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 bmr17576_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.03 _LACS_plot.Line_1_terminator_val_y_1 -2.30 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.86 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.10 _LACS_plot.Line_2_terminator_val_x_2 6.13 _LACS_plot.Line_2_terminator_val_y_2 3.30 _LACS_plot.Y_axis_chem_shift_offset -0.07 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 55 PHE 2.98 -1.98 0 145 TYR 2.21 -2.85 0 10 PHE -3.86 -1.07 1 11 TYR -1.99 -1.10 1 12 GLU 0.58 2.41 1 13 ASP -4.36 -1.58 1 14 LYS -0.16 0.69 1 15 ASN 3.50 1.33 1 16 PHE 2.97 -1.75 1 17 GLN -4.72 -2.14 1 19 ARG 1.81 2.12 1 20 ARG -6.94 -2.91 1 21 TYR -3.61 0.18 1 22 ASP -4.27 -1.46 1 24 ASP -2.09 -1.52 1 26 ASP 2.58 2.00 1 28 ALA 2.09 1.76 1 29 ASP 0.77 0.42 1 30 PHE 0.21 -1.82 1 31 HIS 5.67 3.93 1 32 THR 3.50 1.67 1 33 TYR -0.57 0.29 1 34 LEU -3.22 -0.01 1 35 SER 1.10 1.72 1 36 ARG -1.37 -1.21 1 38 ASN -4.53 0.25 1 39 SER 0.89 1.76 1 40 ILE -7.00 -0.35 1 41 LYS -2.32 0.60 1 42 VAL 0.06 0.20 1 43 GLU -0.87 0.46 1 46 THR 0.42 0.44 1 47 TRP -3.99 -1.15 1 48 ALA -3.78 -2.04 1 49 VAL -4.13 -3.06 1 50 TYR -2.57 -1.13 1 51 GLU -2.00 1.65 1 52 ARG -1.15 -0.48 1 54 ASN 3.56 0.99 1 56 ALA -5.56 -2.23 1 58 TYR 0.80 1.49 1 60 TYR -4.75 -2.58 1 61 ILE 0.30 -2.15 1 62 LEU -3.19 -0.01 1 64 GLN 2.04 1.89 1 66 GLU -2.93 -0.74 1 67 TYR -2.52 -0.73 1 69 GLU -5.02 -2.04 1 70 TYR 0.60 0.27 1 71 GLN 6.14 3.75 1 72 ARG 1.76 0.34 1 73 TRP 1.20 -0.68 1 74 MET 4.62 1.11 1 76 LEU 0.18 0.75 1 77 ASN -0.67 -1.84 1 78 ASP -0.12 -1.86 1 79 ARG -0.05 -0.45 1 80 LEU -5.91 -0.19 1 81 SER -3.25 -0.42 1 82 SER -1.27 0.81 1 84 ARG -4.23 -0.84 1 85 ALA 0.74 -0.98 1 86 VAL 1.11 -0.02 1 87 HIS -0.36 -0.88 1 88 LEU -0.02 -0.57 1 90 SER 1.13 0.80 1 93 GLN -1.50 -0.69 1 94 TYR -3.56 -1.47 1 95 LYS -0.15 1.86 1 96 ILE -5.88 -1.80 1 97 GLN -3.84 -2.11 1 98 ILE -3.27 -1.38 1 99 PHE -2.73 -0.87 1 100 GLU -1.79 1.45 1 101 LYS -4.70 -2.09 1 103 ASP 3.89 1.78 1 104 PHE 1.66 -2.51 1 105 SER -3.12 -1.27 1 107 GLN 1.39 1.49 1 108 MET -4.91 -2.45 1 109 TYR -3.60 -0.37 1 110 GLU -6.84 -2.68 1 111 THR -2.96 -2.11 1 112 THR -1.19 -0.70 1 113 GLU -6.01 -2.15 1 114 ASP 1.70 1.64 1 117 SER -0.10 -1.37 1 118 ILE 4.02 3.81 1 119 MET 4.55 3.14 1 120 GLU 2.46 2.24 1 121 GLN 1.90 2.20 1 122 PHE -2.12 -1.32 1 123 HIS 4.21 1.24 1 124 MET -5.41 -0.52 1 125 ARG -0.42 0.68 1 126 GLU -7.03 -2.32 1 127 ILE -1.67 0.08 1 128 HIS -1.50 1.67 1 129 SER 0.41 1.39 