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 bmr17745_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.90 _LACS_plot.Line_1_terminator_val_y_1 -2.48 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.83 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.33 _LACS_plot.Line_2_terminator_val_x_2 7.69 _LACS_plot.Line_2_terminator_val_y_2 6.03 _LACS_plot.Y_axis_chem_shift_offset -0.17 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 54 HIS -5.07 0.24 0 34 HIS -7.90 -2.08 0 129 ASP 1.70 -1.25 0 10 PHE -5.37 -2.53 1 11 TYR -1.29 0.51 1 12 THR -4.44 -2.44 1 13 ASP -3.37 -0.12 1 15 SER -2.89 -1.44 1 16 ALA -3.52 -0.42 1 17 ILE -2.09 -0.77 1 18 LYS 0.53 0.17 1 19 SER -1.88 -0.88 1 23 THR 1.30 1.08 1 24 LYS -1.85 -1.05 1 25 SER 0.92 1.04 1 26 ASN -2.39 0.18 1 27 ASN -2.12 0.43 1 28 ALA -6.07 -1.62 1 30 MET -4.90 -1.74 1 32 ILE -3.68 0.35 1 33 VAL -4.48 -0.86 1 35 ALA -7.53 -2.59 1 36 THR -2.93 -1.79 1 37 TYR -0.42 -0.42 1 38 LYS -2.34 -1.06 1 40 GLU -4.26 -2.12 1 41 TYR 1.45 1.01 1 42 GLN -4.08 -1.39 1 43 VAL 2.28 1.37 1 44 LEU 0.50 0.59 1 45 ASN -6.21 -1.03 1 46 GLN -3.46 -1.16 1 47 TRP -3.12 1.25 1 48 SER -1.99 -2.01 1 49 ILE -4.04 -0.98 1 51 LEU -4.75 -2.06 1 53 ASN 2.06 0.41 1 55 THR -2.99 -1.41 1 56 ALA 4.46 3.43 1 57 GLN 3.27 3.97 1 58 MET 3.20 3.61 1 59 ALA 3.00 2.74 1 60 GLU 2.73 2.94 1 61 ILE 3.89 3.37 1 62 ALA 3.28 2.68 1 63 ALA 2.24 2.65 1 64 VAL 6.26 5.02 1 65 GLU 5.96 4.44 1 66 PHE 3.95 3.49 1 67 ALA 1.37 2.31 1 69 LYS 4.24 2.80 1 70 LYS 1.78 0.54 1 71 ALA 1.93 1.29 1 72 LEU 2.39 1.97 1 73 LYS -0.27 -1.00 1 74 ILE -0.51 -0.21 1 78 VAL -6.33 -1.57 1 79 LEU -4.04 -2.56 1 80 VAL -1.27 -0.75 1 81 ILE -2.76 -2.91 1 82 THR -3.31 -3.15 1 83 ASP 0.09 0.20 1 84 SER -0.27 -1.76 1 85 PHE 4.63 4.22 1 86 TYR 2.86 3.08 1 87 VAL 5.84 4.49 1 88 ALA 3.61 3.47 1 90 SER 5.50 4.85 1 91 ALA 3.40 2.53 1 92 ASN 0.63 2.36 1 93 LYS 0.16 1.37 1 94 GLU 0.01 0.37 1 95 LEU 7.70 5.70 1 97 TYR 3.45 2.22 1 98 TRP 0.64 -0.03 1 99 LYS 3.50 2.66 1 100 SER 2.53 2.21 1 101 ASN -0.88 -0.27 1 103 PHE 5.45 2.10 1 104 VAL -2.34 -1.34 1 105 ASN -1.59 -1.29 1 108 LYS 6.83 2.88 1 111 LEU -0.87 -0.38 1 112 LYS -0.62 -0.16 1 113 HIS 1.45 1.06 1 114 ILE 6.21 4.99 1 115 SER 5.58 3.78 1 116 LYS 2.26 1.45 1 117 TRP 1.98 2.85 1 118 LYS 4.80 4.03 1 119 SER 2.61 1.83 1 120 ILE 6.44 6.20 1 121 ALA 4.08 3.24 1 122 GLU 3.57 3.08 1 124 LEU 