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 bmr17363_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -4.60 _LACS_plot.Line_1_terminator_val_y_1 -2.23 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 1.08 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.38 _LACS_plot.Line_2_terminator_val_x_2 7.19 _LACS_plot.Line_2_terminator_val_y_2 5.34 _LACS_plot.Y_axis_chem_shift_offset -0.08 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 77 TYR 3.60 0.61 0 44 THR -4.60 -2.33 0 10 GLU 2.88 2.35 1 11 MET 5.07 4.18 1 12 ASP 4.36 3.40 1 13 SER 4.46 3.10 1 14 ALA 3.60 2.59 1 15 LEU 4.00 3.08 1 16 SER 4.49 3.38 1 17 VAL 6.27 4.64 1 18 VAL 7.10 5.67 1 19 GLN 4.81 3.39 1 20 ASN 4.05 3.30 1 21 LEU 2.40 2.56 1 22 GLU 4.31 3.78 1 23 LYS 4.65 3.36 1 24 ASP 4.41 3.29 1 25 LEU 3.48 1.84 1 26 GLN 5.34 3.66 1 27 GLU 3.46 2.68 1 28 ILE 4.69 3.40 1 29 LYS 4.35 3.98 1 30 ALA 3.99 2.62 1 31 ALA 3.81 2.46 1 32 ALA 4.23 2.00 1 33 ARG 4.07 3.01 1 34 ASP -0.40 -0.04 1 36 LYS -1.91 -1.14 1 37 LEU 0.24 -0.30 1 38 LYS -2.49 -1.56 1 40 LEU 1.07 -0.31 1 43 GLU 1.00 0.46 1 45 MET 4.48 2.61 1 46 GLU 4.38 3.56 1 47 LYS 3.09 3.30 1 49 THR 6.43 5.15 1 50 GLN 4.37 3.36 1 51 ASP 3.98 2.94 1 52 LEU 5.39 4.67 1 54 ASN 4.26 2.80 1 55 SER 5.58 4.34 1 56 THR 6.54 4.92 1 57 LYS 4.05 3.08 1 58 ALA 4.06 2.71 1 59 VAL 7.04 5.08 1 61 SER 4.31 3.27 1 62 ALA 3.17 2.58 1 63 ILE 5.92 4.94 1 65 LYS 3.92 3.12 1 66 LEU 4.27 3.92 1 67 LEU 4.92 3.75 1 70 ILE 4.94 3.13 1 74 ASN 4.06 2.82 1 75 GLU 3.46 3.44 1 76 ASN 4.25 2.83 1 78 ALA 3.87 3.03 1 80 ILE 4.35 3.21 1 81 ALA 4.58 2.62 1 82 ALA 4.48 3.29 1 83 ARG 4.87 3.75 1 84 ASP 4.19 3.00 1 85 VAL 6.91 5.36 1 86 ALA 4.45 3.31 1 89 LEU 3.97 1.97 1 90 ARG 5.69 4.30 1 91 SER 4.96 3.67 1 92 LEU 4.75 4.98 1 93 ALA 4.07 3.29 1 94 GLN 4.11 3.12 1 95 ALA 3.58 2.75 1 96 ALA 4.52 2.78 1 97 ARG 6.10 4.13 1 99 VAL 5.77 4.61 1 100 ALA 3.97 2.91 1 101 ALA 2.68 1.70 1 102 LEU -1.92 -0.29 1 103 THR 1.29 0.81 1 104 SER 0.73 0.61 1 105 ASP -2.46 -1.10 1 107 ALA 3.16 2.25 1 108 VAL 4.36 3.10 1 109 GLN 3.57 4.60 1 110 ALA 3.55 2.61 1 111 ILE 3.66 3.23 1 112 VAL 5.71 4.44 1 113 LEU 3.49 2.38 1 114 ASP 4.35 3.32 1 115 THR 5.53 4.20 1 116 ALA 5.17 3.29 1 118 ASP 3.13 3.34 1 119 VAL 6.67 4.73 1 120 LEU 4.41 3.19 1 121 ASP 2.08 3.27 1 122 LYS 3.82 2.24 1 123 ALA 2.60 2.48 1 124 SER 5.24 4.15 1 125 SER 4.82 3.51 1 126 LEU 4.57 3.27 1 127 ILE 6.15 4.04 1 128 GLU 3.91 3.68 1 129 GLU 