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 bmr19139_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -3.43 _LACS_plot.Line_1_terminator_val_y_1 -2.27 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 1.40 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.30 _LACS_plot.Line_2_terminator_val_x_2 9.02 _LACS_plot.Line_2_terminator_val_y_2 6.90 _LACS_plot.Y_axis_chem_shift_offset -0.12 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 78 ILE 5.03 0.94 0 146 ARG 2.67 -0.97 0 12 GLN 4.54 3.80 1 13 LYS 4.41 3.08 1 14 GLU 6.53 4.50 1 16 ASP 5.07 3.65 1 17 ASN 3.67 2.73 1 18 ALA 2.73 2.54 1 19 LEU 4.64 3.22 1 20 ARG 3.86 2.91 1 21 GLN 4.51 3.23 1 22 LEU 3.98 2.34 1 23 GLU 2.96 2.53 1 24 THR 5.21 4.36 1 25 VAL 3.74 2.38 1 26 ARG 3.74 2.64 1 27 GLU 2.28 1.88 1 28 LEU 1.92 1.75 1 29 LEU -1.29 -1.21 1 30 GLU 1.50 1.38 1 31 ASN 0.48 0.68 1 33 VAL -0.94 -1.42 1 34 GLN -2.68 -1.41 1 36 ILE -0.55 -0.43 1 37 ASN 0.42 -0.73 1 38 ASP -1.05 -1.27 1 39 MET 0.90 2.61 1 40 SER -3.43 -1.81 1 41 TYR 6.62 6.33 1 42 PHE 5.46 3.63 1 45 LEU 3.33 2.58 1 46 ASP 4.12 3.31 1 47 SER 3.07 2.49 1 48 VAL 5.75 3.89 1 49 MET 5.23 2.90 1 50 GLU 3.19 2.70 1 51 ASN 4.56 3.79 1 52 SER 5.51 4.49 1 53 LYS 4.03 3.08 1 54 VAL 4.08 3.58 1 55 LEU 3.23 2.55 1 57 GLU 2.78 2.28 1 58 ALA 3.79 2.52 1 59 MET 4.90 5.07 1 60 THR 6.29 4.64 1 62 ILE 5.42 5.13 1 63 SER 4.58 3.97 1 64 GLN 3.52 3.31 1 65 ASN 4.03 3.55 1 66 ALA 4.71 2.73 1 67 LYS 4.16 3.41 1 68 ASN -0.28 -0.26 1 70 ASN -0.14 -1.93 1 71 LEU 8.47 5.18 1 73 GLU 5.43 3.63 1 74 PHE 4.70 4.14 1 76 ASP 3.23 2.93 1 77 ALA 4.54 2.95 1 79 ALA 3.71 2.61 1 80 THR 6.94 4.99 1 81 ALA 4.90 2.91 1 82 SER 4.29 3.74 1 83 LYS 4.67 3.68 1 84 ALA 2.99 2.13 1 85 LEU 3.74 3.55 1 88 PHE 3.40 4.63 1 89 THR 9.02 6.84 1 90 GLU 3.42 3.40 1 91 ALA 2.90 2.42 1 92 ALA 2.46 2.36 1 93 ALA 3.13 2.83 1 94 GLN 5.90 2.78 1 95 ALA 3.81 3.10 1 96 ALA 3.97 3.05 1 97 TYR 4.71 2.90 1 98 LEU 2.57 2.26 1 99 VAL 3.15 2.37 1 101 VAL 1.36 0.23 1 102 SER 1.64 1.41 1 103 ASP -2.65 -1.09 1 105 ASN 0.43 0.54 1 106 VAL -0.87 -0.24 1 107 ASP 0.13 0.10 1 108 GLN -1.56 -0.27 1 109 ILE 0.80 0.06 1 110 SER 0.34 0.53 1 112 GLU 4.44 3.20 1 114 ARG 3.88 2.64 1 115 ALA 3.09 2.03 1 116 ALA 2.46 2.08 1 117 MET 0.47 1.52 1 120 ILE 3.53 4.16 1 121 VAL 5.98 5.06 1 122 ILE 4.93 3.39 1 123 SER 5.48 4.56 1 124 ALA 3.24 2.75 1 125 LYS 5.19 4.96 1 126 THR 6.03 4.90 1 127 MET 4.28 4.44 1 128 LEU 3.12 2.91 1 129 GLU 3.05 2.89 1 130 