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 bmr27981_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -4.66 _LACS_plot.Line_1_terminator_val_y_1 -2.91 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.74 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.09 _LACS_plot.Line_2_terminator_val_x_2 8.69 _LACS_plot.Line_2_terminator_val_y_2 6.62 _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 31 ILE 5.35 1.12 0 35 HIS 3.85 6.54 0 10 THR 0.03 0.11 1 12 ASN 0.27 0.27 1 13 VAL 0.19 0.07 1 14 GLU -0.26 0.29 1 15 VAL -1.05 -0.33 1 16 THR -3.34 -1.39 1 17 ALA 3.49 2.39 1 18 GLU 3.14 2.63 1 19 GLU 2.18 2.15 1 20 GLU 1.61 0.88 1 21 LYS 3.69 3.38 1 22 ILE 1.57 0.95 1 23 ARG 2.64 2.77 1 24 ASP -1.75 -2.80 1 25 LYS 3.80 3.72 1 26 LEU 4.10 2.25 1 28 TYR 4.95 3.40 1 29 GLU 3.04 2.82 1 30 ALA 3.28 2.49 1 32 ARG 5.60 4.22 1 33 ASP 4.07 3.42 1 34 ILE 4.02 4.25 1 36 ARG 3.92 3.31 1 37 ASP 1.09 2.27 1 38 MET 0.15 2.20 1 39 ASP 0.16 -1.71 1 40 ASP 3.22 3.11 1 41 ASP -0.19 -1.68 1 42 HIS 3.58 1.25 1 43 SER 0.33 1.54 1 45 SER -3.45 -1.82 1 46 ILE -2.16 -1.10 1 47 ASP -3.75 -2.21 1 48 ARG 3.99 2.69 1 49 ASN 3.85 3.18 1 50 GLU 2.07 2.28 1 52 THR 6.91 5.73 1 54 PHE 3.37 3.62 1 55 MET 1.48 3.99 1 56 LYS 1.92 3.18 1 57 GLU 1.23 0.76 1 58 ASP 3.87 2.47 1 59 MET -2.53 0.18 1 60 GLN 4.30 1.23 1 61 MET -0.77 0.19 1 62 ARG -1.72 -0.55 1 64 SER 5.10 2.54 1 65 GLU 1.28 1.38 1 66 ARG 3.04 2.97 1 68 ARG 3.90 3.16 1 69 ARG 4.32 3.58 1 70 GLU 3.99 3.72 1 71 ASN 3.47 2.87 1 72 LYS 2.00 2.13 1 73 PHE 2.48 3.90 1 74 HIS 2.28 3.04 1 76 ASP -0.34 -0.21 1 77 ASP -1.26 -0.98 1 78 ASP 0.17 1.19 1 80 ILE -0.96 -2.36 1 81 THR -1.52 0.24 1 82 VAL 6.93 5.14 1 83 ASP 4.46 3.76 1 84 ASP 3.05 3.13 1 85 LEU 2.27 2.52 1 86 TRP 2.24 2.53 1 87 GLU 4.59 4.04 1 88 ALA 3.55 2.23 1 89 TRP 1.16 1.43 1 90 PHE 3.33 2.57 1 91 GLU -0.81 -0.98 1 92 SER 0.74 1.26 1 93 ILE 2.01 1.23 1 94 GLU 7.62 3.75 1 95 ARG 4.62 2.07 1 96 THR -0.80 -0.49 1 97 TRP -1.69 -1.40 1 98 THR -3.61 -1.30 1 99 ASN 3.23 5.52 1 100 GLU 4.88 3.97 1 101 ARG 2.90 1.04 1 102 LEU 2.87 3.36 1 103 VAL 7.03 5.84 1 104 GLU 3.55 3.31 1 105 TRP 4.32 2.78 1 106 LEU 3.25 2.76 1 107 ILE 3.79 4.27 1 108 ASN 2.21 2.87 1 109 ASP 0.62 1.89 1 110 VAL 3.25 1.29 1 111 ASN 2.45 0.12 1 112 LEU -4.66 -3.38 1 114 SER 4.00 2.82 1 115 ILE -0.05 -0.37 1 116 VAL 6.39 5.28 1 117 GLU 5.05 3.66 1 118 ALA 3.19 2.44 1 119 VAL 5.84 4.67 1 120 LYS 4.17 4.00 1 121 ALA 3.19 2.46 1 122 LYS -0.82 -0.14 1 123 LYS 5.56 1.52 1 124 ILE 0.80 