2.73 1.83 1 130 ALA 4.13 2.80 1 131 LYS 4.75 3.85 1 132 LYS 3.67 3.12 1 133 ALA 1.77 1.93 1 134 SER 3.28 2.70 1 136 HIS -0.17 0.21 1 139 ASP -2.27 -0.79 1 141 GLU 3.50 2.73 1 142 SER 4.53 3.67 1 143 GLN 4.77 3.15 1 144 GLN 4.14 3.05 1 145 ARG 4.16 3.57 1 146 LEU 3.57 2.76 1 147 ALA 4.20 2.77 1 148 GLN 4.41 3.28 1 149 VAL 4.98 3.43 1 150 ALA 3.96 3.65 1 151 LYS 4.16 3.10 1 152 ALA 3.84 2.52 1 153 VAL 6.30 4.37 1 154 THR 7.19 5.59 1 155 GLN 4.49 3.42 1 156 ALA 4.06 2.68 1 157 LEU 3.75 3.16 1 158 ASN 3.80 2.78 1 159 ARG 4.03 3.15 1 161 VAL 3.46 2.57 1 162 SER 2.75 2.35 1 164 LEU 0.96 -0.04 1 167 GLN -0.10 0.05 1 168 ARG 0.78 1.34 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17363_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -4.60 _LACS_plot.Line_1_terminator_val_y_1 2.37 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -0.91 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.62 _LACS_plot.Line_2_terminator_val_x_2 7.19 _LACS_plot.Line_2_terminator_val_y_2 -1.85 _LACS_plot.Y_axis_chem_shift_offset -0.08 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 77 TYR 3.60 -2.99 0 44 THR -4.60 2.27 0 10 GLU 2.88 -0.53 1 11 MET 5.07 -0.89 1 12 ASP 4.36 -0.96 1 13 SER 4.46 -1.36 1 14 ALA 3.60 -1.01 1 15 LEU 4.00 -0.92 1 16 SER 4.49 -1.11 1 17 VAL 6.27 -1.63 1 18 VAL 7.10 -1.43 1 19 GLN 4.81 -1.42 1 20 ASN 4.05 -0.75 1 21 LEU 2.40 0.16 1 22 GLU 4.31 -0.53 1 23 LYS 4.65 -1.29 1 24 ASP 4.41 -1.12 1 25 LEU 3.48 -1.64 1 26 GLN 5.34 -1.68 1 27 GLU 3.46 -0.78 1 28 ILE 4.69 -1.29 1 29 LYS 4.35 -0.37 1 30 ALA 3.99 -1.37 1 31 ALA 3.81 -1.35 1 32 ALA 4.23 -2.23 1 33 ARG 4.07 -1.06 1 34 ASP -0.40 0.36 1 36 LYS -1.91 0.77 1 37 LEU 0.24 -0.54 1 38 LYS -2.49 0.93 1 40 LEU 1.07 -1.38 1 43 GLU 1.00 -0.54 1 45 MET 4.48 -1.87 1 46 GLU 4.38 -0.82 1 47 LYS 3.09 0.21 1 49 THR 6.43 -1.28 1 50 GLN 4.37 -1.01 1 51 ASP 3.98 -1.04 1 52 LEU 5.39 -0.72 1 54 ASN 4.26 -1.46 1 55 SER 5.58 -1.24 1 56 THR 6.54 -1.62 1 57 LYS 4.05 -0.97 1 58 ALA 4.06 -1.35 1 59 VAL 7.04 -1.96 1 61 SER 4.31 -1.04 1 62 ALA 3.17 -0.59 1 63 ILE 5.92 -0.98 1 65 LYS 3.92 -0.80 1 66 LEU 4.27 -0.35 1 67 LEU 4.92 -1.17 1 70 ILE 4.94 -1.81 1 74 ASN 4.06 -1.24 1 75 GLU 3.46 -0.02 1 76 ASN 4.25 -1.42 1 78 ALA 3.87 -0.84 1 80 ILE 4.35 -1.14 1 81 ALA 4.58 -1.96 1 82 ALA 4.48 -1.19 1 83 ARG 4.87 -1.12 1 84 ASP 4.19 -1.19 1 85 VAL 6.91 -1.55 1 86 ALA 4.45 -1.14 1 89 LEU 3.97 -2.00 1 90 ARG 5.69 -1.39 1 91 SER 4.96 -1.29 