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 bmr17021_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.33 _LACS_plot.Line_1_terminator_val_y_1 -2.29 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.72 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.39 _LACS_plot.Line_2_terminator_val_x_2 4.20 _LACS_plot.Line_2_terminator_val_y_2 2.75 _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 105 SER -3.79 -4.29 0 135 ILE -3.63 -4.37 0 111 PHE 3.54 4.22 0 10 THR 0.13 0.12 1 11 TRP 0.08 0.02 1 12 ASN 0.00 0.04 1 13 ASP 0.21 0.27 1 14 SER 1.20 0.77 1 15 ARG 0.86 0.47 1 17 ASN -0.09 -0.23 1 18 TYR 0.39 0.21 1 19 TRP -0.17 -0.20 1 20 SER -0.10 0.04 1 21 ASP 0.55 0.27 1 22 TYR 0.26 0.09 1 23 GLU -0.31 -0.02 1 25 SER -0.23 -0.08 1 26 ASP 0.13 0.16 1 27 GLU 0.36 0.34 1 28 ASN -0.04 0.32 1 30 ASP 0.24 0.27 1 32 ILE 0.46 0.29 1 34 ASP 0.24 0.27 1 35 SER 0.64 0.45 1 36 ALA 0.52 0.33 1 37 TYR -0.20 -0.38 1 38 ALA -0.55 -0.25 1 39 VAL 0.19 -0.11 1 40 ASN -0.28 -0.22 1 42 GLU -0.00 -0.02 1 43 ALA 0.58 0.42 1 45 SER 0.07 0.16 1 46 MET 0.22 0.01 1 52 MET 0.32 0.11 1 53 GLU -0.04 0.22 1 54 TYR 0.14 -0.03 1 55 LEU 1.40 2.08 1 60 VAL 0.65 0.13 1 61 LEU -0.39 -0.85 1 63 THR -2.39 -1.00 1 64 ALA -1.70 -1.78 1 65 ARG -2.72 0.00 1 66 PHE -4.32 -0.98 1 67 THR -4.40 -2.38 1 68 SER -4.71 -1.75 1 69 ASP 4.14 2.21 1 70 ILE -5.34 -1.24 1 71 THR -1.17 -0.65 1 72 GLU -5.72 -2.39 1 74 PHE 0.76 0.40 1 75 ALA -0.41 -2.55 1 77 LEU -4.56 -1.45 1 78 SER 0.39 -0.28 1 79 VAL -3.90 -1.26 1 80 ARG 1.78 1.07 1 81 PHE -6.33 -4.80 1 82 LYS -1.86 0.74 1 83 ASP -0.10 1.09 1 84 PHE -0.19 -0.06 1 85 SER 4.21 3.00 1 86 GLU -5.18 -1.89 1 87 ASN 2.91 0.83 1 88 ALA -4.39 -1.62 1 89 THR 0.03 -0.38 1 90 SER -2.09 -0.40 1 91 ARG -5.39 -2.05 1 92 LEU -3.74 -0.34 1 93 TRP -3.03 -2.30 1 94 MET -2.14 -1.04 1 95 PHE 3.72 2.57 1 97 ASP -2.71 -2.07 1 99 ASN -1.81 0.29 1 100 THR -5.40 -1.86 1 101 SER -1.36 -0.31 1 102 ASP 0.49 0.75 1 109 THR -0.34 -0.88 1 110 PHE -0.43 -1.69 1 112 ASN -3.70 -1.44 1 113 GLU 0.45 -0.12 1 115 GLU -3.57 -1.91 1 116 TYR -3.18 -0.82 1 117 ILE 1.50 -0.41 1 118 VAL -0.85 -1.28 1 119 SER -4.35 -2.15 1 120 LEU -4.60 -2.44 1 121 ILE -2.13 -1.24 1 122 VAL -5.28 -4.17 1 123 SER -4.36 -1.46 1 124 ASN -1.26 -1.13 1 125 GLU 3.46 2.19 1 126 ASN -0.41 1.60 1 127 ASP -4.59 -0.37 1 128 SER -4.70 -1.43 1 129 ASP -5.19 -0.31 1 130 SER -5.55 -2.53 1 131 ALA -4.73 -1.25 1 132 SER -4.91 -1.05 1 133 VAL -4.26 -1.09 1 134 THR 0.46 0.19 1 136 ARG -2.03 -0.83 1 137 ALA -4.11 -3.25 1 138 LEU -2.26 -0.98 1 139 GLU -1.87 -0.64 1 140 HIS -0.16 1.34 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17021_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.33 _LACS_plot.Line_1_terminator_val_y_1 4.04 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.28 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.61 _LACS_plot.Line_2_terminator_val_x_2 4.20 _LACS_plot.Line_2_terminator_val_y_2 -1.45 _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 105 SER -3.79 -0.50 0 135 ILE -3.63 -0.74 0 111 PHE 3.54 0.68 0 10 THR 0.13 -0.01 1 11 TRP 0.08 -0.06 1 12 ASN 0.00 0.04 1 13 ASP 0.21 0.06 1 14 SER 1.20 -0.43 1 15 ARG 0.86 -0.39 1 17 ASN -0.09 -0.14 1 18 TYR 0.39 -0.18 1 19 TRP -0.17 -0.03 1 20 SER -0.10 0.14 1 21 ASP 0.55 -0.28 1 22 TYR 0.26 -0.17 1 23 GLU -0.31 0.29 1 25 SER -0.23 0.15 1 26 ASP 0.13 0.03 1 27 GLU 0.36 -0.02 1 28 ASN -0.04 0.36 1 30 ASP 0.24 0.03 1 32 ILE 0.46 -0.17 1 34 ASP 0.24 0.03 1 35 SER 0.64 -0.19 1 36 ALA 0.52 -0.19 1 37 TYR -0.20 -0.18 1 38 ALA -0.55 0.30 1 39 VAL 0.19 -0.30 1 40 ASN -0.28 0.06 1 42 GLU -0.00 -0.02 1 43 ALA 0.58 -0.16 1 45 SER 0.07 0.09 1 46 MET 0.22 -0.21 1 52 MET 0.32 -0.21 1 53 GLU -0.04 0.26 1 54 TYR 0.14 -0.17 1 55 LEU 1.40 0.68 1 60 VAL 0.65 -0.52 1 61 LEU -0.39 -0.46 1 63 THR -2.39 1.39 1 64 ALA -1.70 -0.08 1 65 ARG -2.72 2.72 1 66 PHE -4.32 3.34 1 67 THR -4.40 2.02 1 68 SER -4.71 2.96 1 69 ASP 4.14 -1.93 1 70 ILE -5.34 4.10 1 71 THR -1.17 0.52 1 72 GLU -5.72 3.33 1 74 PHE 0.76 -0.36 1 75 ALA -0.41 -2.14 1 77 LEU -4.56 3.11 1 78 SER 0.39 -0.67 1 79 VAL -3.90 2.64 1 80 ARG 1.78 -0.71 1 81 PHE -6.33 1.53 1 82 LYS -1.86 2.60 1 83 ASP -0.10 1.19 1 84 PHE -0.19 0.13 1 85 SER 4.21 -1.21 1 86 GLU -5.18 3.29 1 87 ASN 2.91 -2.08 1 88 ALA -4.39 2.77 1 89 THR 0.03 -0.41 1 90 SER -2.09 1.69 1 91 ARG -5.39 3.34 1 92 LEU -3.74 3.40 1 93 TRP -3.03 0.73 1 94 MET -2.14 1.10 1 95 PHE 3.72 -1.15 1 97 ASP -2.71 0.64 1 99 ASN -1.81 2.10 1 100 THR -5.40 3.54 1 101 SER -1.36 1.05 1 102 ASP 0.49 0.26 1 109 THR -0.34 -0.54 1 110 PHE -0.43 -1.26 1 112 ASN -3.70 2.26 1 113 GLU 0.45 -0.57 1 115 GLU -3.57 1.66 1 116 TYR -3.18 2.36 1 117 ILE 1.50 -1.91 1 118 VAL -0.85 -0.43 1 119 SER -4.35 2.20 1 120 LEU -4.60 2.16 1 121 ILE -2.13 0.89 1 122 VAL -5.28 1.11 1 123 SER -4.36 2.90 1 124 ASN -1.26 0.13 1 125 GLU 3.46 -1.27 1 126 ASN -0.41 2.01 1 127 ASP -4.59 4.22 1 128 SER -4.70 3.27 1 129 ASP -5.19 4.88 1 130 SER -5.55 3.02 1 131 ALA -4.73 3.48 1 132 SER -4.91 3.86 1 133 VAL -4.26 3.17 1 134 THR 0.46 -0.27 1 136 ARG -2.03 1.20 1 137 ALA -4.11 0.86 1 138 LEU -2.26 1.28 1 139 GLU -1.87 1.23 1 140 HIS -0.16 1.50 