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 bmr25417_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.49 _LACS_plot.Line_1_terminator_val_y_1 -3.59 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.63 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.86 _LACS_plot.Line_2_terminator_val_x_2 7.44 _LACS_plot.Line_2_terminator_val_y_2 5.90 _LACS_plot.Y_axis_chem_shift_offset 0.24 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 17 THR 6.35 -1.00 0 10 ARG -3.71 -2.05 1 11 VAL -1.30 -1.49 1 13 GLU -1.04 -0.21 1 14 TRP -1.38 -0.78 1 15 LEU -1.03 -0.89 1 16 VAL 4.33 3.50 1 19 SER -1.02 -0.99 1 20 ILE 0.48 -0.64 1 21 ASN 4.54 2.55 1 22 GLN -7.49 -1.14 1 23 ILE -2.92 -1.67 1 24 SER -4.39 -1.72 1 25 ARG -0.12 -0.21 1 26 ASN 3.09 1.36 1 28 ARG -1.03 -0.91 1 29 GLN -2.34 -0.69 1 30 LEU -3.38 -0.76 1 31 THR -0.08 -0.28 1 32 LEU -5.39 -2.85 1 33 GLU 0.86 0.76 1 35 ARG 3.74 1.59 1 36 LEU 3.31 2.26 1 37 ILE 4.76 0.23 1 38 ASP 4.11 3.10 1 39 LEU 2.67 2.63 1 40 LEU 3.49 3.08 1 41 VAL 6.54 5.04 1 42 PHE 5.05 4.83 1 43 PHE 7.45 5.95 1 44 ALA 3.49 2.37 1 45 GLN 2.42 1.96 1 46 HIS -1.05 -1.14 1 47 SER 3.54 2.74 1 49 GLU -3.74 -1.71 1 50 VAL 2.20 0.57 1 51 LEU -3.98 -2.00 1 52 SER -3.67 -1.42 1 53 ARG 5.96 4.66 1 54 ASP 4.36 3.44 1 55 GLU 2.70 2.73 1 56 LEU 4.05 3.48 1 57 ILE 6.55 5.59 1 58 ASP 3.24 3.02 1 59 ASN -0.16 2.39 1 60 VAL 4.30 1.87 1 61 TRP 4.02 3.57 1 62 LYS 4.12 1.39 1 63 ARG 3.35 1.16 1 64 SER -0.59 -0.02 1 65 ILE 1.29 0.14 1 66 VAL -2.62 -1.45 1 67 THR -3.16 -1.86 1 69 HIS 2.64 3.85 1 70 VAL 5.37 3.61 1 71 VAL 6.41 4.57 1 72 THR 6.14 4.69 1 73 GLN 4.17 2.96 1 77 GLU 3.04 2.51 1 78 LEU 3.27 2.49 1 79 ARG 4.99 4.59 1 80 LYS 4.59 3.74 1 82 LEU 2.20 0.14 1 83 LYS 2.19 2.09 1 84 ASP 1.68 1.24 1 85 ASN 5.10 4.26 1 86 ASP -0.58 -0.66 1 87 GLU 2.05 1.28 1 88 ASP -0.06 -0.36 1 89 SER 0.42 0.87 1 91 VAL 3.12 2.08 1 92 TYR 0.93 2.91 1 93 ILE -3.60 -2.00 1 94 ALA -3.63 -1.99 1 95 THR 1.83 1.18 1 96 VAL 0.90 -0.55 1 98 LYS 5.20 2.89 1 99 ARG -1.95 0.82 1 101 TYR -6.66 -0.94 1 102 LYS -6.75 -1.20 1 103 LEU -0.92 -0.16 1 104 MET 0.09 -0.60 1 105 VAL -1.41 -2.14 1 107 VAL -4.61 -2.44 1 108 ILE -3.67 -1.05 1 109 TRP -0.27 -0.57 1 111 SER 7.11 4.39 1 112 GLU -2.21 -0.35 1 113 GLU -0.90 -1.08 1 114 GLU 0.39 0.45 1 116 GLU 0.24 0.39 1 120 LEU 0.37 0.04 1 121 SER -0.27 -0.26 1 122 SER 0.02 -0.21 1 126 ILE 0.18 -0.23 1 128 GLU -0.43 -0.30 1 129 ALA -0.33 -0.52 1 130 VAL 0.09 -0.32 1 132 ALA 0.00 -0.24 1 133 THR -0.10 -0.36 1 134 ASP 0.00 -0.32 1 135 SER -1.54 -2.16 1 138 HIS 1.41 3.99 1 139 SER 0.31 -0.15 