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 bmr30156_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -5.91 _LACS_plot.Line_1_terminator_val_y_1 -2.43 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 0.47 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.50 _LACS_plot.Line_2_terminator_val_x_2 7.51 _LACS_plot.Line_2_terminator_val_y_2 5.91 _LACS_plot.Y_axis_chem_shift_offset 0.10 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 97 ASN -5.91 -1.66 0 10 ALA 4.32 3.16 1 11 GLU 3.65 3.05 1 12 PHE 3.57 1.68 1 13 LYS 5.03 3.94 1 14 GLU 3.71 3.05 1 15 ALA 3.83 3.07 1 16 PHE 4.51 4.60 1 17 SER 3.57 3.22 1 18 LEU 2.92 2.04 1 19 PHE -0.39 1.85 1 20 ASP 0.12 -1.67 1 21 LYS 2.72 2.15 1 22 ASP 0.17 -1.24 1 24 ASP 0.29 -0.29 1 26 THR -5.08 -2.08 1 27 ILE -1.25 0.23 1 28 THR -5.20 -2.38 1 29 THR 6.36 4.60 1 30 LYS 3.56 3.01 1 31 GLU 3.35 3.06 1 32 LEU 3.60 3.31 1 34 THR 6.30 5.20 1 35 VAL 5.80 4.38 1 36 MET 5.69 3.67 1 37 ARG 4.20 3.17 1 38 SER 4.18 3.14 1 39 LEU -0.11 -0.52 1 41 GLN -2.50 -1.19 1 42 ASN -0.63 -0.02 1 44 THR -2.58 -1.14 1 45 GLU 4.41 3.58 1 46 ALA 3.44 2.63 1 47 GLU 2.59 2.58 1 48 LEU 2.72 2.77 1 49 GLN 4.17 2.95 1 50 ASP 4.16 3.63 1 51 MET 7.52 4.15 1 52 ILE 4.65 2.50 1 53 ASN 3.83 3.06 1 54 GLU 1.95 2.40 1 55 VAL -1.46 -1.26 1 56 ASP 0.37 -0.32 1 57 ALA 1.39 2.07 1 58 ASP -0.08 -1.28 1 60 ASN 1.00 -0.20 1 62 THR -4.92 -2.25 1 63 ILE -2.52 -3.07 1 64 ASP -3.35 -2.21 1 65 PHE 2.57 2.51 1 67 GLU 2.73 3.74 1 68 PHE 4.04 2.89 1 69 LEU 6.08 4.89 1 70 THR 5.23 3.17 1 71 MET 3.59 0.93 1 72 MET 3.19 2.19 1 73 ALA 3.35 2.46 1 74 ARG 0.73 0.80 1 78 ASP 0.30 0.63 1 79 THR 4.29 3.57 1 83 GLU 2.66 2.95 1 84 GLU 5.83 4.49 1 85 ILE 5.32 4.01 1 86 ARG 3.21 2.84 1 87 GLU 4.08 2.98 1 88 ALA 5.22 4.85 1 89 PHE 3.35 2.84 1 90 ARG 5.49 3.66 1 91 VAL 0.63 2.56 1 92 PHE 0.75 -1.64 1 93 ASP 3.17 2.82 1 94 LYS 0.28 -1.16 1 95 ASP 0.33 -0.32 1 99 TYR -0.32 0.23 1 100 ILE -5.70 -2.51 1 101 SER 4.55 3.49 1 102 ALA 3.50 2.85 1 103 ALA 3.72 2.96 1 104 GLU 3.75 3.46 1 105 LEU 4.68 4.18 1 106 ARG 3.57 5.05 1 107 HIS 5.85 4.69 1 108 VAL 5.46 1.64 1 109 MET 6.14 5.03 1 110 THR 3.64 2.93 1 111 ASN 0.73 0.50 1 112 LEU -2.46 -1.75 1 114 GLU 0.39 -0.71 1 115 LYS -3.23 -1.04 1 116 LEU -2.43 -1.03 1 