0.58 1 125 ASP -3.14 -1.74 1 127 LYS 4.38 3.42 1 128 ILE -3.76 -2.86 1 129 LEU 8.70 6.88 1 131 ARG 4.34 2.79 1 132 PHE 1.34 -0.20 1 133 ALA -0.47 0.61 1 134 SER -1.10 -0.66 1 138 ASP 0.74 0.71 1 139 PHE 4.54 5.14 1 140 LEU 3.85 3.11 1 141 ASN 1.42 2.38 1 142 LYS 2.45 2.55 1 143 GLU 2.45 1.41 1 144 LEU -0.79 -0.85 1 146 ILE 2.29 0.31 1 150 VAL 4.54 3.57 1 151 TYR 1.69 -0.14 1 152 ARG 5.91 5.42 1 153 GLN 4.72 3.36 1 154 LYS 3.47 3.39 1 155 LEU 3.48 2.65 1 156 ARG 4.89 4.45 1 157 LEU 4.48 3.66 1 158 ASN 3.22 4.54 1 159 SER 6.48 4.89 1 160 LEU 2.47 3.20 1 161 ASP 2.23 3.09 1 162 VAL 5.14 4.25 1 163 VAL 4.39 3.13 1 164 LEU 3.79 1.57 1 165 PHE -2.73 -1.86 1 167 TYR -0.92 0.41 1 168 LYS -0.41 -0.23 1 169 ASP 0.04 0.10 1 170 ASN 1.60 0.33 1 174 THR 0.17 0.22 1 175 LYS -0.10 0.04 1 176 ASP 0.64 1.83 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27981_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -4.66 _LACS_plot.Line_1_terminator_val_y_1 1.75 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.26 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.91 _LACS_plot.Line_2_terminator_val_x_2 8.69 _LACS_plot.Line_2_terminator_val_y_2 -2.07 _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 31 ILE 5.35 -4.23 0 35 HIS 3.85 2.69 0 10 THR 0.03 0.08 1 12 ASN 0.27 0.00 1 13 VAL 0.19 -0.12 1 14 GLU -0.26 0.55 1 15 VAL -1.05 0.72 1 16 THR -3.34 1.95 1 17 ALA 3.49 -1.10 1 18 GLU 3.14 -0.51 1 19 GLU 2.18 -0.03 1 20 GLU 1.61 -0.73 1 21 LYS 3.69 -0.31 1 22 ILE 1.57 -0.62 1 23 ARG 2.64 0.13 1 24 ASP -1.75 -1.05 1 25 LYS 3.80 -0.08 1 26 LEU 4.10 -1.85 1 28 TYR 4.95 -1.55 1 29 GLU 3.04 -0.22 1 30 ALA 3.28 -0.79 1 32 ARG 5.60 -1.38 1 33 ASP 4.07 -0.65 1 34 ILE 4.02 0.23 1 36 ARG 3.92 -0.61 1 37 ASP 1.09 1.18 1 38 MET 0.15 2.05 1 39 ASP 0.16 -1.87 1 40 ASP 3.22 -0.11 1 41 ASP -0.19 -1.49 1 42 HIS 3.58 -2.33 1 43 SER 0.33 1.21 1 45 SER -3.45 1.63 1 46 ILE -2.16 1.06 1 47 ASP -3.75 1.54 1 48 ARG 3.99 -1.30 1 49 ASN 3.85 -0.67 1 50 GLU 2.07 0.21 1 52 THR 6.91 -1.18 1 54 PHE 3.37 0.25 1 55 MET 1.48 2.51 1 56 LYS 1.92 1.26 1 57 GLU 1.23 -0.47 1 58 ASP 3.87 -1.40 1 59 MET -2.53 2.71 1 60 GLN 4.30 -3.07 1 61 MET -0.77 0.96 1 62 ARG -1.72 1.17 1 64 SER 5.10 -2.56 1 65 GLU 1.28 0.10 1 66 ARG 3.04 -0.07 1 68 ARG 3.90 -0.74 1 69 ARG 4.32 -0.74 1 70 GLU 3.99 -0.27 1 71 ASN 3.47 -0.60 1 72 LYS 2.00 0.13 1 73 PHE 2.48 1.42 1 74 HIS 2.28 0.76 1 76 ASP -0.34 0.13 1 77 ASP -1.26 0.28 1 78 ASP 0.17 1.02 1 80 ILE -0.96 -1.40 1 81 THR -1.52 1.76 1 82 VAL 6.93 -1.79 1 83 ASP 4.46 -0.70 1 84 ASP 3.05 0.08 1 85 LEU 2.27 0.25 1 86 TRP 2.24 0.29 1 87 GLU 4.59 -0.55 1 88 ALA 3.55 -1.32 1 89 TRP 1.16 0.27 1 90 PHE 3.33 -0.76 1 91 GLU -0.81 -0.17 1 92 SER 0.74 0.52 1 93 ILE 2.01 -0.78 1 94 GLU 7.62 -3.87 1 95 ARG 4.62 -2.55 1 96 THR -0.80 0.31 1 97 TRP -1.69 0.29 1 98 THR -3.61 2.31 1 99 ASN 3.23 2.29 1 100 GLU 4.88 -0.91 1 101 ARG 2.90 -1.86 1 102 LEU 2.87 0.49 1 103 VAL 7.03 -1.19 1 104 GLU 3.55 -0.24 1 105 TRP 4.32 -1.54 1 106 LEU 3.25 -0.49 1 107 ILE 3.79 0.48 1 108 ASN 2.21 0.66 1 109 ASP 0.62 1.27 1 110 VAL 3.25 -1.96 1 111 ASN 2.45 -2.33 1 112 LEU -4.66 1.28 1 114 SER 4.00 -1.18 1 115 ILE -0.05 -0.32 1 116 VAL 6.39 -1.11 1 117 GLU 5.05 -1.39 1 118 ALA 3.19 -0.75 1 119 VAL 5.84 -1.17 1 120 LYS 4.17 -0.17 1 121 ALA 3.19 -0.73 1 122 LYS -0.82 0.68 1 123 LYS 5.56 -4.04 1 124 ILE 0.80 -0.22 1 125 ASP -3.14 1.40 1 127 LYS 4.38 -0.96 1 128 ILE -3.76 0.90 1 129 LEU 8.70 -1.82 1 131 ARG 4.34 -1.55 1 132 PHE 1.34 -1.54 1 133 ALA -0.47 1.08 1 134 SER -1.10 0.44 1 138 ASP 0.74 -0.03 1 139 PHE 4.54 0.60 1 140 LEU 3.85 -0.74 1 141 ASN 1.42 0.96 1 142 LYS 2.45 0.10 1 143 GLU 2.45 -1.04 1 144 LEU -0.79 -0.06 1 146 ILE 2.29 -1.98 1 150 VAL 4.54 -0.97 1 151 TYR 1.69 -1.83 1 152 ARG 5.91 -0.49 1 153 GLN 4.72 -1.36 1 154 LYS 3.47 -0.08 1 155 LEU 3.48 -0.83 1 156 ARG 4.89 -0.44 1 157 LEU 4.48 -0.82 1 158 ASN 3.22 1.32 1 159 SER 6.48 -1.59 1 160 LEU 2.47 0.73 1 161 ASP 2.23 0.86 1 162 VAL 5.14 -0.89 1 163 VAL 4.39 -1.26 1 164 LEU 3.79 -2.22 1 165 PHE -2.73 0.87 1 167 TYR -0.92 1.33 1 168 LYS -0.41 0.18 1 169 ASP 0.04 0.06 1 170 ASN 1.60 -1.27 1 174 THR 0.17 0.05 1 175 LYS -0.10 0.14 1 176 ASP 0.64 1.19 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27981_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -4.66 _LACS_plot.Line_1_terminator_val_y_1 -1.34 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.11 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.15 _LACS_plot.Line_2_terminator_val_x_2 8.69 _LACS_plot.Line_2_terminator_val_y_2 3.04 _LACS_plot.Y_axis_chem_shift_offset -0.41 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 129 LEU 8.70 0.05 0 112 LEU -4.66 -4.35 0 10 THR 0.03 -0.47 1 12 ASN 0.27 -0.18 1 13 VAL 0.19 -0.32 1 14 GLU -0.26 -0.33 1 15 VAL -1.05 -0.47 1 16 THR -3.34 0.37 1 17 ALA 3.49 2.85 1 18 GLU 3.14 2.51 1 19 GLU 2.18 3.43 1 20 GLU 1.61 0.85 1 21 LYS 3.69 0.12 1 22 ILE 1.57 1.48 1 23 ARG 2.64 1.01 1 24 ASP -1.75 -1.34 1 25 LYS 3.80 2.62 1 26 LEU 4.10 3.05 1 28 TYR 