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 bmr30246_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.15 _LACS_plot.Line_1_terminator_val_y_1 -3.32 _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 -1.26 _LACS_plot.Line_2_terminator_val_x_2 7.92 _LACS_plot.Line_2_terminator_val_y_2 6.04 _LACS_plot.Y_axis_chem_shift_offset -0.21 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 16 PHE 2.18 -1.71 0 82 VAL -6.15 -3.21 0 103 TYR 5.30 0.23 0 10 LYS -0.37 -0.46 1 11 PHE -0.97 -0.83 1 12 LEU -2.80 -0.84 1 14 LYS 4.11 2.75 1 15 ALA 3.81 2.48 1 17 GLU 3.18 4.08 1 18 VAL 7.09 6.14 1 19 ALA 3.18 2.78 1 20 LEU 1.06 3.23 1 21 LYS 6.18 5.16 1 22 VAL 5.14 4.27 1 23 GLN 2.67 1.71 1 24 ILE 6.10 5.40 1 25 ILE 5.92 3.58 1 26 ALA 4.01 2.97 1 28 PHE 3.11 -0.32 1 29 ASP 5.85 3.79 1 30 ARG 4.72 4.04 1 32 LEU 5.11 3.06 1 33 VAL 6.67 5.53 1 34 LYS 4.27 3.83 1 35 TRP 5.19 5.26 1 36 LEU 2.24 2.10 1 37 ARG 4.22 3.44 1 38 VAL 1.01 1.98 1 39 HIS -0.50 2.02 1 41 ARG 3.83 2.80 1 42 THR 0.35 -0.57 1 43 LEU -2.14 -0.99 1 44 SER -3.37 -1.74 1 45 THR 6.77 5.42 1 46 VAL 5.35 3.36 1 47 GLN 2.95 3.39 1 48 LYS 6.19 5.07 1 49 LYS 5.89 4.07 1 50 ALA 3.55 3.18 1 51 LEU 4.45 2.81 1 52 TYR 7.93 6.51 1 53 PHE 6.15 4.22 1 54 VAL 6.77 4.64 1 55 ASN 3.87 2.94 1 56 ARG 7.35 5.23 1 57 ARG 2.44 0.98 1 58 TYR 4.75 4.62 1 59 MET 5.52 4.91 1 60 GLN 4.01 4.67 1 61 THR 4.23 3.64 1 62 HIS 1.43 2.27 1 63 TRP 3.42 3.91 1 64 ALA 4.28 2.89 1 65 ASN 3.75 3.08 1 66 TYR 3.73 0.19 1 67 MET 3.08 0.64 1 68 LEU 3.32 3.17 1 69 TRP 5.08 4.37 1 70 ILE 3.79 2.77 1 71 ASN 4.42 3.07 1 72 LYS 4.21 3.24 1 73 LYS 2.71 1.02 1 74 ILE 3.76 -0.02 1 75 ASP 3.71 3.10 1 76 ALA 0.51 0.09 1 77 LEU 1.01 2.03 1 79 ARG -2.38 -2.21 1 80 THR 1.55 1.50 1 83 VAL 6.56 5.25 1 85 ASP 3.45 3.65 1 86 TYR 5.70 5.25 1 87 THR 6.35 5.19 1 88 ARG 4.54 3.76 1 89 LEU 7.02 2.80 1 91 ALA 3.56 2.11 1 92 GLU 4.13 3.29 1 93 ILE 6.13 4.87 1 95 ARG -0.42 0.23 1 97 ILE 0.78 -1.01 1 99 MET 1.11 -0.50 1 100 ALA 4.09 3.15 1 101 TYR 2.80 2.01 1 102 PHE 2.76 1.90 1 104 ASP 4.07 3.68 1 105 ALA 3.71 2.52 1 107 LYS 3.74 3.46 1 108 ASP 3.56 3.29 1 109 LYS -0.00 -0.83 1 110 ASN 3.31 1.16 1 111 MET -2.85 -1.20 1 112 ILE 4.58 3.28 1 114 LYS 1.40 0.52 1 115 TYR -0.70 0.27 1 116 LEU -0.26 -2.73 1 118 TYR 5.17 2.01 1 119 MET 2.58 2.06 1 120 GLU 3.61 2.18 1 121 GLU 3.38 2.85 1 122 ILE 3.34 1.80 1 123 ASN 2.26 1.96 1 124 ARG 0.70 0.82 1 125 MET 0.78 1.11 1 126 ARG 2.55 1.15 1 128 ALA 0.64 