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 bmr25150_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -9.33 _LACS_plot.Line_1_terminator_val_y_1 -3.51 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.13 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.19 _LACS_plot.Line_2_terminator_val_x_2 8.40 _LACS_plot.Line_2_terminator_val_y_2 6.59 _LACS_plot.Y_axis_chem_shift_offset -0.31 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 30 VAL -4.93 -6.97 0 10 LYS 4.12 3.48 1 11 GLU 3.68 4.44 1 12 LEU 4.34 3.02 1 13 LEU 3.31 2.80 1 14 ALA 3.76 2.69 1 15 LEU 2.49 2.35 1 16 GLN 2.37 2.76 1 17 ASN 0.83 1.78 1 18 ASP -0.35 0.26 1 23 MET -3.12 -0.13 1 24 THR -3.51 -0.95 1 25 LEU 0.76 1.07 1 26 ASN -0.47 1.00 1 31 GLN 3.00 2.73 1 34 ILE -9.33 -6.13 1 35 THR -0.02 -0.73 1 36 GLN -3.50 -0.61 1 37 TRP -7.22 -3.87 1 38 ILE -2.11 -1.67 1 39 VAL -3.90 -0.95 1 40 ASP -0.29 1.11 1 41 MET -5.38 -0.79 1 42 GLU -4.48 -2.12 1 44 ALA 0.19 0.56 1 47 THR -5.04 -1.42 1 48 LEU 2.17 1.39 1 49 TYR -1.38 -1.79 1 50 GLU 1.36 1.50 1 52 GLU -2.96 -0.16 1 53 LYS -1.78 -0.82 1 54 PHE -7.01 -3.01 1 55 GLN -4.42 0.50 1 56 LEU -5.97 -1.68 1 57 LEU -4.55 -1.43 1 58 PHE -5.04 -1.70 1 59 LYS -3.81 -1.38 1 60 PHE -2.01 -0.45 1 61 SER -3.40 -1.17 1 63 ARG 2.52 1.67 1 64 TYR 3.46 3.88 1 66 PHE 4.97 3.38 1 67 ASP 0.75 -0.65 1 68 SER -1.72 -0.63 1 70 GLN -2.33 -2.39 1 71 VAL -4.25 -1.01 1 72 MET 0.86 1.88 1 73 PHE -3.72 -2.22 1 74 THR 0.43 1.44 1 76 GLU -1.67 -0.86 1 77 ASN -2.25 0.69 1 78 ILE 5.71 3.03 1 80 VAL -2.55 -0.32 1 83 HIS -2.31 -1.10 1 84 VAL -0.98 1.49 1 85 TYR 5.16 3.59 1 86 SER 0.65 -0.76 1 87 ASN -1.56 1.30 1 89 HIS -3.26 -2.78 1 90 ILE 5.34 4.36 1 92 LEU 4.11 3.21 1 94 ILE 0.55 0.23 1 95 LEU -0.32 -0.84 1 96 THR 1.19 2.08 1 97 GLU -0.41 -0.01 1 98 ASP 1.95 1.93 1 99 TRP -2.59 -1.03 1 100 SER 0.42 0.33 1 102 ALA -0.20 -0.89 1 103 LEU -4.77 -1.80 1 104 SER 7.15 5.87 1 105 VAL 6.60 5.43 1 106 GLN 5.33 4.20 1 107 SER 5.96 4.77 1 108 VAL 4.77 3.38 1 110 LEU 5.57 4.75 1 111 SER 5.18 4.33 1 112 ILE 5.18 5.16 1 113 ILE 4.02 3.21 1 114 SER 3.49 3.63 1 115 MET 5.44 3.67 1 116 LEU 4.08 3.40 1 117 SER 0.46 0.70 1 118 SER 8.40 8.85 1 120 LYS -3.20 -0.41 1 121 GLU 2.77 2.08 1 122 LYS -2.75 -1.42 1 123 ARG 1.83 0.71 1 124 ARG 0.43 -1.53 1 127 ASP 3.72 3.38 1 128 ASN 3.10 3.26 1 130 PHE 3.65 4.39 1 131 