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 bmr5362_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.59 _LACS_plot.Line_1_terminator_val_y_1 -3.87 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.40 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.95 _LACS_plot.Line_2_terminator_val_x_2 8.91 _LACS_plot.Line_2_terminator_val_y_2 5.38 _LACS_plot.Y_axis_chem_shift_offset 0.87 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 159 HIS 3.59 5.90 0 10 ASN -3.92 -2.03 1 11 VAL -2.31 -1.28 1 12 ILE -4.93 -3.03 1 13 SER -3.60 -2.49 1 14 VAL -5.46 -2.45 1 15 VAL -0.88 -1.96 1 16 ASN -1.53 -2.66 1 17 GLU 4.12 1.79 1 18 GLN 1.22 -0.62 1 20 LYS -0.72 -2.09 1 21 GLU -1.75 -1.79 1 22 LEU -2.90 -2.51 1 23 VAL 0.20 -0.87 1 24 VAL -1.83 -2.12 1 25 MET -7.59 -3.24 1 27 ARG 4.51 0.96 1 29 LEU 1.67 1.60 1 30 ALA -2.81 -3.56 1 31 PHE 2.84 0.84 1 32 GLN 5.81 0.81 1 33 LYS -4.90 -3.34 1 34 LYS -4.92 -3.12 1 35 SER 3.43 1.43 1 37 ASP -0.58 -0.49 1 38 ASP 0.05 -0.40 1 39 VAL -1.35 -1.81 1 40 ASP 0.37 -2.02 1 41 GLU 3.61 1.70 1 42 ALA 2.49 0.57 1 43 ARG 2.37 4.08 1 44 ILE 4.21 2.58 1 45 GLU -0.97 -0.15 1 46 LYS -4.73 -2.24 1 47 VAL -1.45 -1.62 1 49 THR -0.39 -2.03 1 50 LEU -0.25 -1.92 1 51 ASP 1.09 1.04 1 52 ASN -0.93 -0.67 1 54 ASP 3.92 2.30 1 55 VAL 5.03 2.67 1 57 GLU 3.82 1.93 1 58 LYS 3.74 2.19 1 60 LYS 5.94 3.64 1 61 THR 5.01 3.35 1 62 LEU 4.26 3.50 1 68 ILE 3.93 1.66 1 69 GLU 5.56 2.71 1 71 MET 2.49 1.87 1 72 GLU 3.47 2.19 1 73 VAL 3.98 1.42 1 75 GLU 5.50 2.67 1 76 GLU 3.94 2.25 1 77 ILE 5.56 3.84 1 78 ILE 6.46 4.78 1 80 TYR 3.68 2.53 1 81 ALA 3.99 1.90 1 82 LYS 4.39 3.28 1 83 LEU 2.94 1.43 1 84 GLN 1.85 0.45 1 85 LEU 0.21 -0.56 1 87 LYS -3.53 -2.62 1 88 LYS 0.55 -0.76 1 89 LEU -2.43 -3.11 1 90 ASN -0.71 0.94 1 91 ASP 2.91 2.06 1 93 ILE 2.57 0.60 1 94 TYR 7.99 4.37 1 98 THR 6.59 3.55 1 100 HIS 6.47 4.70 1 101 ILE 6.23 2.28 1 102 ASN 3.83 3.41 1 103 PHE 4.48 2.61 1 104 ALA 3.51 1.28 1 105 ILE 5.67 3.54 1 106 GLN 3.89 1.93 1 107 ARG 4.29 1.49 1 108 ASN 2.49 2.26 1 109 GLN 3.04 1.29 1 110 LYS 0.81 -0.45 1 112 LEU -0.04 -1.24 1 113 ASP -0.43 -1.04 1 114 ILE -0.10 -0.90 1 115 LYS 2.83 0.69 1 116 ASN 1.49 -0.41 1 117 ALA 3.52 2.27 1 118 LEU 4.79 1.59 1 119 LEU 4.86 2.03 1 121 GLU 2.54 1.03 1 123 LYS 4.80 2.33 1 124 ARG 3.07 1.80 1 125 LEU 0.88 0.42 1 126 TYR -0.48 -4.24 1 127 LYS 5.28 3.58 1 128 ASP 4.36 2.38 1 129 GLU 8.92 4.63 1 130 PHE 4.76 3.83 1 