SER 4.70 3.71 1 131 ALA 1.98 2.26 1 134 LEU 4.24 4.89 1 135 ILE 5.69 4.46 1 136 GLN 4.34 3.89 1 137 THR 7.02 5.27 1 138 ALA 4.13 2.88 1 139 ARG 3.58 3.54 1 140 ALA 2.93 1.89 1 141 LEU 1.45 1.26 1 142 ALA 3.60 1.57 1 143 VAL 2.01 1.45 1 144 ASN -1.12 -0.84 1 147 ASP -0.43 -0.74 1 151 TRP 4.61 3.60 1 152 SER 5.02 3.52 1 153 VAL 5.24 3.88 1 154 LEU 5.41 4.41 1 155 ALA 3.84 2.55 1 157 HIS 2.11 4.07 1 158 SER 4.71 3.79 1 159 ARG 4.47 3.29 1 160 THR 6.76 5.08 1 161 VAL 7.17 5.78 1 162 SER 5.50 4.29 1 163 ASP 3.69 3.29 1 164 SER 5.50 4.29 1 165 ILE 5.33 4.28 1 166 LYS 4.93 3.88 1 167 LYS 3.97 3.22 1 168 LEU 4.31 3.63 1 169 ILE 6.54 5.67 1 170 THR 6.60 5.46 1 171 SER 5.52 4.46 1 172 MET 1.96 3.24 1 173 ARG 5.32 4.30 1 174 ASP 2.80 2.68 1 175 LYS -1.60 -2.47 1 176 ALA 0.63 0.53 1 179 GLN -0.55 -0.18 1 180 LEU 0.65 1.60 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19139_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -3.43 _LACS_plot.Line_1_terminator_val_y_1 1.16 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -0.59 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.70 _LACS_plot.Line_2_terminator_val_x_2 9.02 _LACS_plot.Line_2_terminator_val_y_2 -2.12 _LACS_plot.Y_axis_chem_shift_offset -0.12 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 78 ILE 5.03 -4.09 0 146 ARG 2.67 -3.64 0 12 GLN 4.54 -0.74 1 13 LYS 4.41 -1.33 1 14 GLU 6.53 -2.03 1 16 ASP 5.07 -1.42 1 17 ASN 3.67 -0.94 1 18 ALA 2.73 -0.19 1 19 LEU 4.64 -1.42 1 20 ARG 3.86 -0.95 1 21 GLN 4.51 -1.28 1 22 LEU 3.98 -1.64 1 23 GLU 2.96 -0.43 1 24 THR 5.21 -0.85 1 25 VAL 3.74 -1.36 1 26 ARG 3.74 -1.10 1 27 GLU 2.28 -0.40 1 28 LEU 1.92 -0.17 1 29 LEU -1.29 0.08 1 30 GLU 1.50 -0.12 1 31 ASN 0.48 0.20 1 33 VAL -0.94 -0.48 1 34 GLN -2.68 1.27 1 36 ILE -0.55 0.12 1 37 ASN 0.42 -1.15 1 38 ASP -1.05 -0.22 1 39 MET 0.90 1.71 1 40 SER -3.43 1.62 1 41 TYR 6.62 -0.29 1 42 PHE 5.46 -1.83 1 45 LEU 3.33 -0.75 1 46 ASP 4.12 -0.81 1 47 SER 3.07 -0.58 1 48 VAL 5.75 -1.86 1 49 MET 5.23 -2.33 1 50 GLU 3.19 -0.49 1 51 ASN 4.56 -0.77 1 52 SER 5.51 -1.02 1 53 LYS 4.03 -0.95 1 54 VAL 4.08 -0.50 1 55 LEU 3.23 -0.68 1 57 GLU 2.78 -0.50 1 58 ALA 3.79 -1.27 1 59 MET 4.90 0.17 1 60 THR 6.29 -1.65 1 62 ILE 5.42 -0.29 1 63 SER 4.58 -0.61 1 64 GLN 3.52 -0.21 1 65 ASN 4.03 -0.48 1 66 ALA 4.71 -1.98 1 67 LYS 4.16 -0.75 1 68 ASN -0.28 0.02 1 70 ASN -0.14 -1.79 1 71 LEU 8.47 -3.29 1 73 GLU 5.43 -1.80 1 74 PHE 4.70 -0.56 1 76 ASP 3.23 -0.30 1 77 ALA 4.54 -1.59 1 79 ALA 3.71 -1.10 1 80 THR 6.94 -1.95 1 81 ALA 4.90 -1.99 1 82 SER 4.29 -0.55 1 83 LYS 4.67 -0.99 1 84 ALA 2.99 -0.86 1 85 LEU 3.74 -0.19 1 88 PHE 3.40 1.23 1 89 THR 9.02 -2.18 1 90 GLU 3.42 -0.02 1 91 ALA 2.90 -0.48 1 92 ALA 2.46 -0.10 1 93 ALA 3.13 -0.30 1 94 GLN 5.90 -3.12 1 95 ALA 3.81 -0.71 1 96 ALA 3.97 -0.92 1 97 TYR 4.71 -1.81 1 98 LEU 2.57 -0.31 1 99 VAL 3.15 -0.78 1 101 VAL 1.36 -1.13 1 102 SER 1.64 -0.23 1 103 ASP -2.65 1.56 1 105 ASN 0.43 0.11 1 106 VAL -0.87 0.63 1 107 ASP 0.13 -0.03 1 108 GLN -1.56 1.29 1 109 ILE 0.80 -0.74 1 110 SER 0.34 0.19 1 112 GLU 4.44 -1.24 1 114 ARG 3.88 -1.24 1 115 ALA 3.09 -1.06 1 116 ALA 2.46 -0.38 1 117 MET 0.47 1.05 1 120 ILE 3.53 0.63 1 121 VAL 5.98 -0.92 1 122 ILE 4.93 -1.54 1 123 SER 5.48 -0.92 1 124 ALA 3.24 -0.49 1 125 LYS 5.19 -0.23 1 126 THR 6.03 -1.13 1 127 MET 4.28 0.16 1 128 LEU 3.12 -0.21 1 129 GLU 3.05 -0.16 1 130 SER 4.70 -0.99 1 131 ALA 1.98 0.28 1 134 LEU 4.24 0.65 1 135 ILE 5.69 -1.23 1 136 GLN 4.34 -0.45 1 137 THR 7.02 -1.75 1 138 ALA 4.13 -1.25 1 139 ARG 3.58 -0.04 1 140 ALA 2.93 -1.04 1 141 LEU 1.45 -0.19 1 142 ALA 3.60 -2.03 1 143 VAL 2.01 -0.56 1 144 ASN -1.12 0.28 1 147 ASP -0.43 -0.31 1 151 TRP 4.61 -1.01 1 152 SER 5.02 -1.50 1 153 VAL 5.24 -1.36 1 154 LEU 5.41 -1.00 1 155 ALA 3.84 -1.29 1 157 HIS 2.11 1.96 1 158 SER 4.71 -0.92 1 159 ARG 4.47 -1.18 1 160 THR 6.76 -1.68 1 161 VAL 7.17 -1.39 1 162 SER 5.50 -1.21 1 163 ASP 3.69 -0.40 1 164 SER 5.50 -1.21 1 165 ILE 5.33 -1.05 1 166 LYS 4.93 -1.05 1 167 LYS 3.97 -0.75 1 168 LEU 4.31 -0.68 1 169 ILE 6.54 -0.87 1 170 THR 6.60 -1.14 1 171 SER 5.52 -1.06 1 172 MET 1.96 1.28 1 173 ARG 5.32 -1.02 1 174 ASP 2.80 -0.12 1 175 LYS -1.60 -0.87 1 176 ALA 0.63 -0.10 1 179 GLN -0.55 0.37 1 180 LEU 0.65 0.95 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19139_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -3.43 _LACS_plot.Line_1_terminator_val_y_1 -1.40 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 0.94 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.39 _LACS_plot.Line_2_terminator_val_x_2 9.02 _LACS_plot.Line_2_terminator_val_y_2 3.43 _LACS_plot.Y_axis_chem_shift_offset -0.19 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 180 LEU 0.65 -5.13 0 12 GLN 4.54 1.86 1 13 LYS 4.41 2.06 1 14 GLU 6.53 3.74 1 16 ASP 5.07 2.75 1 17 ASN 3.67 2.30 1 18 ALA 2.73 1.43 1 19 LEU 4.64 2.19 1 20 ARG 3.86 2.95 1 21 GLN 4.51 2.99 1 22 LEU 3.98 1.33 1 23 GLU 2.96 2.10 1 24 THR 