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 bmr18628_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.02 _LACS_plot.Line_1_terminator_val_y_1 -3.56 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.18 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.83 _LACS_plot.Line_2_terminator_val_x_2 8.64 _LACS_plot.Line_2_terminator_val_y_2 5.78 _LACS_plot.Y_axis_chem_shift_offset -0.32 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 105 HIS -0.59 3.31 0 111 LEU 3.83 -0.28 0 10 GLU 3.73 3.22 1 11 ASN 1.80 0.13 1 14 LYS -3.45 -0.96 1 15 ILE -3.29 -1.00 1 16 GLU -3.54 -1.17 1 17 PHE -6.20 -1.82 1 18 GLU -5.52 -2.52 1 19 LEU -4.46 -2.26 1 20 PHE -2.00 -2.40 1 22 ASN 3.61 2.58 1 23 GLU -0.19 2.07 1 24 ALA -0.03 0.00 1 26 VAL 5.98 4.58 1 27 THR 8.65 6.11 1 28 VAL 7.25 5.78 1 29 ALA 4.15 2.80 1 30 ASN 2.99 4.10 1 31 PHE 4.57 4.62 1 32 GLU 2.52 3.22 1 33 LYS 3.78 3.22 1 34 LEU 2.82 2.45 1 35 ALA 3.18 2.19 1 36 ASN 4.03 1.86 1 37 GLU 0.66 0.11 1 39 PHE 2.44 4.14 1 40 TYR 1.00 1.11 1 41 ASN 4.59 1.52 1 43 LEU 0.14 -1.13 1 44 THR -5.41 -1.52 1 45 PHE 2.24 2.05 1 46 HIS -1.18 1.89 1 47 ARG -1.78 -0.50 1 48 VAL -0.55 -0.28 1 49 ILE -2.60 -1.40 1 52 PHE -0.03 -0.19 1 53 VAL -8.02 -3.39 1 54 SER -2.10 -0.58 1 55 GLN -2.61 -1.48 1 60 ARG -0.02 -0.47 1 62 ASN -1.19 -0.75 1 64 THR -0.37 0.47 1 66 ASP -2.49 -0.35 1 67 ALA -1.44 -1.13 1 69 TYR -2.52 -2.32 1 70 THR -4.44 -2.34 1 71 ILE -2.24 -1.21 1 74 GLU -2.17 -1.45 1 75 THR 0.46 0.11 1 76 ASP 2.85 2.50 1 77 ASN 0.72 0.34 1 78 ASN -3.03 -1.92 1 80 HIS 3.68 2.11 1 81 ARG -3.89 -1.10 1 82 HIS 6.72 3.74 1 83 VAL -2.26 -2.24 1 84 THR 5.64 4.98 1 86 ALA -0.14 0.94 1 87 MET -3.57 -1.73 1 88 SER -4.98 -4.13 1 89 MET -1.19 -1.95 1 90 ALA -2.10 -1.05 1 91 HIS -0.10 1.63 1 92 ARG -0.22 -1.76 1 94 ARG 2.02 1.00 1 95 ASP 4.71 1.67 1 96 THR -0.12 0.21 1 98 SER 3.20 2.86 1 100 GLN -1.41 1.85 1 101 PHE -5.79 -2.49 1 102 PHE -6.47 -3.09 1 103 ILE -3.88 -1.71 1 104 VAL 1.45 1.22 1 106 GLU -3.67 -1.40 1 108 GLN -4.02 -2.76 1 110 HIS 3.10 3.23 1 112 ASP 4.15 2.24 1 114 VAL 0.54 1.82 1 115 HIS -2.05 0.40 1 116 THR 3.24 3.62 1 117 VAL 2.46 0.82 1 118 PHE -4.19 -2.22 1 120 GLN -5.13 -1.55 1 121 VAL 2.22 1.91 1 122 THR 1.33 0.57 1 123 SER 0.02 0.74 1 125 MET 4.39 0.51 1 126 ASP 4.89 2.88 1 127 VAL 4.27 2.87 1 128 VAL 5.37 4.09 1 129 ARG 2.80 2.60 1 130 THR -0.56 -0.78 1 131 MET -0.75 1.74 1 132 LYS -4.70 -2.21 1 133 ASN 2.81 1.82 1 135 ASP 2.08 2.02 1 136 VAL -1.02 0.91 1 137 MET -1.44 0.43 1 138 LYS 0.69 1.59 1 139 GLU -5.76 -0.97 1 140 VAL -1.85 -0.65 1 141 LYS -6.03 -1.62 1 142 VAL -3.87 -1.11 1 143 PHE -3.30 -1.91 1 144 ASP -2.16 -0.64 1 145 GLU -4.96 -2.69 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18628_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.02 _LACS_plot.Line_1_terminator_val_y_1 4.46 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.82 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 1.17 _LACS_plot.Line_2_terminator_val_x_2 8.64 _LACS_plot.Line_2_terminator_val_y_2 -2.86 _LACS_plot.Y_axis_chem_shift_offset -0.32 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 105 HIS -0.59 3.90 0 111 LEU 3.83 -4.11 0 10 GLU 3.73 -0.51 1 11 ASN 1.80 -1.67 1 14 LYS -3.45 2.49 1 15 ILE -3.29 2.29 1 16 GLU -3.54 2.37 1 17 PHE -6.20 4.38 1 18 GLU -5.52 3.00 1 19 LEU -4.46 2.20 1 20 PHE -2.00 -0.40 1 22 ASN 3.61 -1.03 1 23 GLU -0.19 2.26 1 24 ALA -0.03 0.03 1 26 VAL 5.98 -1.40 1 27 THR 8.65 -2.54 1 28 VAL 7.25 -1.47 1 29 ALA 4.15 -1.35 1 30 ASN 2.99 1.11 1 31 PHE 4.57 0.05 1 32 GLU 2.52 0.70 1 33 LYS 3.78 -0.56 1 34 LEU 2.82 -0.37 1 35 ALA 3.18 -0.99 1 36 ASN 4.03 -2.17 1 37 GLU 0.66 -0.55 1 39 PHE 2.44 1.70 1 40 TYR 1.00 0.11 1 41 ASN 4.59 -3.07 1 43 LEU 0.14 -1.27 1 44 THR -5.41 3.89 1 45 PHE 2.24 -0.19 1 46 HIS -1.18 3.07 1 47 ARG -1.78 1.28 1 48 VAL -0.55 0.27 1 49 ILE -2.60 1.20 1 52 PHE -0.03 -0.16 1 53 VAL -8.02 4.63 1 54 SER -2.10 1.52 1 55 GLN -2.61 1.13 1 60 ARG -0.02 -0.45 1 62 ASN -1.19 0.44 1 64 THR -0.37 0.84 1 66 ASP -2.49 2.14 1 67 ALA -1.44 0.31 1 69 TYR -2.52 0.20 1 70 THR -4.44 2.10 1 71 ILE -2.24 1.03 1 74 GLU -2.17 0.72 1 75 THR 0.46 -0.35 1 76 ASP 2.85 -0.35 1 77 ASN 0.72 -0.38 1 78 ASN -3.03 1.11 1 80 HIS 3.68 -1.57 1 81 ARG -3.89 2.79 1 82 HIS 6.72 -2.98 1 83 VAL -2.26 0.02 1 84 THR 5.64 -0.66 1 86 ALA -0.14 1.08 1 87 MET -3.57 1.84 1 88 SER -4.98 0.85 1 89 MET -1.19 -0.76 1 90 ALA -2.10 1.05 1 91 HIS -0.10 1.73 1 92 ARG -0.22 -1.54 1 94 ARG 2.02 -1.02 1 95 ASP 4.71 -3.04 1 96 THR -0.12 0.33 1 98 SER 3.20 -0.34 1 100 GLN -1.41 3.26 1 101 PHE -5.79 3.30 1 102 PHE -6.47 3.38 1 103 ILE -3.88 2.17 1 104 VAL 1.45 -0.23 1 106 GLU -3.67 2.27 1 108 GLN -4.02 1.26 1 110 HIS 3.10 0.13 1 112 ASP 4.15 -1.91 1 114 VAL 0.54 1.28 1 115 HIS -2.05 2.45 1 116 THR 3.24 0.38 1 117 VAL 2.46 -1.64 1 118 PHE -4.19 1.97 1 120 GLN -5.13 3.58 1 121 VAL 2.22 -0.31 1 122 THR 1.33 -0.76 1 123 SER 0.02 0.72 1 125 MET 4.39 -3.88 1 126 ASP 4.89 -2.01 1 127 VAL 4.27 -1.40 1 128 VAL 5.37 -1.28 1 129 ARG 2.80 -0.20 1 130 THR -0.56 -0.22 1 131 MET -0.75 2.49 1 132 LYS -4.70 2.49 1 133 ASN 2.81 -0.99 1 135 ASP 2.08 -0.06 1 136 VAL -1.02 1.93 1 137 MET -1.44 1.87 1 138 LYS 0.69 0.90 1 139 GLU -5.76 4.79 1 140 VAL -1.85 1.20 1 141 LYS -6.03 4.41 1 142 VAL -3.87 2.76 1 143 PHE -3.30 1.39 1 144 ASP -2.16 1.52 1 145 GLU -4.96 2.27 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18628_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -8.02 _LACS_plot.Line_1_terminator_val_y_1 1.00 _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 0.31 _LACS_plot.Line_2_terminator_val_x_2 8.64 _LACS_plot.Line_2_terminator_val_y_2 -0.85 _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 27 THR 8.65 -0.28 0 10 GLU 3.73 -0.38 1 11 ASN 1.80 -0.20 1 14 LYS -3.45 0.98 1 15 ILE -3.29 0.47 1 16 GLU -3.54 0.62 1 17 PHE -6.20 0.92 1 18 GLU -5.52 0.60 1 19 LEU -4.46 0.40 1 20 PHE -2.00 0.97 1 22 ASN 3.61 -0.16 1 23 GLU -0.19 0.34 1 24 ALA -0.03 0.15 1 26 VAL 5.98 -0.48 1 28 VAL 7.25 -0.69 1 29 ALA 4.15 -0.09 1 30 ASN 2.99 -0.45 1 31 PHE 4.57 -0.66 1 32 GLU 2.52 -0.81 1 33 LYS 3.78 -0.38 1 34 LEU 2.82 -0.53 1 35 ALA 3.18 -0.17 1 36 ASN 4.03 0.06 1 37 GLU 0.66 0.13 1 39 PHE 2.44 -0.82 1 40 TYR 1.00 -0.34 1 41 ASN 4.59 -0.61 1 43 LEU 0.14 0.28 1 44 THR -5.41 1.13 1 45 PHE 2.24 0.24 1 46 HIS -1.18 -0.20 1 47 ARG -1.78 0.12 1 48 VAL -0.55 0.40 1 49 ILE -2.60 0.25 1 52 PHE -0.03 0.53 1 53 VAL -8.02 1.00 1 54 SER -2.10 0.60 1 55 GLN -2.61 0.79 1 60 ARG -0.02 0.03 1 62 ASN -1.19 -0.09 1 64 THR -0.37 0.09 1 66 ASP -2.49 0.54 1 67 ALA -1.44 0.13 1 69 TYR -2.52 0.22 1 70 THR -4.44 0.83 1 71 ILE -2.24 0.44 1 74 GLU -2.17 0.40 1 75 THR 0.46 0.08 1 76 ASP 2.85 -0.24 1 77 ASN 0.72 -0.16 1 78 ASN -3.03 -0.07 1 80 HIS 3.68 -0.52 1 81 ARG -3.89 0.35 1 82 HIS 6.72 -0.65 1 83 VAL -2.26 0.16 1 84 THR 5.64 -1.04 1 86 ALA -0.14 -0.08 1 87 MET -3.57 0.19 1 88 SER -4.98 0.94 1 89 MET -1.19 0.70 1 90 ALA -2.10 0.10 1 91 HIS -0.10 0.02 1 92 ARG -0.22 0.51 1 94 ARG 2.02 -0.33 1 95 ASP 4.71 -0.02 1 96 THR -0.12 0.33 1 98 SER 3.20 -0.23 1 100 GLN -1.41 0.61 1 101 PHE -5.79 1.20 1 102 PHE -6.47 1.22 1 103 ILE -3.88 0.99 1 104 VAL 1.45 0.04 1 105 HIS -0.59 -0.39 1 106 GLU -3.67 0.25 1 108 GLN -4.02 0.39 1 110 HIS 3.10 -0.15 1 111 LEU 3.83 -0.21 1 112 ASP 4.15 0.40 1 114 VAL 0.54 0.01 1 115 HIS -2.05 0.06 1 116 THR 3.24 -0.67 1 117 VAL 2.46 0.08 1 118 PHE -4.19 0.42 1 120 GLN -5.13 0.15 1 121 VAL 2.22 0.15 1 122 THR 1.33 0.10 1 123 SER 0.02 0.24 1 125 MET 4.39 0.10 1 126 ASP 4.89 -0.37 1 127 VAL 4.27 -0.71 1 128 VAL 5.37 -0.90 1 129 ARG 2.80 -0.95 1 130 THR -0.56 0.09 1 131 MET -0.75 -0.26 1 132 LYS -4.70 0.27 1 133 ASN 2.81 -0.46 1 135 ASP 2.08 -0.01 1 136 VAL -1.02 -0.16 1 137 MET -1.44 0.24 1 138 LYS 0.69 -0.06 1 139 GLU -5.76 0.25 1 140 VAL -1.85 0.84 1 141 