1 140 LEU 0.35 0.06 1 141 ASN 0.59 -0.12 1 142 ILE 0.53 -0.01 1 143 GLN 0.41 -0.01 1 144 ASN 0.45 0.12 1 145 THR -0.17 -0.38 1 146 ALA -0.16 -0.37 1 147 THR 0.08 -0.28 1 150 GLU 0.16 -0.04 1 151 GLN -0.49 -0.64 1 152 SER -0.28 -0.38 1 154 VAL -0.06 -0.27 1 155 LYS 0.33 -0.21 1 156 SER -0.06 -0.34 1 157 LYS 0.70 0.23 1 158 ARG 0.24 -0.02 1 159 PHE -0.09 -0.42 1 160 THR -0.45 -0.52 1 161 THR -0.27 -0.48 1 162 PHE 1.13 1.43 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25417_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.49 _LACS_plot.Line_1_terminator_val_y_1 3.90 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.37 _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 7.44 _LACS_plot.Line_2_terminator_val_y_2 -1.54 _LACS_plot.Y_axis_chem_shift_offset 0.24 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 17 THR 6.35 -7.35 0 10 ARG -3.71 1.66 1 11 VAL -1.30 -0.19 1 13 GLU -1.04 0.83 1 14 TRP -1.38 0.60 1 15 LEU -1.03 0.14 1 16 VAL 4.33 -0.83 1 19 SER -1.02 0.03 1 20 ILE 0.48 -1.12 1 21 ASN 4.54 -1.99 1 22 GLN -7.49 6.35 1 23 ILE -2.92 1.25 1 24 SER -4.39 2.67 1 25 ARG -0.12 -0.09 1 26 ASN 3.09 -1.73 1 28 ARG -1.03 0.12 1 29 GLN -2.34 1.65 1 30 LEU -3.38 2.62 1 31 THR -0.08 -0.20 1 32 LEU -5.39 2.54 1 33 GLU 0.86 -0.10 1 35 ARG 3.74 -2.15 1 36 LEU 3.31 -1.05 1 37 ILE 4.76 -4.53 1 38 ASP 4.11 -1.01 1 39 LEU 2.67 -0.04 1 40 LEU 3.49 -0.41 1 41 VAL 6.54 -1.50 1 42 PHE 5.05 -0.22 1 43 PHE 7.45 -1.50 1 44 ALA 3.49 -1.12 1 45 GLN 2.42 -0.46 1 46 HIS -1.05 -0.09 1 47 SER 3.54 -0.80 1 49 GLU -3.74 2.03 1 50 VAL 2.20 -1.63 1 51 LEU -3.98 1.98 1 52 SER -3.67 2.25 1 53 ARG 5.96 -1.30 1 54 ASP 4.36 -0.92 1 55 GLU 2.70 0.03 1 56 LEU 4.05 -0.57 1 57 ILE 6.55 -0.96 1 58 ASP 3.24 -0.22 1 59 ASN -0.16 2.55 1 60 VAL 4.30 -2.43 1 61 TRP 4.02 -0.45 1 62 LYS 4.12 -2.73 1 63 ARG 3.35 -2.19 1 64 SER -0.59 0.57 1 65 ILE 1.29 -1.15 1 66 VAL -2.62 1.17 1 67 THR -3.16 1.30 1 69 HIS 2.64 1.21 1 70 VAL 5.37 -1.76 1 71 VAL 6.41 -1.84 1 72 THR 6.14 -1.45 1 73 GLN 4.17 -1.21 1 77 GLU 3.04 -0.53 1 78 LEU 3.27 -0.78 1 79 ARG 4.99 -0.40 1 80 LYS 4.59 -0.85 1 82 LEU 2.20 -2.06 1 83 LYS 2.19 -0.10 1 84 ASP 1.68 -0.44 1 85 ASN 5.10 -0.84 1 86 ASP -0.58 -0.08 1 87 GLU 2.05 -0.77 1 88 ASP -0.06 -0.30 1 89 SER 0.42 0.45 1 91 VAL 3.12 -1.04 1 92 TYR 0.93 1.98 1 93 ILE -3.60 1.60 1 94 ALA -3.63 1.64 1 95 THR 1.83 -0.65 1 96 VAL 0.90 -1.45 1 98 LYS 5.20 -2.31 1 99 ARG -1.95 2.77 1 101 TYR -6.66 5.72 1 102 LYS -6.75 5.55 1 103 LEU -0.92 0.76 1 104 MET 0.09 -0.69 1 105 VAL -1.41 -0.73 1 107 VAL -4.61 2.17 1 108 ILE -3.67 2.62 