4.95 1.35 1 29 GLU 3.04 1.46 1 30 ALA 3.28 1.73 1 31 ILE 5.35 1.23 1 32 ARG 5.60 2.00 1 33 ASP 4.07 3.15 1 34 ILE 4.02 0.70 1 35 HIS 3.85 3.15 1 36 ARG 3.92 2.51 1 37 ASP 1.09 0.80 1 38 MET 0.15 0.96 1 39 ASP 0.16 0.21 1 40 ASP 3.22 0.29 1 41 ASP -0.19 0.52 1 42 HIS 3.58 1.10 1 43 SER 0.33 1.82 1 45 SER -3.45 -2.19 1 46 ILE -2.16 -0.86 1 47 ASP -3.75 -0.09 1 48 ARG 3.99 3.29 1 49 ASN 3.85 4.20 1 50 GLU 2.07 4.19 1 52 THR 6.91 2.63 1 54 PHE 3.37 2.55 1 55 MET 1.48 1.09 1 56 LYS 1.92 1.12 1 57 GLU 1.23 -0.01 1 58 ASP 3.87 1.42 1 59 MET -2.53 -1.86 1 60 GLN 4.30 -0.89 1 61 MET -0.77 0.56 1 62 ARG -1.72 0.97 1 64 SER 5.10 1.87 1 65 GLU 1.28 1.82 1 66 ARG 3.04 1.67 1 68 ARG 3.90 2.68 1 69 ARG 4.32 1.11 1 70 GLU 3.99 1.81 1 71 ASN 3.47 2.76 1 72 LYS 2.00 1.25 1 73 PHE 2.48 0.05 1 74 HIS 2.28 3.87 1 76 ASP -0.34 -1.41 1 77 ASP -1.26 -1.30 1 78 ASP 0.17 -0.96 1 81 THR -1.52 -0.02 1 82 VAL 6.93 0.86 1 83 ASP 4.46 2.33 1 84 ASP 3.05 2.81 1 85 LEU 2.27 0.27 1 86 TRP 2.24 0.43 1 87 GLU 4.59 1.44 1 88 ALA 3.55 2.65 1 89 TRP 1.16 2.43 1 90 PHE 3.33 0.89 1 91 GLU -0.81 -0.44 1 92 SER 0.74 0.72 1 93 ILE 2.01 2.82 1 94 GLU 7.62 -0.15 1 95 ARG 4.62 0.31 1 96 THR -0.80 0.61 1 97 TRP -1.69 1.39 1 98 THR -3.61 0.58 1 99 ASN 3.23 1.27 1 100 GLU 4.88 2.48 1 101 ARG 2.90 2.22 1 102 LEU 2.87 1.41 1 103 VAL 7.03 0.57 1 104 GLU 3.55 1.81 1 105 TRP 4.32 3.19 1 106 LEU 3.25 1.16 1 107 ILE 3.79 1.36 1 108 ASN 2.21 0.48 1 109 ASP 0.62 -0.01 1 110 VAL 3.25 -0.94 1 111 ASN 2.45 -1.33 1 114 SER 4.00 1.43 1 115 ILE -0.05 -0.69 1 116 VAL 6.39 0.75 1 117 GLU 5.05 2.72 1 118 ALA 3.19 2.03 1 119 VAL 5.84 2.77 1 120 LYS 4.17 3.58 1 121 ALA 3.19 2.22 1 122 LYS -0.82 -0.40 1 123 LYS 5.56 -0.78 1 124 ILE 0.80 -2.31 1 125 ASP -3.14 0.21 1 127 LYS 4.38 3.27 1 128 ILE -3.76 1.14 1 131 ARG 4.34 2.87 1 132 PHE 1.34 1.86 1 133 ALA -0.47 -1.73 1 134 SER -1.10 0.87 1 138 ASP 0.74 0.66 1 139 PHE 4.54 1.96 1 140 LEU 3.85 -0.05 1 141 ASN 1.42 1.40 1 142 LYS 2.45 1.43 1 143 GLU 2.45 1.47 1 144 LEU -0.79 -0.51 1 146 ILE 2.29 -0.88 1 150 VAL 4.54 2.79 1 151 TYR 1.69 2.29 1 152 ARG 5.91 1.53 1 153 GLN 4.72 1.79 1 154 LYS 3.47 3.23 1 155 LEU 3.48 2.03 1 156 ARG 4.89 2.02 1 157 LEU 4.48 2.58 1 158 ASN 3.22 2.61 1 160 LEU 2.47 -0.20 1 161 ASP 2.23 1.07 1 162 VAL 5.14 1.84 1 163 VAL 4.39 -0.77 1 164 LEU 3.79 1.66 1 165 PHE -2.73 0.80 1 167 TYR -0.92 -0.34 1 168 LYS -0.41 -2.22 1 169 ASP 0.04 -0.09 1 170 ASN 1.60 2.62 1 174 THR 0.17 -0.35 1 175 LYS -0.10 -1.35 1 176 ASP 0.64 4.59 1 stop_ save_