TYR 5.58 4.13 1 132 VAL 3.63 2.98 1 133 ARG 0.49 0.48 1 134 THR 1.49 1.06 1 136 ASN 1.01 0.78 1 137 LYS -0.01 0.23 1 138 ASN 3.22 -0.10 1 141 LYS 0.19 0.05 1 142 THR -3.03 0.37 1 144 TRP -3.63 -0.38 1 145 TRP -0.41 -0.47 1 146 TYR -0.96 1.24 1 147 HIS -0.60 -0.02 1 148 ASP 0.15 0.41 1 149 ASP 0.44 0.51 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25150_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -9.33 _LACS_plot.Line_1_terminator_val_y_1 5.82 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.87 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.81 _LACS_plot.Line_2_terminator_val_x_2 8.40 _LACS_plot.Line_2_terminator_val_y_2 -1.81 _LACS_plot.Y_axis_chem_shift_offset -0.31 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 30 VAL -4.93 -2.04 0 10 LYS 4.12 -0.64 1 11 GLU 3.68 0.76 1 12 LEU 4.34 -1.32 1 13 LEU 3.31 -0.51 1 14 ALA 3.76 -1.07 1 15 LEU 2.49 -0.14 1 16 GLN 2.37 0.39 1 17 ASN 0.83 0.95 1 18 ASP -0.35 0.61 1 23 MET -3.12 2.99 1 24 THR -3.51 2.56 1 25 LEU 0.76 0.31 1 26 ASN -0.47 1.47 1 31 GLN 3.00 -0.27 1 34 ILE -9.33 3.20 1 35 THR -0.02 -0.71 1 36 GLN -3.50 2.89 1 37 TRP -7.22 3.35 1 38 ILE -2.11 0.44 1 39 VAL -3.90 2.95 1 40 ASP -0.29 1.40 1 41 MET -5.38 4.59 1 42 GLU -4.48 2.36 1 44 ALA 0.19 0.37 1 47 THR -5.04 3.62 1 48 LEU 2.17 -0.78 1 49 TYR -1.38 -0.41 1 50 GLU 1.36 0.14 1 52 GLU -2.96 2.80 1 53 LYS -1.78 0.96 1 54 PHE -7.01 4.00 1 55 GLN -4.42 4.92 1 56 LEU -5.97 4.29 1 57 LEU -4.55 3.12 1 58 PHE -5.04 3.34 1 59 LYS -3.81 2.43 1 60 PHE -2.01 1.56 1 61 SER -3.40 2.23 1 63 ARG 2.52 -0.85 1 64 TYR 3.46 0.42 1 66 PHE 4.97 -1.59 1 67 ASP 0.75 -1.40 1 68 SER -1.72 1.09 1 70 GLN -2.33 -0.06 1 71 VAL -4.25 3.24 1 72 MET 0.86 1.02 1 73 PHE -3.72 1.50 1 74 THR 0.43 1.01 1 76 GLU -1.67 0.81 1 77 ASN -2.25 2.94 1 78 ILE 5.71 -2.68 1 80 VAL -2.55 2.23 1 83 HIS -2.31 1.21 1 84 VAL -0.98 2.47 1 85 TYR 5.16 -1.57 1 86 SER 0.65 -1.41 1 87 ASN -1.56 2.86 1 89 HIS -3.26 0.48 1 90 ILE 5.34 -0.98 1 92 LEU 4.11 -0.90 1 94 ILE 0.55 -0.32 1 95 LEU -0.32 -0.52 1 96 THR 1.19 0.89 1 97 GLU -0.41 0.40 1 98 ASP 1.95 -0.02 1 99 TRP -2.59 1.56 1 100 SER 0.42 -0.09 1 102 ALA -0.20 -0.69 1 103 LEU -4.77 2.97 1 104 SER 7.15 -1.28 1 105 VAL 6.60 -1.17 1 106 GLN 5.33 -1.13 1 107 SER 5.96 -1.19 1 108 VAL 4.77 -1.39 1 110 LEU 5.57 -0.82 1 111 SER 5.18 -0.85 1 112 ILE 5.18 -0.02 1 113 ILE 4.02 -0.81 1 114 SER 3.49 0.14 1 115 MET 5.44 -1.77 1 116 LEU 4.08 -0.68 1 117 SER 0.46 0.24 1 118 SER 8.40 0.45 1 120 LYS -3.20 2.79 1 121 GLU 2.77 -0.69 1 122 LYS -2.75 1.33 1 123 ARG 1.83 -1.12 1 124 ARG 0.43 -1.96 1 127 ASP 3.72 -0.34 1 128 ASN 3.10 0.16 1 130 PHE 3.65 0.74 1 131 TYR 5.58 -1.45 1 132 VAL 3.63 -0.65 1 133 ARG 0.49 -0.01 1 134 THR 1.49 -0.43 1 136 ASN 1.01 -0.23 1 137 LYS -0.01 0.24 1 138 ASN 3.22 -3.32 1 141 LYS 0.19 -0.14 1 142 THR -3.03 3.40 1 144 TRP -3.63 3.25 1 145 TRP -0.41 -0.06 1 146 TYR -0.96 2.20 1 147 HIS -0.60 0.58 1 148 ASP 0.15 0.26 1 149 ASP 0.44 0.07 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25150_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -9.33 _LACS_plot.Line_1_terminator_val_y_1 0.86 _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 0.20 _LACS_plot.Line_2_terminator_val_x_2 8.40 _LACS_plot.Line_2_terminator_val_y_2 -0.66 _LACS_plot.Y_axis_chem_shift_offset -0.04 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 92 LEU 4.11 169.37 0 10 LYS 4.12 -0.24 1 11 GLU 3.68 -0.17 1 13 LEU 3.31 -0.34 1 14 ALA 3.76 -0.13 1 16 GLN 2.37 -0.36 1 17 ASN 0.83 -0.11 1 23 MET -3.12 1.22 1 24 THR -3.51 0.25 1 25 LEU 0.76 -0.04 1 34 ILE -9.33 0.49 1 36 GLN -3.50 1.28 1 37 TRP -7.22 0.92 1 38 ILE -2.11 1.11 1 39 VAL -3.90 0.46 1 40 ASP -0.29 0.58 1 41 MET -5.38 0.99 1 42 GLU -4.48 0.66 1 47 THR -5.04 0.45 1 48 LEU 2.17 -0.28 1 49 TYR -1.38 0.28 1 50 GLU 1.36 -0.87 1 52 GLU -2.96 -0.38 1 53 LYS -1.78 0.37 1 54 PHE -7.01 0.90 1 55 GLN -4.42 1.01 1 56 LEU -5.97 0.35 1 57 LEU -4.55 0.83 1 58 PHE -5.04 0.13 1 59 LYS -3.81 0.56 1 60 PHE -2.01 -0.32 1 63 ARG 2.52 0.11 1 66 PHE 4.97 -0.38 1 67 ASP -2.33 0.28 1 71 VAL -4.25 0.25 1 72 MET 0.86 0.59 1 73 PHE -3.72 0.43 1 74 THR 0.43 -0.21 1 76 GLU -1.67 0.37 1 77 ASN -2.55 0.11 1 83 HIS -2.31 0.66 1 84 VAL -0.98 0.13 1 85 TYR 5.16 -0.53 1 86 SER -3.26 0.24 1 90 ILE 5.34 0.33 1 94 ILE 0.55 0.31 1 95 LEU -0.32 -0.01 1 96 THR 1.19 -0.03 1 97 GLU 1.95 -0.24 1 99 TRP 0.42 -0.23 1 102 ALA -4.77 -0.09 1 104 SER 7.15 -0.51 1 105 VAL 6.60 -0.49 1 106 GLN 5.96 -0.46 1 108 VAL 4.77 -0.23 1 110 LEU 5.18 -0.50 1 112 ILE 5.18 -0.57 1 113 ILE 4.02 -0.17 1 114 SER 5.44 -0.26 1 116 LEU 4.08 -0.13 1 117 SER 0.46 0.02 1 118 SER 8.40 0.22 1 120 LYS -3.20 -0.12 1 121 GLU 2.77 -0.46 1 122 LYS -2.75 -0.07 