1 109 TRP -0.27 -0.30 1 111 SER 7.11 -2.72 1 112 GLU -2.21 1.86 1 113 GLU -0.90 -0.18 1 114 GLU 0.39 0.06 1 116 GLU 0.24 0.15 1 120 LEU 0.37 -0.33 1 121 SER -0.27 0.01 1 122 SER 0.02 -0.23 1 126 ILE 0.18 -0.41 1 128 GLU -0.43 0.13 1 129 ALA -0.33 -0.19 1 130 VAL 0.09 -0.41 1 132 ALA 0.00 -0.24 1 133 THR -0.10 -0.26 1 134 ASP 0.00 -0.32 1 135 SER -1.54 -0.62 1 138 HIS 1.41 2.58 1 139 SER 0.31 -0.46 1 140 LEU 0.35 -0.29 1 141 ASN 0.59 -0.71 1 142 ILE 0.53 -0.54 1 143 GLN 0.41 -0.42 1 144 ASN 0.45 -0.33 1 145 THR -0.17 -0.21 1 146 ALA -0.16 -0.21 1 147 THR 0.08 -0.36 1 150 GLU 0.16 -0.20 1 151 GLN -0.49 -0.15 1 152 SER -0.28 -0.10 1 154 VAL -0.06 -0.21 1 155 LYS 0.33 -0.54 1 156 SER -0.06 -0.28 1 157 LYS 0.70 -0.47 1 158 ARG 0.24 -0.26 1 159 PHE -0.09 -0.33 1 160 THR -0.45 -0.07 1 161 THR -0.27 -0.21 1 162 PHE 1.13 0.30 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25417_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.49 _LACS_plot.Line_1_terminator_val_y_1 0.76 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.22 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.13 _LACS_plot.Line_2_terminator_val_x_2 7.44 _LACS_plot.Line_2_terminator_val_y_2 -0.72 _LACS_plot.Y_axis_chem_shift_offset 0.03 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 24 SER -4.39 1.42 0 23 ILE -2.92 1.38 0 10 ARG -3.71 0.98 1 11 VAL -1.30 0.15 1 13 GLU -1.04 -0.14 1 14 TRP -1.38 0.01 1 15 LEU -1.03 0.34 1 16 VAL 4.33 -0.17 1 17 THR 6.35 -0.34 1 19 SER -1.02 -0.34 1 20 ILE 0.48 0.40 1 21 ASN 4.54 -0.75 1 22 GLN -7.49 1.14 1 25 ARG -0.12 0.03 1 26 ASN 3.09 -0.47 1 28 ARG -1.03 0.12 1 29 GLN -2.34 0.71 1 30 LEU -3.38 0.36 1 31 THR -0.08 0.57 1 32 LEU -5.39 0.29 1 33 GLU 0.86 -0.34 1 35 ARG 3.74 -0.52 1 36 LEU 3.31 -0.42 1 37 ILE 4.76 -0.58 1 38 ASP 4.11 -0.45 1 39 LEU 2.67 -0.47 1 40 LEU 3.49 -0.26 1 41 VAL 6.54 -0.66 1 42 PHE 5.05 -0.22 1 43 PHE 7.45 -0.73 1 44 ALA 3.49 -0.36 1 45 GLN 2.42 -0.26 1 46 HIS -1.05 -0.09 1 47 SER 3.54 -0.37 1 49 GLU -3.74 0.19 1 50 VAL 2.20 -0.02 1 51 LEU -3.98 0.46 1 52 SER -3.67 0.36 1 53 ARG 5.96 -0.40 1 54 ASP 4.36 -0.36 1 55 GLU 2.70 -0.29 1 56 LEU 4.05 -0.55 1 57 ILE 6.55 -0.32 1 58 ASP 3.24 -0.40 1 59 ASN -0.16 -0.36 1 60 VAL 4.30 -0.54 1 61 TRP 4.02 -0.27 1 62 LYS 4.12 -0.37 1 63 ARG 3.35 -0.36 1 64 SER -0.59 0.06 1 65 ILE 1.29 -0.08 1 66 VAL -2.62 0.16 1 67 THR -3.16 0.01 1 69 HIS 2.64 -0.37 1 70 VAL 5.37 -0.53 1 71 VAL 6.41 -0.90 1 72 THR 6.14 -0.69 1 73 GLN 4.17 -0.33 1 77 GLU 3.04 -0.31 1 78 LEU 3.27 -0.47 1 79 ARG 4.99 -0.78 1 80 LYS 4.59 -0.38 1 82 LEU 2.20 -1.10 1 