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 bmr18467_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.12 _LACS_plot.Line_1_terminator_val_y_1 -2.46 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 0.85 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.56 _LACS_plot.Line_2_terminator_val_x_2 6.97 _LACS_plot.Line_2_terminator_val_y_2 5.36 _LACS_plot.Y_axis_chem_shift_offset -0.05 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 123 ASN -0.08 -1.90 0 127 HIS -7.12 -1.75 0 109 VAL -5.91 -4.85 0 10 LEU 2.83 2.27 1 11 LYS 3.18 2.85 1 13 ASP -4.61 -1.73 1 14 ASN 3.52 2.72 1 15 ARG 2.27 2.06 1 16 PHE -0.77 -1.73 1 17 SER 6.05 4.40 1 18 MET 4.91 4.31 1 19 LEU 4.20 3.02 1 20 VAL 6.97 5.67 1 21 ALA 4.02 2.62 1 22 ALA 3.55 2.41 1 23 ILE 5.31 4.92 1 24 GLN 4.66 2.87 1 25 SER 4.53 3.75 1 26 ALA -1.11 -0.30 1 28 LEU -3.09 -0.33 1 29 THR 6.12 5.02 1 30 GLU 4.44 3.14 1 31 THR 6.07 5.41 1 32 LEU 1.56 0.58 1 33 ASN -3.01 -0.96 1 34 ARG -1.52 -0.41 1 35 GLU 1.19 1.10 1 37 VAL -3.61 -2.88 1 38 TYR -4.81 -1.14 1 39 THR -0.60 0.37 1 40 VAL -2.09 -1.02 1 41 PHE 1.36 0.02 1 42 ALA -6.17 -1.47 1 44 THR -2.68 -0.98 1 45 ASN 4.56 2.99 1 46 GLU 4.18 3.53 1 47 ALA 2.02 2.39 1 48 PHE 4.96 3.76 1 49 ARG 3.18 2.36 1 50 ALA 0.15 -0.09 1 51 LEU 0.90 0.40 1 54 ARG 4.29 3.04 1 55 GLU 1.41 1.31 1 56 TRP 0.95 1.96 1 58 ARG 4.02 3.31 1 59 LEU 3.32 2.89 1 60 LEU 2.64 1.67 1 62 ASP -2.16 -1.90 1 63 ALA 3.28 3.16 1 64 LYS 4.20 3.26 1 65 GLU 2.58 2.08 1 66 LEU 4.26 2.78 1 67 ALA 4.55 3.42 1 68 ASN 4.21 3.91 1 69 ILE 3.32 3.07 1 70 LEU 3.70 3.36 1 71 LYS 5.21 4.55 1 72 TYR 0.95 1.12 1 73 HIS 4.72 3.88 1 74 ILE -3.75 -1.60 1 76 ASP -0.42 -0.49 1 77 GLU -5.62 -2.10 1 78 ILE 1.66 1.25 1 79 LEU -2.91 -1.22 1 80 VAL -3.28 -2.69 1 81 SER 6.24 4.56 1 84 ILE 1.55 1.78 1 86 ALA 0.93 1.58 1 87 LEU -0.25 1.00 1 88 VAL -3.65 -0.77 1 90 LEU -5.60 -1.98 1 91 LYS 2.70 2.11 1 92 SER -3.56 -0.07 1 93 LEU 3.23 2.14 1 94 GLN 2.59 0.84 1 96 ASP 0.14 0.32 1 97 LYS -0.60 0.07 1 98 LEU -3.95 -1.20 1 99 GLU -1.53 -0.89 1 100 VAL -1.09 -1.12 1 101 SER -5.37 -1.76 1 102 LEU -3.75 -0.78 1 103 LYS -2.42 -0.49 1 104 ASN 3.35 1.62 1 105 ASN 2.70 2.05 1 106 VAL -1.61 -0.09 1 107 VAL 0.16 -0.49 1 108 SER -3.96 -1.27 1 110 ASN 3.87 0.90 1 111 LYS 4.75 2.20 1 112 GLU -1.53 -1.22 1 114 VAL 0.58 0.15 1 115 ALA 0.97 1.49 1 116 GLU -3.12 -0.77 1 118 ASP 3.96 0.72 1 119 ILE 3.89 1.71 1 120 MET 1.13 -0.46 1 121 ALA -6.52 -2.51 1 122 THR 4.13 2.72 1 125 VAL -5.74 -3.67 1 126 VAL -2.95 -1.67 1 128 VAL 2.45 2.53 1 129 ILE -4.62 -0.88 1 130 THR 0.60 -0.42 1 131 ASN -4.70 -0.52 1 132 VAL 0.67 0.22 1 134 GLN -2.71 -0.66 1 135 ALA 0.99 1.27 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18467_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.12 _LACS_plot.Line_1_terminator_val_y_1 4.66 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -1.14 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.44 _LACS_plot.Line_2_terminator_val_x_2 6.97 _LACS_plot.Line_2_terminator_val_y_2 -1.61 _LACS_plot.Y_axis_chem_shift_offset -0.05 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 123 ASN -0.08 -1.82 0 127 HIS -7.12 5.37 0 109 VAL -5.91 1.06 0 10 LEU 2.83 -0.56 1 11 LYS 3.18 -0.33 1 13 ASP -4.61 2.88 1 14 ASN 3.52 -0.80 1 15 ARG 2.27 -0.21 1 16 PHE -0.77 -0.96 1 17 SER 6.05 -1.65 1 18 MET 4.91 -0.60 1 19 LEU 4.20 -1.18 1 20 VAL 6.97 -1.30 1 21 ALA 4.02 -1.40 1 22 ALA 3.55 -1.14 1 23 ILE 5.31 -0.39 1 24 GLN 4.66 -1.79 1 25 SER 4.53 -0.78 1 26 ALA -1.11 0.81 1 28 LEU -3.09 2.76 1 29 THR 6.12 -1.10 1 30 GLU 4.44 -1.30 1 31 THR 6.07 -0.66 1 32 LEU 1.56 -0.98 1 33 ASN -3.01 2.05 1 34 ARG -1.52 1.11 1 35 GLU 1.19 -0.09 1 37 VAL -3.61 0.73 1 38 TYR -4.81 3.67 1 39 THR -0.60 0.97 1 40 VAL -2.09 1.07 1 41 PHE 1.36 -1.34 1 42 ALA -6.17 4.70 1 44 THR -2.68 1.70 1 45 ASN 4.56 -1.57 1 46 GLU 4.18 -0.65 1 47 ALA 2.02 0.37 1 48 PHE 4.96 -1.20 1 49 ARG 3.18 -0.82 1 50 ALA 0.15 -0.24 1 51 LEU 0.90 -0.50 1 54 ARG 4.29 -1.25 1 55 GLU 1.41 -0.10 1 56 TRP 0.95 1.01 1 58 ARG 4.02 -0.71 1 59 LEU 3.32 -0.43 1 60 LEU 2.64 -0.97 1 62 ASP -2.16 0.26 1 63 ALA 3.28 -0.12 1 64 LYS 4.20 -0.94 1 65 GLU 2.58 -0.50 1 66 LEU 4.26 -1.48 1 67 ALA 4.55 -1.13 1 68 ASN 4.21 -0.30 1 69 ILE 3.32 -0.25 1 70 LEU 3.70 -0.34 1 71 LYS 5.21 -0.66 1 72 TYR 0.95 0.17 1 73 HIS 4.72 -0.84 1 74 ILE -3.75 2.15 1 76 ASP -0.42 -0.07 1 77 GLU -5.62 3.52 1 78 ILE 1.66 -0.41 1 79 LEU -2.91 1.69 1 80 VAL -3.28 0.59 1 81 SER 6.24 -1.68 1 84 ILE 1.55 0.23 1 86 ALA 0.93 0.65 1 87 LEU -0.25 1.25 1 88 VAL -3.65 2.88 1 90 LEU -5.60 3.62 1 91 LYS 2.70 -0.59 1 92 SER -3.56 3.49 1 93 LEU 3.23 -1.09 1 94 GLN 2.59 -1.75 1 96 ASP 0.14 0.18 1 97 LYS -0.60 0.67 1 98 LEU -3.95 2.75 1 99 GLU -1.53 0.64 1 100 VAL -1.09 -0.03 1 101 SER -5.37 3.61 1 102 LEU -3.75 2.97 1 103 LYS -2.42 1.93 1 104 ASN 3.35 -1.73 1 105 ASN 2.70 -0.65 1 106 VAL -1.61 1.52 1 107 VAL 0.16 -0.65 1 108 SER -3.96 2.69 1 110 ASN 3.87 -2.97 1 111 LYS 4.75 -2.55 1 112 GLU -1.53 0.31 1 114 VAL 0.58 -0.43 1 115 ALA 0.97 0.52 1 116 GLU -3.12 2.35 1 118 ASP 3.96 -3.24 1 119 ILE 3.89 -2.18 1 120 MET 1.13 -1.59 1 121 ALA -6.52 4.01 1 122 THR 4.13 -1.41 1 125 VAL -5.74 2.07 1 