131 ALA 4.85 2.26 1 132 ILE 6.18 2.93 1 134 LYS 5.49 2.80 1 135 GLU 3.40 0.95 1 136 ALA 2.41 1.03 1 137 LEU 5.96 2.23 1 138 VAL 5.51 2.97 1 139 MET 5.16 3.28 1 140 VAL 6.54 4.48 1 141 LYS 5.09 2.57 1 142 ASN 3.96 1.84 1 143 LYS 1.53 0.12 1 146 VAL 1.33 -0.24 1 147 SER -0.27 -2.51 1 148 LEU 0.57 -1.61 1 150 GLU 3.37 1.89 1 151 ASP 2.42 0.70 1 152 GLU 3.87 1.28 1 153 ALA 5.24 2.38 1 155 PHE 4.88 3.95 1 156 ILE 6.45 4.27 1 157 ALA 6.09 2.63 1 158 LEU 4.12 1.84 1 160 ILE 6.37 3.74 1 161 VAL 5.79 3.40 1 162 ASN 3.65 3.49 1 163 ALA 1.54 1.28 1 164 GLU 2.19 1.59 1 165 LEU 3.29 1.84 1 166 ASN 2.65 1.30 1 167 GLU 1.73 0.37 1 168 LEU 1.43 0.50 1 169 GLN 1.48 0.03 1 170 HIS 0.78 0.40 1 171 HIS 1.48 1.49 1 172 HIS 1.48 1.49 1 173 HIS 1.48 1.49 1 174 HIS 1.48 1.49 1 175 HIS 1.48 1.49 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5362_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.59 _LACS_plot.Line_1_terminator_val_y_1 3.72 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -2.40 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.05 _LACS_plot.Line_2_terminator_val_x_2 8.91 _LACS_plot.Line_2_terminator_val_y_2 -3.53 _LACS_plot.Y_axis_chem_shift_offset 0.87 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 159 HIS 3.59 2.31 0 10 ASN -3.92 1.89 1 11 VAL -2.31 1.03 1 12 ILE -4.93 1.90 1 13 SER -3.60 1.11 1 14 VAL -5.46 3.01 1 15 VAL -0.88 -1.08 1 16 ASN -1.53 -1.13 1 17 GLU 4.12 -2.33 1 18 GLN 1.22 -1.84 1 20 LYS -0.72 -1.37 1 21 GLU -1.75 -0.04 1 22 LEU -2.90 0.39 1 23 VAL 0.20 -1.07 1 24 VAL -1.83 -0.29 1 25 MET -7.59 4.35 1 27 ARG 4.51 -3.55 1 29 LEU 1.67 -0.07 1 30 ALA -2.81 -0.75 1 31 PHE 2.84 -2.00 1 32 GLN 5.81 -5.00 1 33 LYS -4.90 1.56 1 34 LYS -4.92 1.80 1 35 SER 3.43 -2.00 1 37 ASP -0.58 0.09 1 38 ASP 0.05 -0.45 1 39 VAL -1.35 -0.46 1 40 ASP 0.37 -2.39 1 41 GLU 3.61 -1.91 1 42 ALA 2.49 -1.92 1 43 ARG 2.37 1.71 1 44 ILE 4.21 -1.63 1 45 GLU -0.97 0.82 1 46 LYS -4.73 2.49 1 47 VAL -1.45 -0.17 1 49 THR -0.39 -1.64 1 50 LEU -0.25 -1.67 1 51 ASP 1.09 -0.05 1 52 ASN -0.93 0.26 1 54 ASP 3.92 -1.62 1 55 VAL 5.03 -2.36 1 57 GLU 3.82 -1.89 1 58 LYS 3.74 -1.55 1 60 LYS 5.94 -2.30 1 61 THR 5.01 -1.66 1 62 LEU 4.26 -0.76 1 68 ILE 3.93 -2.27 1 69 GLU 5.56 -2.85 1 71 MET 2.49 -0.62 1 72 GLU 3.47 -1.28 1 73 VAL 3.98 -2.56 1 75 GLU 5.50 -2.83 1 76 GLU 3.94 -1.69 1 77 ILE 5.56 -1.72 1 78 ILE 6.46 -1.68 1 80 TYR 3.68 -1.15 1 81 ALA 3.99 -2.09 1 82 LYS 