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 bmr19971_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.95 _LACS_plot.Line_1_terminator_val_y_1 -2.64 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 1.12 _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 8.02 _LACS_plot.Line_2_terminator_val_y_2 5.90 _LACS_plot.Y_axis_chem_shift_offset -0.26 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 98 ILE -2.10 -2.77 0 120 ASN -0.11 -1.75 0 115 ASP 4.84 1.17 0 109 ALA -6.95 -1.83 0 10 ASN -0.21 0.97 1 11 THR 0.07 0.93 1 14 PHE -0.28 -0.99 1 15 SER 5.43 4.71 1 16 THR 8.02 5.05 1 17 LEU 4.04 3.28 1 18 VAL 7.04 5.52 1 19 THR 6.50 5.33 1 20 ALA 3.86 2.83 1 21 VAL 5.31 4.13 1 22 LYS 4.75 3.92 1 23 VAL 5.24 3.93 1 24 ALA -0.67 -0.61 1 25 ASN 3.17 1.12 1 26 LEU -3.07 -0.93 1 27 VAL 6.24 5.00 1 28 GLU 4.92 3.43 1 29 ALA 4.60 2.85 1 30 LEU 1.95 0.82 1 31 GLN 0.96 1.81 1 36 PHE -4.76 -0.89 1 37 THR -0.55 0.50 1 38 VAL -4.64 -2.26 1 39 PHE -0.59 -1.78 1 40 ALA -5.18 -1.75 1 42 ASN -1.47 -1.88 1 43 ASP 5.99 4.26 1 44 ASP 4.09 3.02 1 45 ALA 2.84 2.98 1 46 PHE 4.60 4.88 1 47 ALA 2.28 1.53 1 48 LYS 0.74 1.16 1 49 LEU 1.75 0.53 1 51 ASP 2.77 2.45 1 53 THR 7.30 5.78 1 54 ILE 4.97 3.08 1 55 THR 5.73 4.41 1 56 SER 4.29 3.46 1 57 LEU 3.23 3.23 1 58 VAL 4.68 3.19 1 59 GLN 0.92 0.27 1 60 ASN -1.49 -1.00 1 63 GLN 3.17 2.46 1 64 LEU 4.09 2.66 1 66 ARG 5.11 4.52 1 67 ILE 3.31 2.86 1 68 LEU 3.94 3.22 1 69 LYS 5.73 4.45 1 70 TYR 0.61 0.34 1 71 HIS 4.25 3.32 1 72 VAL -2.91 -1.16 1 73 VAL -5.96 -2.04 1 74 ALA 1.57 0.77 1 76 ALA -2.36 -2.41 1 77 TYR -3.31 -1.54 1 78 LYS -1.13 -0.08 1 79 ALA 6.18 4.45 1 80 THR 5.00 3.59 1 81 ASP 2.37 3.13 1 82 LEU 3.54 2.74 1 83 LYS 3.62 2.94 1 84 ARG 3.24 2.62 1 85 MET 1.12 3.04 1 87 ILE -3.66 -1.15 1 88 VAL -5.65 -3.08 1 89 THR 1.91 1.56 1 90 SER -2.75 0.76 1 91 LEU 2.51 2.38 1 92 GLU 3.16 2.00 1 94 SER 1.53 1.46 1 95 THR -1.70 -0.37 1 96 ILE -2.86 -0.47 1 99 HIS -3.73 -0.57 1 101 ASP 0.38 1.60 1 102 ASN -0.90 -0.11 1 104 LEU -0.76 0.16 1 105 GLU -3.44 -1.77 1 106 VAL -2.49 -2.34 1 107 LYS 2.67 2.96 1 108 ASN 2.55 0.65 1 110 THR 0.15 0.77 1 111 VAL 2.43 0.91 1 112 LEU -1.21 0.25 1 113 ALA -1.02 0.15 1 114 ALA -5.01 -1.98 1 116 ILE 3.65 1.69 1 117 GLU -0.36 1.04 1 118 ALA -6.87 -3.00 1 119 GLU 1.58 1.97 1 122 ILE -5.64 -3.26 1 123 ILE -4.45 -1.48 1 124 HIS -5.65 -1.30 