1 133 LEU 2.43 2.06 1 134 GLU -4.33 -1.18 1 136 VAL -2.05 -0.08 1 137 TRP -5.13 -1.88 1 139 PHE -6.06 -4.63 1 140 TYR -2.46 -1.49 1 141 GLU -1.11 2.52 1 142 LEU -1.24 -0.97 1 144 ASN 3.28 1.07 1 146 ARG -5.52 -2.27 1 148 ARG 1.80 1.68 1 149 GLN -4.92 -1.86 1 150 TYR -4.06 -1.68 1 151 LEU -2.27 -0.16 1 156 GLU 1.13 0.72 1 157 TYR -4.95 -1.33 1 158 ARG 3.39 3.74 1 159 LYS -2.26 -0.93 1 161 ILE 0.92 -0.24 1 162 ASP 3.02 3.14 1 163 TRP 2.42 -0.19 1 165 ALA -4.89 -1.05 1 166 ALA -0.98 -0.73 1 167 SER -2.74 -1.05 1 169 ALA 2.02 1.34 1 170 VAL -2.80 0.18 1 171 GLN -4.68 -0.20 1 172 SER -1.20 0.83 1 173 PHE -4.67 -0.85 1 174 ARG -4.76 -1.32 1 175 ARG -0.27 -1.30 1 176 ILE 3.72 1.14 1 177 VAL -2.05 -1.23 1 178 GLU -0.32 1.14 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17576_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.03 _LACS_plot.Line_1_terminator_val_y_1 4.73 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.14 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.90 _LACS_plot.Line_2_terminator_val_x_2 6.13 _LACS_plot.Line_2_terminator_val_y_2 -2.83 _LACS_plot.Y_axis_chem_shift_offset -0.07 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 55 PHE 2.98 -4.96 0 145 TYR 2.21 -5.06 0 10 PHE -3.86 2.79 1 11 TYR -1.99 0.89 1 12 GLU 0.58 1.83 1 13 ASP -4.36 2.78 1 14 LYS -0.16 0.85 1 15 ASN 3.50 -2.17 1 16 PHE 2.97 -4.72 1 17 GLN -4.72 2.58 1 19 ARG 1.81 0.31 1 20 ARG -6.94 4.03 1 21 TYR -3.61 3.79 1 22 ASP -4.27 2.81 1 24 ASP -2.09 0.57 1 26 ASP 2.58 -0.58 1 28 ALA 2.09 -0.33 1 29 ASP 0.77 -0.35 1 30 PHE 0.21 -2.03 1 31 HIS 5.67 -1.74 1 32 THR 3.50 -1.83 1 33 TYR -0.57 0.86 1 34 LEU -3.22 3.21 1 35 SER 1.10 0.62 1 36 ARG -1.37 0.16 1 38 ASN -4.53 4.78 1 39 SER 0.89 0.87 1 40 ILE -7.00 6.65 1 41 LYS -2.32 2.92 1 42 VAL 0.06 0.14 1 43 GLU -0.87 1.33 1 46 THR 0.42 0.02 1 47 TRP -3.99 2.84 1 48 ALA -3.78 1.74 1 49 VAL -4.13 1.07 1 50 TYR -2.57 1.44 1 51 GLU -2.00 3.65 1 52 ARG -1.15 0.67 1 54 ASN 3.56 -2.57 1 56 ALA -5.56 3.33 1 58 TYR 0.80 0.69 1 60 TYR -4.75 2.17 1 61 ILE 0.30 -2.45 1 62 LEU -3.19 3.18 1 64 GLN 2.04 -0.15 1 66 GLU -2.93 2.19 1 67 TYR -2.52 1.79 1 69 GLU -5.02 2.98 1 70 TYR 0.60 -0.33 1 71 GLN 6.14 -2.39 1 72 ARG 1.76 -1.42 1 73 TRP 1.20 -1.88 1 74 MET 4.62 -3.51 1 76 LEU 0.18 0.57 1 77 ASN -0.67 -1.17 1 78 ASP -0.12 -1.74 1 79 ARG -0.05 -0.40 1 80 LEU -5.91 5.72 1 81 SER -3.25 2.83 1 82 SER -1.27 2.08 1 84 ARG -4.23 3.39 1 85 ALA 0.74 -1.72 1 86 VAL 1.11 -1.13 1 87 HIS -0.36 -0.52 1 88 LEU -0.02 -0.55 1 90 