117 THR 5.22 3.87 1 118 ASP 3.96 3.55 1 119 GLU 2.49 2.77 1 120 GLU 6.25 4.73 1 121 VAL 4.12 3.58 1 122 ASP 3.26 2.88 1 123 GLU 4.02 4.58 1 124 MET 5.41 2.75 1 125 ILE 4.36 3.77 1 126 ARG 2.22 2.16 1 127 GLU -3.79 -0.71 1 128 ALA 0.54 0.31 1 129 ASP 2.44 2.42 1 130 ILE 0.96 -0.15 1 131 ASP 0.41 -0.46 1 133 ASP -5.53 -2.35 1 135 GLN -1.41 -0.47 1 136 VAL -1.39 -1.92 1 137 ASN 5.57 4.72 1 138 TYR 4.58 3.68 1 139 GLU 2.37 2.14 1 140 GLU 3.71 4.20 1 141 PHE 6.33 4.85 1 142 VAL 4.59 3.24 1 143 GLN 2.76 1.53 1 144 MET -0.56 0.16 1 145 MET 0.03 0.47 1 146 THR 0.36 0.42 1 147 ALA 0.61 1.31 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr30156_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -5.91 _LACS_plot.Line_1_terminator_val_y_1 3.48 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -1.52 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.50 _LACS_plot.Line_2_terminator_val_x_2 7.51 _LACS_plot.Line_2_terminator_val_y_2 -1.60 _LACS_plot.Y_axis_chem_shift_offset 0.10 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 97 ASN -5.91 4.25 0 10 ALA 4.32 -1.16 1 11 GLU 3.65 -0.60 1 12 PHE 3.57 -1.89 1 13 LYS 5.03 -1.09 1 14 GLU 3.71 -0.66 1 15 ALA 3.83 -0.76 1 16 PHE 4.51 0.09 1 17 SER 3.57 -0.35 1 18 LEU 2.92 -0.88 1 19 PHE -0.39 2.24 1 20 ASP 0.12 -1.79 1 21 LYS 2.72 -0.57 1 22 ASP 0.17 -1.41 1 24 ASP 0.29 -0.58 1 26 THR -5.08 3.00 1 27 ILE -1.25 1.48 1 28 THR -5.20 2.82 1 29 THR 6.36 -1.76 1 30 LYS 3.56 -0.55 1 31 GLU 3.35 -0.29 1 32 LEU 3.60 -0.29 1 34 THR 6.30 -1.10 1 35 VAL 5.80 -1.42 1 36 MET 5.69 -2.02 1 37 ARG 4.20 -1.03 1 38 SER 4.18 -1.04 1 39 LEU -0.11 -0.41 1 41 GLN -2.50 1.31 1 42 ASN -0.63 0.61 1 44 THR -2.58 1.44 1 45 GLU 4.41 -0.83 1 46 ALA 3.44 -0.81 1 47 GLU 2.59 -0.01 1 48 LEU 2.72 0.05 1 49 GLN 4.17 -1.22 1 50 ASP 4.16 -0.53 1 51 MET 7.52 -3.37 1 52 ILE 4.65 -2.15 1 53 ASN 3.83 -0.77 1 54 GLU 1.95 0.45 1 55 VAL -1.46 0.20 1 56 ASP 0.37 -0.69 1 57 ALA 1.39 0.68 1 58 ASP -0.08 -1.20 1 60 ASN 1.00 -1.20 1 62 THR -4.92 2.67 1 63 ILE -2.52 -0.55 1 64 ASP -3.35 1.14 1 65 PHE 2.57 -0.06 1 67 GLU 2.73 1.01 1 68 PHE 4.04 -1.15 1 69 LEU 6.08 -1.19 1 70 THR 5.23 -2.06 1 71 MET 3.59 -2.66 1 72 MET 3.19 -1.00 1 73 ALA 3.35 -0.89 1 74 ARG 0.73 0.07 1 78 ASP 0.30 0.33 1 79 THR 