1 125 VAL 1.24 1.03 1 126 ILE -5.40 -1.65 1 127 ASP -2.18 -0.58 1 128 THR -3.97 0.04 1 129 VAL 2.00 0.71 1 130 ILE 2.22 1.55 1 131 LEU -3.54 -1.27 1 132 MET 2.08 0.60 1 134 LEU -0.44 -0.17 1 135 ASP -1.01 -0.30 1 137 ALA 0.89 0.53 1 138 HIS -0.72 1.25 1 139 SER 0.33 0.38 1 140 PHE 0.78 0.30 1 141 GLN -0.08 0.20 1 142 GLU -0.09 0.33 1 143 THR 0.12 0.11 1 144 ASN 0.21 0.17 1 145 ILE 0.14 0.16 1 147 TYR -0.02 0.00 1 148 LYS -0.49 -0.21 1 149 VAL 0.39 0.25 1 150 SER -0.28 -0.12 1 151 ALA 0.35 0.35 1 152 TRP -0.34 -0.23 1 153 SER -0.44 -0.35 1 154 HIS -0.33 1.41 1 156 GLN 0.18 0.20 1 157 PHE -0.46 -0.28 1 158 GLU -0.65 0.00 1 159 LYS 0.83 1.56 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19971_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.95 _LACS_plot.Line_1_terminator_val_y_1 4.31 _LACS_plot.Line_1_terminator_val_x_2 1.99 _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 0.83 _LACS_plot.Line_2_terminator_val_x_2 8.02 _LACS_plot.Line_2_terminator_val_y_2 -2.12 _LACS_plot.Y_axis_chem_shift_offset -0.26 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 98 ILE -2.10 -0.67 0 120 ASN -0.11 -1.64 0 115 ASP 4.84 -3.67 0 109 ALA -6.95 5.12 0 10 ASN -0.21 1.18 1 11 THR 0.07 0.86 1 14 PHE -0.28 -0.71 1 15 SER 5.43 -0.72 1 16 THR 8.02 -2.97 1 17 LEU 4.04 -0.76 1 18 VAL 7.04 -1.52 1 19 THR 6.50 -1.17 1 20 ALA 3.86 -1.03 1 21 VAL 5.31 -1.18 1 22 LYS 4.75 -0.83 1 23 VAL 5.24 -1.31 1 24 ALA -0.67 0.06 1 25 ASN 3.17 -2.05 1 26 LEU -3.07 2.14 1 27 VAL 6.24 -1.24 1 28 GLU 4.92 -1.49 1 29 ALA 4.60 -1.75 1 30 LEU 1.95 -1.13 1 31 GLN 0.96 0.85 1 36 PHE -4.76 3.87 1 37 THR -0.55 1.05 1 38 VAL -4.64 2.38 1 39 PHE -0.59 -1.19 1 40 ALA -5.18 3.43 1 42 ASN -1.47 -0.41 1 43 ASP 5.99 -1.73 1 44 ASP 4.09 -1.07 1 45 ALA 2.84 0.14 1 46 PHE 4.60 0.28 1 47 ALA 2.28 -0.75 1 48 LYS 0.74 0.42 1 49 LEU 1.75 -1.22 1 51 ASP 2.77 -0.32 1 53 THR 7.30 -1.52 1 54 ILE 4.97 -1.89 1 55 THR 5.73 -1.32 1 56 SER 4.29 -0.83 1 57 LEU 3.23 0.00 1 58 VAL 4.68 -1.49 1 59 GLN 0.92 -0.65 1 60 ASN -1.49 0.49 1 63 GLN 3.17 -0.71 1 64 LEU 4.09 -1.43 1 66 ARG 5.11 -0.59 1 67 ILE 3.31 -0.45 1 68 LEU 3.94 -0.72 1 69 LYS 5.73 -1.28 1 70 TYR 0.61 -0.27 1 71 HIS 4.25 -0.93 1 72 VAL -2.91 1.75 1 73 VAL -5.96 3.92 1 74 ALA 1.57 -0.80 1 76 ALA -2.36 -0.05 1 77 TYR -3.31 1.77 1 78 LYS -1.13 1.05 1 79 ALA 6.18 -1.73 1 80 THR 5.00 -1.41 