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 bmr25567_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.17 _LACS_plot.Line_1_terminator_val_y_1 -6.24 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.76 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -4.15 _LACS_plot.Line_2_terminator_val_x_2 8.22 _LACS_plot.Line_2_terminator_val_y_2 3.63 _LACS_plot.Y_axis_chem_shift_offset 2.64 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 93 THR 3.22 -3.65 0 10 TYR -4.89 -5.07 1 11 TYR -5.68 -4.01 1 14 SER -1.45 -3.63 1 17 THR 8.22 2.95 1 18 LYS 4.13 0.80 1 19 LYS 3.69 0.22 1 20 MET 2.86 -3.12 1 21 ALA 2.97 0.15 1 22 GLU 3.25 0.00 1 23 LYS 4.34 0.77 1 24 ILE 6.19 2.13 1 25 ASN -0.06 -0.78 1 26 SER 2.55 -0.43 1 27 GLU 0.62 -2.40 1 28 ILE -0.35 -3.35 1 29 LYS 3.00 -0.54 1 30 ASP 3.69 -0.58 1 31 SER -1.25 -2.66 1 32 GLU -5.52 -4.53 1 33 LEU -4.99 -3.77 1 34 LYS -4.92 -3.85 1 35 GLU -3.33 -3.96 1 36 VAL 0.55 -2.66 1 37 LYS -3.82 -4.02 1 38 VAL -3.98 -4.92 1 39 SER 0.96 -2.07 1 40 GLU 1.80 -1.05 1 45 ALA 1.63 -1.09 1 47 MET 4.09 -1.28 1 48 TYR 3.78 -0.52 1 51 SER 0.02 -3.46 1 54 ALA 1.44 -1.23 1 55 LEU 3.10 -0.39 1 58 ILE 3.14 0.39 1 59 GLN 1.06 -1.69 1 61 ASN 0.61 -1.87 1 64 PHE -0.02 -3.85 1 66 GLU -0.68 -2.81 1 67 ILE -5.02 -4.66 1 68 GLN -1.17 -3.43 1 69 LEU -3.34 -3.34 1 70 ASP -0.21 -2.59 1 71 ASN 1.96 -1.61 1 72 ILE -3.46 -3.77 1 73 ASP -0.92 -5.00 1 74 TYR 5.65 1.57 1 75 ASN 2.94 -0.34 1 76 ASN 1.24 -1.93 1 77 TYR -0.90 -2.54 1 78 ASP -0.92 -0.94 1 79 LEU -3.72 -3.78 1 80 ILE -3.02 -3.68 1 81 LEU -5.23 -5.47 1 82 ILE -3.54 -4.27 1 84 SER -5.69 -4.46 1 86 VAL 0.73 -2.60 1 87 TRP -4.87 -6.72 1 88 SER 2.25 -2.37 1 90 TYR -0.61 -1.71 1 92 ALA 0.37 -2.93 1 95 ILE 5.21 0.95 1 96 LYS 5.16 1.01 1 97 THR 3.02 0.52 1 98 LEU 3.49 0.08 1 99 LEU 3.84 0.32 1 100 ASP 3.11 -0.74 1 101 GLN -0.29 -1.97 1 102 MET 3.69 0.08 1 103 LYS 0.45 -2.63 1 104 ASN 0.33 -2.41 1 105 TYR -0.21 -2.98 1 106 ARG -3.42 -2.92 1 108 GLU -4.52 -4.76 1 109 VAL -4.38 -5.06 1 110 ALA -5.14 -6.67 1 111 SER -8.17 -7.27 1 112 PHE -6.02 -7.23 1 113 PHE -3.09 -4.99 1 114 THR -0.35 -2.73 1 115 SER -0.41 -2.68 1 116 ALA -0.37 -2.87 1 118 THR 0.65 -2.87 1 119 ASN 0.72 0.14 1 120 HIS 4.20 0.76 1 121 LYS 2.49 -0.91 1 122 ALA 5.89 2.19 1 123 TYR 6.08 2.38 1 124 VAL 4.71 0.58 1 125 SER 2.84 -0.08 1 126 HIS 6.21 2.98 1 127 PHE 4.03 1.15 1 128 ASN 2.99 0.03 1 129 GLU -0.19 -2.83 1 130 TRP -1.36 -3.92 1 131 ALA 1.75 0.11 1 132 ASP -2.13 -4.02 1 134 LEU 1.43 -3.85 1 135 ASN 0.12 -3.48 1 136 VAL 0.49 -2.14 1 137 ILE -3.73 -3.99 1 139 VAL -5.95 -3.62 1 140 ALA -1.66 -4.11 1 141 ARG 3.44 -0.58 1 142 ASP -0.46 -5.12 1 143 ASP 4.00 1.04 1 144 SER -1.39 -4.52 1 145 GLU 5.64 1.88 1 146 VAL 4.02 0.12 1 147 ASP 3.06 -0.46 1 148 LYS -1.11 -3.70 1 149 TRP 0.32 -1.39 1 150 SER 0.92 -0.82 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25567_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.17 _LACS_plot.Line_1_terminator_val_y_1 1.93 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -3.76 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -2.15 _LACS_plot.Line_2_terminator_val_x_2 8.22 _LACS_plot.Line_2_terminator_val_y_2 -4.59 _LACS_plot.Y_axis_chem_shift_offset 2.64 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 93 THR 3.22 -6.87 0 10 TYR -4.89 -0.18 1 11 TYR -5.68 1.67 1 14 SER -1.45 -2.18 1 17 THR 8.22 -5.27 1 18 LYS 4.13 -3.33 1 19 LYS 3.69 -3.47 1 20 MET 2.86 -5.98 1 21 ALA 2.97 -2.82 1 22 GLU 3.25 -3.25 1 23 LYS 4.34 -3.57 1 24 ILE 6.19 -4.06 1 25 ASN -0.06 -0.72 1 26 SER 2.55 -2.98 1 27 GLU 0.62 -3.02 1 28 ILE -0.35 -3.00 1 29 LYS 3.00 -3.54 1 30 ASP 3.69 -4.27 1 31 SER -1.25 -1.41 1 32 GLU -5.52 0.99 1 33 LEU -4.99 1.22 1 34 LYS -4.92 1.07 1 35 GLU -3.33 -0.63 1 36 VAL 0.55 -3.21 1 37 LYS -3.82 -0.20 1 38 VAL -3.98 -0.94 1 39 SER 0.96 -3.03 1 40 GLU 1.80 -2.85 1 45 ALA 1.63 -2.72 1 47 MET 4.09 -5.37 1 48 TYR 3.78 -4.30 1 51 SER 0.02 -3.48 1 54 ALA 1.44 -2.67 1 55 LEU 3.10 -3.49 1 58 ILE 3.14 -2.75 1 59 GLN 1.06 -2.75 1 61 ASN 0.61 -2.48 1 64 PHE -0.02 -3.83 1 66 GLU -0.68 -2.13 1 67 ILE -5.02 0.36 1 68 GLN -1.17 -2.26 1 69 LEU -3.34 0.00 1 70 ASP -0.21 -2.38 1 71 ASN 1.96 -3.57 1 72 ILE -3.46 -0.31 1 73 ASP -0.92 -4.08 1 74 TYR 5.65 -4.08 1 75 ASN 2.94 -3.28 1 76 ASN 1.24 -3.17 1 77 TYR -0.90 -1.64 1 78 ASP -0.92 -0.02 1 79 LEU -3.72 -0.06 1 80 ILE -3.02 -0.66 1 81 LEU -5.23 -0.24 1 82 ILE -3.54 -0.73 1 84 SER -5.69 1.23 1 86 VAL 0.73 -3.33 1 87 TRP -4.87 -1.85 1 88 SER 2.25 -4.62 1 90 TYR -0.61 -1.10 1 92 ALA 0.37 -3.30 1 95 ILE 5.21 -4.26 1 96 LYS 5.16 -4.15 1 97 THR 3.02 -2.50 1 98 LEU 3.49 -3.41 1 99 LEU 3.84 -3.52 1 100 ASP 3.11 -3.85 1 101 GLN -0.29 -1.68 1 102 MET 3.69 -3.61 1 103 LYS 0.45 -3.08 1 104 ASN 0.33 -2.74 1 105 TYR -0.21 -2.77 1 106 ARG -3.42 0.50 1 108 GLU -4.52 -0.24 1 109 VAL -4.38 -0.68 1 110 ALA -5.14 -1.53 1 111 SER -8.17 0.90 1 112 PHE -6.02 -1.21 1 113 PHE -3.09 -1.90 1 114 THR -0.35 -2.38 1 115 SER -0.41 -2.27 1 116 ALA -0.37 -2.50 1 118 THR 0.65 -3.52 1 119 ASN 0.72 -0.58 1 120 HIS 4.20 -3.44 1 121 LYS 2.49 -3.40 1 122 ALA 5.89 -3.70 1 123 TYR 6.08 -3.70 1 124 VAL 4.71 -4.13 1 125 SER 2.84 -2.92 1 126 HIS 6.21 -3.23 1 127 PHE 4.03 -2.88 1 128 ASN 2.99 -2.96 1 129 GLU -0.19 -2.64 1 130 TRP -1.36 -2.56 1 131 ALA 1.75 -1.64 1 132 ASP -2.13 -1.89 1 134 LEU 1.43 -5.28 1 135 ASN 0.12 -3.60 1 136 VAL 