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 bmr15388_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.89 _LACS_plot.Line_1_terminator_val_y_1 -3.41 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.41 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.67 _LACS_plot.Line_2_terminator_val_x_2 10.00 _LACS_plot.Line_2_terminator_val_y_2 7.84 _LACS_plot.Y_axis_chem_shift_offset 0.27 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 36 ILE 4.68 -3.97 0 10 GLU 1.85 1.20 1 11 GLN -0.10 -0.30 1 12 LEU -0.82 -0.24 1 13 THR -2.40 -1.30 1 14 GLU 3.70 2.90 1 15 GLU 4.40 3.50 1 16 GLN 2.75 2.80 1 17 LYS 6.50 5.20 1 18 ASN 3.85 2.58 1 19 GLU 3.55 2.70 1 20 PHE 2.80 0.40 1 21 LYS 3.61 2.51 1 22 ALA 3.61 2.17 1 23 ALA 2.53 1.98 1 24 PHE 3.80 4.30 1 25 ASP 3.36 2.21 1 26 ILE 4.12 2.77 1 27 PHE 8.27 6.71 1 28 VAL 1.38 0.00 1 29 LEU 2.62 1.08 1 31 ALA -0.60 -0.35 1 32 GLU 1.75 1.50 1 33 ASP -0.40 -0.90 1 35 SER -2.98 -1.46 1 38 THR 5.87 3.97 1 40 GLU 10.00 10.10 1 41 LEU 2.70 2.40 1 43 LYS 4.06 3.20 1 44 VAL 5.02 3.46 1 45 MET 4.92 3.02 1 46 ARG 4.00 2.95 1 47 MET 3.86 3.40 1 48 LEU -0.15 -0.90 1 50 GLN -3.23 -1.90 1 51 ASN -0.81 -0.51 1 53 THR 2.32 0.12 1 55 GLU 4.98 3.68 1 56 GLU 2.06 1.91 1 57 LEU 3.25 2.50 1 58 GLN 3.80 2.50 1 59 GLU 3.20 2.60 1 60 MET 2.00 2.40 1 61 ILE 5.68 4.47 1 62 ASP 3.49 2.68 1 63 GLU 0.55 0.96 1 64 VAL 1.04 0.16 1 65 ASP 0.54 -1.45 1 66 GLU 1.89 2.31 1 67 ASP -0.50 -2.00 1 69 SER 0.83 1.53 1 71 THR -6.89 -3.87 1 72 VAL -2.02 -1.35 1 73 ASP -2.55 -1.85 1 74 PHE 5.50 4.20 1 75 ASP 4.10 3.10 1 76 GLU 1.71 1.70 1 77 PHE 3.18 3.10 1 78 LEU 3.79 2.75 1 79 VAL 6.40 4.26 1 80 MET 3.65 3.60 1 81 MET 2.68 0.50 1 82 VAL 5.21 3.40 1 83 ARG 3.80 2.78 1 84 SER 2.20 1.70 1 85 MET 0.85 1.39 1 86 LYS 0.60 0.30 1 87 ASP -0.13 -0.15 1 88 ASP 0.15 0.05 1 89 SER 0.80 0.50 1 90 LYS 0.50 0.10 1 92 LYS -0.90 -0.30 1 93 SER -1.60 -0.80 1 94 GLU 3.99 3.21 1 95 GLU 3.90 3.00 1 96 GLU 2.40 2.40 1 97 LEU 3.30 2.80 1 98 SER 4.44 3.19 1 99 ASP 4.05 3.17 1 100 LEU 1.80 2.70 1 101 PHE 4.83 3.93 1 102 ARG 3.54 2.43 1 103 MET 2.92 2.50 1 104 PHE 1.90 1.30 1 105 ASP 1.50 -1.90 1 106 LYS 2.60 2.00 1 107 ASN 0.72 -1.86 1 108 ALA 2.70 0.30 1 109 ASP -1.00 -1.30 1 111 TYR -6.08 -2.32 1 112 ILE -0.92 -1.81 1 113 ASP -3.22 -2.47 1 114 LEU 3.97 3.60 1 115 ASP 3.96 3.32 1 116 GLU 2.20 1.90 1 117 LEU 2.89 2.50 1 118 LYS 5.05 4.20 1 119 ILE 4.18 3.20 1 120 