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 bmr26658_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -5.79 _LACS_plot.Line_1_terminator_val_y_1 -3.42 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.58 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.73 _LACS_plot.Line_2_terminator_val_x_2 7.81 _LACS_plot.Line_2_terminator_val_y_2 4.94 _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 139 GLN 7.44 1.41 0 49 HIS -1.93 1.76 0 11 LYS 6.13 4.02 1 12 VAL 5.09 3.03 1 13 ALA 4.08 2.09 1 14 ILE 5.70 4.05 1 15 TYR 4.40 3.10 1 16 ASN 3.98 2.02 1 17 ALA 2.63 1.81 1 18 PHE 3.85 2.72 1 19 ILE 5.77 3.08 1 20 SER 4.74 3.02 1 21 LEU 3.47 2.17 1 22 LEU 1.67 0.27 1 23 GLN 3.11 1.63 1 24 GLU -3.47 -1.70 1 25 ASN -5.03 -1.84 1 26 ASP -0.86 -0.58 1 27 TYR 3.99 3.27 1 28 SER 3.43 1.76 1 29 LYS -0.17 -1.00 1 30 ILE 0.13 0.00 1 31 THR -5.37 -3.34 1 32 VAL 7.10 4.33 1 33 GLN 4.99 2.73 1 34 ASP 3.01 2.63 1 35 VAL 5.65 3.52 1 36 ILE 7.81 4.05 1 38 LEU 2.26 1.09 1 39 ALA 0.62 -0.20 1 40 ASN 2.83 0.25 1 41 VAL -5.79 -4.29 1 45 THR 5.99 3.65 1 46 PHE 6.43 4.93 1 47 TYR 3.40 1.52 1 48 SER 3.59 1.66 1 50 TYR -3.61 -1.60 1 51 GLU 1.54 1.20 1 52 SER -3.48 -2.22 1 53 LYS 5.03 2.92 1 54 GLU 3.85 2.52 1 55 VAL 5.49 3.43 1 56 LEU 5.83 2.45 1 57 LEU 5.07 2.25 1 58 LYS 5.47 3.78 1 59 GLU 3.91 2.66 1 60 LEU 3.94 2.28 1 62 GLU 4.00 2.09 1 63 ASP 2.90 2.52 1 64 LEU 3.49 2.25 1 65 PHE 4.73 0.96 1 66 HIS 4.29 3.93 1 67 HIS 2.28 2.38 1 68 LEU 1.75 1.79 1 69 PHE 1.23 0.10 1 70 LYS 2.19 -0.78 1 71 GLN -0.35 -0.72 1 73 ARG 1.62 0.28 1 74 ASP 1.24 -0.33 1 75 VAL -1.81 -2.01 1 76 THR -0.89 -0.71 1 77 PHE 4.89 3.25 1 78 GLU 5.56 3.80 1 79 GLU 2.75 1.92 1 80 TYR 2.38 1.11 1 81 LEU 3.22 1.63 1 82 VAL 7.44 4.61 1 83 HIS 4.39 4.10 1 84 ILE 5.48 3.83 1 85 LEU 5.29 3.14 1 86 LYS 4.80 2.62 1 87 HIS 4.62 4.79 1 96 ALA 3.54 1.98 1 97 THR 5.40 3.49 1 98 LEU 5.08 2.06 1 99 LEU 4.55 2.81 1 100 LEU 2.60 0.10 1 101 SER 1.05 1.04 1 102 ASP 2.75 1.17 1 103 ASP -3.01 -1.60 1 105 TYR 5.64 4.02 1 106 PHE 6.10 4.69 1 107 LEU 4.83 2.70 1 108 LEU 4.40 2.45 1 109 ARG 3.93 0.58 1 110 PHE 2.61 1.34 1 111 ARG 5.67 3.59 1 112 SER 4.49 2.70 1 113 GLU 3.70 1.23 1 114 LEU 2.54 1.80 1 115 GLU 4.45 2.55 1 116 HIS 2.88 2.84 1 117 ASP 0.30 1.28 1 118 VAL 1.89 1.79 1 121 ARG 3.69 1.75 1 122 LEU 2.79 2.48 1 123 ARG 4.80 1.71 1 124 GLU 2.03 1.43 1 125 GLU 1.15 0.81 1 128 THR 0.18 0.00 1 129 LYS 0.19 -0.50 1 130 VAL -1.58 -2.21 1 131 ASP 0.34 -1.38 1 132 ILE -5.41 -4.68 1 134 GLU 3.69 2.28 1 135 ASP 4.91 2.27 1 136 PHE 3.41 2.14 1 137 LEU 3.77 2.67 1 138 LYS 4.96 3.06 1 140 PHE 2.88 2.31 1 141 LEU 4.82 2.73 1 142 LEU 4.82 2.51 1 143 SER 5.98 3.42 1 145 PHE 5.87 4.25 1 146 ILE 6.40 4.82 1 147 GLU 3.87 1.47 1 149 LEU 4.56 2.92 1 150 LYS 5.12 4.07 1 151 TRP 5.66 3.42 1 152 TRP 3.56 2.09 1 153 LEU 2.54 0.95 1 154 HIS 1.25 1.48 1 155 GLN 0.82 -1.01 1 156 ARG 3.15 1.24 1 157 GLN 0.64 -1.47 1 158 LYS 0.78 0.02 1 159 MET -1.23 -0.23 1 160 THR -0.92 -0.68 1 161 VAL 5.40 2.84 1 162 GLU 6.17 3.63 1 163 ASP 4.79 2.08 1 164 LEU 4.47 2.59 1 165 LEU 3.58 1.63 1 166 LYS 4.93 2.32 1 167 TYR 5.79 0.67 1 168 TYR 6.17 5.12 1 169 LEU 5.00 1.84 1 170 THR 5.76 3.92 1 171 MET 2.67 -0.88 1 172 VAL 1.14 -0.06 1 173 GLU 1.07 -0.05 1 174 ARG 0.96 0.69 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26658_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -5.79 _LACS_plot.Line_1_terminator_val_y_1 2.37 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.42 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.27 _LACS_plot.Line_2_terminator_val_x_2 7.81 _LACS_plot.Line_2_terminator_val_y_2 -2.87 _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 139 GLN 7.44 -6.03 0 49 HIS -1.93 3.69 0 11 LYS 6.13 -2.11 1 12 VAL 5.09 -2.06 1 13 ALA 4.08 -1.99 1 14 ILE 5.70 -1.65 1 15 TYR 4.40 -1.30 1 16 ASN 3.98 -1.96 1 17 ALA 2.63 -0.82 1 18 PHE 3.85 -1.13 1 19 ILE 5.77 -2.69 1 20 SER 4.74 -1.72 1 21 LEU 3.47 -1.30 1 22 LEU 1.67 -1.40 1 23 GLN 3.11 -1.48 1 24 GLU -3.47 1.77 1 25 ASN -5.03 3.19 1 26 ASP -0.86 0.28 1 27 TYR 3.99 -0.72 1 28 SER 3.43 -1.67 1 29 LYS -0.17 -0.83 1 30 ILE 0.13 -0.13 1 31 THR -5.37 2.03 1 32 VAL 7.10 -2.77 1 33 GLN 4.99 -2.26 1 34 ASP 3.01 -0.38 1 35 VAL 5.65 -2.13 1 36 ILE 7.81 -3.76 1 38 LEU 2.26 -1.17 1 39 ALA 0.62 -0.82 1 40 ASN 2.83 -2.58 1 41 VAL -5.79 1.50 1 45 THR 5.99 -2.34 1 46 PHE 6.43 -1.50 1 47 TYR 3.40 -1.88 1 48 SER 3.59 -1.93 1 50 TYR -3.61 2.01 1 51 GLU 1.54 -0.34 1 52 SER -3.48 1.26 1 53 LYS 5.03 -2.11 1 54 GLU 3.85 -1.33 1 55 VAL 5.49 -2.06 1 56 LEU 5.83 -3.38 1 57 LEU 5.07 -2.82 1 58 LYS 5.47 -1.69 1 59 GLU 3.91 -1.25 1 60 LEU 3.94 -1.66 1 62 GLU 4.00 -1.91 1 63 ASP 2.90 -0.38 1 64 LEU 3.49 -1.24 1 65 PHE 4.73 -3.77 1 66 HIS 4.29 -0.36 1 67 HIS 2.28 0.10 1 68 LEU 1.75 0.04 1 69 PHE 1.23 -1.13 1 70 LYS 2.19 -2.97 1 71 GLN -0.35 -0.37 1 73 ARG 1.62 -1.34 1 74 ASP 1.24 -1.57 1 75 VAL -1.81 -0.20 1 76 THR -0.89 0.18 1 77 PHE 4.89 -1.64 1 78 GLU 5.56 -1.76 1 79 GLU 2.75 -0.83 1 80 TYR 2.38 -1.27 1 81 LEU 3.22 -1.59 1 82 VAL 7.44 -2.83 1 83 HIS 4.39 -0.29 1 84 ILE 5.48 -1.65 1 85 LEU 5.29 -2.15 1 86 LYS 4.80 -2.18 1 87 HIS 4.62 0.17 1 96 ALA 3.54 -1.56 1 97 THR 5.40 -1.91 1 98 LEU 5.08 -3.02 1 99 LEU 4.55 -1.74 1 100 LEU 2.60 -2.50 1 101 SER 1.05 -0.01 1 102 ASP 2.75 -1.58 1 103 ASP -3.01 1.41 1 105 TYR 5.64 -1.62 1 106 PHE 6.10 -1.41 1 107 LEU 4.83 -2.13 1 108 LEU 4.40 -1.95 1 109 ARG 3.93 -3.35 1 110 PHE 2.61 -1.27 1 111 ARG 5.67 -2.08 1 112 SER 4.49 -1.79 1 113 GLU 3.70 -2.47 1 114 LEU 2.54 -0.74 1 115 GLU 4.45 -1.90 1 116 HIS 2.88 -0.04 1 117 ASP 0.30 0.98 1 118 VAL 1.89 -0.10 1 121 ARG 3.69 -1.94 1 122 LEU 2.79 -0.31 1 123 ARG 4.80 -3.09 1 124 GLU 2.03 -0.60 1 125 GLU 1.15 -0.34 1 128 THR 0.18 -0.18 1 129 LYS 0.19 -0.69 1 130 VAL -1.58 -0.63 1 131 ASP 0.34 -1.72 1 132 ILE -5.41 0.73 1 134 GLU 3.69 -1.41 1 135 ASP 4.91 -2.64 1 136 PHE 3.41 -1.27 1 137 LEU 3.77 -1.10 1 138 LYS 4.96 -1.90 1 140 PHE 2.88 -0.57 1 141 LEU 4.82 -2.09 1 142 LEU 4.82 -2.31 1 143 SER 5.98 -2.56 1 145 PHE 5.87 -1.62 1 146 ILE 6.40 -1.58 1 147 GLU 3.87 -2.40 1 149 LEU 4.56 -1.64 1 150 LYS 5.12 -1.05 1 151 TRP 5.66 -2.24 1 152 TRP 3.56 -1.47 1 153 LEU 2.54 -1.59 1 154 HIS 1.25 0.23 1 155 GLN 0.82 -1.83 1 156 ARG 3.15 -1.91 1 157 GLN 0.64 -2.11 1 158 LYS 0.78 -0.76 1 159 MET -1.23 1.00 1 160 THR -0.92 0.24 1 161 VAL 5.40 -2.56 1 162 GLU 6.17 -2.54 1 163 ASP 4.79 -2.71 1 164 LEU 4.47 -1.88 1 165 LEU 3.58 -1.95 1 166 LYS 4.93 -2.61 1 167 TYR 5.79 -5.12 1 168 TYR 6.17 -1.05 1 169 LEU 5.00 -3.16 1 170 THR 5.76 -1.84 1 171 MET 2.67 -3.55 1 172 VAL 1.14 -1.20 1 173 GLU 1.07 -1.12 1 174 ARG 0.96 -0.27 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26658_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -5.79 _LACS_plot.Line_1_terminator_val_y_1 -1.71 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.75 _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 7.81 _LACS_plot.Line_2_terminator_val_y_2 2.32 _LACS_plot.Y_axis_chem_shift_offset -0.14 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 132 ILE -5.41 -3.38 0 31 THR -5.37 1.22 0 11 LYS 6.13 1.34 1 12 VAL 5.09 1.18 1 13 ALA 4.08 3.63 1 14 ILE 5.70 -0.04 1 15 TYR 4.40 1.53 1 16 ASN 3.98 3.39 1 17 ALA 2.63 0.73 1 18 PHE 3.85 0.08 1 19 ILE 5.77 2.60 1 20 SER 4.74 3.43 1 21 LEU 3.47 2.08 1 22 LEU 1.67 -0.43 1 23 GLN 3.11 1.24 1 24 GLU -3.47 -1.67 1 25 ASN -5.03 -2.55 1 26 ASP -0.86 0.61 1 27 TYR 3.99 1.73 1 28 SER 