SER 1.13 -0.33 1 93 GLN -1.50 0.81 1 94 TYR -3.56 2.09 1 95 LYS -0.15 2.01 1 96 ILE -5.88 4.08 1 97 GLN -3.84 1.73 1 98 ILE -3.27 1.89 1 99 PHE -2.73 1.86 1 100 GLU -1.79 3.24 1 101 LYS -4.70 2.61 1 103 ASP 3.89 -2.11 1 104 PHE 1.66 -4.17 1 105 SER -3.12 1.85 1 107 GLN 1.39 0.10 1 108 MET -4.91 2.46 1 109 TYR -3.60 3.23 1 110 GLU -6.84 4.16 1 111 THR -2.96 0.85 1 112 THR -1.19 0.49 1 113 GLU -6.01 3.86 1 114 ASP 1.70 -0.06 1 117 SER -0.10 -1.27 1 118 ILE 4.02 -0.21 1 119 MET 4.55 -1.41 1 120 GLU 2.46 -0.22 1 121 GLN 1.90 0.30 1 122 PHE -2.12 0.80 1 123 HIS 4.21 -2.97 1 124 MET -5.41 4.89 1 125 ARG -0.42 1.10 1 126 GLU -7.03 4.71 1 127 ILE -1.67 1.75 1 128 HIS -1.50 3.17 1 129 SER 0.41 0.98 1 133 LEU 2.43 -0.37 1 134 GLU -4.33 3.15 1 136 VAL -2.05 1.97 1 137 TRP -5.13 3.25 1 139 PHE -6.06 1.43 1 140 TYR -2.46 0.97 1 141 GLU -1.11 3.63 1 142 LEU -1.24 0.27 1 144 ASN 3.28 -2.21 1 146 ARG -5.52 3.25 1 148 ARG 1.80 -0.12 1 149 GLN -4.92 3.06 1 150 TYR -4.06 2.38 1 151 LEU -2.27 2.11 1 156 GLU 1.13 -0.41 1 157 TYR -4.95 3.62 1 158 ARG 3.39 0.35 1 159 LYS -2.26 1.33 1 161 ILE 0.92 -1.16 1 162 ASP 3.02 0.12 1 163 TRP 2.42 -2.61 1 165 ALA -4.89 3.84 1 166 ALA -0.98 0.25 1 167 SER -2.74 1.69 1 169 ALA 2.02 -0.68 1 170 VAL -2.80 2.98 1 171 GLN -4.68 4.48 1 172 SER -1.20 2.03 1 173 PHE -4.67 3.82 1 174 ARG -4.76 3.44 1 175 ARG -0.27 -1.03 1 176 ILE 3.72 -2.58 1 177 VAL -2.05 0.82 1 178 GLU -0.32 1.46 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17576_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.03 _LACS_plot.Line_1_terminator_val_y_1 0.85 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.21 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.25 _LACS_plot.Line_2_terminator_val_x_2 6.13 _LACS_plot.Line_2_terminator_val_y_2 -0.63 _LACS_plot.Y_axis_chem_shift_offset -0.03 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 70 TYR 0.60 -3.36 0 10 PHE -3.86 0.02 1 11 TYR -1.99 0.91 1 12 GLU 0.58 0.35 1 13 ASP -4.36 0.76 1 14 LYS -0.16 -0.45 1 15 ASN 3.50 -1.57 1 16 PHE 2.97 -1.77 1 17 GLN -4.72 0.29 1 19 ARG 1.81 -0.14 1 20 ARG -6.94 1.38 1 21 TYR -3.61 0.09 1 22 ASP -4.27 0.37 1 24 ASP -2.09 0.63 1 26 ASP 2.58 0.25 1 28 ALA 2.09 -0.66 1 29 ASP 0.77 0.24 1 30 PHE 0.21 0.44 1 31 HIS 5.67 0.14 1 32 THR 3.50 -0.69 1 33 TYR -0.57 -0.12 1 34 LEU -3.22 0.27 1 35 SER 1.10 0.03 1 36 ARG -1.37 0.45 1 38 ASN -4.53 0.55 1 39 SER 0.89 0.54 1 40 ILE -7.00 1.21 1 41 LYS -2.32 0.68 1 42 VAL 0.06 0.12 1 43 GLU -0.87 0.14 1 46 THR 0.42 0.52 1 