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 bmr15400_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.56 _LACS_plot.Line_1_terminator_val_y_1 -3.02 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.78 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.36 _LACS_plot.Line_2_terminator_val_x_2 7.00 _LACS_plot.Line_2_terminator_val_y_2 5.56 _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 ASP 1.52 -1.72 0 111 TYR -6.17 -1.91 0 10 GLU 2.08 1.65 1 11 GLN -0.04 -0.03 1 12 LEU -0.75 0.03 1 13 THR -2.34 -1.06 1 14 GLU 3.77 3.19 1 15 GLU 4.46 3.71 1 16 GLN 2.78 3.04 1 17 LYS 6.51 5.44 1 18 ASN 3.91 2.86 1 19 GLU 3.56 2.94 1 20 PHE 2.69 0.50 1 21 LYS 3.64 2.75 1 22 ALA 3.65 2.39 1 23 ALA 2.63 2.25 1 24 PHE 3.76 4.54 1 25 ASP 3.40 2.58 1 26 ILE 4.11 2.84 1 28 VAL 1.70 0.60 1 29 LEU 2.70 1.29 1 31 ALA -0.43 -0.05 1 32 GLU 1.91 1.79 1 33 ASP -0.36 -0.63 1 35 SER -2.94 -0.86 1 36 ILE -3.20 -1.30 1 38 THR 6.10 4.10 1 39 LYS 3.50 2.60 1 40 GLU 0.29 0.26 1 41 LEU 2.80 2.68 1 43 LYS 4.03 3.39 1 44 VAL 5.02 3.70 1 45 MET 4.93 3.31 1 46 ARG 4.04 3.17 1 47 MET 3.97 3.62 1 48 LEU -0.32 -0.62 1 50 GLN -3.15 -1.63 1 51 ASN -0.78 0.01 1 53 THR 2.40 0.70 1 55 GLU 4.93 3.87 1 56 GLU 2.13 2.25 1 57 LEU 3.09 2.77 1 58 GLN 3.82 2.72 1 59 GLU 3.18 2.77 1 60 MET 7.00 3.60 1 61 ILE 5.80 5.00 1 62 ASP 3.70 3.00 1 64 VAL 1.70 1.00 1 65 ASP 0.66 -1.27 1 66 GLU 1.96 2.52 1 67 ASP -0.39 -1.64 1 69 SER 0.83 1.83 1 71 THR -6.56 -3.38 1 72 VAL -2.00 -1.18 1 73 ASP -2.43 -1.65 1 74 PHE 4.80 3.75 1 75 ASP 4.26 3.69 1 76 GLU 1.76 1.90 1 77 PHE 3.16 3.36 1 78 LEU 3.84 2.99 1 79 VAL 6.39 4.42 1 80 MET 4.02 3.78 1 81 MET 2.88 0.77 1 82 VAL 5.26 3.58 1 83 ARG 3.88 3.04 1 84 SER 2.18 2.02 1 85 MET 0.90 1.63 1 86 LYS 0.61 0.53 1 87 ASP 0.05 0.20 1 88 ASP 0.20 0.29 1 89 SER 0.77 0.72 1 90 LYS 0.45 0.33 1 92 LYS -0.84 0.00 1 93 SER -1.50 -0.38 1 94 GLU 4.17 3.49 1 95 GLU 3.76 3.21 1 96 GLU 2.49 2.65 1 97 LEU 3.41 3.11 1 98 SER 4.50 3.30 1 99 ASP 4.16 3.38 1 100 LEU 1.61 2.94 1 101 PHE 4.87 4.44 1 102 ARG 3.58 2.87 1 103 MET 3.00 2.80 1 104 PHE 2.19 1.83 1 106 LYS 2.65 2.29 1 107 ASN 0.69 -1.46 1 108 ALA 2.75 0.61 1 109 ASP -0.96 -1.03 1 112 ILE -0.76 -1.48 1 113 ASP -3.22 -2.28 1 114 LEU 4.17 3.97 1 115 ASP 3.95 3.51 1 116 GLU 2.32 2.22 1 117 LEU 2.89 2.80 1 118 LYS 5.08 4.49 1 119 ILE 4.27 3.46 1 120 MET 