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 bmr25342_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.52 _LACS_plot.Line_1_terminator_val_y_1 -5.78 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.96 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -4.21 _LACS_plot.Line_2_terminator_val_x_2 8.30 _LACS_plot.Line_2_terminator_val_y_2 3.71 _LACS_plot.Y_axis_chem_shift_offset 2.72 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 44 ASP -7.27 -3.99 0 95 ILE 3.10 -3.92 0 10 TYR -4.66 -5.02 1 11 TYR -5.59 -3.85 1 12 SER -3.73 -4.68 1 13 TRP 2.58 0.62 1 14 SER -0.71 -4.47 1 16 GLU 3.65 0.16 1 17 THR 8.30 2.50 1 18 LYS 4.25 0.63 1 19 LYS 3.86 0.12 1 20 MET 3.08 -3.14 1 21 ALA 2.47 -0.13 1 22 GLU 3.41 -0.06 1 23 LYS 4.31 0.72 1 24 ILE 6.25 2.19 1 25 ASN -0.09 -0.89 1 26 SER 2.75 -0.39 1 27 GLU 0.93 -2.37 1 28 ILE -0.31 -3.37 1 29 LYS 2.84 -0.67 1 30 ASP 3.60 -0.76 1 31 SER -1.21 -2.75 1 32 GLU -5.45 -4.52 1 33 LEU -4.89 -3.66 1 34 LYS -4.97 -3.87 1 35 GLU -3.41 -3.99 1 36 VAL 0.76 -2.79 1 37 LYS -3.74 -3.92 1 38 VAL -5.30 -5.82 1 39 SER 1.24 -2.02 1 40 GLU 2.39 -0.79 1 42 THR 6.19 2.30 1 43 PHE -3.01 -5.23 1 45 ALA 1.81 -1.06 1 46 ASP -3.17 -3.04 1 47 MET 4.27 1.30 1 48 TYR 5.97 0.81 1 49 LYS 4.12 0.18 1 50 THR 7.73 3.83 1 51 SER 4.70 0.74 1 52 ASP 3.74 0.33 1 53 ILE 3.54 1.44 1 54 ALA 2.64 -0.48 1 55 LEU 4.20 0.23 1 56 ASP 3.15 0.35 1 57 GLN 4.34 -1.29 1 58 ILE 4.18 1.41 1 59 GLN 1.07 -1.72 1 61 ASN 1.01 -1.53 1 62 LYS -6.48 -4.90 1 63 ASP -0.16 -2.74 1 64 PHE 4.72 0.65 1 66 GLU -0.87 -3.07 1 67 ILE -5.05 -4.83 1 68 GLN -0.78 -3.39 1 69 LEU -3.64 -3.30 1 70 ASP -0.15 -2.52 1 71 ASN 2.23 -1.44 1 72 ILE -3.77 -3.81 1 73 ASP -0.79 -4.99 1 74 TYR 5.58 1.59 1 75 ASN 2.89 -0.48 1 76 ASN 1.07 -2.17 1 77 TYR -0.97 -2.66 1 78 ASP -0.94 -1.01 1 79 LEU -3.72 -3.84 1 80 ILE -2.89 -3.69 1 81 LEU -4.91 -5.59 1 82 ILE -3.22 -4.22 1 84 SER -6.05 -5.08 1 86 VAL 0.43 -2.39 1 87 TRP -4.32 -6.61 1 88 SER 3.08 -2.91 1 90 TYR -1.15 -2.25 1 92 ALA 0.50 -3.08 1 96 LYS 5.19 0.84 1 97 THR 5.15 0.91 1 98 LEU 3.08 0.41 1 99 LEU 3.59 0.05 1 100 ASP 3.85 0.11 1 101 GLN 2.79 -1.01 1 102 MET -0.41 -2.10 1 103 LYS 4.08 0.24 1 104 ASN 0.29 -2.83 