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 bmr26780_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -9.55 _LACS_plot.Line_1_terminator_val_y_1 -3.14 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.29 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.57 _LACS_plot.Line_2_terminator_val_x_2 5.33 _LACS_plot.Line_2_terminator_val_y_2 3.76 _LACS_plot.Y_axis_chem_shift_offset 0.21 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 19 GLN 4.80 7.40 0 10 ILE -0.24 -0.18 1 11 ASP -0.53 -0.11 1 12 THR -2.22 -1.41 1 14 GLN -2.63 -0.60 1 15 GLN -4.01 -1.52 1 17 SER -3.00 -1.82 1 18 ILE -4.00 -1.70 1 20 ASP 2.26 1.94 1 21 ILE 0.12 -0.01 1 22 ASN 4.66 2.23 1 23 HIS -0.06 -0.05 1 24 ARG -3.77 -3.04 1 25 VAL -1.87 -1.97 1 26 TRP -5.52 -1.52 1 27 VAL -2.71 -1.51 1 28 LEU -2.90 -0.92 1 29 GLN 4.51 2.50 1 30 ASP 1.66 0.65 1 31 GLN -2.60 -0.70 1 32 THR -2.32 -1.11 1 33 LEU -4.21 -1.83 1 34 ILE -6.04 -2.78 1 35 ALA -4.26 -2.24 1 36 VAL 1.57 0.95 1 38 ARG -1.24 -0.37 1 39 LYS 1.93 1.63 1 40 ASP 3.35 0.79 1 41 ARG -1.44 -0.28 1 42 MET -0.84 -0.91 1 43 SER 0.36 0.00 1 45 VAL -0.27 -0.21 1 46 THR -3.32 -2.37 1 47 ILE -5.01 -2.85 1 48 ALA -4.88 -1.35 1 49 LEU -4.17 -0.20 1 50 ILE 1.64 1.02 1 51 SER 1.47 1.16 1 53 ARG -2.15 -0.98 1 54 HIS -0.42 -0.95 1 55 VAL 4.03 3.16 1 56 GLU 0.83 0.16 1 57 THR -1.59 -1.93 1 58 LEU -0.11 -0.22 1 59 GLU -0.08 0.34 1 60 LYS 0.50 -0.29 1 61 ASP -1.10 -1.38 1 62 ARG -1.65 -0.10 1 64 ASN -5.77 -1.71 1 66 ILE -1.83 -0.20 1 67 TYR -6.32 -0.98 1 68 LEU -0.50 -1.81 1 70 LEU 2.04 2.61 1 71 ASN -3.20 -1.33 1 73 LEU -3.38 -0.84 1 74 ASN -7.36 -1.90 1 75 LEU 0.68 1.49 1 77 LEU -3.93 -1.87 1 78 MET -5.18 -1.88 1 80 ALA 0.67 0.50 1 81 LYS 0.69 0.20 1 82 VAL 0.08 0.43 1 84 ASP -3.09 -1.02 1 85 GLN -3.41 -0.84 1 87 THR -2.38 -1.08 1 88 LEU -5.36 -1.82 1 89 GLN -2.81 -1.61 1 90 LEU -7.15 -3.55 1 91 LYS 1.51 0.19 1 92 GLU -1.67 -1.68 1 93 LYS -2.52 -1.97 1 94 ASP 4.04 3.75 1 95 ILE 4.58 -0.40 1 96 MET 3.43 2.63 1 97 ASP 5.33 2.21 1 98 LEU 2.36 2.94 1 99 TYR 0.77 0.80 1 100 ASN 2.04 1.26 1 101 GLN 2.77 3.85 1 103 GLU 2.79 -0.67 1 105 VAL 0.25 -0.13 1 106 LYS 5.29 3.78 1 107 SER -1.62 -0.14 1 108 PHE -4.23 -1.30 1 109 LEU -4.69 -1.51 1 110 PHE -0.55 -0.57 1 111 TYR -4.55 -0.44 1 112 HIS -2.05 -1.85 1 113 SER -3.79 -1.29 1 114 GLN -1.15 -1.98 1 115 SER 1.17 0.43 1 117 ARG -1.74 0.03 1 118 ASN -1.46 0.88 1 119 SER -4.91 -1.91 1 120 THR -4.83 -1.55 1 121 PHE -6.19 -3.06 1 122 GLU 1.65 1.21 1 123 SER 3.34 1.74 1 124 VAL 1.61 1.12 1 125 ALA -1.20 -1.85 1 126 PHE -0.58 -1.29 1 129 TRP -4.48 -1.42 1 130 PHE 4.33 3.33 1 131 ILE -9.55 -2.95 1 132 ALA -0.98 -0.57 1 133 VAL -0.16 -0.41 1 134 SER 1.05 1.05 1 135 SER -2.73 -1.05 1 136 GLU 0.40 -1.16 1 141 LEU -6.45 -1.51 1 142 ILE -5.33 -1.81 1 143 LEU -2.14 -1.23 1 144 THR -1.21 -0.93 1 145 GLN -1.89 -1.33 1 146 GLU -0.32 -0.53 1 147 LEU 0.37 -1.67 1 149 LYS 2.01 1.76 1 150 ALA -1.00 -1.01 1 151 ASN 2.19 2.12 1 152 THR -1.03 -0.85 1 153 THR -2.64 -0.08 1 154 ASP -3.77 -0.54 1 155 PHE -2.29 -1.14 1 157 LEU -0.48 -0.30 1 158 THR 1.16 -1.26 1 159 MET -0.30 -0.17 1 160 LEU 0.14 1.06 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26780_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -9.55 _LACS_plot.Line_1_terminator_val_y_1 6.41 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.71 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.43 _LACS_plot.Line_2_terminator_val_x_2 5.33 _LACS_plot.Line_2_terminator_val_y_2 -1.57 _LACS_plot.Y_axis_chem_shift_offset 0.21 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 19 GLN 4.80 2.60 0 10 ILE -0.24 0.06 1 11 ASP -0.53 0.42 1 12 THR -2.22 0.81 1 14 GLN -2.63 2.03 1 15 GLN -4.01 2.49 1 17 SER -3.00 1.18 1 18 ILE -4.00 2.30 1 20 ASP 2.26 -0.32 1 21 ILE 0.12 -0.13 1 22 ASN 4.66 -2.43 1 23 HIS -0.06 0.01 1 24 ARG -3.77 0.73 1 25 VAL -1.87 -0.10 1 26 TRP -5.52 4.00 1 27 VAL -2.71 1.20 1 28 LEU -2.90 1.98 1 29 GLN 4.51 -2.01 1 30 ASP 1.66 -1.01 1 31 GLN -2.60 1.90 1 32 THR -2.32 1.21 1 33 LEU -4.21 2.38 1 34 ILE -6.04 3.26 1 35 ALA -4.26 2.02 1 36 VAL 1.57 -0.62 1 38 ARG -1.24 0.87 1 39 LYS 1.93 -0.30 1 40 ASP 3.35 -2.56 1 41 ARG -1.44 1.16 1 42 MET -0.84 -0.07 1 43 SER 0.36 -0.36 1 45 VAL -0.27 0.06 1 46 THR -3.32 0.95 1 47 ILE -5.01 2.16 1 48 ALA -4.88 3.53 1 49 LEU -4.17 3.97 1 50 ILE 1.64 -0.62 1 51 SER 1.47 -0.31 1 53 ARG -2.15 1.17 1 54 HIS -0.42 -0.53 1 55 VAL 4.03 -0.87 1 56 GLU 0.83 -0.67 1 57 THR -1.59 -0.34 1 58 LEU -0.11 -0.11 1 59 GLU -0.08 0.42 1 60 LYS 0.50 -0.79 1 61 ASP -1.10 -0.28 1 62 ARG -1.65 1.55 1 64 ASN -5.77 4.06 1 66 ILE -1.83 1.63 1 67 TYR -6.32 5.34 1 68 LEU -0.50 -1.31 1 70 LEU 2.04 0.57 1 71 ASN -3.20 1.87 1 73 LEU -3.38 2.54 1 74 ASN -7.36 5.46 1 75 LEU 0.68 0.81 1 77 LEU -3.93 2.06 1 78 MET -5.18 3.30 1 80 ALA 0.67 -0.17 1 81 LYS 0.69 -0.49 1 82 VAL 0.08 0.35 