3.72 3.17 1 121 LEU 3.03 2.10 1 122 GLN 3.07 2.27 1 123 ALA 1.72 1.61 1 124 THR 0.21 0.55 1 126 GLU -1.00 -0.45 1 127 THR 1.47 0.77 1 128 ILE -2.44 -1.33 1 129 THR -2.92 -1.13 1 130 GLU 4.14 3.57 1 131 ASP 3.38 2.76 1 132 ASP 3.20 2.90 1 133 ILE 5.09 3.91 1 134 GLU 3.90 3.32 1 135 GLU 3.17 2.70 1 136 LEU 3.39 3.13 1 137 MET 3.95 2.16 1 138 LYS 3.74 2.94 1 139 ASP 1.77 2.13 1 141 ASP 0.47 -1.06 1 142 LYS 1.73 1.66 1 143 ASN 0.27 -1.45 1 144 ASN 3.13 1.95 1 145 ASP -1.01 -1.17 1 147 ARG -5.29 -1.98 1 148 ILE -1.83 -1.24 1 149 ASP -2.76 -1.82 1 150 TYR 4.76 4.34 1 151 ASP 4.10 3.66 1 152 GLU 1.93 2.17 1 154 LEU 3.72 3.01 1 155 GLU 2.03 2.13 1 156 PHE 0.85 1.62 1 157 MET 0.18 -1.04 1 158 LYS 2.73 2.07 1 160 VAL 0.33 0.09 1 161 GLU 0.24 1.55 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15400_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.56 _LACS_plot.Line_1_terminator_val_y_1 3.54 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.22 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.64 _LACS_plot.Line_2_terminator_val_x_2 7.00 _LACS_plot.Line_2_terminator_val_y_2 -1.44 _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 ASP 1.52 -3.24 0 111 TYR -6.17 4.26 0 10 GLU 2.08 -0.43 1 11 GLN -0.04 0.01 1 12 LEU -0.75 0.78 1 13 THR -2.34 1.28 1 14 GLU 3.77 -0.58 1 15 GLU 4.46 -0.75 1 16 GLN 2.78 0.26 1 17 LYS 6.51 -1.07 1 18 ASN 3.91 -1.05 1 19 GLU 3.56 -0.62 1 20 PHE 2.69 -2.19 1 21 LYS 3.64 -0.89 1 22 ALA 3.65 -1.26 1 23 ALA 2.63 -0.38 1 24 PHE 3.76 0.78 1 25 ASP 3.40 -0.82 1 26 ILE 4.11 -1.27 1 28 VAL 1.70 -1.10 1 29 LEU 2.70 -1.41 1 31 ALA -0.43 0.38 1 32 GLU 1.91 -0.12 1 33 ASP -0.36 -0.27 1 35 SER -2.94 2.08 1 36 ILE -3.20 1.90 1 38 THR 6.10 -2.00 1 39 LYS 3.50 -0.90 1 40 GLU 0.29 -0.03 1 41 LEU 2.80 -0.12 1 43 LYS 4.03 -0.64 1 44 VAL 5.02 -1.32 1 45 MET 4.93 -1.62 1 46 ARG 4.04 -0.87 1 47 MET 3.97 -0.35 1 48 LEU -0.32 -0.30 1 50 GLN -3.15 1.52 1 51 ASN -0.78 0.79 1 53 THR 2.40 -1.70 1 55 GLU 4.93 -1.06 1 56 GLU 2.13 0.12 1 57 LEU 3.09 -0.32 1 58 GLN 3.82 -1.10 1 59 GLU 3.18 -0.41 1 60 MET 7.00 -3.40 1 61 ILE 5.80 -0.80 1 62 ASP 3.70 -0.70 1 64 VAL 1.70 -0.70 1 65 ASP 0.66 -1.93 1 66 GLU 1.96 0.56 1 67 ASP -0.39 -1.25 1 69 SER 0.83 1.00 1 71 THR -6.56 3.18 1 72 VAL -2.00 0.82 1 73 ASP -2.43 0.78 1 74 PHE 4.80 -1.05 1 75 ASP 4.26 -0.57 1 76 GLU 1.76 0.14 1 77 PHE 