1 92 LEU 4.75 0.23 1 93 ALA 4.07 -0.78 1 94 GLN 4.11 -0.99 1 95 ALA 3.58 -0.83 1 96 ALA 4.52 -1.74 1 97 ARG 6.10 -1.97 1 99 VAL 5.77 -1.16 1 100 ALA 3.97 -1.06 1 101 ALA 2.68 -0.98 1 102 LEU -1.92 1.63 1 103 THR 1.29 -0.48 1 104 SER 0.73 -0.12 1 105 ASP -2.46 1.36 1 107 ALA 3.16 -0.91 1 108 VAL 4.36 -1.26 1 109 GLN 3.57 1.03 1 110 ALA 3.55 -0.94 1 111 ILE 3.66 -0.43 1 112 VAL 5.71 -1.27 1 113 LEU 3.49 -1.11 1 114 ASP 4.35 -1.03 1 115 THR 5.53 -1.33 1 116 ALA 5.17 -1.88 1 118 ASP 3.13 0.21 1 119 VAL 6.67 -1.94 1 120 LEU 4.41 -1.22 1 121 ASP 2.08 1.19 1 122 LYS 3.82 -1.58 1 123 ALA 2.60 -0.12 1 124 SER 5.24 -1.09 1 125 SER 4.82 -1.31 1 126 LEU 4.57 -1.30 1 127 ILE 6.15 -2.11 1 128 GLU 3.91 -0.23 1 129 GLU 2.73 -0.90 1 130 ALA 4.13 -1.33 1 131 LYS 4.75 -0.90 1 132 LYS 3.67 -0.55 1 133 ALA 1.77 0.16 1 134 SER 3.28 -0.58 1 136 HIS -0.17 0.38 1 139 ASP -2.27 1.48 1 141 GLU 3.50 -0.77 1 142 SER 4.53 -0.86 1 143 GLN 4.77 -1.62 1 144 GLN 4.14 -1.09 1 145 ARG 4.16 -0.59 1 146 LEU 3.57 -0.81 1 147 ALA 4.20 -1.43 1 148 GLN 4.41 -1.13 1 149 VAL 4.98 -1.55 1 150 ALA 3.96 -0.31 1 151 LYS 4.16 -1.06 1 152 ALA 3.84 -1.32 1 153 VAL 6.30 -1.93 1 154 THR 7.19 -1.60 1 155 GLN 4.49 -1.07 1 156 ALA 4.06 -1.38 1 157 LEU 3.75 -0.59 1 158 ASN 3.80 -1.02 1 159 ARG 4.03 -0.88 1 161 VAL 3.46 -0.89 1 162 SER 2.75 -0.40 1 164 LEU 0.96 -1.00 1 167 GLN -0.10 0.15 1 168 ARG 0.78 0.56 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17363_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -4.60 _LACS_plot.Line_1_terminator_val_y_1 0.18 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -0.22 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.06 _LACS_plot.Line_2_terminator_val_x_2 7.19 _LACS_plot.Line_2_terminator_val_y_2 -0.57 _LACS_plot.Y_axis_chem_shift_offset 0.09 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 109 GLN 3.57 -0.88 0 44 THR -4.60 0.10 0 10 GLU 2.88 -0.33 1 11 MET 5.07 -0.53 1 12 ASP 4.36 -0.27 1 13 SER 4.46 -0.30 1 14 ALA 3.60 -0.37 1 15 LEU 4.00 -0.44 1 16 SER 4.49 -0.28 1 17 VAL 6.27 -0.50 1 18 VAL 7.10 -0.69 1 19 GLN 4.81 -0.19 1 20 ASN 4.05 -0.25 1 21 LEU 2.40 -0.19 1 22 GLU 4.31 -0.51 1 23 LYS 4.65 -0.34 1 24 ASP 4.41 -0.33 1 25 LEU 3.48 -0.30 1 26 GLN 5.34 -0.37 1 27 GLU 3.46 -0.25 1 28 ILE 4.69 -0.46 1 29 LYS 4.35 -0.55 1 30 ALA 3.99 -0.38 1 31 ALA 3.81 -0.31 1 32 ALA 4.23 -0.30 1 33 ARG 4.07 -0.32 1 34 ASP -0.40 0.08 1 36 LYS -1.91 0.04 1 37 LEU 0.24 -0.07 1 