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 bmr5689_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.84 _LACS_plot.Line_1_terminator_val_y_1 -3.37 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.06 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.52 _LACS_plot.Line_2_terminator_val_x_2 8.34 _LACS_plot.Line_2_terminator_val_y_2 6.77 _LACS_plot.Y_axis_chem_shift_offset -0.07 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 122 ILE 5.12 0.65 0 10 ASN 2.61 2.54 1 11 ASN 4.00 4.15 1 12 PHE 2.91 3.13 1 14 LYS 4.15 3.52 1 15 ALA 0.36 -0.91 1 16 MET 3.88 3.57 1 17 ASP 4.97 3.48 1 18 GLN 3.92 3.06 1 20 LYS 5.17 4.20 1 21 ASP 2.93 2.88 1 22 GLU 2.20 2.73 1 23 LEU -0.89 -1.03 1 24 SER 2.19 -0.18 1 25 LEU -1.15 -0.53 1 27 ASP 4.52 3.57 1 28 SER 4.43 2.56 1 29 VAL 3.63 2.66 1 30 VAL 5.57 4.49 1 31 ALA 3.31 2.33 1 32 ASP 1.72 2.69 1 33 LEU 6.39 3.22 1 34 TYR 3.97 2.26 1 35 ASN 0.05 0.24 1 36 PHE 2.29 3.55 1 37 TRP -0.88 -0.82 1 38 LYS 1.55 1.23 1 39 ASP 3.90 3.35 1 40 ASP -0.14 -1.38 1 41 TYR 0.68 1.54 1 42 VAL -3.34 -1.47 1 43 MET -1.86 0.24 1 44 THR -1.56 -0.30 1 45 ASP -2.10 -0.49 1 46 ARG 4.39 4.19 1 47 LEU 3.49 2.71 1 48 ALA 4.07 2.93 1 51 ALA 4.20 3.49 1 52 ILE 4.19 4.13 1 53 ASN -2.02 -0.19 1 55 LEU -0.07 -0.18 1 56 ALA 1.82 1.83 1 57 THR 6.15 5.02 1 58 LYS 4.60 1.98 1 59 LEU -2.27 -0.69 1 60 ASP 2.20 1.19 1 61 VAL 1.17 0.16 1 62 VAL -6.84 -4.07 1 63 ASP 1.10 0.30 1 65 ASP -0.62 -0.04 1 67 ASN -2.02 -1.23 1 68 LEU 0.82 1.29 1 69 HIS -2.60 -0.73 1 70 HIS 4.10 5.77 1 72 ASN 4.07 2.04 1 73 ALA 3.15 3.22 1 74 LYS 4.79 4.35 1 75 ASP 3.40 3.47 1 76 PHE 4.52 3.84 1 77 ALA 4.22 2.04 1 78 MET 3.60 2.85 1 79 LYS 3.95 2.81 1 80 HIS -0.08 0.66 1 82 ALA -0.90 -0.55 1 83 ASP -1.76 -1.75 1 84 GLU 4.16 3.97 1 85 THR 5.75 4.39 1 86 MET 3.70 3.62 1 87 ALA 2.14 3.10 1 88 GLN 3.29 2.40 1 89 GLN 4.71 3.80 1 90 LEU 3.54 3.74 1 91 VAL 6.48 5.01 1 92 ASP 4.74 3.60 1 93 ILE 4.10 4.10 1 94 ILE 7.67 5.95 1 95 HIS 2.61 3.80 1 98 GLU 3.14 3.18 1 99 LYS 2.76 1.93 1 100 SER -0.02 0.29 1 101 ALA 0.65 0.06 1 104 ASN -3.16 0.38 1 105 ASP 1.06 0.92 1 106 ASP -2.28 -1.82 1 107 LYS 3.39 2.54 1 109 MET 2.06 0.73 1 110 LYS 3.18 2.52 1 111 THR 8.34 6.14 1 112 ILE 6.26 5.32 1 113 ASP 