0.49 -2.63 1 137 ILE -3.73 -0.26 1 139 VAL -5.95 2.33 1 140 ALA -1.66 -2.45 1 141 ARG 3.44 -4.02 1 142 ASP -0.46 -4.66 1 143 ASP 4.00 -2.96 1 144 SER -1.39 -3.13 1 145 GLU 5.64 -3.76 1 146 VAL 4.02 -3.90 1 147 ASP 3.06 -3.52 1 148 LYS -1.11 -2.59 1 149 TRP 0.32 -1.71 1 150 SER 0.92 -1.74 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25567_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -8.17 _LACS_plot.Line_1_terminator_val_y_1 1.15 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.36 _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 8.22 _LACS_plot.Line_2_terminator_val_y_2 -1.23 _LACS_plot.Y_axis_chem_shift_offset 0.07 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 140 ALA -1.66 -1.60 0 10 TYR -4.89 0.98 1 11 TYR -5.68 0.26 1 17 THR 8.22 -0.23 1 18 LYS 4.13 -1.40 1 19 LYS 3.69 -0.37 1 20 MET 2.86 -0.01 1 21 ALA 2.97 -0.77 1 22 GLU 3.25 -0.68 1 23 LYS 4.34 -0.50 1 24 ILE 6.19 -0.87 1 25 ASN -0.06 -0.51 1 26 SER 2.55 -0.32 1 27 GLU 0.62 -0.25 1 28 ILE -0.35 0.03 1 29 LYS 3.00 -0.32 1 30 ASP 3.69 -0.24 1 31 SER -1.25 0.31 1 32 GLU -5.52 0.39 1 33 LEU -4.99 0.95 1 34 LYS -4.92 0.28 1 35 GLU -3.33 -0.99 1 36 VAL 0.55 -0.26 1 37 LYS -3.82 0.62 1 38 VAL -3.98 0.57 1 39 SER 0.96 -0.28 1 40 GLU 1.80 -0.19 1 45 ALA 1.63 -0.26 1 48 TYR 3.78 -0.40 1 51 SER 0.02 -0.70 1 54 ALA 1.44 -0.07 1 55 LEU 3.10 -0.40 1 58 ILE 3.14 -0.49 1 59 GLN 1.06 -0.21 1 61 ASN 0.61 -0.21 1 64 PHE -0.02 -0.51 1 66 GLU -0.68 -0.12 1 67 ILE -5.02 0.96 1 68 GLN -1.17 0.16 1 69 LEU -3.34 0.17 1 70 ASP -0.21 -0.22 1 71 ASN 1.96 -0.40 1 72 ILE -3.46 -0.23 1 73 ASP -0.92 -0.02 1 74 TYR 5.65 -0.67 1 75 ASN 2.94 0.19 1 76 ASN 1.24 -0.28 1 77 TYR -0.90 -0.19 1 78 ASP -0.92 0.16 1 79 LEU -3.72 0.77 1 80 ILE -3.02 0.92 1 81 LEU -5.23 0.79 1 82 ILE -3.54 0.75 1 84 SER -5.69 0.70 1 86 VAL 0.73 0.25 1 87 TRP -4.87 0.54 1 88 SER 2.25 -0.48 1 90 TYR -0.61 -0.62 1 92 ALA 0.37 -0.87 1 93 THR 3.22 -0.55 1 95 ILE 5.21 -1.21 1 96 LYS 5.16 -0.89 1 97 THR 3.02 -0.71 1 98 LEU 3.49 -0.64 1 99 LEU 3.84 -0.41 1 100 ASP 3.11 -0.18 1 101 GLN -0.29 -0.65 1 102 MET 3.69 -0.40 1 103 LYS 0.45 0.00 1 104 ASN 0.33 0.03 1 105 TYR -0.21 -0.07 1 106 ARG -3.42 0.28 1 108 GLU -4.52 1.20 1 109 VAL -4.38 0.36 1 110 ALA -5.14 1.03 1 111 SER -8.17 1.83 1 112 PHE -6.02 1.30 1 113 PHE -3.09 0.58 1 114 THR -0.35 0.14 1 115 SER -0.41 0.14 1 116 ALA -0.37 -0.01 1 118 THR 0.65 -0.04 1 119 ASN 0.72 -0.64 1 120 HIS 4.20 -0.54 1 121 LYS 2.49 -0.60 1 122 ALA 5.89 -1.18 1 123 TYR 6.08 -0.92 1 124 VAL 4.71 -0.43 1 125 SER 2.84 -0.53 1 126 HIS 6.21 -1.42 1 127 PHE 4.03 -0.66 1 128 ASN 2.99 -0.31 1 129 GLU -0.19 -0.19 1 130 TRP -1.36 -0.37 1 131 ALA 1.75 -0.43 1 132 