.01 1 63 TYR 1.80 2.36 1 66 ILE 6.32 1.14 1 67 PHE 2.60 1.49 1 68 ASN 4.16 3.50 1 69 GLU 2.84 1.28 1 70 TYR 3.03 2.24 1 71 ILE 4.14 1.66 1 73 LEU -0.68 0.17 1 74 VAL 5.74 0.83 1 75 GLU 6.83 2.20 1 76 LYS 3.32 1.16 1 77 TYR 4.24 1.85 1 78 ILE 5.54 0.94 1 79 GLU 4.56 1.14 1 80 GLU 3.82 3.33 1 81 GLN 3.39 3.68 1 82 LEU 4.10 1.34 1 83 LEU 2.14 1.03 1 84 GLN 2.55 1.01 1 85 ARG -0.38 -0.30 1 88 GLU 0.70 -1.05 1 89 PHE 2.03 -2.34 1 90 ASN -3.03 -1.28 1 91 MET 3.01 1.17 1 92 ALA 4.44 2.61 1 93 ALA 3.11 2.68 1 94 PHE 3.53 1.55 1 95 THR 6.39 2.23 1 96 THR 5.97 1.69 1 97 THR 5.43 1.87 1 98 LEU 4.12 0.89 1 99 GLN 4.44 2.07 1 100 HIS 1.20 0.69 1 101 HIS -0.92 0.72 1 102 LYS 3.98 0.22 1 103 ASP 2.22 0.49 1 104 GLU -1.63 -0.82 1 105 VAL -3.27 -1.82 1 106 ALA 0.20 1.23 1 108 ASP 4.28 2.83 1 109 ILE 3.83 0.34 1 110 PHE 4.92 1.33 1 111 ASP 4.30 2.60 1 112 MET 3.87 2.75 1 113 LEU 4.00 2.15 1 114 LEU 2.77 1.76 1 115 THR 3.01 -1.11 1 116 PHE -0.71 0.69 1 117 THR -1.28 -0.61 1 118 ASP -3.07 0.03 1 120 LEU 5.16 2.00 1 121 ALA 3.72 3.20 1 122 PHE 4.86 -0.39 1 123 LYS 4.38 1.85 1 124 GLU 3.90 1.14 1 125 MET 4.56 3.22 1 126 PHE 5.22 3.19 1 127 LEU 4.70 3.02 1 128 ASP 4.13 1.95 1 129 TYR 3.33 1.73 1 131 ALA 3.98 2.66 1 132 GLU 3.22 2.93 1 133 LYS 2.67 -0.88 1 134 GLU 0.43 0.85 1 136 ARG -0.07 -0.44 1 stop_ save_