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 bmr5324_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.28 _LACS_plot.Line_1_terminator_val_y_1 -6.41 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -3.05 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -5.05 _LACS_plot.Line_2_terminator_val_x_2 9.48 _LACS_plot.Line_2_terminator_val_y_2 3.61 _LACS_plot.Y_axis_chem_shift_offset 3.66 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 97 ASN 9.48 -0.78 0 12 LYS -3.03 -1.27 0 11 ASN 3.17 -0.64 1 13 PHE 1.34 -2.81 1 14 LYS 5.07 0.96 1 15 LYS 5.11 0.82 1 17 ALA 3.58 -0.24 1 18 LEU 4.66 -0.58 1 19 ARG 5.51 -0.01 1 20 VAL 5.49 0.42 1 21 ILE 5.95 1.10 1 22 ALA 4.11 -0.57 1 23 GLU 1.89 -2.36 1 24 SER 0.01 -2.83 1 25 LEU 0.54 -3.18 1 26 SER -2.26 -3.88 1 27 GLU 4.28 -0.03 1 28 GLU 3.63 -0.44 1 29 GLU 2.19 -0.97 1 31 ALA 4.80 -0.34 1 33 LEU 3.96 -0.33 1 34 LYS 5.63 0.55 1 35 GLU 3.86 -0.53 1 36 MET 3.74 0.60 1 37 PHE 5.35 0.95 1 38 ASN 3.38 -0.91 1 39 MET 3.57 -0.72 1 40 ILE 4.31 -0.57 1 41 ASP 1.46 -4.78 1 42 ALA 2.80 -0.82 1 43 ASP 0.18 -5.04 1 44 LYS 5.38 -2.88 1 45 SER 0.30 -1.99 1 47 GLN -3.64 -5.17 1 48 ILE -0.82 -3.90 1 49 THR -3.06 -5.03 1 50 PHE 5.15 0.77 1 51 GLU 4.99 0.22 1 52 GLU 2.67 -1.06 1 53 LEU 4.51 -0.33 1 54 LYS 5.30 0.56 1 55 ALA 2.87 -1.36 1 57 LEU 5.40 -0.86 1 58 LYS 4.57 -0.55 1 59 ARG 3.55 -0.42 1 60 VAL 1.27 -4.08 1 62 ALA -0.70 -4.03 1 63 ASN 0.20 -3.89 1 64 LEU -2.04 -3.98 1 65 LYS -0.53 -3.93 1 66 GLU 5.58 1.52 1 68 GLU 1.79 -1.58 1 69 ILE 6.53 1.16 1 70 LEU 4.57 0.02 1 71 ASP 3.81 0.13 1 72 LEU 4.23 -0.40 1 73 MET 4.92 0.13 1 74 GLN 4.05 -0.51 1 76 ALA -0.48 -3.35 1 77 ASP 0.96 -4.51 1 78 VAL 3.49 -1.22 1 79 ASP -0.45 -5.13 1 80 ASN 3.32 -1.53 1 81 SER 0.02 -1.70 1 83 THR -7.28 -6.63 1 84 ILE -2.55 -5.84 1 85 ASP -1.81 -5.05 1 86 TYR 5.34 0.60 1 87 LYS 5.47 -0.04 1 88 GLU 1.27 -1.63 1 89 PHE 4.08 0.43 1 90 ILE 5.73 0.76 1 91 ALA 4.06 -0.67 1 92 ALA 3.87 -1.26 1 93 THR 5.35 0.70 1 94 LEU 3.31 -1.44 1 98 LYS 1.32 -2.90 1 99 ILE 1.20 -3.40 1 100 GLU -0.62 -3.28 1 102 GLU 0.41 -3.73 1 103 ASP 5.63 0.01 1 105 LEU 4.41 0.20 1 106 PHE 5.49 0.96 1 107 ALA 4.49 -0.65 1 108 ALA 3.72 -1.07 1 109 PHE 5.04 1.57 1 110 THR 4.33 0.31 1 111 TYR 4.25 0.16 1 112 PHE 1.95 -1.18 1 113 ASP 0.74 -5.39 1 114 LYS 2.76 -1.07 1 115 ASP -0.09 -4.78 1 117 SER -0.20 -2.06 1 119 TYR -4.69 -5.28 1 120 ILE -0.37 -3.83 1 121 THR 1.59 -3.80 1 123 ASP 4.52 -0.90 1 124 GLU 3.58 -1.03 1 125 LEU 3.98 -0.58 1 126 GLN 5.40 0.54 1 127 GLN 4.99 0.10 1 128 ALA 3.94 -0.77 1 130 GLU 3.83 -0.62 1 131 GLU 3.87 -0.70 1 132 PHE 1.24 -2.59 1 134 VAL 0.47 -3.45 1 135 GLU -1.60 -3.83 1 136 ASP 1.51 -3.23 1 137 VAL -0.50 -3.71 1 138 ARG 0.85 -4.54 1 139 ILE 5.19 -0.89 1 140 GLU 5.15 -0.11 1 141 GLU 2.75 -1.29 1 142 LEU 3.79 -0.24 1 143 MET 4.08 -1.99 1 144 ARG 4.74 -0.27 1 145 ASP 1.37 -1.24 1 146 VAL 0.04 -2.35 1 147 ASP 0.94 -3.82 1 148 GLN 2.68 -0.80 1 149 ASP 0.19 -4.78 1 150 ASN 3.30 -1.44 1 151 ASP -0.56 -4.16 1 153 ARG -4.64 -5.62 1 154 ILE -1.69 -4.42 1 155 ASP -2.43 -5.20 1 156 TYR 4.97 0.51 1 157 ASN 4.78 0.13 1 158 GLU 2.89 -1.12 1 159 PHE 3.77 0.78 1 160 VAL 6.96 1.89 1 161 ALA 4.14 -0.92 1 162 MET 4.71 -0.21 1 164 GLN 1.40 -2.75 1 165 LYS 1.45 -2.49 1 167 SER -0.48 -3.38 1 168 ILE 1.54 -2.69 1 169 THR -0.44 -3.58 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5324_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.28 _LACS_plot.Line_1_terminator_val_y_1 0.87 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -5.05 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -3.05 _LACS_plot.Line_2_terminator_val_x_2 9.48 _LACS_plot.Line_2_terminator_val_y_2 -5.87 _LACS_plot.Y_axis_chem_shift_offset 3.66 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 97 ASN 9.48 -10.26 0 12 LYS -3.03 1.76 0 11 ASN 3.17 -3.81 1 13 PHE 1.34 -4.15 1 14 LYS 5.07 -4.11 1 15 LYS 5.11 -4.29 1 17 ALA 3.58 -3.82 1 18 LEU 4.66 -5.24 1 19 ARG 5.51 -5.52 1 20 VAL 5.49 -5.07 1 21 ILE 5.95 -4.85 1 22 ALA 4.11 -4.68 1 23 GLU 1.89 -4.25 1 24 SER 0.01 -2.84 1 25 LEU 0.54 -3.72 1 26 SER -2.26 -1.62 1 27 GLU 4.28 -4.31 1 28 GLU 3.63 -4.07 1 29 GLU 2.19 -3.16 1 31 ALA 4.80 -5.14 1 33 LEU 3.96 -4.29 1 34 LYS 5.63 -5.08 1 35 GLU 3.86 -4.39 1 36 MET 3.74 -3.14 1 37 PHE 5.35 -4.40 1 38 ASN 3.38 -4.29 1 39 MET 3.57 -4.29 1 40 ILE 4.31 -4.88 1 41 ASP 1.46 -6.24 1 42 ALA 2.80 -3.62 1 43 ASP 0.18 -5.22 1 44 LYS 5.38 -8.26 1 45 SER 0.30 -2.29 1 47 GLN -3.64 -1.53 1 48 ILE -0.82 -3.08 1 49 THR -3.06 -1.97 1 50 PHE 5.15 -4.38 1 51 GLU 4.99 -4.77 1 52 GLU 2.67 -3.73 1 53 LEU 4.51 -4.84 1 54 LYS 5.30 -4.74 1 55 ALA 2.87 -4.23 1 57 LEU 5.40 -6.26 1 58 LYS 4.57 -5.12 1 59 ARG 3.55 -3.97 1 60 VAL 1.27 -5.35 1 62 ALA -0.70 -3.33 1 63 ASN 0.20 -4.09 1 64 LEU -2.04 -1.94 1 65 LYS -0.53 -3.40 1 66 GLU 5.58 -4.06 1 68 GLU 1.79 -3.37 1 69 ILE 6.53 -5.37 1 70 LEU 4.57 -4.55 1 71 ASP 3.81 -3.68 1 72 LEU 4.23 -4.63 1 73 MET 4.92 -4.79 1 74 GLN 4.05 -4.56 1 76 ALA -0.48 -2.87 1 77 ASP 0.96 -5.47 1 78 VAL 3.49 -4.71 1 79 ASP -0.45 -4.68 1 80 ASN 3.32 -4.85 1 81 SER 0.02 -1.72 1 83 THR -7.28 0.65 1 84 ILE -2.55 -3.29 1 85 ASP -1.81 -3.24 1 86 TYR 5.34 -4.74 1 87 LYS 5.47 -5.51 1 88 GLU 1.27 -2.90 1 89 PHE 4.08 -3.65 1 90 ILE 5.73 -4.97 1 91 ALA 4.06 -4.73 1 92 ALA 3.87 -5.13 1 93 THR 5.35 -4.65 1 94 LEU 3.31 -4.75 1 98 LYS 1.32 -4.22 1 99 ILE 1.20 -4.60 1 100 GLU -0.62 -2.66 1 102 GLU 0.41 -4.14 1 103 ASP 5.63 -5.62 1 105 LEU 4.41 -4.21 1 106 PHE 5.49 -4.53 1 107 ALA 4.49 -5.14 1 108 ALA 3.72 -4.79 1 109 PHE 5.04 -3.47 1 110 THR 4.33 -4.02 1 111 TYR 4.25 -4.09 1 112 PHE 1.95 -3.13 1 113 ASP 0.74 -6.13 1 114 LYS 2.76 -3.83 1 115 ASP -0.09 -4.69 1 117 SER -0.20 -1.86 1 119 TYR -4.69 -0.59 1 120 ILE -0.37 -3.46 1 121 THR 1.59 -5.39 1 123 ASP 4.52 -5.42 1 124 GLU 3.58 -4.61 1 125 LEU 3.98 -4.56 1 126 GLN 5.40 -4.86 1 127 GLN 4.99 -4.89 1 128 ALA 3.94 -4.71 1 130 GLU 3.83 -4.45 1 131 GLU 3.87 -4.57 1 132 PHE 1.24 -3.83 1 134 VAL 0.47 -3.92 1 135 GLU -1.60 -2.23 1 136 ASP 1.51 -4.74 1 137 VAL -0.50 -3.21 1 138 ARG 0.85 -5.39 1 139 ILE 5.19 -6.08 1 140 GLU 5.15 -5.26 1 141 GLU 2.75 -4.04 1 142 LEU 3.79 -4.03 1 143 MET 4.08 -6.07 1 144 ARG 4.74 -5.01 1 145 ASP 1.37 -2.61 1 146 VAL 0.04 -2.39 1 147 ASP 0.94 -4.76 1 148 GLN 2.68 -3.48 1 149 ASP 0.19 -4.97 1 150 ASN 3.30 -4.74 1 151 ASP -0.56 -3.60 1 153 ARG -4.64 -0.98 1 154 ILE -1.69 -2.73 1 155 ASP -2.43 -2.77 1 156 TYR 4.97 -4.46 1 157 ASN 4.78 -4.65 1 158 GLU 2.89 -4.01 1 159 PHE 3.77 -2.99 1 160 VAL 6.96 -5.07 1 161 ALA 4.14 -5.06 1 162 MET 4.71 -4.92 1 164 GLN 1.40 -4.15 1 165 LYS 1.45 -3.94 1 167 SER -0.48 -2.90 1 168 ILE 1.54 -4.23 1 169 THR -0.44 -3.14 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5324_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.28 _LACS_plot.Line_1_terminator_val_y_1 0.69 _LACS_plot.Line_1_terminator_val_x_2 2.00 _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 0.21 _LACS_plot.Line_2_terminator_val_x_2 9.48 _LACS_plot.Line_2_terminator_val_y_2 -0.89 _LACS_plot.Y_axis_chem_shift_offset -0.01 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 156 TYR 4.97 0.69 0 11 ASN 3.17 -0.24 1 12 LYS -3.03 0.09 1 13 PHE 1.34 0.09 1 14 LYS 5.07 -0.75 1 15 LYS 5.11 -0.49 1 17 ALA 3.58 -0.19 1 18 LEU 4.66 -0.45 1 19 ARG 5.51 -0.40 1 20 VAL 5.49 -0.73 1 21 ILE 5.95 -0.70 1 22 ALA 4.11 -0.60 1 23 GLU 1.89 -0.21 1 