LYS -6.03 0.34 1 142 VAL -3.87 0.56 1 143 PHE -3.30 0.41 1 144 ASP -2.16 0.70 1 145 GLU -4.96 0.52 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18628_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -8.02 _LACS_plot.Line_1_terminator_val_y_1 -3.24 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.39 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.09 _LACS_plot.Line_2_terminator_val_x_2 8.64 _LACS_plot.Line_2_terminator_val_y_2 2.76 _LACS_plot.Y_axis_chem_shift_offset 0.35 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 44 THR -5.41 3.78 0 10 GLU 3.73 0.54 1 11 ASN 1.80 1.00 1 14 LYS -3.45 -2.08 1 15 ILE -3.29 -0.34 1 16 GLU -3.54 -0.53 1 17 PHE -6.20 -2.41 1 18 GLU -5.52 -2.57 1 19 LEU -4.46 -1.57 1 22 ASN 3.61 1.14 1 23 GLU -0.19 -2.48 1 26 VAL 5.98 3.26 1 27 THR 8.65 3.82 1 28 VAL 7.25 -0.09 1 29 ALA 4.15 2.85 1 30 ASN 2.99 -0.81 1 31 PHE 4.57 0.49 1 32 GLU 2.52 -0.16 1 33 LYS 3.78 2.06 1 34 LEU 2.82 1.52 1 35 ALA 3.18 4.17 1 36 ASN 4.03 3.33 1 37 GLU 0.66 0.70 1 39 PHE 2.44 0.14 1 40 TYR 1.00 -0.13 1 41 ASN 4.59 0.86 1 43 LEU 0.14 -2.36 1 45 PHE 2.24 -0.81 1 46 HIS -1.18 0.40 1 47 ARG -1.78 -4.08 1 48 VAL -0.55 -0.96 1 52 PHE -0.03 -2.64 1 53 VAL -8.02 -2.29 1 54 SER -2.10 -2.44 1 55 GLN -2.61 -1.66 1 60 ARG -0.02 0.49 1 62 ASN -1.19 0.50 1 64 THR -0.37 1.15 1 66 ASP -2.49 -2.71 1 67 ALA -1.44 -1.08 1 69 TYR -2.52 -2.62 1 70 THR -4.44 -0.56 1 74 GLU -2.17 -2.59 1 75 THR 0.46 3.08 1 76 ASP 2.85 0.36 1 77 ASN 0.72 -1.98 1 80 HIS 3.68 0.42 1 81 ARG -3.89 0.59 1 82 HIS 6.72 1.88 1 83 VAL -2.26 -1.86 1 84 THR 5.64 1.36 1 86 ALA -0.14 -2.21 1 87 MET -3.57 -2.66 1 88 SER -4.98 -0.18 1 89 MET -1.19 0.46 1 90 ALA -2.10 -1.94 1 91 HIS -0.10 0.34 1 92 ARG -0.22 -0.20 1 95 ASP 4.71 -0.02 1 96 THR -0.12 1.02 1 98 SER 3.20 -4.07 1 100 GLN -1.41 -0.33 1 101 PHE -5.79 -3.93 1 102 PHE -6.47 -2.78 1 103 ILE -3.88 0.55 1 104 VAL 1.45 0.44 1 105 HIS -0.59 0.17 1 110 HIS 3.10 2.33 1 111 LEU 3.83 0.28 1 112 ASP 4.15 1.08 1 114 VAL 0.54 0.21 1 115 HIS -2.05 0.60 1 116 THR 3.24 -2.01 1 117 VAL 2.46 -0.72 1 118 PHE -4.19 -3.22 1 120 GLN -5.13 -1.84 1 121 VAL 2.22 0.78 1 122 THR 1.33 0.62 1 123 SER 0.02 -1.33 1 125 MET 4.39 2.28 1 126 ASP 4.89 2.00 1 127 VAL 4.27 2.17 1 128 VAL 5.37 0.86 1 129 ARG 2.80 1.42 1 130 THR -0.56 -0.37 1 131 MET -0.75 -2.79 1 132 LYS -4.70 -1.31 1 133 ASN 2.81 2.39 1 135 ASP 2.08 0.06 1 136 VAL -1.02 0.39 1 137 MET -1.44 -1.95 1 138 LYS 0.69 0.38 1 139 GLU -5.76 -3.14 1 140 VAL -1.85 -2.47 1 141 LYS -6.03 -2.57 1 142 VAL -3.87 -1.80 1 143 PHE -3.30 -2.96 1 144 ASP -2.16 0.07 1 stop_ save_