4.17 3.70 1 114 VAL 6.17 5.53 1 115 ALA 4.42 3.38 1 116 MET 1.23 0.85 1 118 PHE 3.63 3.41 1 119 LYS 3.37 4.09 1 120 LYS 4.50 3.69 1 121 GLU 2.48 1.94 1 123 HIS 5.92 5.46 1 124 LYS 4.04 3.29 1 125 LEU 0.89 0.00 1 126 ASN 2.89 1.03 1 127 TRP -1.63 -0.93 1 128 VAL 2.53 3.32 1 130 ASN 0.09 -0.27 1 131 MET 0.32 -0.42 1 132 ASP 0.41 0.42 1 133 LEU -0.13 0.06 1 134 VAL 0.40 0.04 1 135 ILE 0.13 0.00 1 137 GLU -0.91 -0.26 1 138 VAL 0.34 0.06 1 139 LEU -0.35 -0.34 1 140 ALA -1.12 -0.38 1 141 GLU -0.71 -0.18 1 142 VAL 0.79 1.24 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5689_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.84 _LACS_plot.Line_1_terminator_val_y_1 3.47 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.94 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.48 _LACS_plot.Line_2_terminator_val_x_2 8.34 _LACS_plot.Line_2_terminator_val_y_2 -1.57 _LACS_plot.Y_axis_chem_shift_offset -0.07 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 122 ILE 5.12 -4.47 0 10 ASN 2.61 -0.07 1 11 ASN 4.00 0.15 1 12 PHE 2.91 0.22 1 14 LYS 4.15 -0.63 1 15 ALA 0.36 -1.27 1 16 MET 3.88 -0.31 1 17 ASP 4.97 -1.49 1 18 GLN 3.92 -0.86 1 20 LYS 5.17 -0.97 1 21 ASP 2.93 -0.05 1 22 GLU 2.20 0.53 1 23 LEU -0.89 -0.14 1 24 SER 2.19 -2.37 1 25 LEU -1.15 0.62 1 27 ASP 4.52 -0.95 1 28 SER 4.43 -1.87 1 29 VAL 3.63 -0.97 1 30 VAL 5.57 -1.08 1 31 ALA 3.31 -0.98 1 32 ASP 1.72 0.97 1 33 LEU 6.39 -3.17 1 34 TYR 3.97 -1.71 1 35 ASN 0.05 0.19 1 36 PHE 2.29 1.26 1 37 TRP -0.88 0.06 1 38 LYS 1.55 -0.32 1 39 ASP 3.90 -0.55 1 40 ASP -0.14 -1.24 1 41 TYR 0.68 0.86 1 42 VAL -3.34 1.87 1 43 MET -1.86 2.10 1 44 THR -1.56 1.26 1 45 ASP -2.10 1.61 1 46 ARG 4.39 -0.20 1 47 LEU 3.49 -0.78 1 48 ALA 4.07 -1.14 1 51 ALA 4.20 -0.71 1 52 ILE 4.19 -0.06 1 53 ASN -2.02 1.83 1 55 LEU -0.07 -0.11 1 56 ALA 1.82 0.01 1 57 THR 6.15 -1.13 1 58 LYS 4.60 -2.62 1 59 LEU -2.27 1.58 1 60 ASP 2.20 -1.01 1 61 VAL 1.17 -1.01 1 62 VAL -6.84 2.77 1 63 ASP 1.10 -0.80 1 65 ASP -0.62 0.58 1 67 ASN -2.02 0.79 1 68 LEU 0.82 0.47 1 69 HIS -2.60 1.87 1 70 HIS 4.10 1.67 1 72 ASN 4.07 -2.03 1 73 ALA 3.15 0.07 1 74 LYS 4.79 -0.44 1 75 ASP 3.40 0.07 1 76 PHE 4.52 -0.68 1 77 ALA 4.22 -2.18 1 78 MET 3.60 -0.75 1 79 LYS 3.95 -1.14 1 80 