4.29 -0.72 1 83 GLU 2.66 0.29 1 84 GLU 5.83 -1.34 1 85 ILE 5.32 -1.31 1 86 ARG 3.21 -0.37 1 87 GLU 4.08 -1.10 1 88 ALA 5.22 -0.37 1 89 PHE 3.35 -0.51 1 90 ARG 5.49 -1.83 1 91 VAL 0.63 1.93 1 92 PHE 0.75 -2.39 1 93 ASP 3.17 -0.35 1 94 LYS 0.28 -1.44 1 95 ASP 0.33 -0.65 1 99 TYR -0.32 0.55 1 100 ILE -5.70 3.19 1 101 SER 4.55 -1.06 1 102 ALA 3.50 -0.65 1 103 ALA 3.72 -0.76 1 104 GLU 3.75 -0.29 1 105 LEU 4.68 -0.50 1 106 ARG 3.57 1.48 1 107 HIS 5.85 -1.16 1 108 VAL 5.46 -3.82 1 109 MET 6.14 -1.11 1 110 THR 3.64 -0.71 1 111 ASN 0.73 -0.23 1 112 LEU -2.46 0.71 1 114 GLU 0.39 -1.10 1 115 LYS -3.23 2.19 1 116 LEU -2.43 1.40 1 117 THR 5.22 -1.35 1 118 ASP 3.96 -0.41 1 119 GLU 2.49 0.28 1 120 GLU 6.25 -1.52 1 121 VAL 4.12 -0.54 1 122 ASP 3.26 -0.38 1 123 GLU 4.02 0.56 1 124 MET 5.41 -2.66 1 125 ILE 4.36 -0.59 1 126 ARG 2.22 -0.06 1 127 GLU -3.79 3.08 1 128 ALA 0.54 -0.23 1 129 ASP 2.44 -0.02 1 130 ILE 0.96 -1.11 1 131 ASP 0.41 -0.87 1 133 ASP -5.53 3.18 1 135 GLN -1.41 0.94 1 136 VAL -1.39 -0.53 1 137 ASN 5.57 -0.85 1 138 TYR 4.58 -0.90 1 139 GLU 2.37 -0.23 1 140 GLU 3.71 0.49 1 141 PHE 6.33 -1.48 1 142 VAL 4.59 -1.35 1 143 GLN 2.76 -1.23 1 144 MET -0.56 0.72 1 145 MET 0.03 0.44 1 146 THR 0.36 0.06 1 147 ALA 0.61 0.70 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr30156_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -5.91 _LACS_plot.Line_1_terminator_val_y_1 0.52 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -0.17 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.17 _LACS_plot.Line_2_terminator_val_x_2 7.51 _LACS_plot.Line_2_terminator_val_y_2 -0.61 _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 136 VAL -1.41 1.13 0 63 ILE -2.52 1.22 0 10 ALA 4.32 -0.20 1 11 GLU 3.65 -0.15 1 12 PHE 3.57 0.42 1 13 LYS 5.03 -0.29 1 14 GLU 3.71 -0.21 1 15 ALA 3.83 -0.05 1 16 PHE 4.51 -1.28 1 17 SER 3.57 -0.36 1 18 LEU 2.92 -0.33 1 19 PHE -0.39 -0.41 1 20 ASP 0.12 -0.07 1 21 LYS 2.72 -0.32 1 22 ASP 0.17 -0.03 1 24 ASP 0.29 -0.10 1 26 THR -5.08 1.07 1 27 ILE -1.25 0.71 1 28 THR -5.20 0.54 1 29 THR 6.36 -0.16 1 30 LYS 3.56 -0.21 1 31 GLU 3.35 -0.34 1 32 LEU 3.60 -0.24 1 34 THR 6.30 0.03 1 35 VAL 5.80 -0.49 1 37 ARG 4.20 0.45 1 39 LEU -0.11 0.12 1 41 GLN -2.50 0.16 1 44 THR -2.58 0.39 1 45 GLU 