5.21 2.76 1 25 VAL 3.74 0.73 1 26 ARG 3.74 2.00 1 27 GLU 2.28 2.25 1 28 LEU 1.92 0.19 1 29 LEU -1.29 -1.12 1 30 GLU 1.50 0.65 1 33 VAL -0.94 -1.70 1 36 ILE -0.55 -0.34 1 37 ASN 0.42 -1.48 1 38 ASP -1.05 0.83 1 39 MET 0.90 1.81 1 40 SER -3.43 0.95 1 41 TYR 6.62 2.06 1 42 PHE 5.46 2.51 1 45 LEU 3.33 0.53 1 46 ASP 4.12 2.57 1 47 SER 3.07 4.14 1 48 VAL 5.75 1.80 1 49 MET 5.23 3.46 1 50 GLU 3.19 2.80 1 51 ASN 4.56 2.30 1 52 SER 5.51 2.14 1 53 LYS 4.03 2.60 1 54 VAL 4.08 2.41 1 55 LEU 3.23 0.67 1 57 GLU 2.78 2.87 1 58 ALA 3.79 1.97 1 59 MET 4.90 3.05 1 60 THR 6.29 1.26 1 62 ILE 5.42 0.31 1 63 SER 4.58 2.10 1 64 GLN 3.52 2.57 1 65 ASN 4.03 2.16 1 66 ALA 4.71 1.26 1 67 LYS 4.16 1.18 1 68 ASN -0.28 0.67 1 70 ASN -0.14 -0.37 1 73 GLU 5.43 3.19 1 74 PHE 4.70 0.08 1 76 ASP 3.23 2.10 1 77 ALA 4.54 1.65 1 78 ILE 5.03 1.29 1 79 ALA 3.71 3.46 1 80 THR 6.94 1.61 1 81 ALA 4.90 0.95 1 82 SER 4.29 2.21 1 83 LYS 4.67 3.23 1 84 ALA 2.99 1.75 1 85 LEU 3.74 2.99 1 88 PHE 3.40 1.59 1 89 THR 9.02 1.06 1 90 GLU 3.42 1.00 1 91 ALA 2.90 1.31 1 92 ALA 2.46 0.50 1 93 ALA 3.13 1.74 1 94 GLN 5.90 1.76 1 95 ALA 3.81 0.95 1 96 ALA 3.97 1.17 1 97 TYR 4.71 1.45 1 98 LEU 2.57 2.83 1 99 VAL 3.15 2.00 1 101 VAL 1.36 -0.01 1 102 SER 1.64 -0.60 1 105 ASN 0.43 -0.07 1 106 VAL -0.87 -1.03 1 107 ASP 0.13 -0.27 1 108 GLN -1.56 -1.12 1 109 ILE 0.80 -0.05 1 112 GLU 4.44 2.54 1 114 ARG 3.88 2.58 1 115 ALA 3.09 2.11 1 116 ALA 2.46 0.53 1 117 MET 0.47 0.90 1 120 ILE 3.53 -0.08 1 121 VAL 5.98 2.01 1 122 ILE 4.93 3.06 1 123 SER 5.48 1.57 1 124 ALA 3.24 1.01 1 125 LYS 5.19 3.06 1 126 THR 6.03 2.07 1 127 MET 4.28 0.95 1 128 LEU 3.12 2.23 1 129 GLU 3.05 3.57 1 130 SER 4.70 1.84 1 131 ALA 1.98 1.40 1 134 LEU 4.24 0.39 1 135 ILE 5.69 1.03 1 136 GLN 4.34 3.00 1 137 THR 7.02 0.95 1 138 ALA 4.13 -0.29 1 139 ARG 3.58 1.30 1 140 ALA 2.93 2.12 1 141 LEU 1.45 -0.76 1 142 ALA 3.60 1.48 1 143 VAL 2.01 0.13 1 146 ARG 2.67 -1.24 1 151 TRP 4.61 3.76 1 152 SER 5.02 2.87 1 153 VAL 5.24 2.52 1 154 LEU 5.41 1.06 1 155 ALA 3.84 2.84 1 157 HIS 2.11 4.10 1 158 SER 4.71 1.95 1 159 ARG 4.47 1.89 1 160 THR 6.76 3.63 1 161 VAL 7.17 1.38 1 162 SER 5.50 2.74 1 163 ASP 3.69 2.70 1 164 SER 5.50 1.36 1 165 ILE 5.33 0.88 1 166 LYS 4.93 3.10 1 167 LYS 3.97 2.45 1 168 LEU 4.31 0.62 1 169 ILE 6.54 1.74 1 170 THR 6.60 1.52 1 171 SER 5.52 1.74 1 172 MET 1.96 4.18 1 173 ARG 5.32 2.74 1 174 ASP 2.80 1.27 1 175 LYS -1.60 -1.87 1 176 ALA 0.63 -0.26 1 179 GLN -0.55 -0.91 1 stop_ save_