83 LYS 2.19 -0.15 1 84 ASP 1.68 -0.35 1 85 ASN 5.10 -0.50 1 86 ASP -0.58 0.10 1 87 GLU 2.05 -0.28 1 88 ASP -0.06 0.09 1 89 SER 0.42 -0.19 1 91 VAL 3.12 -0.48 1 92 TYR 0.93 -0.22 1 93 ILE -3.60 0.19 1 94 ALA -3.63 0.35 1 95 THR 1.83 -0.10 1 96 VAL 0.90 -0.09 1 98 LYS 5.20 -0.54 1 99 ARG -1.95 0.22 1 101 TYR -6.66 0.96 1 102 LYS -6.75 0.72 1 103 LEU -0.92 0.47 1 104 MET 0.09 0.31 1 105 VAL -1.41 0.21 1 107 VAL -4.61 0.94 1 108 ILE -3.67 -0.01 1 109 TRP -0.27 -0.22 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25417_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.49 _LACS_plot.Line_1_terminator_val_y_1 -1.90 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.84 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.41 _LACS_plot.Line_2_terminator_val_x_2 7.44 _LACS_plot.Line_2_terminator_val_y_2 2.67 _LACS_plot.Y_axis_chem_shift_offset -0.25 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 21 ASN 4.54 -2.76 0 10 ARG -3.71 -0.93 1 11 VAL -1.30 -0.06 1 13 GLU -1.04 -0.62 1 14 TRP -1.38 -0.16 1 15 LEU -1.03 0.39 1 17 THR 6.35 4.57 1 20 ILE 0.48 -1.37 1 22 GLN -7.49 -0.17 1 23 ILE -2.92 -1.00 1 24 SER -4.39 -0.99 1 25 ARG -0.12 -0.11 1 28 ARG -1.03 -1.31 1 29 GLN -2.34 -0.95 1 30 LEU -3.38 -1.79 1 31 THR -0.08 0.10 1 32 LEU -5.39 -1.07 1 33 GLU 0.86 1.59 1 35 ARG 3.74 2.48 1 36 LEU 3.31 1.21 1 37 ILE 4.76 1.42 1 38 ASP 4.11 3.65 1 39 LEU 2.67 -0.44 1 40 LEU 3.49 0.89 1 41 VAL 6.54 1.19 1 42 PHE 5.05 3.44 1 43 PHE 7.45 3.22 1 44 ALA 3.49 2.80 1 45 GLN 2.42 0.25 1 46 HIS -1.05 1.73 1 47 SER 3.54 1.56 1 49 GLU -3.74 -0.64 1 50 VAL 2.20 -0.46 1 51 LEU -3.98 -1.16 1 52 SER -3.67 1.01 1 53 ARG 5.96 1.94 1 54 ASP 4.36 2.03 1 55 GLU 2.70 4.21 1 56 LEU 4.05 2.29 1 57 ILE 6.55 2.37 1 58 ASP 3.24 1.25 1 59 ASN -0.16 0.37 1 60 VAL 4.30 0.05 1 61 TRP 4.02 0.30 1 62 LYS 4.12 0.53 1 63 ARG 3.35 -0.11 1 64 SER -0.59 -0.99 1 65 ILE 1.29 -0.18 1 66 VAL -2.62 -1.44 1 67 THR -3.16 0.72 1 70 VAL 5.37 3.02 1 71 VAL 6.41 1.53 1 72 THR 6.14 3.42 1 73 GLN 4.17 2.87 1 77 GLU 3.04 3.49 1 78 LEU 3.27 0.77 1 79 ARG 4.99 3.54 1 80 LYS 4.59 3.59 1 82 LEU 2.20 1.15 1 83 LYS 2.19 1.29 1 84 ASP 1.68 -0.72 1 86 ASP -0.58 1.58 1 87 GLU 2.05 0.71 1 88 ASP -0.06 -0.05 1 89 SER 0.42 -0.33 1 91 VAL 3.12 -0.21 1 92 TYR 0.93 0.24 1 93 ILE -3.60 -0.96 1 94 ALA -3.63 0.48 1 95 THR 1.83 -0.41 1 96 VAL 0.90 -0.80 1 98 LYS 5.20 0.24 1 99 ARG -1.95 -0.03 1 101 TYR -6.66 -1.42 1 102 LYS -6.75 -1.94 1 103 LEU -0.92 0.82 1 104 MET 0.09 0.66 1 105 VAL -1.41 -1.86 1 107 VAL -4.61 -0.15 1 108 ILE -3.67 -2.17 1 109 TRP -0.27 0.19 1 stop_ save_