MET 3.35 2.90 1 121 LEU 2.98 1.90 1 122 GLN 3.04 1.97 1 123 ALA 1.43 1.25 1 124 THR 0.15 0.15 1 126 GLU -1.18 -0.68 1 127 THR 1.50 0.60 1 128 ILE -2.60 -1.60 1 129 THR -3.60 -1.80 1 130 GLU 3.91 3.20 1 131 ASP 3.30 2.70 1 132 ASP 2.90 2.80 1 133 ILE 5.05 3.65 1 134 GLU 3.88 3.12 1 135 GLU 3.72 3.10 1 136 LEU 3.43 2.89 1 137 MET 3.80 2.10 1 138 LYS 3.65 2.73 1 139 ASP 1.55 1.55 1 141 ASP 0.54 -1.20 1 142 LYS 1.70 1.10 1 143 ASN -0.17 -1.87 1 144 ASN 3.10 1.51 1 145 ASP -1.05 -1.67 1 147 ARG -5.40 -2.10 1 148 ILE -1.92 -1.71 1 149 ASP -2.78 -1.85 1 150 TYR 4.69 4.26 1 151 ASP 4.22 3.60 1 152 GLU 1.87 1.96 1 153 TRP 2.48 2.63 1 154 LEU 3.56 2.53 1 155 GLU 2.11 2.13 1 156 PHE 1.40 1.94 1 157 MET 0.41 -1.26 1 158 LYS 2.64 1.79 1 160 VAL 0.27 -0.10 1 161 GLU 2.76 5.62 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15388_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.89 _LACS_plot.Line_1_terminator_val_y_1 3.48 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.59 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.33 _LACS_plot.Line_2_terminator_val_x_2 10.00 _LACS_plot.Line_2_terminator_val_y_2 -2.16 _LACS_plot.Y_axis_chem_shift_offset 0.27 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 36 ILE 4.68 -8.65 0 10 GLU 1.85 -0.65 1 11 GLN -0.10 -0.20 1 12 LEU -0.82 0.58 1 13 THR -2.40 1.10 1 14 GLU 3.70 -0.80 1 15 GLU 4.40 -0.90 1 16 GLN 2.75 0.05 1 17 LYS 6.50 -1.30 1 18 ASN 3.85 -1.27 1 19 GLU 3.55 -0.85 1 20 PHE 2.80 -2.40 1 21 LYS 3.61 -1.10 1 22 ALA 3.61 -1.44 1 23 ALA 2.53 -0.55 1 24 PHE 3.80 0.50 1 25 ASP 3.36 -1.15 1 26 ILE 4.12 -1.35 1 27 PHE 8.27 -1.56 1 28 VAL 1.38 -1.38 1 29 LEU 2.62 -1.54 1 31 ALA -0.60 0.25 1 32 GLU 1.75 -0.25 1 33 ASP -0.40 -0.50 1 35 SER -2.98 1.52 1 38 THR 5.87 -1.90 1 40 GLU 10.00 0.10 1 41 LEU 2.70 -0.30 1 43 LYS 4.06 -0.86 1 44 VAL 5.02 -1.56 1 45 MET 4.92 -1.90 1 46 ARG 4.00 -1.05 1 47 MET 3.86 -0.46 1 48 LEU -0.15 -0.75 1 50 GLN -3.23 1.33 1 51 ASN -0.81 0.30 1 53 THR 2.32 -2.20 1 55 GLU 4.98 -1.30 1 56 GLU 2.06 -0.15 1 57 LEU 3.25 -0.75 1 58 GLN 3.80 -1.30 1 59 GLU 3.20 -0.60 1 60 MET 2.00 0.40 1 61 ILE 5.68 -1.21 1 62 ASP 3.49 -0.81 1 63 GLU 0.55 0.41 1 64 VAL 1.04 -0.88 1 65 ASP 0.54 -1.99 1 66 GLU 1.89 0.42 1 67 ASP -0.50 -1.50 1 69 SER 0.83 0.70 1 71 THR -6.89 3.02 1 72 VAL -2.02 0.67 1 73 ASP -2.55 0.70 1 74 PHE 5.50 -1.30 1 75 ASP 4.10 -1.00 1 76 GLU 1.71 -0.01 1 77 PHE 3.18 -0.08 1 78 