1 84 ASP -3.09 2.07 1 85 GLN -3.41 2.57 1 87 THR -2.38 1.30 1 88 LEU -5.36 3.54 1 89 GLN -2.81 1.20 1 90 LEU -7.15 3.60 1 91 LYS 1.51 -1.32 1 92 GLU -1.67 -0.01 1 93 LYS -2.52 0.55 1 94 ASP 4.04 -0.29 1 95 ILE 4.58 -4.98 1 96 MET 3.43 -0.80 1 97 ASP 5.33 -3.12 1 98 LEU 2.36 0.58 1 99 TYR 0.77 0.03 1 100 ASN 2.04 -0.78 1 101 GLN 2.77 1.08 1 103 GLU 2.79 -3.46 1 105 VAL 0.25 -0.38 1 106 LYS 5.29 -1.51 1 107 SER -1.62 1.48 1 108 PHE -4.23 2.93 1 109 LEU -4.69 3.18 1 110 PHE -0.55 -0.02 1 111 TYR -4.55 4.11 1 112 HIS -2.05 0.20 1 113 SER -3.79 2.50 1 114 GLN -1.15 -0.83 1 115 SER 1.17 -0.74 1 117 ARG -1.74 1.77 1 118 ASN -1.46 2.34 1 119 SER -4.91 3.00 1 120 THR -4.83 3.28 1 121 PHE -6.19 3.13 1 122 GLU 1.65 -0.44 1 123 SER 3.34 -1.60 1 124 VAL 1.61 -0.49 1 125 ALA -1.20 -0.65 1 126 PHE -0.58 -0.71 1 129 TRP -4.48 3.06 1 130 PHE 4.33 -1.00 1 131 ILE -9.55 6.60 1 132 ALA -0.98 0.41 1 133 VAL -0.16 -0.25 1 134 SER 1.05 0.00 1 135 SER -2.73 1.68 1 136 GLU 0.40 -1.56 1 141 LEU -6.45 4.94 1 142 ILE -5.33 3.52 1 143 LEU -2.14 0.91 1 144 THR -1.21 0.28 1 145 GLN -1.89 0.56 1 146 GLU -0.32 -0.21 1 147 LEU 0.37 -2.04 1 149 LYS 2.01 -0.25 1 150 ALA -1.00 -0.01 1 151 ASN 2.19 -0.07 1 152 THR -1.03 0.18 1 153 THR -2.64 2.56 1 154 ASP -3.77 3.23 1 155 PHE -2.29 1.15 1 157 LEU -0.48 0.18 1 158 THR 1.16 -2.42 1 159 MET -0.30 0.13 1 160 LEU 0.14 0.92 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26780_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -9.55 _LACS_plot.Line_1_terminator_val_y_1 1.03 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.23 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.20 _LACS_plot.Line_2_terminator_val_x_2 5.33 _LACS_plot.Line_2_terminator_val_y_2 -0.59 _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 111 TYR -4.55 -0.75 0 10 ILE -0.24 -0.02 1 11 ASP -0.53 -0.15 1 12 THR -2.22 -0.07 1 14 GLN -2.63 0.02 1 15 GLN -4.01 1.03 1 17 SER -3.00 0.30 1 18 ILE -4.00 0.67 1 19 GLN 4.80 -0.06 1 20 ASP 2.26 -0.29 1 21 ILE 0.12 -0.12 1 22 ASN 4.66 -0.65 1 23 HIS -0.06 0.26 1 24 ARG -3.77 0.66 1 25 VAL -1.87 0.82 1 26 TRP -5.52 0.20 1 27 VAL -2.71 0.31 1 28 LEU -2.90 0.03 1 29 GLN 4.51 -0.62 1 30 ASP 1.66 -0.44 1 31 GLN -2.60 0.03 1 32 THR -2.32 0.49 1 33 LEU -4.21 0.49 1 34 ILE -6.04 1.27 1 35 ALA -4.26 0.35 1 36 VAL 1.57 -0.25 1 38 ARG -1.24 0.01 1 39 LYS 1.93 -0.31 1 40 ASP 3.35 -0.33 1 41 ARG -1.44 -0.05 1 42 MET -0.84 -0.01 1 