47 TRP -3.99 0.17 1 48 ALA -3.78 0.86 1 49 VAL -4.13 1.23 1 50 TYR -2.57 1.04 1 51 GLU -2.00 0.40 1 52 ARG -1.15 -0.02 1 54 ASN 3.56 -1.51 1 55 PHE 2.98 -1.60 1 56 ALA -5.56 0.59 1 58 TYR 0.80 -0.33 1 60 TYR -4.75 0.09 1 61 ILE 0.30 0.81 1 62 LEU -3.19 0.37 1 64 GLN 2.04 -0.33 1 66 GLU -2.93 0.48 1 67 TYR -2.52 0.32 1 69 GLU -5.02 1.03 1 71 GLN 6.14 -0.52 1 72 ARG 1.76 0.04 1 73 TRP 1.20 0.66 1 74 MET 4.62 -0.46 1 76 LEU 0.18 -0.02 1 77 ASN -0.67 -1.14 1 78 ASP -0.12 -0.02 1 79 ARG -0.05 0.36 1 80 LEU -5.91 0.65 1 81 SER -3.25 -1.10 1 84 ARG -4.23 0.62 1 85 ALA 0.74 -1.10 1 86 VAL 1.11 -0.44 1 87 HIS -0.36 -0.07 1 88 LEU -0.02 -0.13 1 90 SER 1.13 -0.09 1 93 GLN -1.50 0.14 1 94 TYR -3.56 -0.05 1 95 LYS -0.15 0.69 1 96 ILE -5.88 0.32 1 97 GLN -3.84 0.82 1 98 ILE -3.27 0.59 1 99 PHE -2.73 0.87 1 100 GLU -1.79 0.01 1 101 LYS -4.70 0.18 1 103 ASP 3.89 -1.56 1 104 PHE 1.66 -2.04 1 105 SER -3.12 0.42 1 107 GLN 1.39 -0.47 1 108 MET -4.91 0.47 1 109 TYR -3.60 0.04 1 110 GLU -6.84 1.10 1 111 THR -2.96 0.89 1 112 THR -1.19 0.84 1 113 GLU -6.01 0.39 1 114 ASP 1.70 0.15 1 117 SER -0.10 0.44 1 118 ILE 4.02 -0.20 1 119 MET 4.55 -0.22 1 120 GLU 2.46 -0.46 1 121 GLN 1.90 -0.48 1 122 PHE -2.12 -0.25 1 123 HIS 4.21 0.10 1 124 MET -5.41 0.32 1 125 ARG -0.42 0.05 1 126 GLU -7.03 0.57 1 127 ILE -1.67 0.25 1 128 HIS -1.50 0.00 1 129 SER 0.41 0.17 1 133 LEU 2.43 -0.17 1 134 GLU -4.33 0.28 1 136 VAL -2.05 0.65 1 137 TRP -5.13 0.67 1 139 PHE -6.06 0.86 1 140 TYR -2.46 1.22 1 141 GLU -1.11 0.07 1 142 LEU -1.24 0.32 1 144 ASN 3.28 -1.58 1 145 TYR 2.21 -1.73 1 146 ARG -5.52 0.52 1 148 ARG 1.80 -0.26 1 149 GLN -4.92 0.55 1 150 TYR -4.06 0.39 1 151 LEU -2.27 0.24 1 156 GLU 1.13 -0.40 1 157 TYR -4.95 0.09 1 158 ARG 3.39 -0.96 1 159 LYS -2.26 0.67 1 161 ILE 0.92 0.02 1 162 ASP 3.02 -0.04 1 163 TRP 2.42 0.67 1 165 ALA -4.89 0.18 1 166 ALA -0.98 -0.11 1 167 SER -2.74 0.15 1 169 ALA 2.02 0.16 1 170 VAL -2.80 0.35 1 171 GLN -4.68 0.42 1 172 SER -1.20 0.09 1 173 PHE -4.67 1.75 1 174 ARG -4.76 0.92 1 175 ARG -0.27 -0.77 1 176 ILE 3.72 -0.12 1 177 VAL -2.05 0.08 1 178 GLU -0.32 -0.25 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17576_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.03 _LACS_plot.Line_1_terminator_val_y_1 -1.91 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.51 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.19 _LACS_plot.Line_2_terminator_val_x_2 6.13 _LACS_plot.Line_2_terminator_val_y_2 0.46 _LACS_plot.Y_axis_chem_shift_offset 0.80 