3.43 0.21 1 29 LYS -0.17 -0.10 1 30 ILE 0.13 -0.89 1 32 VAL 7.10 0.86 1 33 GLN 4.99 2.34 1 34 ASP 3.01 2.19 1 35 VAL 5.65 1.16 1 36 ILE 7.81 2.17 1 38 LEU 2.26 0.66 1 39 ALA 0.62 -1.56 1 40 ASN 2.83 -0.74 1 41 VAL -5.79 -1.21 1 45 THR 5.99 1.70 1 46 PHE 6.43 0.89 1 47 TYR 3.40 1.20 1 48 SER 3.59 -0.66 1 49 HIS -1.93 0.19 1 50 TYR -3.61 -1.65 1 51 GLU 1.54 -0.45 1 52 SER -3.48 -0.49 1 53 LYS 5.03 -0.26 1 54 GLU 3.85 1.72 1 55 VAL 5.49 1.72 1 56 LEU 5.83 -0.19 1 57 LEU 5.07 1.14 1 58 LYS 5.47 2.31 1 59 GLU 3.91 2.49 1 60 LEU 3.94 1.69 1 62 GLU 4.00 2.58 1 63 ASP 2.90 2.27 1 64 LEU 3.49 2.82 1 65 PHE 4.73 2.56 1 66 HIS 4.29 2.69 1 67 HIS 2.28 2.63 1 68 LEU 1.75 -0.84 1 69 PHE 1.23 1.64 1 70 LYS 2.19 -0.65 1 71 GLN -0.35 0.22 1 73 ARG 1.62 0.05 1 74 ASP 1.24 -0.86 1 75 VAL -1.81 0.60 1 76 THR -0.89 0.30 1 77 PHE 4.89 1.12 1 78 GLU 5.56 1.53 1 79 GLU 2.75 2.39 1 80 TYR 2.38 1.93 1 81 LEU 3.22 1.69 1 82 VAL 7.44 0.92 1 83 HIS 4.39 3.82 1 84 ILE 5.48 1.80 1 85 LEU 5.29 2.49 1 86 LYS 4.80 2.59 1 87 HIS 4.62 4.16 1 96 ALA 3.54 0.94 1 97 THR 5.40 2.99 1 98 LEU 5.08 1.63 1 99 LEU 4.55 0.61 1 100 LEU 2.60 -0.17 1 101 SER 1.05 0.27 1 102 ASP 2.75 -0.72 1 103 ASP -3.01 -0.74 1 105 TYR 5.64 1.54 1 106 PHE 6.10 1.16 1 107 LEU 4.83 1.62 1 108 LEU 4.40 2.58 1 109 ARG 3.93 1.99 1 110 PHE 2.61 0.88 1 111 ARG 5.67 1.33 1 112 SER 4.49 2.36 1 113 GLU 3.70 2.83 1 114 LEU 2.54 2.54 1 115 GLU 4.45 -0.20 1 116 HIS 2.88 1.91 1 117 ASP 0.30 0.36 1 118 VAL 1.89 -1.09 1 121 ARG 3.69 0.94 1 122 LEU 2.79 0.44 1 123 ARG 4.80 1.85 1 124 GLU 2.03 1.75 1 125 GLU 1.15 1.15 1 128 THR 0.18 0.80 1 129 LYS 0.19 -0.38 1 130 VAL -1.58 -1.54 1 131 ASP 0.34 -1.81 1 134 GLU 3.69 1.17 1 135 ASP 4.91 2.68 1 136 PHE 3.41 0.53 1 137 LEU 3.77 0.06 1 138 LYS 4.96 1.22 1 139 GLN 7.44 0.52 1 140 PHE 2.88 3.80 1 141 LEU 4.82 1.21 1 142 LEU 4.82 1.25 1 143 SER 5.98 1.82 1 145 PHE 5.87 0.23 1 146 ILE 6.40 1.53 1 147 GLU 3.87 3.43 1 149 LEU 4.56 0.59 1 150 LYS 5.12 1.22 1 151 TRP 5.66 2.74 1 152 TRP 3.56 1.83 1 153 LEU 2.54 0.97 1 154 HIS 1.25 1.39 1 155 GLN 0.82 -0.18 1 156 ARG 3.15 0.61 1 157 GLN 0.64 -0.86 1 158 LYS 0.78 0.73 1 159 MET -1.23 0.54 1 160 THR -0.92 0.79 1 161 VAL 5.40 0.25 1 162 GLU 6.17 2.80 1 163 ASP 4.79 -0.78 1 164 LEU 4.47 1.06 1 165 LEU 3.58 0.08 1 166 LYS 4.93 3.90 1 167 TYR 5.79 0.79 1 168 TYR 6.17 0.49 1 169 LEU 5.00 1.99 1 170 THR 5.76 1.31 1 171 MET 2.67 1.13 1 172 VAL 1.14 -0.64 1 173 GLU 1.07 -0.49 1 174 ARG 0.96 3.52 1 stop_ save_