43 SER 0.36 0.48 1 45 VAL -0.27 0.11 1 46 THR -3.32 0.62 1 47 ILE -5.01 0.84 1 48 ALA -4.88 1.09 1 49 LEU -4.17 0.32 1 50 ILE 1.64 0.17 1 51 SER 1.47 -0.30 1 53 ARG -2.15 0.13 1 54 HIS -0.42 0.18 1 55 VAL 4.03 -0.31 1 56 GLU 0.83 -0.01 1 57 THR -1.59 0.25 1 58 LEU -0.11 -0.14 1 59 GLU -0.08 0.10 1 60 LYS 0.50 -0.14 1 61 ASP -1.10 -0.06 1 62 ARG -1.65 -0.71 1 64 ASN -5.77 0.87 1 66 ILE -1.83 0.65 1 67 TYR -6.32 0.77 1 68 LEU -0.50 0.50 1 70 LEU 2.04 -0.55 1 71 ASN -3.20 0.14 1 73 LEU -3.38 -0.31 1 74 ASN -7.36 0.95 1 75 LEU 0.68 0.22 1 77 LEU -3.93 0.06 1 78 MET -5.18 0.06 1 80 ALA 0.67 -0.45 1 81 LYS 0.69 -0.25 1 82 VAL 0.08 -0.22 1 84 ASP -3.09 -0.23 1 85 GLN -3.41 0.06 1 87 THR -2.38 0.41 1 88 LEU -5.36 0.20 1 89 GLN -2.81 0.50 1 90 LEU -7.15 0.28 1 91 LYS 1.51 0.41 1 92 GLU -1.67 -0.33 1 93 LYS -2.52 -0.09 1 94 ASP 4.04 -0.57 1 95 ILE 4.58 0.06 1 96 MET 3.43 -0.33 1 97 ASP 5.33 -0.86 1 98 LEU 2.36 -0.46 1 99 TYR 0.77 -0.41 1 100 ASN 2.04 -0.46 1 101 GLN 2.77 -0.24 1 103 GLU 2.79 0.05 1 105 VAL 0.25 0.16 1 106 LYS 5.29 -0.75 1 107 SER -1.62 0.29 1 108 PHE -4.23 0.38 1 109 LEU -4.69 0.44 1 110 PHE -0.55 -0.08 1 112 HIS -2.05 0.15 1 113 SER -3.79 0.78 1 114 GLN -1.15 -0.05 1 115 SER 1.17 -0.13 1 117 ARG -1.74 0.26 1 118 ASN -1.46 0.96 1 119 SER -4.91 0.50 1 120 THR -4.83 0.88 1 121 PHE -6.19 0.20 1 122 GLU 1.65 -0.16 1 123 SER 3.34 -0.71 1 124 VAL 1.61 -0.87 1 125 ALA -1.20 -0.23 1 126 PHE -0.58 0.09 1 129 TRP -4.48 0.98 1 130 PHE 4.33 0.17 1 131 ILE -9.55 1.22 1 132 ALA -0.98 -0.12 1 133 VAL -0.16 -0.06 1 134 SER 1.05 -0.13 1 135 SER -2.73 0.01 1 136 GLU 0.40 0.43 1 141 LEU -6.45 0.67 1 142 ILE -5.33 1.31 1 143 LEU -2.14 0.58 1 144 THR -1.21 0.46 1 145 GLN -1.89 -0.12 1 146 GLU -0.32 -0.18 1 147 LEU 0.37 0.05 1 149 LYS 2.01 -0.30 1 150 ALA -1.00 0.33 1 151 ASN 2.19 -0.34 1 152 THR -1.03 0.33 1 153 THR -2.64 0.14 1 154 ASP -3.77 0.24 1 155 PHE -2.29 0.45 1 157 LEU -0.48 -0.02 1 158 THR 1.16 0.25 1 159 MET -0.30 -0.15 1 160 LEU 0.14 -0.31 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26780_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -9.55 _LACS_plot.Line_1_terminator_val_y_1 -2.49 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.26 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.13 _LACS_plot.Line_2_terminator_val_x_2 5.33 _LACS_plot.Line_2_terminator_val_y_2 0.56 _LACS_plot.Y_axis_chem_shift_offset 0.66 