1 123 ARG 0.43 0.48 1 127 ASP 3.10 -0.50 1 130 PHE 3.65 -0.80 1 131 TYR 1.49 -0.73 1 136 ASN 1.01 -0.12 1 137 LYS -0.96 -0.54 1 147 HIS -0.60 -0.10 1 148 ASP 0.15 0.01 1 149 ASP 0.44 -0.05 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25150_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -9.33 _LACS_plot.Line_1_terminator_val_y_1 -2.43 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.55 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.65 _LACS_plot.Line_2_terminator_val_x_2 8.40 _LACS_plot.Line_2_terminator_val_y_2 2.39 _LACS_plot.Y_axis_chem_shift_offset 0.02 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 34 ILE -9.33 2.24 0 10 LYS 4.12 3.44 1 11 GLU 3.68 2.17 1 12 LEU 4.34 0.97 1 13 LEU 3.31 1.66 1 14 ALA 3.76 -1.53 1 16 GLN 2.37 1.95 1 17 ASN 0.83 0.10 1 23 MET -3.12 -0.91 1 24 THR -3.51 -1.29 1 25 LEU 0.76 -1.98 1 26 ASN -0.47 -1.42 1 30 VAL -4.93 0.71 1 36 GLN -3.50 -1.82 1 37 TRP -7.22 -1.14 1 39 VAL -3.90 -1.12 1 40 ASP -0.29 -1.14 1 41 MET -5.38 -2.71 1 42 GLU -4.48 0.72 1 47 THR -5.04 1.46 1 48 LEU 2.17 -1.69 1 49 TYR -1.38 -1.27 1 50 GLU 1.36 0.58 1 53 LYS -1.78 -1.32 1 54 PHE -7.01 -0.65 1 55 GLN -4.42 -2.20 1 56 LEU -5.97 -3.34 1 57 LEU -4.55 -3.05 1 58 PHE -5.04 -1.39 1 59 LYS -3.81 -1.41 1 60 PHE -2.01 -1.16 1 61 SER -3.40 0.17 1 63 ARG 2.52 -1.21 1 66 PHE 4.97 0.07 1 72 MET -4.25 -1.52 1 73 PHE 0.86 -0.40 1 74 THR -3.72 -1.15 1 76 GLU 0.43 0.02 1 77 ASN -1.67 1.33 1 83 HIS -2.55 -0.64 1 84 VAL -2.31 -1.14 1 85 TYR -0.98 3.37 1 86 SER 5.16 -0.29 1 87 ASN 0.65 0.42 1 90 ILE -3.26 -1.89 1 92 LEU 5.34 -1.78 1 95 LEU 0.55 0.86 1 96 THR -0.32 1.25 1 97 GLU 1.19 0.31 1 99 TRP 1.95 0.40 1 102 ALA 0.42 1.00 1 104 SER -4.77 0.68 1 105 VAL 7.15 2.75 1 106 GLN 6.60 1.70 1 107 SER 5.33 3.23 1 108 VAL 5.96 1.79 1 110 LEU 4.77 2.55 1 111 SER 5.57 2.41 1 112 ILE 5.18 1.04 1 113 ILE 5.18 3.13 1 114 SER 4.02 2.31 1 115 MET 3.49 3.25 1 116 LEU 5.44 1.66 1 117 SER 4.08 0.44 1 118 SER 0.46 -0.46 1 120 LYS 8.40 -0.26 1 121 GLU -3.20 -2.55 1 122 LYS 2.77 -2.16 1 123 ARG -2.75 -3.65 1 127 ASP 0.43 -3.43 1 130 PHE 3.10 1.94 1 131 TYR 3.65 2.24 1 132 VAL 5.58 1.78 1 136 ASN 1.49 2.57 1 137 LYS 1.01 -0.41 1 141 LYS 3.22 1.32 1 144 TRP -3.03 0.46 1 146 TYR -0.41 -1.19 1 147 HIS -0.96 2.77 1 148 ASP -0.60 -0.64 1 149 ASP 0.15 0.25 1 150 THR 0.44 -0.71 1 stop_ save_