HIS -0.08 0.74 1 82 ALA -0.90 0.35 1 83 ASP -1.76 0.01 1 84 GLU 4.16 -0.19 1 85 THR 5.75 -1.36 1 86 MET 3.70 -0.08 1 87 ALA 2.14 0.96 1 88 GLN 3.29 -0.89 1 89 GLN 4.71 -0.91 1 90 LEU 3.54 0.20 1 91 VAL 6.48 -1.47 1 92 ASP 4.74 -1.14 1 93 ILE 4.10 0.00 1 94 ILE 7.67 -1.72 1 95 HIS 2.61 1.19 1 98 GLU 3.14 0.04 1 99 LYS 2.76 -0.83 1 100 SER -0.02 0.31 1 101 ALA 0.65 -0.59 1 104 ASN -3.16 3.54 1 105 ASP 1.06 -0.14 1 106 ASP -2.28 0.46 1 107 LYS 3.39 -0.85 1 109 MET 2.06 -1.33 1 110 LYS 3.18 -0.66 1 111 THR 8.34 -2.20 1 112 ILE 6.26 -0.94 1 113 ASP 4.17 -0.47 1 114 VAL 6.17 -0.64 1 115 ALA 4.42 -1.04 1 116 MET 1.23 -0.38 1 118 PHE 3.63 -0.22 1 119 LYS 3.37 0.72 1 120 LYS 4.50 -0.81 1 121 GLU 2.48 -0.54 1 123 HIS 5.92 -0.46 1 124 LYS 4.04 -0.75 1 125 LEU 0.89 -0.89 1 126 ASN 2.89 -1.86 1 127 TRP -1.63 0.70 1 128 VAL 2.53 0.79 1 130 ASN 0.09 -0.36 1 131 MET 0.32 -0.74 1 132 ASP 0.41 0.01 1 133 LEU -0.13 0.19 1 134 VAL 0.40 -0.36 1 135 ILE 0.13 -0.13 1 137 GLU -0.91 0.65 1 138 VAL 0.34 -0.28 1 139 LEU -0.35 0.01 1 140 ALA -1.12 0.74 1 141 GLU -0.71 0.53 1 142 VAL 0.79 0.45 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5689_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.84 _LACS_plot.Line_1_terminator_val_y_1 0.25 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.20 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.03 _LACS_plot.Line_2_terminator_val_x_2 8.34 _LACS_plot.Line_2_terminator_val_y_2 -0.55 _LACS_plot.Y_axis_chem_shift_offset 0.09 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 69 HIS -2.60 -0.51 0 78 MET 3.60 0.35 0 42 VAL -3.34 -0.45 0 62 VAL -6.84 0.06 0 10 ASN 2.61 -0.24 1 11 ASN 4.00 -0.32 1 12 PHE 2.91 -0.43 1 14 LYS 4.15 -0.20 1 15 ALA 0.36 0.47 1 16 MET 3.88 -0.50 1 17 ASP 4.97 -0.36 1 18 GLN 3.92 -0.10 1 20 LYS 5.17 -0.62 1 21 ASP 2.93 -0.12 1 22 GLU 2.20 -0.36 1 23 LEU -0.89 0.08 1 24 SER 2.19 -0.32 1 25 LEU -1.15 -0.30 1 27 ASP 4.52 -0.42 1 28 SER 4.43 -0.35 1 29 VAL 3.63 -0.18 1 30 VAL 5.57 -0.71 1 31 ALA 3.31 -0.23 1 32 ASP 1.72 -0.08 1 33 LEU 6.39 -0.28 1 34 TYR 3.97 -0.27 1 35 ASN 0.05 0.02 1 36 PHE 2.29 0.08 1 37 TRP -0.88 -0.02 1 38 LYS 1.55 0.02 1 39 ASP 3.90 -0.44 1 40 ASP -0.14 -0.17 1 41 TYR 0.68 -0.35 1 43 MET -1.86 -0.38 1 44 THR -1.56 0.06 1 45 ASP -2.10 0.05 1 46 ARG 4.39 -0.42 1 47 LEU 3.49 -0.39 1 48 ALA 4.07 -0.32 1 51 ALA 4.20 -0.53 1 52 ILE 4.19 -0.15 1 53 ASN -2.02 -0.13 1 55 LEU -0.07 0.15 1 56 ALA 1.82 -0.57 1 57 THR 6.15 -0.43 1 58 LYS 4.60 -0.26 1 59 LEU -2.27 -0.10 1 60 ASP 2.20 -0.17 1 61 VAL 1.17 0.25 1 63 ASP 1.10 -0.14 1 65 ASP -0.62 0.13 1 67 ASN -2.02 0.12 1 68 LEU 0.82 -0.07 1 70 HIS 4.10 -0.79 1 72 ASN 4.07 -0.20 1 73 ALA 3.15 -0.14 1 74 LYS 4.79 -0.54 1 75 ASP 3.40 -0.26 1 76 PHE 4.52 -0.42 1 77 ALA 4.22 -0.37 1 79 LYS 3.95 -0.41 1 80 HIS -0.08 -0.07 1 82 ALA -0.90 0.06 1 83 ASP -1.76 0.02 1 84 GLU 4.16 -0.28 1 85 THR 5.75 -0.36 1 86 MET 3.70 -0.20 1 87 ALA 2.14 -0.47 1 88 GLN 3.29 -0.47 1 89 GLN 4.71 -0.08 1 90 LEU 3.54 -0.10 1 91 VAL 6.48 -0.80 1 92 ASP 4.74 -0.13 1 93 ILE 4.10 -0.29 1 94 ILE 7.67 -0.80 1 95 HIS 2.61 -0.22 1 98 GLU 3.14 -0.38 1 99 LYS 2.76 -0.21 1 100 SER -0.02 -0.04 1 101 ALA 0.65 -0.05 1 104 ASN -3.16 -0.18 1 105 ASP 1.06 -0.07 1 106 ASP -2.28 0.13 1 107 LYS 3.39 -0.19 1 109 MET 2.06 -0.09 1 110 LYS 3.18 0.18 1 111 THR 8.34 -0.13 1 112 ILE 6.26 -0.34 1 113 ASP 4.17 -0.13 1 114 VAL 6.17 -0.61 1 115 ALA 4.42 -0.18 1 116 MET 1.23 0.20 1 118 PHE 3.63 -0.57 1 119 LYS 3.37 -0.40 1 120 LYS 4.50 -0.24 1 121 GLU 2.48 -0.24 1 122 ILE 5.12 -0.59 1 123 HIS 5.92 -0.50 1 124 LYS 4.04 -0.35 1 125 LEU 0.89 -0.55 1 126 ASN 2.89 -0.26 1 127 TRP -1.63 -0.27 1 128 VAL 2.53 -0.02 1 130 ASN 0.09 -0.12 1 131 MET 0.32 0.02 1 132 ASP 0.41 -0.08 1 133 LEU -0.13 -0.01 1 134 VAL 0.40 -0.04 1 135 ILE 0.13 -0.01 1 137 GLU -0.91 -0.06 1 138 VAL 0.34 -0.05 1 139 LEU -0.35 0.04 1 140 ALA -1.12 0.01 1 141 GLU -0.71 -0.05 1 142 VAL 0.79 -0.07 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5689_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.84 _LACS_plot.Line_1_terminator_val_y_1 -3.33 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.83 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.93 _LACS_plot.Line_2_terminator_val_x_2 8.34 _LACS_plot.Line_2_terminator_val_y_2 3.32 _LACS_plot.Y_axis_chem_shift_offset 0.11 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 142 VAL 0.79 4.59 0 62 VAL -6.84 -1.60 0 10 ASN 2.61 0.16 1 11 ASN 4.00 1.74 1 12 PHE 2.91 -0.01 1 14 LYS 4.15 0.76 1 15 ALA 0.36 -0.99 1 16 MET 3.88 0.97 1 17 ASP 4.97 2.17 1 18 GLN 3.92 2.80 1 20 LYS 5.17 1.55 1 21 ASP 2.93 -0.62 1 22 GLU 2.20 2.19 1 23 LEU -0.89 -1.76 1 24 SER 2.19 0.90 1 25 LEU -1.15 -0.72 1 27 ASP 4.52 2.32 1 28 SER 4.43 2.12 1 29 VAL 3.63 1.26 1 30 VAL 5.57 0.30 1 31 ALA 3.31 3.11 1 32 ASP 1.72 1.96 1 33 LEU 6.39 -0.44 1 34 TYR 3.97 1.06 1 35 ASN 0.05 -1.53 1 36 PHE 2.29 -0.83 1 37 TRP -0.88 0.09 1 38 LYS 1.55 3.55 1 39 ASP 3.90 0.41 1 40 ASP -0.14 -0.86 1 41 TYR 0.68 -0.94 1 42 VAL -3.34 -3.38 1 43 MET -1.86 -1.99 1 44 THR -1.56 -0.77 1 45 ASP -2.10 0.44 1 46 ARG 4.39 1.68 1 47 LEU 3.49 2.10 1 48 ALA 4.07 1.90 1 51 ALA 4.20 0.66 1 52 ILE 4.19 1.90 1 53 ASN -2.02 0.34 1 55 LEU -0.07 -1.88 1 56 ALA 1.82 1.52 1 57 THR 6.15 3.80 1 58 LYS 4.60 1.52 1 59 LEU -2.27 -2.04 1 60 ASP 2.20 -0.97 1 61 VAL 1.17 -1.57 1 63 ASP 1.10 1.39 1 65 ASP -0.62 -0.05 1 67 ASN -2.02 0.00 1 68 LEU 0.82 -0.66 1 69 HIS -2.60 -0.34 1 70 HIS 4.10 3.15 1 72 ASN 4.07 4.23 1 73 ALA 3.15 0.41 1 74 LYS 4.79 1.61 1 75 ASP 3.40 1.90 1 76 PHE 4.52 0.82 1 77 ALA 4.22 1.76 1 78 MET 3.60 3.29 1 79 LYS 3.95 0.70 1 80 HIS -0.08 0.19 1 82 ALA -0.90 -1.10 1 83 ASP -1.76 -0.95 1 84 GLU 4.16 1.62 1 85 THR 5.75 2.10 1 86 MET 3.70 1.49 1 87 ALA 2.14 0.72 1 88 GLN 3.29 1.22 1 89 GLN 4.71 2.93 1 90 LEU 3.54 0.98 1 91 VAL 6.48 0.78 1 92 ASP 4.74 4.45 1 93 ILE 4.10 2.76 1 94 ILE 7.67 1.14 1 95 HIS 2.61 3.77 1 98 GLU 3.14 2.65 1 99 LYS 2.76 1.41 1 100 SER -0.02 -0.67 1 101 ALA 0.65 -1.11 1 104 ASN -3.16 -0.58 1 105 ASP 1.06 -0.61 1 106 ASP -2.28 0.34 1 107 LYS 3.39 3.09 1 109 MET 2.06 2.98 1 110 LYS 3.18 1.68 1 111 THR 8.34 0.68 1 112 ILE 6.26 0.66 1 113 ASP 4.17 4.18 1 114 VAL 6.17 1.01 1 115 ALA 4.42 2.06 1 116 MET 1.23 2.39 1 118 PHE 3.63 0.04 1 119 LYS 3.37 1.46 1 120 LYS 4.50 3.18 1 121 GLU 2.48 2.06 1 122 ILE 5.12 2.95 1 123 HIS 5.92 5.16 1 124 LYS 4.04 1.59 1 125 LEU 0.89 -1.54 1 126 ASN 2.89 0.63 1 127 TRP -1.63 -0.74 1 128 VAL 2.53 1.77 1 130 ASN 0.09 0.15 1 131 MET 0.32 -0.26 1 132 ASP 0.41 -0.46 1 133 LEU -0.13 -0.79 1 134 VAL 0.40 -0.43 1 135 ILE 0.13 -0.01 1 137 GLU -0.91 -0.41 1 138 VAL 0.34 -0.48 1 139 LEU -0.35 -1.08 1 140 ALA -1.12 -0.64 1 141 GLU -0.71 -1.17 1 stop_ save_