3.08 1.85 1 125 SER 3.22 2.61 1 126 MET 1.20 2.21 1 127 LYS -1.22 0.12 1 130 ILE 1.09 1.43 1 131 THR -1.71 -0.20 1 132 ILE -1.09 -0.88 1 133 GLN -6.97 -1.56 1 134 HIS -3.35 0.37 1 135 GLU -1.79 -0.46 1 136 LYS 0.57 0.60 1 138 HIS -1.34 1.18 1 142 ASN 0.55 0.41 1 143 THR 0.71 0.51 1 145 ILE 2.39 1.81 1 146 HIS -0.82 1.79 1 147 THR 5.77 5.03 1 148 GLU 4.46 3.22 1 150 ASN 2.98 2.62 1 151 ALA 3.47 2.25 1 152 LEU 4.00 2.30 1 153 ALA 6.15 4.22 1 154 ASP 1.56 2.91 1 155 LYS 4.19 3.55 1 156 LEU 3.09 2.32 1 157 ALA 3.54 3.37 1 158 THR 5.31 4.18 1 159 GLN 4.12 3.17 1 161 SER 2.15 1.87 1 162 TYR 0.16 0.07 1 163 VAL 1.43 0.89 1 164 VAL 0.13 0.03 1 165 ASN -0.06 1.71 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17745_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.90 _LACS_plot.Line_1_terminator_val_y_1 5.42 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.17 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.67 _LACS_plot.Line_2_terminator_val_x_2 7.69 _LACS_plot.Line_2_terminator_val_y_2 -1.66 _LACS_plot.Y_axis_chem_shift_offset -0.17 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 54 HIS -5.07 5.31 0 34 HIS -7.90 5.82 0 129 ASP 1.70 -2.95 0 10 PHE -5.37 2.84 1 11 TYR -1.29 1.80 1 12 THR -4.44 2.00 1 13 ASP -3.37 3.25 1 15 SER -2.89 1.45 1 16 ALA -3.52 3.10 1 17 ILE -2.09 1.32 1 18 LYS 0.53 -0.36 1 19 SER -1.88 1.00 1 23 THR 1.30 -0.22 1 24 LYS -1.85 0.80 1 25 SER 0.92 0.12 1 26 ASN -2.39 2.57 1 27 ASN -2.12 2.55 1 28 ALA -6.07 4.45 1 30 MET -4.90 3.16 1 32 ILE -3.68 4.03 1 33 VAL -4.48 3.62 1 35 ALA -7.53 4.94 1 36 THR -2.93 1.14 1 37 TYR -0.42 0.00 1 38 LYS -2.34 1.28 1 40 GLU -4.26 2.14 1 41 TYR 1.45 -0.44 1 42 GLN -4.08 2.69 1 43 VAL 2.28 -0.91 1 44 LEU 0.50 0.09 1 45 ASN -6.21 5.18 1 46 GLN -3.46 2.30 1 47 TRP -3.12 4.37 1 48 SER -1.99 -0.02 1 49 ILE -4.04 3.06 1 51 LEU -4.75 2.69 1 53 ASN 2.06 -1.65 1 55 THR -2.99 1.58 1 56 ALA 4.46 -1.03 1 57 GLN 3.27 0.70 1 58 MET 3.20 0.41 1 59 ALA 3.00 -0.26 1 60 GLU 2.73 0.21 1 61 ILE 3.89 -0.52 1 62 ALA 3.28 -0.60 1 63 ALA 2.24 0.41 1 64 VAL 6.26 -1.24 1 65 GLU 5.96 -1.52 1 66 PHE 3.95 -0.46 1 67 ALA 1.37 0.94 1 69 LYS 4.24 -1.44 1 70 LYS 1.78 -1.24 1 71 ALA 1.93 -0.64 1 72 LEU 2.39 -0.42 1 73 LYS -0.27 -0.73 1 74 ILE -0.51 0.30 1 78 VAL -6.33 4.76 1 79 LEU -4.04 1.48 1 80 VAL -1.27 0.52 1 81 ILE -2.76 -0.15 1 82 THR -3.31 0.16 1 83 ASP 0.09 0.11 1 84 