ASP -2.13 0.12 1 134 LEU 1.43 -0.10 1 135 ASN 0.12 0.48 1 136 VAL 0.49 0.26 1 137 ILE -3.73 1.20 1 139 VAL -5.95 0.28 1 141 ARG 3.44 -0.86 1 142 ASP -0.46 -0.39 1 143 ASP 4.00 -0.72 1 144 SER -1.39 -0.03 1 145 GLU 5.64 -1.16 1 146 VAL 4.02 -0.57 1 147 ASP 3.06 -0.37 1 148 LYS -1.11 -0.06 1 149 TRP 0.32 -0.23 1 150 SER 0.92 -0.14 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25567_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.02 _LACS_plot.Line_1_terminator_val_y_1 -4.92 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -2.19 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -3.61 _LACS_plot.Line_2_terminator_val_x_2 6.21 _LACS_plot.Line_2_terminator_val_y_2 -0.81 _LACS_plot.Y_axis_chem_shift_offset 2.90 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 142 ASP 3.44 -7.01 0 18 LYS 4.13 -2.79 1 19 LYS 3.69 0.62 1 20 MET 2.86 -2.47 1 21 ALA 2.97 -1.26 1 22 GLU 3.25 0.06 1 23 LYS 4.34 0.76 1 24 ILE 6.19 -1.46 1 25 ASN -0.06 -1.63 1 26 SER 2.55 -2.52 1 27 GLU 0.62 -2.95 1 28 ILE -0.35 -3.93 1 29 LYS 3.00 -2.22 1 30 ASP 3.69 -3.72 1 31 SER -1.25 -3.46 1 32 GLU -5.52 -5.39 1 33 LEU -4.99 -4.20 1 34 LYS -4.92 -6.96 1 35 GLU -3.33 -3.72 1 36 VAL 0.55 -4.85 1 38 VAL -3.98 -2.67 1 39 SER 0.96 -1.54 1 40 GLU 1.80 -2.12 1 48 TYR 3.78 -3.68 1 51 SER 0.02 -4.04 1 66 GLU -0.68 -2.62 1 67 ILE -5.02 -3.70 1 68 GLN -1.17 -4.32 1 69 LEU -3.34 -4.97 1 71 ASN 1.96 -3.43 1 72 ILE -3.46 -4.78 1 73 ASP -0.92 -2.27 1 74 TYR 5.65 -2.26 1 75 ASN 2.94 -2.63 1 76 ASN 1.24 -4.07 1 77 TYR -0.90 -3.72 1 78 ASP -0.92 -3.66 1 79 LEU -3.72 -6.88 1 80 ILE -3.02 -4.82 1 81 LEU -5.23 -4.62 1 82 ILE -3.54 -3.39 1 86 VAL 0.73 -3.52 1 87 TRP -4.87 -2.81 1 88 SER 2.25 -2.22 1 92 ALA 0.37 -1.32 1 95 ILE 3.22 -2.14 1 96 LYS 5.21 -2.01 1 97 THR 5.16 -1.45 1 98 LEU 3.02 -3.01 1 99 LEU 3.49 -0.14 1 100 ASP 3.84 0.29 1 101 GLN 3.11 -1.40 1 102 MET -0.29 -3.52 1 103 LYS 3.69 -2.68 1 104 ASN 0.45 -2.61 1 105 TYR 0.33 -1.64 1 113 PHE -6.02 -2.51 1 114 THR -3.09 -2.81 1 115 SER -0.35 -3.20 1 116 ALA -0.41 -2.04 1 118 THR -0.37 -2.93 1 119 ASN 0.65 -2.85 1 120 HIS 0.72 -0.70 1 121 LYS 4.20 -0.55 1 122 ALA 2.49 -2.67 1 124 VAL 6.08 -0.92 1 125 SER 4.71 0.04 1 126 HIS 2.84 -1.16 1 127 PHE 6.21 -2.29 1 128 ASN 4.03 0.14 1 129 GLU 2.99 0.34 1 130 TRP -0.19 -1.84 1 131 ALA -1.36 -5.31 1 132 ASP 1.75 -2.52 1 134 LEU -2.13 -3.50 1 135 ASN 1.43 -4.64 1 136 VAL 0.12 -0.98 1 137 ILE 0.49 -2.46 1 139 VAL -3.73 -4.01 1 140 ALA -5.95 -6.74 1 141 ARG -1.66 -2.78 1 143 ASP -0.46 -0.74 1 144 SER 4.00 -1.78 1 145 GLU -1.39 -4.67 1 146 VAL 5.64 -1.72 1 147 ASP 4.02 -1.53 1 148 LYS 3.06 -0.19 1 149 TRP -1.11 -1.90 1 150 SER 0.32 -4.43 1 stop_ save_