4.41 -0.37 1 46 ALA 3.44 -0.21 1 47 GLU 2.59 -0.36 1 48 LEU 2.72 -0.35 1 49 GLN 4.17 -0.48 1 50 ASP 4.16 -0.28 1 51 MET 7.52 -0.40 1 52 ILE 4.65 -0.22 1 53 ASN 3.83 -0.30 1 54 GLU 1.95 -0.27 1 55 VAL -1.46 0.11 1 56 ASP 0.37 -0.14 1 57 ALA 1.39 -0.10 1 58 ASP -0.08 0.02 1 60 ASN 1.00 -0.11 1 62 THR -4.92 0.49 1 64 ASP -3.35 0.82 1 67 GLU 2.57 -0.36 1 68 PHE 2.73 -0.98 1 69 LEU 4.04 -1.00 1 70 THR 6.08 -0.24 1 71 MET 5.23 -0.63 1 72 MET 3.59 -0.66 1 73 ALA 3.19 -0.29 1 78 ASP 0.73 -0.22 1 79 THR 0.30 -0.01 1 83 GLU 4.29 -0.27 1 84 GLU 2.66 -0.29 1 85 ILE 5.83 -0.27 1 86 ARG 5.32 -0.18 1 87 GLU 3.21 -0.26 1 88 ALA 4.08 -0.09 1 89 PHE 5.22 -1.31 1 90 ARG 3.35 -0.44 1 91 VAL 5.49 -0.61 1 92 PHE 0.63 -0.43 1 93 ASP 0.75 -0.02 1 94 LYS 3.17 -0.37 1 95 ASP 0.28 -0.06 1 97 ASN 0.33 -0.07 1 99 TYR -5.91 0.53 1 100 ILE -0.32 0.57 1 101 SER -5.70 0.50 1 102 ALA 4.55 -0.40 1 103 ALA 3.50 -0.25 1 104 GLU 3.72 -0.31 1 105 LEU 3.75 -0.14 1 106 ARG 4.68 -0.63 1 107 HIS 3.57 -0.42 1 108 VAL 5.85 -0.58 1 109 MET 5.46 -0.12 1 110 THR 6.14 -0.23 1 111 ASN 3.64 -0.27 1 112 LEU 0.73 0.00 1 114 GLU -2.46 0.11 1 115 LYS 0.39 0.09 1 116 LEU -3.23 0.45 1 117 THR -2.43 0.26 1 118 ASP 5.22 -0.42 1 119 GLU 3.96 -0.23 1 120 GLU 2.49 -0.23 1 121 VAL 6.25 -0.66 1 122 ASP 4.12 -0.24 1 123 GLU 3.26 -0.30 1 124 MET 4.02 -0.36 1 125 ILE 5.41 -0.32 1 126 ARG 4.36 -0.25 1 127 GLU 2.22 -0.31 1 128 ALA -3.79 0.15 1 129 ASP 0.54 -0.13 1 130 ILE 2.44 -0.25 1 131 ASP 0.96 -0.10 1 133 ASP 0.41 -0.15 1 135 GLN -5.53 0.63 1 137 ASN -1.39 0.60 1 138 TYR 5.57 -1.13 1 139 GLU 4.58 -0.71 1 140 GLU 2.37 -0.44 1 141 PHE 3.71 -1.06 1 142 VAL 6.33 -1.07 1 143 GLN 4.59 -0.51 1 144 MET 2.76 -0.29 1 145 MET -0.56 -0.16 1 146 THR 0.03 -0.06 1 147 ALA 0.36 0.01 1 148 LYS 0.61 -0.15 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr30156_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -5.91 _LACS_plot.Line_1_terminator_val_y_1 -1.16 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 1.36 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.11 _LACS_plot.Line_2_terminator_val_x_2 7.51 _LACS_plot.Line_2_terminator_val_y_2 3.05 _LACS_plot.Y_axis_chem_shift_offset -0.73 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 107 HIS 3.57 5.46 