SER -0.27 -1.49 1 85 PHE 4.63 -0.41 1 86 TYR 2.86 0.22 1 87 VAL 5.84 -1.35 1 88 ALA 3.61 -0.14 1 90 SER 5.50 -0.65 1 91 ALA 3.40 -0.87 1 92 ASN 0.63 1.73 1 93 LYS 0.16 1.21 1 94 GLU 0.01 0.36 1 95 LEU 7.70 -2.00 1 97 TYR 3.45 -1.23 1 98 TRP 0.64 -0.67 1 99 LYS 3.50 -0.84 1 100 SER 2.53 -0.32 1 101 ASN -0.88 0.61 1 103 PHE 5.45 -3.35 1 104 VAL -2.34 1.00 1 105 ASN -1.59 0.30 1 108 LYS 6.83 -3.95 1 111 LEU -0.87 0.49 1 112 LYS -0.62 0.46 1 113 HIS 1.45 -0.39 1 114 ILE 6.21 -1.22 1 115 SER 5.58 -1.80 1 116 LYS 2.26 -0.81 1 117 TRP 1.98 0.87 1 118 LYS 4.80 -0.77 1 119 SER 2.61 -0.78 1 120 ILE 6.44 -0.24 1 121 ALA 4.08 -0.84 1 122 GLU 3.57 -0.49 1 124 LEU 3.08 -1.23 1 125 SER 3.22 -0.61 1 126 MET 1.20 1.01 1 127 LYS -1.22 1.34 1 130 ILE 1.09 0.34 1 131 THR -1.71 1.51 1 132 ILE -1.09 0.21 1 133 GLN -6.97 5.41 1 134 HIS -3.35 3.72 1 135 GLU -1.79 1.33 1 136 LYS 0.57 0.03 1 138 HIS -1.34 2.52 1 142 ASN 0.55 -0.14 1 143 THR 0.71 -0.20 1 145 ILE 2.39 -0.58 1 146 HIS -0.82 2.61 1 147 THR 5.77 -0.74 1 148 GLU 4.46 -1.24 1 150 ASN 2.98 -0.36 1 151 ALA 3.47 -1.22 1 152 LEU 4.00 -1.70 1 153 ALA 6.15 -1.93 1 154 ASP 1.56 1.35 1 155 LYS 4.19 -0.64 1 156 LEU 3.09 -0.77 1 157 ALA 3.54 -0.17 1 158 THR 5.31 -1.13 1 159 GLN 4.12 -0.95 1 161 SER 2.15 -0.28 1 162 TYR 0.16 -0.09 1 163 VAL 1.43 -0.54 1 164 VAL 0.13 -0.10 1 165 ASN -0.06 1.77 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17745_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.90 _LACS_plot.Line_1_terminator_val_y_1 0.91 _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 0.22 _LACS_plot.Line_2_terminator_val_x_2 7.69 _LACS_plot.Line_2_terminator_val_y_2 -0.80 _LACS_plot.Y_axis_chem_shift_offset -0.01 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 12 THR -4.44 1.46 0 45 ASN -6.21 -0.16 0 34 HIS -7.90 0.07 0 32 ILE -3.68 1.53 0 10 PHE -5.37 1.47 1 11 TYR -1.29 0.20 1 13 ASP -3.37 0.51 1 15 SER -2.89 0.25 1 16 ALA -3.52 0.77 1 17 ILE -2.09 0.17 1 18 LYS 0.53 0.11 1 19 SER -1.88 -0.04 1 23 THR 1.30 -0.01 1 24 LYS -1.85 0.26 1 25 SER 0.92 -0.05 1 26 ASN -2.39 0.32 1 27 ASN -2.12 0.28 1 28 ALA -6.07 1.04 1 30 MET -4.90 1.09 1 33 VAL -4.48 0.56 1 35 ALA -7.53 1.05 1 36 THR -2.93 0.31 1 37 TYR -0.42 -0.16 1 38 LYS -2.34 0.25 1 40 GLU -4.26 0.26 1 41 TYR 1.45 -0.58 1 42 GLN -4.08 -0.36 1 43 VAL 2.28 -0.55 1 44 LEU 0.50 -0.15 1 46 GLN -3.46 0.83 1 47 TRP -3.12 