126 VAL -2.95 1.28 1 128 VAL 2.45 0.08 1 129 ILE -4.62 3.74 1 130 THR 0.60 -1.02 1 131 ASN -4.70 4.18 1 132 VAL 0.67 -0.45 1 134 GLN -2.71 2.05 1 135 ALA 0.99 0.28 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18467_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.12 _LACS_plot.Line_1_terminator_val_y_1 0.73 _LACS_plot.Line_1_terminator_val_x_2 1.99 _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 0.26 _LACS_plot.Line_2_terminator_val_x_2 6.97 _LACS_plot.Line_2_terminator_val_y_2 -0.65 _LACS_plot.Y_axis_chem_shift_offset -0.05 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 42 ALA -6.17 -0.12 0 16 PHE -0.77 1.17 0 10 LEU 2.83 -0.30 1 11 LYS 3.18 -0.36 1 13 ASP -4.61 0.35 1 14 ASN 3.52 -0.29 1 15 ARG 2.27 -0.20 1 17 SER 6.05 -0.41 1 18 MET 4.91 -0.36 1 19 LEU 4.20 -0.45 1 20 VAL 6.97 -0.80 1 21 ALA 4.02 -0.15 1 22 ALA 3.55 -0.38 1 23 ILE 5.31 -0.90 1 24 GLN 4.66 -0.17 1 26 ALA -1.11 -0.01 1 28 LEU -3.09 0.11 1 29 THR 6.12 -0.81 1 30 GLU 4.44 -0.36 1 31 THR 6.07 -0.59 1 32 LEU 1.56 -0.42 1 33 ASN -3.01 0.23 1 34 ARG -1.52 0.19 1 35 GLU 1.19 -0.11 1 37 VAL -3.61 0.01 1 38 TYR -4.81 0.64 1 39 THR -0.60 0.44 1 40 VAL -2.09 0.40 1 41 PHE 1.36 0.71 1 44 THR -2.68 0.07 1 45 ASN 4.56 -0.12 1 46 GLU 4.18 -0.55 1 47 ALA 2.02 -0.36 1 48 PHE 4.96 -0.70 1 50 ALA 0.15 -0.01 1 51 LEU 0.90 -0.14 1 55 GLU 1.41 0.22 1 56 TRP 0.95 0.13 1 59 LEU 3.32 -0.44 1 60 LEU 2.64 -0.70 1 62 ASP -2.16 0.21 1 63 ALA 3.28 -0.30 1 64 LYS 4.20 -0.20 1 65 GLU 2.58 -0.14 1 66 LEU 4.26 -0.22 1 67 ALA 4.55 -0.42 1 68 ASN 4.21 -0.26 1 69 ILE 3.32 -0.05 1 70 LEU 3.70 -0.23 1 71 LYS 5.21 -0.39 1 72 TYR 0.95 0.05 1 73 HIS 4.72 -0.52 1 74 ILE -3.75 1.07 1 76 ASP -0.42 0.12 1 77 GLU -5.62 0.12 1 78 ILE 1.66 -0.60 1 79 LEU -2.91 0.44 1 80 VAL -3.28 0.65 1 81 SER 6.24 -0.64 1 84 ILE 1.55 -0.35 1 86 ALA 0.93 -0.01 1 87 LEU -0.25 0.38 1 88 VAL -3.65 0.19 1 90 LEU -5.60 0.23 1 91 LYS 2.70 -0.26 1 92 SER -3.56 1.11 1 93 LEU 3.23 -0.04 1 94 GLN 2.59 -0.09 1 96 ASP 0.14 0.22 1 97 LYS -0.60 0.71 1 98 LEU -3.95 0.06 1 99 GLU -1.53 0.31 1 100 VAL -1.09 0.93 1 101 SER -5.37 0.47 1 102 LEU -3.75 0.71 1 103 LYS -2.42 0.14 1 104 ASN 3.35 -0.44 1 105 ASN 2.70 -0.57 1 106 VAL -1.61 0.17 1 107 VAL 0.16 0.50 1 108 SER -3.96 0.89 1 109 VAL -5.91 0.68 1 110 ASN 3.87 -0.47 1 111 LYS 4.75 -0.66 1 112 GLU -1.53 0.13 1 114 VAL 0.58 0.15 1 115 ALA 0.97 0.00 1 116 GLU -3.12 0.24 1 118 ASP 3.96 -0.76 1 119 ILE 3.89 -0.13 1 120 MET 1.13 0.12 1 121 ALA -6.52 0.58 1 122 THR 4.13 -0.30 1 123 ASN -0.08 0.29 1 125 VAL -5.74 0.76 1 126 VAL -2.95 0.50 1 127 HIS -7.12 0.76 1 128 VAL 2.45 0.39 1 129 ILE -4.62 0.95 1 130 THR 0.60 0.32 1 131 ASN -4.70 0.01 1 132 VAL 0.67 -0.21 1 134 GLN -2.71 0.02 1 135 ALA 0.99 -0.58 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18467_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.12 _LACS_plot.Line_1_terminator_val_y_1 -2.94 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 0.27 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.31 _LACS_plot.Line_2_terminator_val_x_2 6.97 _LACS_plot.Line_2_terminator_val_y_2 2.22 _LACS_plot.Y_axis_chem_shift_offset 0.48 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 92 SER -3.56 3.41 0 127 HIS -7.12 1.53 0 10 LEU 2.83 1.49 1 11 LYS 3.18 1.42 1 14 ASN 3.52 1.51 1 15 ARG 2.27 -0.19 1 16 PHE -0.77 0.62 1 17 SER 6.05 4.03 1 18 MET 4.91 1.20 1 19 LEU 4.20 0.81 1 20 VAL 6.97 1.73 1 21 ALA 4.02 2.80 1 22 ALA 3.55 0.67 1 23 ILE 5.31 1.62 1 24 GLN 4.66 4.20 1 25 SER 4.53 1.08 1 26 ALA -1.11 -0.96 1 28 LEU -3.09 -1.81 1 29 THR 6.12 0.77 1 30 GLU 4.44 2.75 1 31 THR 6.07 1.16 1 32 LEU 1.56 -1.44 1 33 ASN -3.01 -0.38 1 34 ARG -1.52 -0.95 1 35 GLU 1.19 -0.32 1 37 VAL -3.61 -3.27 1 38 TYR -4.81 0.34 1 39 THR -0.60 -1.27 1 40 VAL -2.09 -2.34 1 41 PHE 1.36 -2.42 1 44 THR -2.68 1.62 1 45 ASN 4.56 2.54 1 46 GLU 4.18 1.68 1 47 ALA 2.02 2.47 1 48 PHE 4.96 3.05 1 49 ARG 3.18 -0.34 1 50 ALA 0.15 0.96 1 54 ARG 4.29 2.56 1 56 TRP 0.95 0.74 1 59 LEU 3.32 0.69 1 60 LEU 2.64 1.22 1 62 ASP -2.16 -2.39 1 63 ALA 3.28 2.31 1 64 LYS 4.20 2.69 1 65 GLU 2.58 3.08 1 66 LEU 4.26 1.09 1 67 ALA 4.55 1.24 1 69 ILE 3.32 3.37 1 70 LEU 3.70 2.03 1 71 LYS 5.21 1.09 1 72 TYR 0.95 -3.94 1 73 HIS 4.72 -0.43 1 74 ILE -3.75 -0.77 1 76 ASP -0.42 -1.54 1 78 ILE 1.66 -1.59 1 79 LEU -2.91 -3.44 1 80 VAL -3.28 2.11 1 81 SER 6.24 2.41 1 84 ILE 1.55 -0.77 1 86 ALA 0.93 -0.46 1 87 LEU -0.25 -2.02 1 88 VAL -3.65 -2.16 1 90 LEU -5.60 -2.64 1 91 LYS 2.70 -1.97 1 93 LEU 3.23 0.92 1 94 GLN 2.59 0.08 1 96 ASP 0.14 0.97 1 97 LYS -0.60 -0.03 1 98 LEU -3.95 -1.46 1 99 GLU -1.53 -1.47 1 100 VAL -1.09 -2.54 1 101 SER -5.37 -2.67 1 102 LEU -3.75 -1.83 1 104 ASN 3.35 -1.04 1 105 ASN 2.70 -1.45 1 106 VAL -1.61 0.03 1 107 VAL 0.16 -1.60 1 108 SER -3.96 -2.66 1 109 VAL -5.91 -2.37 1 110 ASN 3.87 0.17 1 111 LYS 4.75 -1.03 1 114 VAL 0.58 0.26 1 115 ALA 0.97 0.55 1 118 ASP 3.96 -1.33 1 119 ILE 3.89 -0.53 1 120 MET 1.13 -1.48 1 121 ALA -6.52 0.11 1 122 THR 4.13 1.62 1 123 ASN -0.08 -1.94 1 125 VAL -5.74 -5.41 1 126 VAL -2.95 -3.42 1 128 VAL 2.45 0.05 1 129 ILE -4.62 -1.21 1 130 THR 0.60 -1.72 1 131 ASN -4.70 -2.71 1 132 VAL 0.67 0.61 1 stop_ save_