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17021_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.33 _LACS_plot.Line_1_terminator_val_y_1 0.77 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.25 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.25 _LACS_plot.Line_2_terminator_val_x_2 4.20 _LACS_plot.Line_2_terminator_val_y_2 -0.54 _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 132 SER -4.91 1.85 0 10 THR 0.13 -0.08 1 11 TRP 0.08 -0.07 1 12 ASN 0.00 -0.18 1 13 ASP 0.21 -0.15 1 14 SER 1.20 -0.13 1 15 ARG 0.86 -0.12 1 17 ASN -0.09 -0.20 1 18 TYR 0.39 -0.13 1 19 TRP -0.17 -0.07 1 20 SER -0.10 -0.18 1 21 ASP 0.55 -0.14 1 22 TYR 0.26 -0.10 1 23 GLU -0.31 -0.16 1 25 SER -0.23 -0.02 1 26 ASP 0.13 -0.03 1 27 GLU 0.36 -0.14 1 28 ASN -0.04 -0.02 1 30 ASP 0.24 -0.06 1 32 ILE 0.46 -0.03 1 34 ASP 0.24 -0.05 1 35 SER 0.64 -0.13 1 36 ALA 0.52 -0.12 1 37 TYR -0.20 -0.06 1 38 ALA -0.55 -0.04 1 39 VAL 0.19 -0.10 1 40 ASN -0.28 -0.10 1 42 GLU -0.00 -0.13 1 43 ALA 0.58 -0.12 1 45 SER 0.07 -0.04 1 46 MET 0.22 -0.09 1 52 MET 0.32 -0.10 1 53 GLU -0.04 -0.20 1 54 TYR 0.14 -0.05 1 55 LEU 1.40 -0.45 1 60 VAL 0.65 -0.13 1 61 LEU -0.39 0.03 1 63 THR -2.39 0.29 1 64 ALA -1.70 0.27 1 65 ARG -2.72 0.08 1 66 PHE -4.32 1.15 1 67 THR -4.40 0.57 1 68 SER -4.71 0.80 1 69 ASP 4.14 -0.37 1 70 ILE -5.34 0.34 1 71 THR -1.17 0.31 1 72 GLU -5.72 1.23 1 74 PHE 0.76 0.09 1 75 ALA -0.41 0.11 1 77 LEU -4.56 0.24 1 78 SER 0.39 0.59 1 79 VAL -3.90 -0.07 1 80 ARG 1.78 -0.19 1 81 PHE -6.33 0.34 1 82 LYS -1.86 0.44 1 83 ASP -0.10 0.31 1 84 PHE -0.19 0.27 1 85 SER 4.21 0.01 1 86 GLU -5.18 0.32 1 87 ASN 2.91 -0.58 1 88 ALA -4.39 0.20 1 89 THR 0.03 0.13 1 90 SER -2.09 0.21 1 91 ARG -5.39 0.82 1 92 LEU -3.74 0.12 1 93 TRP -3.03 -0.03 1 94 MET -2.14 0.07 1 95 PHE 3.72 -0.13 1 97 ASP -2.71 0.39 1 99 ASN -1.81 0.51 1 100 THR -5.40 0.94 1 101 SER -1.36 0.30 1 109 THR -0.34 0.24 1 110 PHE -0.43 -0.47 1 111 PHE 3.54 -0.77 1 112 ASN -3.70 0.29 1 113 GLU 0.45 -0.30 1 115 GLU -3.57 0.64 1 116 TYR -3.18 0.16 1 117 ILE 1.50 0.36 1 118 VAL -0.85 0.52 1 119 SER -4.35 1.07 1 120 LEU -4.60 -0.07 1 121 ILE -2.13 0.48 1 122 VAL -5.28 1.04 1 123 SER -4.36 0.93 1 124 ASN -1.26 0.29 1 125 GLU 3.46 -0.33 1 126 ASN -0.41 0.10 1 127 ASP -4.59 0.21 1 128 SER -4.70 1.01 1 129 ASP -5.19 0.37 1 130 SER -5.55 1.32 1 131 ALA -4.73 0.48 1 133 VAL -4.26 0.45 1 134 THR 0.46 0.84 1 135 ILE -3.63 0.71 1 136 ARG -2.03 0.61 1 137 ALA -4.11 0.86 1 138 LEU -2.26 0.24 1 139 GLU -1.87 0.12 1 140 HIS -0.16 -0.44 