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 133 LEU 2.43 -5.98 0 10 PHE -3.86 -1.55 1 11 TYR -1.99 2.16 1 12 GLU 0.58 0.12 1 13 ASP -4.36 -0.66 1 14 LYS -0.16 0.32 1 15 ASN 3.50 -1.65 1 16 PHE 2.97 -1.13 1 17 GLN -4.72 -1.60 1 19 ARG 1.81 -2.52 1 20 ARG -6.94 -0.73 1 21 TYR -3.61 -3.34 1 22 ASP -4.27 -2.48 1 24 ASP -2.09 -0.97 1 26 ASP 2.58 0.21 1 28 ALA 2.09 -1.62 1 29 ASP 0.77 -0.19 1 30 PHE 0.21 1.88 1 31 HIS 5.67 1.10 1 32 THR 3.50 -0.19 1 33 TYR -0.57 -1.04 1 34 LEU -3.22 -1.69 1 35 SER 1.10 -1.31 1 36 ARG -1.37 -3.32 1 38 ASN -4.53 -1.56 1 39 SER 0.89 -1.74 1 40 ILE -7.00 -0.32 1 41 LYS -2.32 -2.12 1 42 VAL 0.06 0.04 1 43 GLU -0.87 0.55 1 46 THR 0.42 -0.94 1 47 TRP -3.99 -2.67 1 48 ALA -3.78 -1.67 1 49 VAL -4.13 -2.65 1 50 TYR -2.57 0.51 1 51 GLU -2.00 -0.08 1 54 ASN 3.56 -1.35 1 55 PHE 2.98 -1.86 1 56 ALA -5.56 -1.74 1 60 TYR -4.75 -1.39 1 61 ILE 0.30 -0.46 1 64 GLN 2.04 -0.61 1 66 GLU -2.93 -0.84 1 69 GLU -5.02 0.89 1 70 TYR 0.60 2.45 1 71 GLN 6.14 3.98 1 72 ARG 1.76 1.07 1 73 TRP 1.20 -1.34 1 74 MET 4.62 -0.10 1 76 LEU 0.18 -0.69 1 77 ASN -0.67 -3.70 1 78 ASP -0.12 -0.69 1 79 ARG -0.05 -1.08 1 80 LEU -5.91 -1.55 1 81 SER -3.25 -3.49 1 82 SER -1.27 -0.59 1 84 ARG -4.23 -2.97 1 85 ALA 0.74 -0.93 1 86 VAL 1.11 -1.45 1 87 HIS -0.36 -0.35 1 90 SER 1.13 1.39 1 93 GLN -1.50 -1.73 1 95 LYS -0.15 -3.64 1 96 ILE -5.88 -1.06 1 98 ILE -3.27 -3.15 1 99 PHE -2.73 0.73 1 100 GLU -1.79 -0.40 1 101 LYS -4.70 -0.47 1 103 ASP 3.89 -2.39 1 104 PHE 1.66 -0.84 1 105 SER -3.12 -1.59 1 107 GLN 1.39 -2.59 1 108 MET -4.91 -0.84 1 109 TYR -3.60 -2.62 1 110 GLU -6.84 -1.39 1 111 THR -2.96 -3.34 1 112 THR -1.19 2.81 1 113 GLU -6.01 -1.73 1 114 ASP 1.70 -0.22 1 117 SER -0.10 0.56 1 118 ILE 4.02 2.18 1 119 MET 4.55 2.32 1 120 GLU 2.46 0.62 1 121 GLN 1.90 0.29 1 122 PHE -2.12 -1.63 1 123 HIS 4.21 -0.17 1 124 MET -5.41 -1.99 1 125 ARG -0.42 -0.89 1 126 GLU -7.03 -2.01 1 128 HIS -1.50 -0.67 1 129 SER 0.41 -1.29 1 137 TRP -5.13 -2.94 1 139 PHE -6.06 -1.11 1 140 TYR -2.46 1.24 1 141 GLU -1.11 -1.47 1 144 ASN 3.28 -2.05 1 145 TYR 2.21 -1.08 1 146 ARG -5.52 -1.61 1 149 GLN -4.92 -5.74 1 150 TYR -4.06 -1.78 1 151 LEU -2.27 -2.28 1 157 TYR -4.95 -1.14 1 158 ARG 3.39 0.24 1 161 ILE 0.92 2.10 1 162 ASP 3.02 2.25 1 163 TRP 2.42 -0.46 1 165 ALA -4.89 -1.56 1 166 ALA -0.98 -1.71 1 169 ALA 2.02 -1.78 1 170 VAL -2.80 -0.96 1 171 GLN -4.68 -0.84 1 172 SER -1.20 -1.98 1 173 PHE -4.67 -1.83 1 174 ARG -4.76 -2.73 1 175 ARG -0.27 1.11 1 177 VAL -2.05 -1.62 1 stop_ save_