0.26 1 48 SER -1.99 0.48 1 49 ILE -4.04 0.44 1 51 LEU -4.75 0.19 1 53 ASN 2.06 0.15 1 54 HIS -5.07 0.17 1 55 THR -2.99 -0.04 1 56 ALA 4.46 -0.58 1 57 GLN 3.27 -0.27 1 58 MET 3.20 -1.01 1 59 ALA 3.00 -0.43 1 60 GLU 2.73 -0.60 1 61 ILE 3.89 -0.49 1 62 ALA 3.28 -0.46 1 63 ALA 2.24 0.08 1 64 VAL 6.26 -0.54 1 65 GLU 5.96 -0.84 1 66 PHE 3.95 -0.97 1 67 ALA 1.37 -1.14 1 69 LYS 4.24 -0.48 1 70 LYS 1.78 -0.56 1 71 ALA 1.93 -0.50 1 72 LEU 2.39 -0.39 1 73 LYS -0.27 0.02 1 74 ILE -0.51 -0.01 1 78 VAL -6.33 1.02 1 79 LEU -4.04 0.50 1 80 VAL -1.27 0.55 1 81 ILE -2.76 0.86 1 82 THR -3.31 0.66 1 83 ASP 0.09 0.40 1 84 SER -0.27 0.28 1 85 PHE 4.63 -1.01 1 86 TYR 2.86 -0.25 1 87 VAL 5.84 -0.55 1 88 ALA 3.61 0.09 1 90 SER 5.50 -0.57 1 91 ALA 3.40 -0.42 1 92 ASN 0.63 -0.14 1 93 LYS 0.16 0.06 1 94 GLU 0.01 -0.11 1 95 LEU 7.70 -1.00 1 97 TYR 3.45 -0.33 1 98 TRP 0.64 -0.23 1 99 LYS 3.50 -0.85 1 100 SER 2.53 -0.14 1 101 ASN -0.88 0.08 1 103 PHE 5.45 -1.11 1 104 VAL -2.34 0.25 1 105 ASN -1.59 0.01 1 108 LYS 6.83 -0.33 1 111 LEU -0.87 -0.26 1 112 LYS -0.62 -0.20 1 113 HIS 1.45 -0.26 1 114 ILE 6.21 -0.51 1 115 SER 5.58 -0.48 1 116 LYS 2.26 -0.25 1 117 TRP 1.98 0.21 1 118 LYS 4.80 -0.65 1 119 SER 2.61 -0.12 1 120 ILE 6.44 -0.67 1 121 ALA 4.08 -0.22 1 122 GLU 3.57 -0.19 1 124 LEU 3.08 -0.15 1 125 SER 3.22 -0.21 1 126 MET 1.20 -0.23 1 127 LYS -1.22 -0.03 1 129 ASP 1.70 0.06 1 130 ILE 1.09 0.59 1 131 THR -1.71 0.21 1 132 ILE -1.09 0.86 1 133 GLN -6.97 0.42 1 134 HIS -3.35 0.51 1 135 GLU -1.79 -0.13 1 136 LYS 0.57 -0.10 1 142 ASN 0.55 0.04 1 143 THR 0.71 -0.01 1 145 ILE 2.39 -0.07 1 146 HIS -0.82 0.05 1 147 THR 5.77 -0.47 1 148 GLU 4.46 -0.48 1 150 ASN 2.98 -0.10 1 151 ALA 3.47 -0.24 1 152 LEU 4.00 -0.03 1 153 ALA 6.15 -0.60 1 154 ASP 1.56 -0.01 1 155 LYS 4.19 -0.32 1 156 LEU 3.09 -0.28 1 157 ALA 3.54 -0.73 1 158 THR 5.31 -0.08 1 159 GLN 4.12 -0.39 1 161 SER 2.15 -0.45 1 162 TYR 0.16 -0.02 1 163 VAL 1.43 -0.09 1 164 VAL 0.13 0.04 1 165 ASN -0.06 -0.23 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17745_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.90 _LACS_plot.Line_1_terminator_val_y_1 -3.44 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.88 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.92 _LACS_plot.Line_2_terminator_val_x_2 6.83 _LACS_plot.Line_2_terminator_val_y_2 2.88 _LACS_plot.Y_axis_chem_shift_offset 0.02 