4.39 -1.11 1 83 LEU 2.94 -1.51 1 84 GLN 1.85 -1.40 1 85 LEU 0.21 -0.77 1 87 LYS -3.53 0.91 1 88 LYS 0.55 -1.31 1 89 LEU -2.43 -0.68 1 90 ASN -0.71 1.65 1 91 ASP 2.91 -0.85 1 93 ILE 2.57 -1.97 1 94 TYR 7.99 -3.62 1 98 THR 6.59 -3.04 1 100 HIS 6.47 -1.77 1 101 ILE 6.23 -3.95 1 102 ASN 3.83 -0.42 1 103 PHE 4.48 -1.87 1 104 ALA 3.51 -2.23 1 105 ILE 5.67 -2.13 1 106 GLN 3.89 -1.96 1 107 ARG 4.29 -2.80 1 108 ASN 2.49 -0.23 1 109 GLN 3.04 -1.75 1 110 LYS 0.81 -1.26 1 112 LEU -0.04 -1.20 1 113 ASP -0.43 -0.61 1 114 ILE -0.10 -0.80 1 115 LYS 2.83 -2.14 1 116 ASN 1.49 -1.90 1 117 ALA 3.52 -1.25 1 118 LEU 4.79 -3.20 1 119 LEU 4.86 -2.83 1 121 GLU 2.54 -1.51 1 123 LYS 4.80 -2.47 1 124 ARG 3.07 -1.27 1 125 LEU 0.88 -0.46 1 126 TYR -0.48 -3.76 1 127 LYS 5.28 -1.70 1 128 ASP 4.36 -1.98 1 129 GLU 8.92 -4.29 1 130 PHE 4.76 -0.93 1 131 ALA 4.85 -2.59 1 132 ILE 6.18 -3.25 1 134 LYS 5.49 -2.69 1 135 GLU 3.40 -2.45 1 136 ALA 2.41 -1.38 1 137 LEU 5.96 -3.73 1 138 VAL 5.51 -2.54 1 139 MET 5.16 -1.88 1 140 VAL 6.54 -2.06 1 141 LYS 5.09 -2.52 1 142 ASN 3.96 -2.12 1 143 LYS 1.53 -1.41 1 146 VAL 1.33 -1.57 1 147 SER -0.27 -2.24 1 148 LEU 0.57 -2.18 1 150 GLU 3.37 -1.48 1 151 ASP 2.42 -1.72 1 152 GLU 3.87 -2.59 1 153 ALA 5.24 -2.86 1 155 PHE 4.88 -0.93 1 156 ILE 6.45 -2.18 1 157 ALA 6.09 -3.46 1 158 LEU 4.12 -2.28 1 160 ILE 6.37 -2.63 1 161 VAL 5.79 -2.39 1 162 ASN 3.65 -0.16 1 163 ALA 1.54 -0.26 1 164 GLU 2.19 -0.60 1 165 LEU 3.29 -1.45 1 166 ASN 2.65 -1.35 1 167 GLU 1.73 -1.36 1 168 LEU 1.43 -0.93 1 169 GLN 1.48 -1.45 1 170 HIS 0.78 -0.38 1 171 HIS 1.48 0.01 1 172 HIS 1.48 0.01 1 173 HIS 1.48 0.01 1 174 HIS 1.48 0.01 1 175 HIS 1.48 0.01 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5362_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.59 _LACS_plot.Line_1_terminator_val_y_1 -3.18 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.79 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.83 _LACS_plot.Line_2_terminator_val_x_2 8.91 _LACS_plot.Line_2_terminator_val_y_2 3.28 _LACS_plot.Y_axis_chem_shift_offset 0.06 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 25 MET -7.59 -0.33 0 10 ASN -3.92 -1.38 1 11 VAL -2.31 -2.31 1 12 ILE -4.93 -2.37 1 13 SER -3.60 -0.44 1 14 VAL -5.46 -2.85 1 15 VAL -0.88 0.24 1 16 ASN -1.53 2.12 1 17 GLU 4.12 0.73 1 18 GLN 1.22 0.21 1 20 LYS -0.72 -1.79 1 21 GLU -1.75 -1.12 1 22 LEU -2.90 -1.46 1 23 VAL 0.20 -2.03 1 24 VAL -1.83 -3.20 