2.27 1 129 ASP -1.44 -0.28 1 130 VAL 2.00 1.96 1 132 VAL -5.24 -3.28 1 133 LYS -3.38 -1.48 1 134 TYR 1.06 1.44 1 135 MET 0.07 1.40 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr30246_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.15 _LACS_plot.Line_1_terminator_val_y_1 2.83 _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 0.74 _LACS_plot.Line_2_terminator_val_x_2 7.92 _LACS_plot.Line_2_terminator_val_y_2 -1.88 _LACS_plot.Y_axis_chem_shift_offset -0.21 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 16 PHE 2.18 -3.89 0 82 VAL -6.15 2.94 0 103 TYR 5.30 -5.07 0 10 LYS -0.37 -0.09 1 11 PHE -0.97 0.14 1 12 LEU -2.80 1.96 1 14 LYS 4.11 -1.36 1 15 ALA 3.81 -1.33 1 17 GLU 3.18 0.90 1 18 VAL 7.09 -0.95 1 19 ALA 3.18 -0.40 1 20 LEU 1.06 2.17 1 21 LYS 6.18 -1.02 1 22 VAL 5.14 -0.87 1 23 GLN 2.67 -0.96 1 24 ILE 6.10 -0.70 1 25 ILE 5.92 -2.34 1 26 ALA 4.01 -1.04 1 28 PHE 3.11 -3.43 1 29 ASP 5.85 -2.06 1 30 ARG 4.72 -0.68 1 32 LEU 5.11 -2.05 1 33 VAL 6.67 -1.14 1 34 LYS 4.27 -0.44 1 35 TRP 5.19 0.07 1 36 LEU 2.24 -0.14 1 37 ARG 4.22 -0.78 1 38 VAL 1.01 0.97 1 39 HIS -0.50 2.52 1 41 ARG 3.83 -1.03 1 42 THR 0.35 -0.92 1 43 LEU -2.14 1.15 1 44 SER -3.37 1.63 1 45 THR 6.77 -1.35 1 46 VAL 5.35 -1.99 1 47 GLN 2.95 0.44 1 48 LYS 6.19 -1.12 1 49 LYS 5.89 -1.82 1 50 ALA 3.55 -0.37 1 51 LEU 4.45 -1.64 1 52 TYR 7.93 -1.42 1 53 PHE 6.15 -1.93 1 54 VAL 6.77 -2.13 1 55 ASN 3.87 -0.93 1 56 ARG 7.35 -2.12 1 57 ARG 2.44 -1.46 1 58 TYR 4.75 -0.13 1 59 MET 5.52 -0.61 1 60 GLN 4.01 0.66 1 61 THR 4.23 -0.59 1 62 HIS 1.43 0.84 1 63 TRP 3.42 0.49 1 64 ALA 4.28 -1.39 1 65 ASN 3.75 -0.67 1 66 TYR 3.73 -3.54 1 67 MET 3.08 -2.44 1 68 LEU 3.32 -0.15 1 69 TRP 5.08 -0.71 1 70 ILE 3.79 -1.02 1 71 ASN 4.42 -1.35 1 72 LYS 4.21 -0.97 1 73 LYS 2.71 -1.69 1 74 ILE 3.76 -3.78 1 75 ASP 3.71 -0.61 1 76 ALA 0.51 -0.42 1 77 LEU 1.01 1.02 1 79 ARG -2.38 0.17 1 80 THR 1.55 -0.05 1 83 VAL 6.56 -1.31 1 85 ASP 3.45 0.20 1 86 TYR 5.70 -0.45 1 87 THR 6.35 -1.16 1 88 ARG 4.54 -0.78 1 89 LEU 7.02 -4.22 1 91 ALA 3.56 -1.45 1 92 GLU 4.13 -0.84 1 93 ILE 6.13 -1.26 1 95 ARG -0.42 0.65 1 97 ILE 0.78 -1.79 1 99 MET 1.11 -1.61 1 100 ALA 4.09 -0.94 1 101 TYR 2.80 -0.79 1 102 PHE 2.76 -0.86 1 104 ASP 4.07 -0.39 1 105 ALA 3.71 -1.19 1 107 LYS 3.74 -0.28 1 108 ASP 3.56 -0.27 1 109 LYS -0.00 -0.83 1 110 ASN 3.31 -2.15 1 111 MET -2.85 1.65 1 112 ILE 4.58 -1.30 1 114 LYS 1.40 -0.88 1 115 TYR -0.70 0.97 1 116 LEU -0.26 -2.47 1 118 TYR 