1 81 ASP 2.37 0.76 1 82 LEU 3.54 -0.80 1 83 LYS 3.62 -0.68 1 84 ARG 3.24 -0.62 1 85 MET 1.12 1.92 1 87 ILE -3.66 2.51 1 88 VAL -5.65 2.57 1 89 THR 1.91 -0.35 1 90 SER -2.75 3.51 1 91 LEU 2.51 -0.13 1 92 GLU 3.16 -1.16 1 94 SER 1.53 -0.07 1 95 THR -1.70 1.33 1 96 ILE -2.86 2.39 1 99 HIS -3.73 3.16 1 101 ASP 0.38 1.22 1 102 ASN -0.90 0.79 1 104 LEU -0.76 0.92 1 105 GLU -3.44 1.67 1 106 VAL -2.49 0.15 1 107 LYS 2.67 0.29 1 108 ASN 2.55 -1.90 1 110 THR 0.15 0.62 1 111 VAL 2.43 -1.52 1 112 LEU -1.21 1.46 1 113 ALA -1.02 1.17 1 114 ALA -5.01 3.03 1 116 ILE 3.65 -1.96 1 117 GLU -0.36 1.40 1 118 ALA -6.87 3.87 1 119 GLU 1.58 0.39 1 122 ILE -5.64 2.38 1 123 ILE -4.45 2.97 1 124 HIS -5.65 4.35 1 125 VAL 1.24 -0.21 1 126 ILE -5.40 3.75 1 127 ASP -2.18 1.60 1 128 THR -3.97 4.01 1 129 VAL 2.00 -1.29 1 130 ILE 2.22 -0.67 1 131 LEU -3.54 2.27 1 132 MET 2.08 -1.48 1 134 LEU -0.44 0.27 1 135 ASP -1.01 0.71 1 137 ALA 0.89 -0.36 1 138 HIS -0.72 1.97 1 139 SER 0.33 0.05 1 140 PHE 0.78 -0.48 1 141 GLN -0.08 0.28 1 142 GLU -0.09 0.42 1 143 THR 0.12 -0.01 1 144 ASN 0.21 -0.04 1 145 ILE 0.14 0.02 1 147 TYR -0.02 0.02 1 148 LYS -0.49 0.28 1 149 VAL 0.39 -0.14 1 150 SER -0.28 0.16 1 151 ALA 0.35 0.00 1 152 TRP -0.34 0.11 1 153 SER -0.44 0.09 1 154 HIS -0.33 1.74 1 156 GLN 0.18 0.02 1 157 PHE -0.46 0.18 1 158 GLU -0.65 0.65 1 159 LYS 0.83 0.73 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19971_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.95 _LACS_plot.Line_1_terminator_val_y_1 0.55 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -0.18 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.17 _LACS_plot.Line_2_terminator_val_x_2 8.02 _LACS_plot.Line_2_terminator_val_y_2 -0.72 _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 14 PHE -0.28 1.07 0 126 ILE -5.40 1.44 0 10 ASN -0.21 -0.02 1 11 THR 0.07 0.14 1 15 SER 5.43 0.32 1 16 THR 8.02 -0.66 1 18 VAL 7.04 -0.84 1 19 THR 6.50 -0.62 1 20 ALA 3.86 -0.52 1 21 VAL 5.31 -0.76 1 22 LYS 4.75 -0.27 1 23 VAL 5.24 -0.46 1 24 ALA -0.67 -0.15 1 25 ASN 3.17 -0.11 1 26 LEU -3.07 0.32 1 27 VAL 6.24 -1.06 1 28 GLU 4.92 -0.45 1 29 ALA 4.60 -0.27 1 30 LEU 1.95 -0.38 1 31 GLN 0.96 -0.10 1 36 PHE -4.76 0.91 1 37 THR -0.55 0.96 1 38 VAL -4.64 0.68 1 39 PHE -0.59 0.87 1 40 ALA -5.18 0.00 1 42 ASN -1.47 -0.01 1 43 ASP 5.99 0.00 1 44 ASP 4.09 -0.25 1 45 ALA 2.84 -0.27 1 46 PHE 4.60 -0.56 1 47 ALA 2.28 0.00 1 48 LYS 0.74 -0.05 1 49 LEU 1.75 -0.16 1 51 ASP 2.77 -0.19 1 53 THR 7.30 -0.41 1 54 ILE 4.97 -0.37 1 55 THR 5.73 -0.52 1 56 SER 4.29 -0.27 1 57 LEU 3.23 -0.18 1 58 VAL 4.68 -0.40 1 59 GLN 0.92 -0.10 1 60 ASN -1.49 0.01 1 63 GLN 3.17 -0.13 1 64 LEU 4.09 -0.27 1 66 ARG 5.11 -0.43 1 67 ILE 3.31 -0.32 1 68 LEU 3.94 -0.27 1 69 LYS 5.73 -0.41 1 70 TYR 0.61 0.25 1 71 HIS 4.25 -0.31 1 72 VAL -2.91 0.87 1 73 VAL -5.96 0.29 1 74 ALA 1.57 0.23 1 76 ALA -2.36 -0.21 1 77 TYR -3.31 0.39 1 78 LYS -1.13 0.27 1 79 ALA 6.18 -0.59 1 80 THR 5.00 -0.45 1 81 ASP 2.37 -0.15 1 82 LEU 3.54 -0.59 1 83 LYS 3.62 -0.58 1 84 ARG 3.24 -0.30 1 85 MET 1.12 -0.38 1 87 ILE -3.66 0.80 1 88 VAL -5.65 0.51 1 89 THR 1.91 -0.09 1 90 SER -2.75 0.50 1 91 LEU 2.51 -0.13 1 92 GLU 3.16 -0.44 1 94 SER 1.53 0.29 1 95 THR -1.70 0.69 1 96 ILE -2.86 0.00 1 98 ILE -2.10 0.59 1 99 HIS -3.73 0.19 1 101 ASP 0.38 -0.17 1 102 ASN -0.90 -0.29 1 104 LEU -0.76 -0.33 1 105 GLU -3.44 0.49 1 106 VAL -2.49 -0.08 1 107 LYS 2.67 -0.67 1 108 ASN 2.55 -0.03 1 109 ALA -6.95 0.26 1 110 THR 0.15 0.23 1 111 VAL 2.43 0.23 1 112 LEU -1.21 0.00 1 113 ALA -1.02 0.24 1 114 ALA -5.01 1.12 1 115 ASP 4.84 -0.74 1 116 ILE 3.65 -0.27 1 117 GLU -0.36 -0.04 1 118 ALA -6.87 0.45 1 119 GLU 1.58 -0.20 1 120 ASN -0.11 0.15 1 122 ILE -5.64 0.66 1 123 ILE -4.45 0.47 1 124 HIS -5.65 0.82 1 125 VAL 1.24 0.70 1 127 ASP -2.18 -0.08 1 128 THR -3.97 0.10 1 129 VAL 2.00 -0.35 1 130 ILE 2.22 -0.06 1 131 LEU -3.54 0.20 1 132 MET 2.08 -0.56 1 134 LEU -0.44 -0.05 1 135 ASP -1.01 -0.12 1 137 ALA 0.89 -0.15 1 138 HIS -0.72 -0.16 1 139 SER 0.33 -0.12 1 140 PHE 0.78 -0.06 1 141 GLN -0.08 -0.06 1 142 GLU -0.09 -0.08 1 143 THR 0.12 -0.02 1 144 ASN 0.21 -0.05 1 145 ILE 0.14 -0.05 1 147 TYR -0.02 -0.06 1 148 LYS -0.49 -0.05 1 149 VAL 0.39 -0.10 1 150 SER -0.28 -0.13 1 151 ALA 0.35 -0.11 1 152 TRP -0.34 -0.06 1 153 SER -0.44 -0.15 1 154 HIS -0.33 -0.33 1 156 GLN 0.18 -0.09 1 157 PHE -0.46 0.04 1 158 GLU -0.65 -0.10 1 159 LYS 0.83 -0.20 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19971_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.95 _LACS_plot.Line_1_terminator_val_y_1 -2.47 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 0.31 _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 7.29 _LACS_plot.Line_2_terminator_val_y_2 1.93 _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 124 HIS -5.65 1.73 0 10 ASN -0.21 -0.55 1 14 PHE -0.28 0.07 1 15 SER 5.43 3.17 1 17 LEU 4.04 0.19 1 18 VAL 7.04 1.25 1 19 THR 6.50 0.97 1 20 ALA 3.86 0.41 1 21 VAL 5.31 1.34 1 22 LYS 4.75 4.17 1 23 VAL 5.24 0.88 1 24 ALA -0.67 -2.24 1 25 ASN 3.17 4.17 1 26 LEU -3.07 -1.67 1 27 VAL 6.24 0.45 1 28 GLU 4.92 3.87 1 29 ALA 4.60 2.72 1 30 LEU 1.95 -1.32 1 31 GLN 0.96 1.23 1 36 PHE -4.76 -0.71 1 38 VAL -4.64 -2.74 1 39 PHE -0.59 -2.60 1 42 ASN -1.47 0.30 1 43 ASP 5.99 3.53 1 44 ASP 4.09 1.51 1 45 ALA 2.84 3.98 1 46 PHE 4.60 2.54 1 47 ALA 2.28 -0.23 1 48 LYS 0.74 1.54 1 53 THR 7.30 1.38 1 54 ILE 4.97 0.50 1 55 THR 5.73 1.43 1 56 SER 4.29 2.29 1 57 LEU 3.23 1.44 1 58 VAL 4.68 0.47 1 59 GLN 0.92 -0.83 1 63 GLN 3.17 2.12 1 64 LEU 4.09 0.90 1 66 ARG 5.11 0.60 1 67 ILE 3.31 3.52 1 68 LEU 3.94 -1.83 1 69 LYS 5.73 1.26 1 70 TYR 0.61 -3.17 1 71 HIS 4.25 -0.64 1 72 VAL -2.91 -3.08 1 73 VAL -5.96 -1.37 1 74 ALA 1.57 -1.01 1 77 TYR -3.31 -1.12 1 78 LYS -1.13 0.93 1 79 ALA 6.18 2.10 1 80 THR 5.00 2.26 1 81 ASP 2.37 1.39 1 82 LEU 3.54 0.78 1 83 LYS 3.62 1.58 1 84 ARG 3.24 2.01 1 85 MET 1.12 2.81 1 87 ILE -3.66 -2.88 1 88 VAL -5.65 -2.09 1 89 THR 1.91 -0.92 1 90 SER -2.75 2.21 1 91 LEU 2.51 1.31 1 92 GLU 3.16 -0.51 1 94 SER 1.53 0.88 1 95 THR -1.70 -0.21 1 98 ILE -2.10 -0.82 1 99 HIS -3.73 -1.21 1 101 ASP 0.38 -2.35 1 104 LEU -0.76 -3.10 1 105 GLU -3.44 -1.95 1 106 VAL -2.49 -1.66 1 107 LYS 2.67 -2.92 1 108 ASN 2.55 -2.46 1 109 ALA -6.95 -1.45 1 111 VAL 2.43 -0.20 1 112 LEU -1.21 -0.03 1 113 ALA -1.02 -4.06 1 114 ALA -5.01 0.26 1 115 ASP 4.84 -1.12 1 116 ILE 3.65 -0.63 1 117 GLU -0.36 -1.88 1 118 ALA -6.87 -0.46 1 119 GLU 1.58 -0.21 1 120 ASN -0.11 -1.43 1 122 ILE -5.64 -3.02 1 123 ILE -4.45 -3.45 1 125 VAL 1.24 1.03 1 126 ILE -5.40 -1.16 1 127 ASP -2.18 0.90 1 128 THR -3.97 -3.96 1 129 VAL 2.00 -0.18 1 130 ILE 2.22 -1.94 1 131 LEU -3.54 -0.69 1 134 LEU -0.44 -0.96 1 137 ALA 0.89 0.14 1 138 HIS -0.72 1.30 1 139 SER 0.33 -0.43 1 140 PHE 0.78 -0.32 1 141 GLN -0.08 -0.35 1 142 GLU -0.09 -0.03 1 143 THR 0.12 -0.57 1 144 ASN 0.21 -0.71 1 147 TYR -0.02 -0.58 1 148 LYS -0.49 -0.75 1 149 VAL 0.39 -0.20 1 150 SER -0.28 -0.34 1 151 ALA 0.35 -0.60 1 152 TRP -0.34 1.83 1 153 SER -0.44 -1.40 1 156 GLN 0.18 -0.41 1 157 PHE -0.46 -0.40 1 158 GLU -0.65 -1.50 1 stop_ save_