0 28 THR -5.20 1.90 0 10 ALA 4.32 3.24 1 11 GLU 3.65 3.71 1 12 PHE 3.57 3.04 1 13 LYS 5.03 2.73 1 14 GLU 3.71 3.12 1 15 ALA 3.83 0.93 1 16 PHE 4.51 2.04 1 17 SER 3.57 -0.06 1 18 LEU 2.92 0.05 1 19 PHE -0.39 0.70 1 20 ASP 0.12 0.73 1 21 LYS 2.72 1.64 1 22 ASP 0.17 1.45 1 24 ASP 0.29 1.10 1 26 THR -5.08 -1.43 1 27 ILE -1.25 -0.16 1 29 THR 6.36 2.40 1 30 LYS 3.56 3.39 1 31 GLU 3.35 2.66 1 32 LEU 3.60 1.33 1 34 THR 6.30 2.51 1 35 VAL 5.80 2.92 1 37 ARG 4.20 5.07 1 38 SER 4.18 0.21 1 39 LEU -0.11 -0.27 1 41 GLN -2.50 -1.92 1 44 THR -2.58 0.49 1 45 GLU 4.41 2.35 1 46 ALA 3.44 2.41 1 47 GLU 2.59 3.26 1 48 LEU 2.72 1.11 1 49 GLN 4.17 2.51 1 50 ASP 4.16 2.81 1 51 MET 7.52 3.13 1 52 ILE 4.65 1.73 1 53 ASN 3.83 2.31 1 54 GLU 1.95 0.43 1 55 VAL -1.46 -1.09 1 56 ASP 0.37 -0.33 1 57 ALA 1.39 0.93 1 58 ASP -0.08 1.68 1 60 ASN 1.00 1.68 1 62 THR -4.92 -1.52 1 63 ILE -2.52 -0.72 1 64 ASP -3.35 -0.29 1 67 GLU 2.57 2.81 1 68 PHE 2.73 0.62 1 69 LEU 4.04 0.73 1 70 THR 6.08 1.48 1 71 MET 5.23 1.66 1 72 MET 3.59 2.14 1 73 ALA 3.19 2.10 1 78 ASP 0.73 0.36 1 83 GLU 4.29 2.56 1 84 GLU 2.66 2.93 1 85 ILE 5.83 1.56 1 86 ARG 5.32 2.46 1 87 GLU 3.21 2.47 1 88 ALA 4.08 1.14 1 89 PHE 5.22 1.07 1 90 ARG 3.35 1.54 1 91 VAL 5.49 0.84 1 92 PHE 0.63 1.55 1 93 ASP 0.75 1.19 1 94 LYS 3.17 1.66 1 95 ASP 0.28 1.42 1 97 ASN 0.33 0.91 1 99 TYR -5.91 -1.18 1 100 ILE -0.32 -0.87 1 101 SER -5.70 0.81 1 102 ALA 4.55 1.45 1 103 ALA 3.50 3.61 1 104 GLU 3.72 2.84 1 105 LEU 3.75 0.77 1 106 ARG 4.68 2.52 1 108 VAL 5.85 2.02 1 109 MET 5.46 3.01 1 110 THR 6.14 3.72 1 111 ASN 3.64 1.43 1 112 LEU 0.73 -0.53 1 114 GLU -2.46 -1.43 1 115 LYS 0.39 -1.28 1 116 LEU -3.23 0.71 1 117 THR -2.43 0.90 1 118 ASP 5.22 2.31 1 119 GLU 3.96 2.56 1 120 GLU 2.49 2.96 1 121 VAL 6.25 1.20 1 122 ASP 4.12 2.56 1 123 GLU 3.26 2.06 1 124 MET 4.02 3.53 1 125 ILE 5.41 1.36 1 126 ARG 4.36 2.64 1 127 GLU 2.22 0.26 1 128 ALA -3.79 -0.10 1 129 ASP 0.54 -0.46 1 130 ILE 2.44 1.42 1 131 ASP 0.96 1.98 1 133 ASP 0.41 1.31 1 135 GLN -5.53 -0.90 1 136 VAL -1.41 -0.44 1 137 ASN -1.39 -0.36 1 138 TYR 5.57 0.23 1 139 GLU 4.58 3.65 1 140 GLU 2.37 2.80 1 141 PHE 3.71 1.10 1 142 VAL 6.33 2.94 1 143 GLN 4.59 1.84 1 144 MET 2.76 1.69 1 145 MET -0.56 1.24 1 146 THR 0.03 -0.59 1 stop_ save_