5.17 -3.16 1 119 MET 2.58 -0.52 1 120 GLU 3.61 -1.43 1 121 GLU 3.38 -0.53 1 122 ILE 3.34 -1.54 1 123 ASN 2.26 -0.30 1 124 ARG 0.70 0.12 1 125 MET 0.78 0.33 1 126 ARG 2.55 -1.40 1 128 ALA 0.64 1.63 1 129 ASP -1.44 1.16 1 130 VAL 2.00 -0.04 1 132 VAL -5.24 1.96 1 133 LYS -3.38 1.90 1 134 TYR 1.06 0.38 1 135 MET 0.07 1.33 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr30246_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.15 _LACS_plot.Line_1_terminator_val_y_1 0.48 _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 0.14 _LACS_plot.Line_2_terminator_val_x_2 7.92 _LACS_plot.Line_2_terminator_val_y_2 -0.58 _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 119 MET 2.58 -1.10 0 82 VAL -6.15 0.85 0 10 LYS -0.37 -0.08 1 12 LEU -2.80 0.15 1 15 ALA 3.81 -0.21 1 16 PHE 2.18 -0.20 1 18 VAL 7.09 -0.63 1 19 ALA 3.18 -0.14 1 20 LEU 1.06 -0.26 1 22 VAL 5.14 -0.57 1 23 GLN 2.67 -0.27 1 24 ILE 6.10 -1.00 1 25 ILE 5.92 -0.61 1 26 ALA 4.01 0.03 1 28 PHE 3.11 0.24 1 29 ASP 5.85 -0.48 1 30 ARG 4.72 -0.11 1 32 LEU 5.11 0.08 1 33 VAL 6.67 -0.50 1 34 LYS 4.27 -0.24 1 35 TRP 5.19 -0.30 1 36 LEU 2.24 -0.67 1 37 ARG 4.22 -0.27 1 38 VAL 1.01 -0.31 1 39 HIS -0.50 -0.38 1 41 ARG 3.83 -0.16 1 42 THR 0.35 0.13 1 43 LEU -2.14 0.41 1 44 SER -3.37 0.23 1 45 THR 6.77 -0.46 1 46 VAL 5.35 -0.52 1 47 GLN 2.95 -0.14 1 50 ALA 3.55 -0.03 1 51 LEU 4.45 -0.22 1 52 TYR 7.93 -0.59 1 53 PHE 6.15 -0.04 1 54 VAL 6.77 -0.77 1 55 ASN 3.87 -0.21 1 56 ARG 7.35 0.08 1 57 ARG 2.44 0.08 1 58 TYR 4.75 -0.40 1 59 MET 5.52 -0.04 1 60 GLN 4.01 -0.34 1 61 THR 4.23 -0.44 1 63 TRP 3.42 -0.46 1 64 ALA 4.28 -0.32 1 67 MET 3.08 -0.09 1 69 TRP 5.08 -0.40 1 70 ILE 3.79 -0.88 1 71 ASN 4.42 -0.33 1 72 LYS 4.21 -0.23 1 73 LYS 2.71 -0.55 1 74 ILE 3.76 -0.50 1 75 ASP 3.71 -0.25 1 76 ALA 0.51 -0.02 1 77 LEU 1.01 -0.29 1 79 ARG -2.38 0.39 1 80 THR 1.55 -0.17 1 83 VAL 6.56 -0.13 1 85 ASP 3.45 -0.25 1 86 TYR 5.70 -0.59 1 87 THR 6.35 -0.50 1 88 ARG 4.54 -0.23 1 91 ALA 3.56 -0.21 1 92 GLU 4.13 -0.28 1 93 ILE 6.13 -0.95 1 95 ARG -0.42 0.31 1 97 ILE 0.78 -0.18 1 100 ALA 4.09 -0.72 1 102 PHE 2.76 -0.54 1 104 ASP 4.07 -0.68 1 105 ALA 3.71 -0.20 1 108 ASP 3.56 -0.19 1 109 LYS -0.00 0.10 1 110 ASN 3.31 -0.09 1 111 MET -2.85 0.25 1 112 ILE 4.58 -0.57 1 114 LYS 1.40 -0.27 1 115 TYR -0.70 0.12 1 116 LEU -0.26 0.45 1 118 TYR 5.17 -0.13 1 120 GLU 3.61 -0.01 1 121 GLU 3.38 -0.38 1 122 ILE 3.34 0.06 1 123 ASN 2.26 -0.11 1 124 ARG 0.70 -0.09 1 125 MET 0.78 -0.19 1 126 ARG 2.55 -0.10 1 128 ALA 0.64 -0.47 1 129 ASP -1.44 0.09 1 130 VAL 2.00 -0.24 1 132 VAL -5.24 0.28 1 134 TYR 1.06 0.11 1 135 MET 0.07 -0.15 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr30246_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.15 _LACS_plot.Line_1_terminator_val_y_1 -1.55 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.34 _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 7.92 _LACS_plot.Line_2_terminator_val_y_2 2.84 _LACS_plot.Y_axis_chem_shift_offset -0.66 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 82 VAL -6.15 2.24 0 11 PHE -0.97 -0.71 1 14 LYS 4.11 0.75 1 15 ALA 3.81 3.19 1 17 GLU 3.18 1.93 1 18 VAL 7.09 0.00 1 19 ALA 3.18 2.77 1 20 LEU 1.06 0.93 1 21 LYS 6.18 2.27 1 22 VAL 5.14 3.10 1 23 GLN 2.67 3.38 1 24 ILE 6.10 0.26 1 25 ILE 5.92 1.11 1 26 ALA 4.01 3.78 1 28 PHE 3.11 4.16 1 29 ASP 5.85 1.70 1 30 ARG 4.72 4.03 1 32 LEU 5.11 0.43 1 33 VAL 6.67 2.80 1 34 LYS 4.27 -0.65 1 35 TRP 5.19 3.40 1 37 ARG 4.22 0.85 1 38 VAL 1.01 1.18 1 39 HIS -0.50 2.64 1 42 THR 0.35 -0.36 1 43 LEU -2.14 -0.61 1 45 THR 6.77 2.33 1 46 VAL 5.35 1.73 1 47 GLN 2.95 2.10 1 48 LYS 6.19 2.22 1 49 LYS 5.89 3.16 1 50 ALA 3.55 1.85 1 51 LEU 4.45 0.62 1 52 TYR 7.93 4.32 1 53 PHE 6.15 1.25 1 54 VAL 6.77 1.38 1 55 ASN 3.87 2.28 1 56 ARG 7.35 1.27 1 57 ARG 2.44 2.54 1 58 TYR 4.75 2.80 1 59 MET 5.52 1.12 1 60 GLN 4.01 3.81 1 61 THR 4.23 1.26 1 62 HIS 1.43 -0.36 1 63 TRP 3.42 0.48 1 64 ALA 4.28 2.90 1 65 ASN 3.75 3.89 1 66 TYR 3.73 3.02 1 67 MET 3.08 2.31 1 68 LEU 3.32 2.05 1 69 TRP 5.08 1.75 1 70 ILE 3.79 1.14 1 72 LYS 4.21 3.10 1 73 LYS 2.71 3.36 1 74 ILE 3.76 3.90 1 75 ASP 3.71 1.62 1 76 ALA 0.51 0.71 1 77 LEU 1.01 1.75 1 79 ARG -2.38 -1.70 1 83 VAL 6.56 1.50 1 85 ASP 3.45 1.57 1 86 TYR 5.70 2.37 1 87 THR 6.35 1.00 1 88 ARG 4.54 3.25 1 89 LEU 7.02 1.71 1 91 ALA 3.56 2.58 1 92 GLU 4.13 2.31 1 93 ILE 6.13 1.17 1 95 ARG -0.42 1.32 1 99 MET 1.11 0.57 1 100 ALA 4.09 0.30 1 101 TYR 2.80 1.85 1 102 PHE 2.76 1.43 1 103 TYR 5.30 2.21 1 104 ASP 4.07 1.52 1 105 ALA 3.71 2.32 1 107 LYS 3.74 3.88 1 108 ASP 3.56 1.80 1 109 LYS -0.00 -0.95 1 110 ASN 3.31 0.43 1 111 MET -2.85 -0.18 1 114 LYS 1.40 -0.55 1 115 TYR -0.70 -0.70 1 118 TYR 5.17 1.21 1 119 MET 2.58 1.09 1 120 GLU 3.61 1.55 1 121 GLU 3.38 2.72 1 122 ILE 3.34 2.09 1 123 ASN 2.26 2.44 1 124 ARG 0.70 1.02 1 125 MET 0.78 1.11 1 128 ALA 0.64 0.78 1 129 ASP -1.44 0.03 1 133 LYS -3.38 -0.92 1 134 TYR 1.06 -1.16 1 stop_ save_