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 103 PHE 5.45 -1.68 0 10 PHE -5.37 -0.86 1 11 TYR -1.29 0.13 1 12 THR -4.44 -1.64 1 13 ASP -3.37 -2.50 1 15 SER -2.89 -2.24 1 16 ALA -3.52 -1.46 1 17 ILE -2.09 -0.46 1 18 LYS 0.53 -0.18 1 23 THR 1.30 0.18 1 24 LYS -1.85 -0.53 1 25 SER 0.92 -0.28 1 26 ASN -2.39 -1.22 1 27 ASN -2.12 -1.72 1 28 ALA -6.07 -1.47 1 30 MET -4.90 -3.64 1 32 ILE -3.68 -2.40 1 33 VAL -4.48 -1.61 1 34 HIS -7.90 -1.42 1 35 ALA -7.53 -2.75 1 36 THR -2.93 -3.63 1 37 TYR -0.42 -1.13 1 40 GLU -4.26 -2.21 1 41 TYR 1.45 -0.45 1 42 GLN -4.08 -2.59 1 43 VAL 2.28 -0.20 1 44 LEU 0.50 -0.40 1 45 ASN -6.21 -2.89 1 46 GLN -3.46 -2.72 1 47 TRP -3.12 -2.31 1 48 SER -1.99 -0.22 1 51 LEU -4.75 -0.90 1 53 ASN 2.06 -0.86 1 54 HIS -5.07 -0.17 1 55 THR -2.99 0.59 1 56 ALA 4.46 1.20 1 57 GLN 3.27 2.64 1 58 MET 3.20 1.99 1 59 ALA 3.00 0.74 1 60 GLU 2.73 3.74 1 61 ILE 3.89 0.40 1 62 ALA 3.28 2.50 1 63 ALA 2.24 1.28 1 64 VAL 6.26 1.48 1 65 GLU 5.96 0.01 1 66 PHE 3.95 2.35 1 67 ALA 1.37 0.25 1 69 LYS 4.24 4.21 1 70 LYS 1.78 3.11 1 71 ALA 1.93 -0.17 1 72 LEU 2.39 1.06 1 73 LYS -0.27 -0.64 1 78 VAL -6.33 -3.67 1 79 LEU -4.04 -3.62 1 80 VAL -1.27 -2.79 1 81 ILE -2.76 -1.47 1 82 THR -3.31 -2.84 1 83 ASP 0.09 0.51 1 84 SER -0.27 0.41 1 85 PHE 4.63 0.71 1 86 TYR 2.86 2.69 1 87 VAL 5.84 0.98 1 90 SER 5.50 1.41 1 91 ALA 3.40 -0.85 1 92 ASN 0.63 1.14 1 93 LYS 0.16 0.48 1 94 GLU 0.01 -0.43 1 97 TYR 3.45 0.94 1 98 TRP 0.64 2.76 1 99 LYS 3.50 2.54 1 100 SER 2.53 0.42 1 101 ASN -0.88 0.55 1 104 VAL -2.34 -0.79 1 108 LYS 6.83 3.24 1 111 LEU -0.87 0.67 1 112 LYS -0.62 -0.81 1 113 HIS 1.45 3.09 1 114 ILE 6.21 -0.05 1 115 SER 5.58 3.19 1 116 LYS 2.26 2.05 1 117 TRP 1.98 2.98 1 118 LYS 4.80 2.45 1 119 SER 2.61 3.50 1 120 ILE 6.44 1.28 1 121 ALA 4.08 2.72 1 122 GLU 3.57 3.09 1 124 LEU 3.08 1.60 1 125 SER 3.22 1.40 1 126 MET 1.20 0.15 1 129 ASP 1.70 0.90 1 130 ILE 1.09 -0.79 1 131 THR -1.71 -2.22 1 132 ILE -1.09 -1.25 1 133 GLN -6.97 -2.98 1 134 HIS -3.35 1.65 1 135 GLU -1.79 -1.78 1 136 LYS 0.57 0.84 1 142 ASN 0.55 -0.02 1 145 ILE 2.39 -0.52 1 146 HIS -0.82 0.98 1 148 GLU 4.46 2.87 1 150 ASN 2.98 3.38 1 151 ALA 3.47 2.82 1 152 LEU 4.00 0.21 1 155 LYS 4.19 2.89 1 156 LEU 3.09 2.56 1 157 ALA 3.54 1.44 1 158 THR 5.31 2.60 1 159 GLN 4.12 2.86 1 161 SER 2.15 -0.80 1 162 TYR 0.16 0.09 1 163 VAL 1.43 -0.76 1 164 VAL 0.13 -1.19 1 stop_ save_