24 SER 0.01 0.05 1 25 LEU 0.54 -0.10 1 26 SER -2.26 -0.05 1 27 GLU 4.28 -0.34 1 28 GLU 3.63 -0.20 1 29 GLU 2.19 -0.24 1 31 ALA 4.80 -0.20 1 33 LEU 3.96 0.06 1 34 LYS 5.63 -0.30 1 35 GLU 3.86 -0.23 1 36 MET 3.74 -0.35 1 38 ASN 3.38 -0.52 1 40 ILE 4.31 -0.57 1 42 ALA 2.80 -0.33 1 43 ASP 0.18 -0.08 1 44 LYS 5.38 -0.42 1 45 SER 0.30 -0.22 1 47 GLN -3.64 0.49 1 48 ILE -0.82 0.69 1 49 THR -3.06 0.25 1 50 PHE 5.15 -0.26 1 51 GLU 4.99 -0.67 1 52 GLU 2.67 -0.25 1 53 LEU 4.51 -0.53 1 54 LYS 5.30 -0.62 1 55 ALA 2.87 -0.17 1 57 LEU 5.40 -0.18 1 58 LYS 4.57 -0.16 1 59 ARG 3.55 -0.19 1 60 VAL 1.27 0.31 1 62 ALA -0.70 0.07 1 63 ASN 0.20 0.01 1 64 LEU -2.04 0.20 1 65 LYS -0.53 0.08 1 66 GLU 5.58 -0.48 1 68 GLU 1.79 -0.06 1 69 ILE 6.53 -0.62 1 70 LEU 4.57 -0.29 1 72 LEU 4.23 -0.54 1 73 MET 4.92 -0.57 1 74 GLN 4.05 -0.30 1 76 ALA -0.48 -0.04 1 77 ASP 0.96 0.14 1 78 VAL 3.49 -0.17 1 79 ASP -0.45 0.05 1 80 ASN 3.32 -0.40 1 81 SER 0.02 -0.16 1 83 THR -7.28 0.49 1 84 ILE -2.55 1.15 1 85 ASP -1.81 0.62 1 86 TYR 5.34 -0.99 1 87 LYS 5.47 -0.66 1 88 GLU 1.27 -0.23 1 89 PHE 4.08 -0.68 1 90 ILE 5.73 -0.82 1 91 ALA 4.06 -0.45 1 92 ALA 3.87 -0.36 1 93 THR 5.35 -0.64 1 94 LEU 3.31 -0.25 1 97 ASN 9.48 -0.36 1 98 LYS 1.32 0.21 1 99 ILE 1.20 -0.03 1 100 GLU -0.62 -0.20 1 102 GLU 0.41 -0.18 1 105 LEU 4.41 -0.10 1 106 PHE 5.49 -0.20 1 107 ALA 4.49 -0.38 1 108 ALA 3.72 -0.36 1 110 THR 4.33 -0.43 1 111 TYR 4.25 -0.83 1 112 PHE 1.95 -0.42 1 113 ASP 0.74 -0.14 1 114 LYS 2.76 -0.47 1 115 ASP -0.09 -0.08 1 117 SER -0.20 -0.26 1 119 TYR -4.69 0.65 1 120 ILE -0.37 0.78 1 121 THR 1.59 0.30 1 123 ASP 4.52 -0.31 1 124 GLU 3.58 -0.27 1 125 LEU 3.98 -0.34 1 126 GLN 5.40 -0.40 1 127 GLN 4.99 -0.26 1 128 ALA 3.94 0.19 1 130 GLU 3.83 -0.22 1 131 GLU 3.87 -0.37 1 132 PHE 1.24 -0.02 1 134 VAL 0.47 -0.01 1 135 GLU -1.60 0.10 1 136 ASP 1.51 -0.18 1 137 VAL -0.50 -0.09 1 138 ARG 0.85 0.21 1 139 ILE 5.19 -0.67 1 140 GLU 5.15 -0.31 1 141 GLU 2.75 -0.42 1 142 LEU 3.79 -0.39 1 143 MET 4.08 -0.33 1 144 ARG 4.74 -0.26 1 145 ASP 1.37 0.03 1 147 ASP 0.94 -0.02 1 148 GLN 2.68 -0.23 1 149 ASP 0.19 0.00 1 150 ASN 3.30 -0.39 1 151 ASP -0.56 -0.05 1 153 ARG -4.64 0.46 1 154 ILE -1.69 1.11 1 155 ASP -2.43 0.62 1 157 ASN 4.78 -0.64 1 158 GLU 2.89 -0.35 1 159 PHE 3.77 -0.66 1 160 VAL 6.96 -1.10 1 161 ALA 4.14 -0.35 1 162 MET 4.71 -0.57 1 164 GLN 1.40 -0.15 1 165 LYS 1.45 -0.12 1 167 SER -0.48 -0.68 1 168 ILE 1.54 0.02 1 169 THR -0.44 0.01 1 stop_ save_