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17021_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.33 _LACS_plot.Line_1_terminator_val_y_1 -2.01 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.06 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.03 _LACS_plot.Line_2_terminator_val_x_2 4.20 _LACS_plot.Line_2_terminator_val_y_2 0.50 _LACS_plot.Y_axis_chem_shift_offset 0.53 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 81 PHE -6.33 0.91 0 87 ASN 2.91 -3.17 0 95 PHE 3.72 -3.10 0 10 THR 0.13 -0.34 1 11 TRP 0.08 -0.34 1 12 ASN 0.00 -0.60 1 13 ASP 0.21 0.28 1 14 SER 1.20 0.32 1 15 ARG 0.86 0.40 1 17 ASN -0.09 0.34 1 18 TYR 0.39 -0.61 1 19 TRP -0.17 -0.22 1 20 SER -0.10 -0.71 1 21 ASP 0.55 -0.54 1 22 TYR 0.26 -0.84 1 23 GLU -0.31 -0.13 1 25 SER -0.23 -0.36 1 26 ASP 0.13 0.17 1 27 GLU 0.36 -0.13 1 28 ASN -0.04 0.56 1 30 ASP 0.24 0.63 1 32 ILE 0.46 0.53 1 34 ASP 0.24 0.40 1 35 SER 0.64 -0.13 1 36 ALA 0.52 -0.40 1 37 TYR -0.20 -0.61 1 38 ALA -0.55 -0.78 1 39 VAL 0.19 -0.77 1 40 ASN -0.28 0.05 1 42 GLU -0.00 -0.02 1 43 ALA 0.58 0.42 1 45 SER 0.07 0.22 1 46 MET 0.22 -0.42 1 52 MET 0.32 -0.29 1 53 GLU -0.04 -0.49 1 54 TYR 0.14 -0.37 1 55 LEU 1.40 1.12 1 60 VAL 0.65 -0.77 1 61 LEU -0.39 -1.23 1 63 THR -2.39 -0.34 1 64 ALA -1.70 -0.62 1 65 ARG -2.72 -2.63 1 66 PHE -4.32 -2.27 1 67 THR -4.40 -1.28 1 68 SER -4.71 -0.71 1 69 ASP 4.14 -0.19 1 70 ILE -5.34 -1.22 1 71 THR -1.17 -1.39 1 72 GLU -5.72 -2.24 1 74 PHE 0.76 -0.51 1 75 ALA -0.41 -1.45 1 77 LEU -4.56 -2.53 1 78 SER 0.39 -2.12 1 79 VAL -3.90 -3.45 1 80 ARG 1.78 0.29 1 82 LYS -1.86 -1.96 1 83 ASP -0.10 0.30 1 84 PHE -0.19 -0.49 1 85 SER 4.21 -0.72 1 86 GLU -5.18 -1.07 1 88 ALA -4.39 -0.40 1 89 THR 0.03 2.70 1 90 SER -2.09 -2.47 1 91 ARG -5.39 -3.00 1 92 LEU -3.74 -3.48 1 93 TRP -3.03 0.23 1 94 MET -2.14 -0.66 1 97 ASP -2.71 0.40 1 99 ASN -1.81 0.33 1 100 THR -5.40 -0.58 1 101 SER -1.36 -1.77 1 105 SER -3.79 -2.82 1 109 THR -0.34 -3.14 1 110 PHE -0.43 -0.39 1 111 PHE 3.54 -1.09 1 112 ASN -3.70 0.35 1 113 GLU 0.45 -1.54 1 115 GLU -3.57 -1.42 1 116 TYR -3.18 -1.78 1 117 ILE 1.50 -1.46 1 118 VAL -0.85 -0.19 1 119 SER -4.35 -3.64 1 120 LEU -4.60 -3.01 1 121 ILE -2.13 0.42 1 122 VAL -5.28 -1.59 1 123 SER -4.36 -1.18 1 124 ASN -1.26 -0.24 1 125 GLU 3.46 -0.35 1 126 ASN -0.41 -0.84 1 127 ASP -4.59 -2.30 1 128 SER -4.70 -2.00 1 129 ASP -5.19 -2.88 1 130 SER -5.55 -2.35 1 131 ALA -4.73 -1.92 1 132 SER -4.91 -0.95 1 133 VAL -4.26 -3.82 1 134 THR 0.46 -1.05 1 135 ILE -3.63 -1.33 1 136 ARG -2.03 -3.58 1 137 ALA -4.11 -0.86 1 138 LEU -2.26 -0.78 1 139 GLU -1.87 -0.72 1 140 HIS -0.16 0.96 1 stop_ save_