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 130 PHE -4.48 1.37 0 38 ARG 1.57 -3.39 0 132 ALA -9.55 -2.16 0 97 ASP 3.43 2.98 0 10 ILE -0.24 -0.85 1 11 ASP -0.53 -2.29 1 14 GLN -2.63 -1.11 1 15 GLN -4.01 -0.05 1 17 SER -3.00 -1.83 1 19 GLN 4.80 0.90 1 21 ILE 2.26 -0.89 1 22 ASN 0.12 -1.01 1 23 HIS 4.66 -0.10 1 24 ARG -0.06 0.32 1 25 VAL -3.77 -1.47 1 26 TRP -1.87 -0.22 1 27 VAL -5.52 -3.30 1 28 LEU -2.71 -1.79 1 29 GLN -2.90 -1.25 1 31 GLN 1.66 -2.15 1 32 THR -2.60 -2.59 1 33 LEU -2.32 -2.03 1 34 ILE -4.21 -3.56 1 35 ALA -6.04 -0.97 1 39 LYS -1.24 -0.79 1 40 ASP 1.93 -0.14 1 41 ARG 3.35 -0.96 1 42 MET -1.44 -0.80 1 45 VAL 0.36 -0.86 1 46 THR -0.27 -0.19 1 47 ILE -3.32 -2.14 1 48 ALA -5.01 -3.19 1 49 LEU -4.88 -2.20 1 50 ILE -4.17 -4.07 1 51 SER 1.64 -1.61 1 53 ARG 1.47 -0.31 1 54 HIS -2.15 1.51 1 55 VAL -0.42 1.66 1 56 GLU 4.03 1.47 1 57 THR 0.83 -0.48 1 58 LEU -1.59 -1.13 1 59 GLU -0.11 1.62 1 60 LYS -0.08 0.74 1 61 ASP 0.50 -0.03 1 62 ARG -1.10 -1.69 1 66 ILE -5.77 0.73 1 67 TYR -1.83 -1.42 1 68 LEU -6.32 -3.09 1 70 LEU -0.50 -0.21 1 71 ASN 2.04 0.91 1 73 LEU -3.20 -1.25 1 75 LEU -7.36 -0.84 1 77 LEU 0.68 -3.13 1 78 MET -3.93 -4.24 1 80 ALA -5.18 -2.41 1 81 LYS 0.67 -0.85 1 82 VAL 0.69 0.66 1 84 ASP 0.08 -0.95 1 87 THR -3.41 -2.74 1 88 LEU -2.38 -1.79 1 89 GLN -5.36 -2.59 1 90 LEU -2.81 -1.02 1 91 LYS -7.15 -1.27 1 92 GLU 1.51 -1.44 1 93 LYS -1.67 -4.02 1 94 ASP -2.52 1.35 1 95 ILE 4.04 -0.58 1 96 MET 4.58 -0.10 1 98 LEU 5.33 1.39 1 99 TYR 2.36 1.29 1 100 ASN 0.77 0.45 1 105 VAL 2.79 0.76 1 107 SER 5.29 -0.49 1 108 PHE -1.62 -2.19 1 109 LEU -4.23 -1.26 1 110 PHE -4.69 -0.81 1 111 TYR -0.55 0.29 1 112 HIS -4.55 0.78 1 113 SER -2.05 -2.06 1 114 GLN -3.79 -0.82 1 115 SER -1.15 0.67 1 117 ARG 1.17 0.17 1 119 SER -1.46 -2.05 1 120 THR -4.91 -0.98 1 121 PHE -4.83 -2.68 1 122 GLU -6.19 -0.07 1 123 SER 1.65 -0.38 1 124 VAL 3.34 1.20 1 125 ALA 1.61 -1.39 1 129 TRP -0.58 -1.47 1 131 ILE 4.33 -1.22 1 133 VAL -0.98 0.77 1 134 SER -0.16 0.35 1 135 SER 1.05 0.57 1 136 GLU -2.73 0.29 1 141 LEU 0.40 -0.26 1 142 ILE -6.45 -1.81 1 143 LEU -5.33 -0.19 1 144 THR -2.14 -3.50 1 145 GLN -1.21 0.10 1 146 GLU -1.89 -1.85 1 147 LEU -0.32 0.73 1 149 LYS 0.37 -0.64 1 150 ALA 2.01 0.14 1 151 ASN -1.00 -0.85 1 152 THR 2.19 -0.78 1 153 THR -1.03 -2.46 1 154 ASP -2.64 -2.04 1 155 PHE -3.77 -1.12 1 157 LEU -2.29 -1.27 1 158 THR -0.48 -1.08 1 159 MET 1.16 0.06 1 160 LEU -0.30 -1.88 1 stop_ save_