38 LYS -2.49 0.23 1 40 LEU 1.07 -0.18 1 43 GLU 1.00 -0.11 1 45 MET 4.48 -0.33 1 46 GLU 4.38 -0.47 1 47 LYS 3.09 -0.32 1 49 THR 6.43 -0.63 1 50 GLN 4.37 -0.31 1 51 ASP 3.98 -0.26 1 52 LEU 5.39 -0.51 1 54 ASN 4.26 -0.26 1 55 SER 5.58 -0.10 1 56 THR 6.54 -0.48 1 57 LYS 4.05 -0.25 1 58 ALA 4.06 -0.21 1 59 VAL 7.04 -0.60 1 61 SER 4.31 -0.27 1 62 ALA 3.17 -0.10 1 63 ILE 5.92 -0.79 1 65 LYS 3.92 -0.26 1 66 LEU 4.27 -0.61 1 67 LEU 4.92 -0.58 1 70 ILE 4.94 -0.44 1 74 ASN 4.06 -0.28 1 75 GLU 3.46 -0.53 1 76 ASN 4.25 -0.34 1 77 TYR 3.60 -0.14 1 78 ALA 3.87 -0.36 1 80 ILE 4.35 -0.63 1 81 ALA 4.58 -0.12 1 82 ALA 4.48 -0.56 1 83 ARG 4.87 -0.44 1 84 ASP 4.19 -0.14 1 85 VAL 6.91 -0.71 1 86 ALA 4.45 -0.54 1 89 LEU 3.97 -0.29 1 90 ARG 5.69 -0.37 1 91 SER 4.96 -0.31 1 92 LEU 4.75 -0.38 1 93 ALA 4.07 -0.59 1 94 GLN 4.11 -0.41 1 95 ALA 3.58 0.00 1 96 ALA 4.52 -0.64 1 97 ARG 6.10 -0.77 1 99 VAL 5.77 -0.64 1 100 ALA 3.97 -0.55 1 101 ALA 2.68 -0.55 1 102 LEU -1.92 -0.11 1 103 THR 1.29 -0.13 1 104 SER 0.73 -0.13 1 105 ASP -2.46 0.03 1 107 ALA 3.16 -0.13 1 108 VAL 4.36 -0.47 1 110 ALA 3.55 -0.10 1 111 ILE 3.66 -0.16 1 112 VAL 5.71 -0.41 1 113 LEU 3.49 -0.35 1 114 ASP 4.35 -0.27 1 115 THR 5.53 -0.32 1 116 ALA 5.17 -0.36 1 118 ASP 3.13 -0.13 1 119 VAL 6.67 -0.81 1 120 LEU 4.41 -0.53 1 121 ASP 2.08 -0.36 1 122 LYS 3.82 -0.33 1 123 ALA 2.60 -0.40 1 124 SER 5.24 -0.48 1 125 SER 4.82 -0.23 1 126 LEU 4.57 -0.40 1 127 ILE 6.15 -0.67 1 128 GLU 3.91 -0.39 1 129 GLU 2.73 -0.33 1 130 ALA 4.13 -0.44 1 131 LYS 4.75 -0.45 1 132 LYS 3.67 -0.30 1 133 ALA 1.77 -0.25 1 134 SER 3.28 -0.42 1 136 HIS -0.17 -0.02 1 139 ASP -2.27 0.02 1 141 GLU 3.50 -0.30 1 142 SER 4.53 -0.35 1 143 GLN 4.77 -0.44 1 144 GLN 4.14 -0.28 1 145 ARG 4.16 -0.35 1 146 LEU 3.57 -0.47 1 147 ALA 4.20 -0.42 1 148 GLN 4.41 -0.34 1 149 VAL 4.98 -0.21 1 150 ALA 3.96 -0.41 1 151 LYS 4.16 -0.29 1 152 ALA 3.84 -0.13 1 153 VAL 6.30 -0.60 1 154 THR 7.19 -0.57 1 155 GLN 4.49 -0.29 1 156 ALA 4.06 -0.20 1 157 LEU 3.75 -0.52 1 158 ASN 3.80 -0.33 1 159 ARG 4.03 -0.27 1 161 VAL 3.46 -0.32 1 162 SER 2.75 -0.20 1 164 LEU 0.96 -0.38 1 167 GLN -0.10 -0.08 1 168 ARG 0.78 -0.22 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17363_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -4.60 _LACS_plot.Line_1_terminator_val_y_1 -1.60 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 1.12 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.07 _LACS_plot.Line_2_terminator_val_x_2 7.19 _LACS_plot.Line_2_terminator_val_y_2 2.72 _LACS_plot.Y_axis_chem_shift_offset -0.47 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 44 THR -4.60 -0.25 0 10 GLU 2.88 3.55 1 11 MET 5.07 1.05 1 12 ASP 4.36 3.15 1 13 SER 4.46 1.89 1 14 ALA 3.60 1.10 1 15 LEU 4.00 0.74 1 16 SER 4.49 2.55 1 17 VAL 6.27 2.58 1 18 VAL 7.10 1.23 1 19 GLN 4.81 3.96 1 20 ASN 4.05 2.63 1 21 LEU 2.40 1.67 1 22 GLU 4.31 2.64 1 23 LYS 4.65 2.94 1 24 ASP 4.41 3.17 1 25 LEU 3.48 1.65 1 26 GLN 5.34 3.58 1 27 GLU 3.46 3.11 1 28 ILE 4.69 1.26 1 29 LYS 4.35 2.58 1 30 ALA 3.99 1.42 1 31 ALA 3.81 2.41 1 32 ALA 4.23 3.22 1 33 ARG 4.07 1.56 1 34 ASP -0.40 0.02 1 36 LYS -1.91 -0.77 1 37 LEU 0.24 -2.84 1 43 GLU 1.00 -0.41 1 45 MET 4.48 2.71 1 46 GLU 4.38 1.52 1 47 LYS 3.09 2.03 1 49 THR 6.43 2.83 1 50 GLN 4.37 2.52 1 51 ASP 3.98 3.53 1 52 LEU 5.39 2.51 1 54 ASN 4.26 3.89 1 55 SER 5.58 1.76 1 56 THR 6.54 2.30 1 57 LYS 4.05 2.33 1 59 VAL 7.04 1.16 1 62 ALA 3.17 1.42 1 63 ILE 5.92 0.50 1 67 LEU 4.92 -1.47 1 77 TYR 3.60 3.25 1 78 ALA 3.87 0.79 1 80 ILE 4.35 1.21 1 81 ALA 4.58 1.90 1 82 ALA 4.48 0.82 1 83 ARG 4.87 3.24 1 84 ASP 4.19 3.94 1 85 VAL 6.91 0.61 1 86 ALA 4.45 1.22 1 89 LEU 3.97 0.84 1 90 ARG 5.69 2.94 1 91 SER 4.96 2.15 1 92 LEU 4.75 0.45 1 93 ALA 4.07 1.51 1 94 GLN 4.11 2.78 1 95 ALA 3.58 1.32 1 96 ALA 4.52 0.84 1 97 ARG 6.10 1.15 1 99 VAL 5.77 2.90 1 100 ALA 3.97 1.26 1 101 ALA 2.68 0.34 1 102 LEU -1.92 -0.76 1 103 THR 1.29 -1.30 1 104 SER 0.73 -0.53 1 107 ALA 3.16 2.96 1 108 VAL 4.36 1.07 1 109 GLN 3.57 0.75 1 110 ALA 3.55 1.64 1 111 ILE 3.66 2.65 1 112 VAL 5.71 1.10 1 113 LEU 3.49 1.52 1 114 ASP 4.35 3.68 1 115 THR 5.53 3.54 1 116 ALA 5.17 1.09 1 118 ASP 3.13 1.89 1 119 VAL 6.67 1.05 1 120 LEU 4.41 0.44 1 121 ASP 2.08 2.85 1 122 LYS 3.82 2.77 1 123 ALA 2.60 1.21 1 124 SER 5.24 1.71 1 125 SER 4.82 1.73 1 126 LEU 4.57 -0.33 1 127 ILE 6.15 1.12 1 128 GLU 3.91 3.31 1 129 GLU 2.73 2.21 1 130 ALA 4.13 1.46 1 131 LYS 4.75 2.93 1 132 LYS 3.67 2.36 1 133 ALA 1.77 1.98 1 134 SER 3.28 0.74 1 141 GLU 3.50 2.68 1 142 SER 4.53 2.18 1 144 GLN 4.14 2.59 1 145 ARG 4.16 2.86 1 146 LEU 3.57 0.04 1 148 GLN 4.41 3.47 1 149 VAL 4.98 2.44 1 151 LYS 4.16 1.92 1 152 ALA 3.84 3.80 1 153 VAL 6.30 1.19 1 154 THR 7.19 2.45 1 155 GLN 4.49 2.58 1 156 ALA 4.06 2.74 1 157 LEU 3.75 1.08 1 158 ASN 3.80 3.33 1 159 ARG 4.03 1.80 1 161 VAL 3.46 1.86 1 162 SER 2.75 0.18 1 167 GLN -0.10 -0.89 1 stop_ save_