1 27 ARG 4.51 2.30 1 29 LEU 1.67 -1.94 1 30 ALA -2.81 -1.08 1 31 PHE 2.84 -0.05 1 32 GLN 5.81 -1.26 1 33 LYS -4.90 -1.49 1 34 LYS -4.92 -1.15 1 35 SER 3.43 0.85 1 37 ASP -0.58 -0.49 1 38 ASP 0.05 0.21 1 39 VAL -1.35 -0.68 1 40 ASP 0.37 0.12 1 41 GLU 3.61 1.67 1 42 ALA 2.49 -1.08 1 43 ARG 2.37 -0.15 1 44 ILE 4.21 -0.43 1 45 GLU -0.97 -0.30 1 46 LYS -4.73 -3.41 1 47 VAL -1.45 -1.19 1 49 THR -0.39 -1.22 1 50 LEU -0.25 -0.53 1 51 ASP 1.09 -0.12 1 54 ASP 3.92 2.69 1 55 VAL 5.03 1.34 1 57 GLU 3.82 2.87 1 58 LYS 3.74 2.65 1 60 LYS 5.94 1.36 1 61 THR 5.01 1.87 1 68 ILE 3.93 0.34 1 69 GLU 5.56 2.40 1 71 MET 2.49 1.80 1 72 GLU 3.47 2.81 1 73 VAL 3.98 -0.06 1 75 GLU 5.50 1.63 1 76 GLU 3.94 3.38 1 77 ILE 5.56 0.81 1 78 ILE 6.46 1.43 1 80 TYR 3.68 1.11 1 81 ALA 3.99 1.48 1 82 LYS 4.39 3.16 1 83 LEU 2.94 1.81 1 84 GLN 1.85 2.48 1 85 LEU 0.21 0.86 1 87 LYS -3.53 -1.30 1 88 LYS 0.55 -0.74 1 89 LEU -2.43 -1.79 1 90 ASN -0.71 -0.19 1 91 ASP 2.91 0.77 1 93 ILE 2.57 -0.73 1 94 TYR 7.99 2.01 1 98 THR 6.59 1.03 1 100 HIS 6.47 2.42 1 101 ILE 6.23 0.52 1 102 ASN 3.83 1.67 1 103 PHE 4.48 1.50 1 104 ALA 3.51 3.02 1 105 ILE 5.67 1.48 1 106 GLN 3.89 2.36 1 107 ARG 4.29 1.48 1 108 ASN 2.49 2.11 1 109 GLN 3.04 1.51 1 110 LYS 0.81 0.49 1 112 LEU -0.04 -1.22 1 113 ASP -0.43 -0.20 1 114 ILE -0.10 0.04 1 115 LYS 2.83 0.81 1 116 ASN 1.49 -0.04 1 117 ALA 3.52 2.23 1 118 LEU 4.79 1.42 1 119 LEU 4.86 0.80 1 121 GLU 2.54 1.94 1 123 LYS 4.80 -0.03 1 124 ARG 3.07 2.43 1 125 LEU 0.88 -0.57 1 126 TYR -0.48 -0.82 1 127 LYS 5.28 3.75 1 128 ASP 4.36 2.74 1 129 GLU 8.92 1.52 1 130 PHE 4.76 0.94 1 131 ALA 4.85 0.32 1 132 ILE 6.18 1.19 1 134 LYS 5.49 3.71 1 135 GLU 3.40 3.08 1 136 ALA 2.41 1.54 1 137 LEU 5.96 3.58 1 138 VAL 5.51 1.74 1 139 MET 5.16 3.64 1 140 VAL 6.54 3.23 1 141 LYS 5.09 2.97 1 142 ASN 3.96 1.69 1 143 LYS 1.53 0.92 1 146 VAL 1.33 -0.99 1 147 SER -0.27 -1.13 1 148 LEU 0.57 -1.85 1 150 GLU 3.37 -0.08 1 151 ASP 2.42 3.17 1 152 GLU 3.87 1.79 1 153 ALA 5.24 1.86 1 155 PHE 4.88 2.37 1 156 ILE 6.45 1.43 1 157 ALA 6.09 1.12 1 158 LEU 4.12 3.61 1 159 HIS 3.59 3.77 1 160 ILE 6.37 1.10 1 161 VAL 5.79 0.67 1 162 ASN 3.65 1.51 1 163 ALA 1.54 3.05 1 164 GLU 2.19 2.49 1 165 LEU 3.29 1.06 1 166 ASN 2.65 1.77 1 167 GLU 1.73 0.95 1 168 LEU 1.43 0.70 1 169 GLN 1.48 0.36 1 170 HIS 0.78 -0.13 1 171 HIS 1.48 5.03 1 172 HIS 1.48 5.03 1 173 HIS 1.48 5.03 1 174 HIS 1.48 5.03 1 175 HIS 1.48 5.03 1 stop_ save_