3.16 0.20 1 78 LEU 3.84 -0.85 1 79 VAL 6.39 -1.97 1 80 MET 4.02 -0.24 1 81 MET 2.88 -2.11 1 82 VAL 5.26 -1.68 1 83 ARG 3.88 -0.84 1 84 SER 2.18 -0.16 1 85 MET 0.90 0.73 1 86 LYS 0.61 -0.08 1 87 ASP 0.05 0.15 1 88 ASP 0.20 0.09 1 89 SER 0.77 -0.05 1 90 LYS 0.45 -0.12 1 92 LYS -0.84 0.84 1 93 SER -1.50 1.12 1 94 GLU 4.17 -0.68 1 95 GLU 3.76 -0.55 1 96 GLU 2.49 0.16 1 97 LEU 3.41 -0.30 1 98 SER 4.50 -1.20 1 99 ASP 4.16 -0.78 1 100 LEU 1.61 1.33 1 101 PHE 4.87 -0.43 1 102 ARG 3.58 -0.71 1 103 MET 3.00 -0.20 1 104 PHE 2.19 -0.36 1 106 LYS 2.65 -0.36 1 107 ASN 0.69 -2.15 1 108 ALA 2.75 -2.14 1 109 ASP -0.96 -0.07 1 112 ILE -0.76 -0.72 1 113 ASP -3.22 0.94 1 114 LEU 4.17 -0.20 1 115 ASP 3.95 -0.44 1 116 GLU 2.32 -0.10 1 117 LEU 2.89 -0.09 1 118 LYS 5.08 -0.59 1 119 ILE 4.27 -0.81 1 120 MET 3.72 -0.55 1 121 LEU 3.03 -0.93 1 122 GLN 3.07 -0.80 1 123 ALA 1.72 -0.11 1 124 THR 0.21 0.34 1 126 GLU -1.00 0.55 1 127 THR 1.47 -0.70 1 128 ILE -2.44 1.11 1 129 THR -2.92 1.79 1 130 GLU 4.14 -0.57 1 131 ASP 3.38 -0.62 1 132 ASP 3.20 -0.30 1 133 ILE 5.09 -1.18 1 134 GLU 3.90 -0.58 1 135 GLU 3.17 -0.47 1 136 LEU 3.39 -0.26 1 137 MET 3.95 -1.79 1 138 LYS 3.74 -0.80 1 139 ASP 1.77 0.36 1 141 ASP 0.47 -1.53 1 142 LYS 1.73 -0.07 1 143 ASN 0.27 -1.72 1 144 ASN 3.13 -1.18 1 145 ASP -1.01 -0.16 1 147 ARG -5.29 3.31 1 148 ILE -1.83 0.59 1 149 ASP -2.76 0.94 1 150 TYR 4.76 -0.42 1 151 ASP 4.10 -0.44 1 152 GLU 1.93 0.24 1 154 LEU 3.72 -0.71 1 155 GLU 2.03 0.10 1 156 PHE 0.85 0.77 1 157 MET 0.18 -1.22 1 158 LYS 2.73 -0.66 1 160 VAL 0.33 -0.24 1 161 GLU 0.24 1.31 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15400_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.56 _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 -0.17 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.22 _LACS_plot.Line_2_terminator_val_x_2 7.00 _LACS_plot.Line_2_terminator_val_y_2 -0.64 _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 101 PHE 4.87 -1.52 0 10 GLU 2.08 -0.22 1 11 GLN -0.04 -0.03 1 12 LEU -0.75 0.17 1 13 THR -2.34 0.09 1 14 GLU 3.77 -0.39 1 15 GLU 4.46 -0.30 1 16 GLN 2.78 -0.53 1 17 LYS 6.51 -0.46 1 18 ASN 3.91 -0.19 1 19 GLU 3.56 -0.16 1 20 PHE 2.69 0.42 1 21 LYS 3.64 -0.36 1 22 ALA 3.65 -0.12 1 23 ALA 2.63 -0.06 1 24 PHE 3.76 -1.01 1 25 ASP 3.40 -0.27 1 26 ILE 4.11 -0.50 1 28 VAL 1.70 -0.17 1 29 LEU 2.70 -0.23 1 31 ALA -0.43 0.06 1 32 GLU 1.91 -0.19 1 33 ASP -0.36 0.05 1 35 SER -2.94 0.57 1 36 ILE -3.20 0.21 1 38 THR 6.10 -0.58 1 39 LYS 3.50 -0.18 1 40 GLU 0.29 0.06 1 41 LEU 2.80 -0.48 1 43 LYS 4.03 -0.32 1 44 VAL 5.02 -0.60 1 45 MET 4.93 -0.36 1 46 ARG 4.04 0.27 1 47 MET 3.97 -0.19 1 48 LEU -0.32 0.22 1 50 GLN -3.15 0.18 1 51 ASN -0.78 -0.31 1 53 THR 2.40 0.31 1 55 GLU 4.93 -0.31 1 56 GLU 2.13 -0.32 1 57 LEU 3.09 -0.28 1 58 GLN 3.82 -0.50 1 59 GLU 3.18 -0.28 1 60 MET 7.00 -0.46 1 61 ILE 5.80 -0.83 1 62 ASP 3.70 -0.30 1 64 VAL 1.70 0.12 1 65 ASP 0.66 0.34 1 66 GLU 1.96 -0.28 1 67 ASP -0.39 0.02 1 69 SER 0.83 -0.24 1 71 THR -6.56 0.64 1 72 VAL -2.00 1.02 1 73 ASP -2.43 0.55 1 74 PHE 4.80 -0.71 1 75 ASP 4.26 -0.44 1 76 GLU 1.76 -0.35 1 77 PHE 3.16 -0.71 1 78 LEU 3.84 -0.96 1 79 VAL 6.39 -0.85 1 80 MET 4.02 -0.84 1 81 MET 2.88 -0.45 1 82 VAL 5.26 -0.16 1 83 ARG 3.88 -0.49 1 84 SER 2.18 -0.18 1 85 MET 0.90 -0.16 1 86 LYS 0.61 0.00 1 87 ASP 0.05 0.04 1 88 ASP 0.20 0.04 1 89 SER 0.77 -0.04 1 90 LYS 0.45 0.06 1 92 LYS -0.84 0.13 1 93 SER -1.50 0.04 1 94 GLU 4.17 -0.35 1 95 GLU 3.76 -0.22 1 96 GLU 2.49 -0.10 1 97 LEU 3.41 0.05 1 98 SER 4.50 0.05 1 99 ASP 4.16 -0.12 1 100 LEU 1.61 -0.06 1 102 ARG 3.58 -0.38 1 103 MET 3.00 -0.55 1 104 PHE 2.19 -0.15 1 105 ASP 1.52 -0.12 1 106 LYS 2.65 -0.34 1 107 ASN 0.69 -0.01 1 108 ALA 2.75 -0.30 1 109 ASP -0.96 0.05 1 111 TYR -6.17 0.73 1 112 ILE -0.76 0.72 1 113 ASP -3.22 0.27 1 114 LEU 4.17 -0.34 1 115 ASP 3.95 -0.25 1 116 GLU 2.32 -0.26 1 117 LEU 2.89 -0.32 1 118 LYS 5.08 -0.48 1 119 ILE 4.27 -0.36 1 120 MET 3.72 -0.88 1 121 LEU 3.03 -0.23 1 122 GLN 3.07 -0.07 1 123 ALA 1.72 0.05 1 124 THR 0.21 0.10 1 126 GLU -1.00 0.07 1 127 THR 1.47 -0.04 1 128 ILE -2.44 0.45 1 129 THR -2.92 0.29 1 130 GLU 4.14 -0.36 1 131 ASP 3.38 -0.21 1 132 ASP 3.20 -0.16 1 133 ILE 5.09 -0.54 1 134 GLU 3.90 -0.45 1 135 GLU 3.17 -0.32 1 136 LEU 3.39 -0.21 1 137 MET 3.95 -0.36 1 138 LYS 3.74 -0.25 1 139 ASP 1.77 -0.12 1 141 ASP 0.47 -0.01 1 142 LYS 1.73 -0.13 1 143 ASN 0.27 0.11 1 144 ASN 3.13 -0.23 1 145 ASP -1.01 0.09 1 147 ARG -5.29 0.52 1 148 ILE -1.83 1.06 1 149 ASP -2.76 0.66 1 150 TYR 4.76 -1.28 1 151 ASP 4.10 -0.39 1 152 GLU 1.93 -0.22 1 154 LEU 3.72 -0.67 1 155 GLU 2.03 -0.29 1 156 PHE 0.85 -0.15 1 157 MET 0.18 -0.42 1 158 LYS 2.73 -0.27 1 160 VAL 0.33 -0.07 1 stop_ save_