LEU 3.79 -1.04 1 79 VAL 6.40 -2.14 1 80 MET 3.65 -0.05 1 81 MET 2.68 -2.18 1 82 VAL 5.21 -1.81 1 83 ARG 3.80 -1.02 1 84 SER 2.20 -0.50 1 85 MET 0.85 0.54 1 86 LYS 0.60 -0.30 1 87 ASP -0.13 -0.02 1 88 ASP 0.15 -0.10 1 89 SER 0.80 -0.30 1 90 LYS 0.50 -0.40 1 92 LYS -0.90 0.60 1 93 SER -1.60 0.80 1 94 GLU 3.99 -0.78 1 95 GLU 3.90 -0.90 1 96 GLU 2.40 0.00 1 97 LEU 3.30 -0.50 1 98 SER 4.44 -1.25 1 99 ASP 4.05 -0.88 1 100 LEU 1.80 0.90 1 101 PHE 4.83 -0.90 1 102 ARG 3.54 -1.11 1 103 MET 2.92 -0.42 1 104 PHE 1.90 -0.60 1 105 ASP 1.50 -3.40 1 106 LYS 2.60 -0.60 1 107 ASN 0.72 -2.58 1 108 ALA 2.70 -2.40 1 109 ASP -1.00 -0.30 1 111 TYR -6.08 3.76 1 112 ILE -0.92 -0.89 1 113 ASP -3.22 0.75 1 114 LEU 3.97 -0.37 1 115 ASP 3.96 -0.64 1 116 GLU 2.20 -0.30 1 117 LEU 2.89 -0.39 1 118 LYS 5.05 -0.85 1 119 ILE 4.18 -0.98 1 120 MET 3.35 -0.45 1 121 LEU 2.98 -1.08 1 122 GLN 3.04 -1.07 1 123 ALA 1.43 -0.18 1 124 THR 0.15 0.00 1 126 GLU -1.18 0.50 1 127 THR 1.50 -0.90 1 128 ILE -2.60 1.00 1 129 THR -3.60 1.80 1 130 GLU 3.91 -0.71 1 131 ASP 3.30 -0.60 1 132 ASP 2.90 -0.10 1 133 ILE 5.05 -1.40 1 134 GLU 3.88 -0.76 1 135 GLU 3.72 -0.62 1 136 LEU 3.43 -0.54 1 137 MET 3.80 -1.70 1 138 LYS 3.65 -0.92 1 139 ASP 1.55 0.00 1 141 ASP 0.54 -1.74 1 142 LYS 1.70 -0.60 1 143 ASN -0.17 -1.70 1 144 ASN 3.10 -1.59 1 145 ASP -1.05 -0.62 1 147 ARG -5.40 3.30 1 148 ILE -1.92 0.21 1 149 ASP -2.78 0.93 1 150 TYR 4.69 -0.43 1 151 ASP 4.22 -0.62 1 152 GLU 1.87 0.09 1 153 TRP 2.48 0.15 1 154 LEU 3.56 -1.03 1 155 GLU 2.11 0.02 1 156 PHE 1.40 0.54 1 157 MET 0.41 -1.67 1 158 LYS 2.64 -0.85 1 160 VAL 0.27 -0.37 1 161 GLU 2.76 2.86 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15388_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.89 _LACS_plot.Line_1_terminator_val_y_1 0.67 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.19 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.19 _LACS_plot.Line_2_terminator_val_x_2 8.27 _LACS_plot.Line_2_terminator_val_y_2 -0.77 _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 101 PHE 4.83 -1.55 0 10 GLU 1.85 -0.31 1 11 GLN -0.10 -0.04 1 12 LEU -0.82 0.16 1 13 THR -2.40 0.07 1 14 GLU 3.70 -0.41 1 15 GLU 4.40 -0.32 1 16 GLN 2.75 -0.54 1 17 LYS 6.50 -0.45 1 18 ASN 3.85 -0.21 1 19 GLU 3.55 -0.18 1 20 PHE 2.80 0.41 1 21 LYS 3.61 -0.35 1 22 ALA 3.61 -0.13 1 23 ALA 2.53 -0.10 1 24 PHE 3.80 -1.04 1 25 ASP 3.36 -0.28 1 26 ILE 4.12 -0.51 1 27 PHE 8.27 -0.26 1 28 VAL 1.38 -0.17 1 29 LEU 2.62 -0.25 1 31 ALA -0.60 0.06 1 32 GLU 1.75 -0.21 1 33 ASP -0.40 0.04 1 35 SER -2.98 0.55 1 36 ILE 4.68 0.17 1 38 THR 5.87 -0.58 1 41 LEU 2.70 -0.46 1 43 LYS 4.06 -0.34 1 44 VAL 5.02 -0.61 1 45 MET 4.92 -0.39 1 46 ARG 4.00 0.25 1 47 MET 3.86 -0.21 1 48 LEU -0.15 0.20 1 50 GLN -3.23 0.17 1 51 ASN -0.81 0.09 1 53 THR 2.32 0.00 1 55 GLU 4.98 -0.33 1 56 GLU 2.06 -0.33 1 57 LEU 3.25 -0.31 1 58 GLN 3.80 -0.51 1 59 GLU 3.20 -0.28 1 60 MET 2.00 -0.49 1 61 ILE 5.68 -0.83 1 62 ASP 3.49 -0.34 1 63 GLU 0.55 -0.14 1 64 VAL 1.04 -0.16 1 65 ASP 0.54 0.34 1 66 GLU 1.89 -0.28 1 67 ASP -0.50 0.01 1 69 SER 0.83 -0.26 1 71 THR -6.89 0.65 1 72 VAL -2.02 1.00 1 73 ASP -2.55 0.55 1 74 PHE 5.50 -1.20 1 75 ASP 4.10 -0.39 1 76 GLU 1.71 -0.36 1 77 PHE 3.18 -0.70 1 78 LEU 3.79 -0.97 1 79 VAL 6.40 -0.87 1 80 MET 3.65 -0.86 1 81 MET 2.68 -0.46 1 82 VAL 5.21 -0.18 1 83 ARG 3.80 -0.50 1 84 SER 2.20 -0.18 1 85 MET 0.85 -0.17 1 86 LYS 0.60 -0.01 1 87 ASP -0.13 0.03 1 88 ASP 0.15 0.05 1 89 SER 0.80 -0.06 1 90 LYS 0.50 0.05 1 92 LYS -0.90 0.11 1 93 SER -1.60 0.02 1 94 GLU 3.99 -0.35 1 95 GLU 3.90 0.09 1 96 GLU 2.40 -0.11 1 97 LEU 3.30 0.04 1 98 SER 4.44 0.01 1 99 ASP 4.05 -0.15 1 100 LEU 1.80 -0.11 1 102 ARG 3.54 -0.41 1 103 MET 2.92 -0.57 1 104 PHE 1.90 -0.16 1 105 ASP 1.50 -0.16 1 106 LYS 2.60 -0.37 1 107 ASN 0.72 -0.01 1 108 ALA 2.70 -0.30 1 109 ASP -1.00 0.06 1 111 TYR -6.08 0.74 1 112 ILE -0.92 0.70 1 113 ASP -3.22 0.25 1 114 LEU 3.97 -0.36 1 115 ASP 3.96 -0.27 1 116 GLU 2.20 -0.27 1 117 LEU 2.89 -0.36 1 118 LYS 5.05 -0.48 1 119 ILE 4.18 -0.36 1 120 MET 3.35 -0.96 1 121 LEU 2.98 -0.24 1 122 GLN 3.04 -0.11 1 123 ALA 1.43 0.06 1 124 THR 0.15 0.05 1 126 GLU -1.18 0.05 1 127 THR 1.50 -0.06 1 128 ILE -2.60 0.43 1 129 THR -3.60 0.25 1 130 GLU 3.91 -0.37 1 131 ASP 3.30 -0.24 1 132 ASP 2.90 -0.18 1 133 ILE 5.05 -0.57 1 134 GLU 3.88 -0.47 1 135 GLU 3.72 -0.25 1 136 LEU 3.43 -0.34 1 137 MET 3.80 -0.32 1 138 LYS 3.65 -0.26 1 139 ASP 1.55 -0.13 1 141 ASP 0.54 -0.02 1 142 LYS 1.70 -0.12 1 143 ASN -0.17 0.11 1 144 ASN 3.10 -0.25 1 145 ASP -1.05 0.08 1 147 ARG -5.40 0.47 1 148 ILE -1.92 1.09 1 149 ASP -2.78 0.63 1 150 TYR 4.69 -1.17 1 151 ASP 4.22 -0.38 1 152 GLU 1.87 -0.23 1 153 TRP 2.48 -0.34 1 154 LEU 3.56 -0.71 1 155 GLU 2.11 -0.31 1 156 PHE 1.40 -0.24 1 157 MET 0.41 -0.43 1 158 LYS 2.64 -0.24 1 160 VAL 0.27 -0.05 1 161 GLU 2.76 -0.26 1 stop_ save_