1 105 TYR 0.50 -2.47 1 106 ARG -0.25 -3.02 1 108 GLU -3.35 -2.81 1 109 VAL -4.68 -4.92 1 110 ALA -4.37 -5.15 1 111 SER -5.10 -6.99 1 112 PHE -7.52 -7.33 1 113 PHE -6.59 -7.44 1 114 THR -4.31 -5.30 1 115 SER -3.66 -3.47 1 116 ALA -0.19 -3.30 1 118 THR -4.11 -4.44 1 119 ASN 3.75 -1.42 1 120 HIS 2.02 -0.48 1 121 LYS 5.26 1.10 1 122 ALA 2.57 -0.81 1 123 TYR 6.64 2.50 1 124 VAL 6.09 2.48 1 125 SER 4.89 0.70 1 126 HIS 3.72 0.71 1 127 PHE 6.72 3.17 1 128 ASN 3.93 1.20 1 129 GLU 2.83 0.13 1 130 TRP -0.20 -2.81 1 131 ALA -1.26 -4.07 1 132 ASP 1.76 -0.02 1 134 LEU -2.11 -4.14 1 135 ASN 1.24 -4.10 1 136 VAL -0.17 -3.82 1 137 ILE 0.48 -2.12 1 139 VAL -3.77 -3.93 1 140 ALA -5.56 -3.60 1 141 ARG -1.90 -4.12 1 142 ASP 3.56 -0.86 1 143 ASP -0.50 -5.29 1 144 SER 3.90 0.91 1 145 GLU -1.46 -4.56 1 146 VAL 5.58 1.73 1 147 ASP 3.91 0.04 1 148 LYS 3.10 -0.49 1 149 TRP -1.10 -3.76 1 150 SER 0.26 -1.60 1 151 LYS 0.98 -0.83 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25342_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.52 _LACS_plot.Line_1_terminator_val_y_1 1.74 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -3.96 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -2.21 _LACS_plot.Line_2_terminator_val_x_2 8.30 _LACS_plot.Line_2_terminator_val_y_2 -4.59 _LACS_plot.Y_axis_chem_shift_offset 2.72 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 44 ASP -7.27 3.28 0 95 ILE 3.10 -7.02 0 10 TYR -4.66 -0.36 1 11 TYR -5.59 1.74 1 12 SER -3.73 -0.95 1 13 TRP 2.58 -1.96 1 14 SER -0.71 -3.76 1 16 GLU 3.65 -3.49 1 17 THR 8.30 -5.80 1 18 LYS 4.25 -3.62 1 19 LYS 3.86 -3.74 1 20 MET 3.08 -6.22 1 21 ALA 2.47 -2.60 1 22 GLU 3.41 -3.47 1 23 LYS 4.31 -3.59 1 24 ILE 6.25 -4.06 1 25 ASN -0.09 -0.80 1 26 SER 2.75 -3.14 1 27 GLU 0.93 -3.30 1 28 ILE -0.31 -3.06 1 29 LYS 2.84 -3.51 1 30 ASP 3.60 -4.36 1 31 SER -1.21 -1.54 1 32 GLU -5.45 0.93 1 33 LEU -4.89 1.23 1 34 LYS -4.97 1.10 1 35 GLU -3.41 -0.58 1 36 VAL 0.76 -3.55 1 37 LYS -3.74 -0.18 1 38 VAL -5.30 -0.52 1 39 SER 1.24 -3.26 1 40 GLU 2.39 -3.18 1 42 THR 6.19 -3.89 1 43 PHE -3.01 -2.22 1 45 ALA 1.81 -2.87 1 46 ASP -3.17 0.13 1 47 MET 4.27 -2.97 1 48 TYR 5.97 -5.16 1 49 LYS 4.12 -3.94 1 50 THR 7.73 -3.90 1 51 SER 4.70 -3.96 1 52 ASP 3.74 -3.41 1 53 ILE 3.54 -2.10 1 54 ALA 2.64 -3.12 1 55 LEU 4.20 -3.97 1 56 ASP 3.15 -2.80 1 57 GLN 4.34 -5.63 1 58 ILE 4.18 -2.77 1 59 GLN 1.07 -2.79 1 61 ASN 1.01 -2.54 1 62 LYS -6.48 1.58 1 63 ASP -0.16 -2.58 1 64 PHE 4.72 -4.07 1 66 GLU -0.87 -2.20 1 67 ILE -5.05 0.22 1 68 GLN -0.78 -2.61 1 69 LEU -3.64 0.34 1 70 ASP -0.15 -2.37 1 71 ASN 2.23 -3.67 1 72 ILE -3.77 -0.04 1 73 ASP -0.79 -4.20 1 74 TYR 5.58 -3.99 1 75 ASN 2.89 -3.37 1 76 ASN 1.07 -3.24 1 77 TYR -0.97 -1.69 1 78 ASP -0.94 -0.07 1 79 LEU -3.72 -0.12 1 80 ILE -2.89 -0.80 1 81 LEU -4.91 -0.68 1 82 ILE -3.22 -1.00 1 84 SER -6.05 0.97 1 86 VAL 0.43 -2.82 1 87 TRP -4.32 -2.29 1 88 SER 3.08 -5.99 1 90 TYR -1.15 -1.10 1 92 ALA 0.50 -3.58 1 96 LYS 5.19 -4.35 1 97 THR 5.15 -4.24 1 98 LEU 3.08 -2.67 1 99 LEU 3.59 -3.54 1 100 ASP 3.85 -3.74 1 101 GLN 2.79 -3.80 1 102 MET -0.41 -1.69 1 103 LYS 4.08 -3.84 1 104 ASN 0.29 -3.12 1 105 TYR 0.50 -2.97 1 106 ARG -0.25 -2.77 1 108 GLU -3.35 0.54 1 109 VAL -4.68 -0.24 1 110 ALA -4.37 -0.78 1 111 SER -5.10 -1.89 1 112 PHE -7.52 0.19 1 113 PHE -6.59 -0.85 1 114 THR -4.31 -0.99 1 115 SER -3.66 0.19 1 116 ALA -0.19 -3.11 1 118 THR -4.11 -0.33 1 119 ASN 3.75 -5.17 1 120 HIS 2.02 -2.50 1 121 LYS 5.26 -4.16 1 122 ALA 2.57 -3.38 1 123 TYR 6.64 -4.14 1 124 VAL 6.09 -3.61 1 125 SER 4.89 -4.19 1 126 HIS 3.72 -3.01 1 127 PHE 6.72 -3.55 1 128 ASN 3.93 -2.73 1 129 GLU 2.83 -2.70 1 130 TRP -0.20 -2.61 1 131 ALA -1.26 -2.81 1 132 ASP 1.76 -1.78 1 134 LEU -2.11 -2.03 1 135 ASN 1.24 -5.34 1 136 VAL -0.17 -3.65 1 137 ILE 0.48 -2.60 1 139 VAL -3.77 -0.16 1 140 ALA -5.56 1.96 1 141 ARG -1.90 -2.22 1 142 ASP 3.56 -4.42 1 143 ASP -0.50 -4.79 1 144 SER 3.90 -2.99 1 145 GLU -1.46 -3.10 1 146 VAL 5.58 -3.85 1 147 ASP 3.91 -3.87 1 148 LYS 3.10 -3.59 1 149 TRP -1.10 -2.66 1 150 SER 0.26 -1.86 1 151 LYS 0.98 -1.81 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25342_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.52 _LACS_plot.Line_1_terminator_val_y_1 0.88 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.31 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.19 _LACS_plot.Line_2_terminator_val_x_2 8.30 _LACS_plot.Line_2_terminator_val_y_2 -1.10 _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 141 ARG -1.90 -1.85 0 10 TYR -4.66 0.96 1 11 TYR -5.59 0.21 1 12 SER -3.73 0.21 1 13 TRP 2.58 -0.02 1 14 SER -0.71 -0.25 1 16 GLU 3.65 -0.29 1 17 THR 8.30 -0.31 1 18 LYS 4.25 -1.46 1 19 LYS 3.86 -0.40 1 20 MET 3.08 -0.07 1 21 ALA 2.47 -0.84 1 22 GLU 3.41 -0.68 1 23 LYS 4.31 -0.50 1 24 ILE 6.25 -0.89 1 25 ASN -0.09 -0.51 1 26 SER 2.75 -0.32 1 27 GLU 0.93 -0.25 1 28 ILE -0.31 0.03 1 29 LYS 2.84 -0.32 1 30 ASP 3.60 -0.24 1 31 SER -1.21 0.31 1 32 GLU -5.45 0.39 1 33 LEU -4.89 0.97 1 34 LYS -4.97 0.28 1 35 GLU -3.41 -1.02 1 36 VAL 0.76 -0.28 1 37 LYS -3.74 0.64 1 38 VAL -5.30 0.70 1 39 SER 1.24 -0.29 1 40 GLU 2.39 -0.20 1 42 THR 6.19 -0.77 1 43 PHE -3.01 0.40 1 44 ASP -7.27 0.21 1 45 ALA 1.81 -0.11 1 46 ASP -3.17 0.19 1 47 MET 4.27 -1.02 1 48 TYR 5.97 -0.68 1 49 LYS 4.12 -0.21 1 50 THR 7.73 -0.76 1 51 SER 4.70 -0.50 1 52 ASP 3.74 -0.33 1 53 ILE 3.54 -0.45 1 54 ALA 2.64 0.00 1 55 LEU 4.20 -0.41 1 56 ASP 3.15 -0.17 1 57 GLN 4.34 -0.22 1 58 ILE 4.18 -0.59 1 59 GLN 1.07 -0.20 1 61 ASN 1.01 -0.20 1 62 LYS -6.48 0.01 1 63 ASP -0.16 -0.22 1 64 PHE 4.72 -1.07 1 66 GLU -0.87 -0.12 1 67 ILE -5.05 1.00 1 68 GLN -0.78 0.18 1 69 LEU -3.64 0.18 1 70 ASP -0.15 -0.23 1 71 ASN 2.23 -0.41 1 72 ILE -3.77 -0.24 1 73 ASP -0.79 -0.01 1 74 TYR 5.58 -0.68 1 75 ASN 2.89 0.18 1 76 ASN 1.07 -0.29 1 77 TYR -0.97 -0.20 1 78 ASP -0.94 0.16 1 79 LEU -3.72 0.77 1 80 ILE -2.89 0.90 1 81 LEU -4.91 0.78 1 82 ILE -3.22 0.68 1 84 SER -6.05 0.70 1 86 VAL 0.43 -0.30 1 87 TRP -4.32 -0.35 1 88 SER 3.08 0.11 1 90 TYR -1.15 -0.65 1 92 ALA 0.50 -0.70 1 95 ILE 3.10 -0.57 1 96 LYS 5.19 -1.23 1 97 THR 5.15 -0.91 1 98 LEU 3.08 -0.72 1 99 LEU 3.59 -0.67 1 100 ASP 3.85 -0.42 1 101 GLN 2.79 -0.14 1 102 MET -0.41 -0.62 1 103 LYS 4.08 -0.40 1 104 ASN 0.29 -0.01 1 105 TYR 0.50 0.01 1 106 ARG -0.25 -0.08 1 108 GLU -3.35 0.28 1 109 VAL -4.68 1.22 1 110 ALA -4.37 0.31 1 111 SER -5.10 1.09 1 112 PHE -7.52 1.74 1 113 PHE -6.59 1.48 1 114 THR -4.31 0.65 1 115 SER -3.66 1.14 1 116 ALA -0.19 0.67 1 118 THR -4.11 0.30 1 119 ASN 3.75 -0.12 1 120 HIS 2.02 -0.94 1 121 LYS 5.26 -0.49 1 122 ALA 2.57 -0.63 1 123 TYR 6.64 -1.40 1 124 VAL 6.09 -0.92 1 125 SER 4.89 -0.44 1 126 HIS 3.72 -0.60 1 127 PHE 6.72 -1.45 1 128 ASN 3.93 -0.70 1 129 GLU 2.83 -0.31 1 130 TRP -0.20 -0.20 1 131 ALA -1.26 -0.38 1 132 ASP 1.76 -0.43 1 134 LEU -2.11 0.13 1 135 ASN 1.24 -0.12 1 136 VAL -0.17 0.49 1 137 ILE 0.48 0.26 1 139 VAL -3.77 1.24 1 140 ALA -5.56 0.13 1 142 ASP 3.56 -0.92 1 143 ASP -0.50 -0.33 1 144 SER 3.90 -0.73 1 145 GLU -1.46 -0.04 1 146 VAL 5.58 -1.18 1 147 ASP 3.91 -0.59 1 148 LYS 3.10 -0.38 1 149 TRP -1.10 -0.07 1 150 SER 0.26 -0.24 1 151 LYS 0.98 -0.15 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25342_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.52 _LACS_plot.Line_1_terminator_val_y_1 -5.60 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -2.07 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -3.57 _LACS_plot.Line_2_terminator_val_x_2 8.30 _LACS_plot.Line_2_terminator_val_y_2 -0.09 _LACS_plot.Y_axis_chem_shift_offset 2.85 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 142 ASP 3.56 -7.01 0 10 TYR -4.66 -8.00 1 11 TYR -5.59 -6.20 1 12 SER -3.73 -4.53 1 13 TRP 2.58 -0.39 1 14 SER -0.71 -1.85 1 17 THR 8.30 -1.34 1 18 LYS 4.25 -2.70 1 20 MET 3.08 -2.68 1 21 ALA 2.47 -1.17 1 22 GLU 3.41 0.10 1 23 LYS 4.31 0.79 1 24 ILE 6.25 -1.47 1 25 ASN -0.09 -1.67 1 26 SER 2.75 -2.49 1 27 GLU 0.93 -2.93 1 28 ILE -0.31 -3.91 1 29 LYS 2.84 -2.21 1 30 ASP 3.60 -3.73 1 31 SER -1.21 -3.45 1 32 GLU -5.45 -5.41 1 33 LEU -4.89 -4.23 1 34 LYS -4.97 -6.98 1 35 GLU -3.41 -3.87 1 36 VAL 0.76 -4.82 1 37 LYS -3.74 -3.41 1 38 VAL -5.30 -2.70 1 39 SER 1.24 -1.06 1 40 GLU 2.39 -2.01 1 42 THR 6.19 -3.48 1 43 PHE -3.01 -5.66 1 45 ALA 1.81 -2.66 1 46 ASP -3.17 -1.29 1 47 MET 4.27 -2.70 1 53 ILE 3.54 -1.08 1 54 ALA 2.64 -0.33 1 55 LEU 4.20 -1.07 1 56 ASP 3.15 0.29 1 57 GLN 4.34 -0.31 1 58 ILE 4.18 -0.16 1 59 GLN 1.07 -2.22 1 61 ASN 1.01 -3.25 1 62 LYS -6.48 -4.83 1 63 ASP -0.16 -1.82 1 66 GLU -0.87 -2.62 1 67 ILE -5.05 -3.61 1 68 GLN -0.78 -4.44 1 69 LEU -3.64 -5.03 1 70 ASP -0.15 -4.32 1 71 ASN 2.23 -3.38 1 72 ILE -3.77 -4.79 1 73 ASP -0.79 -2.32 1 74 TYR 5.58 -2.32 1 75 ASN 2.89 -2.63 1 76 ASN 1.07 -4.04 1 77 TYR -0.97 -3.68 1 78 ASP -0.94 -3.68 1 79 LEU -3.72 -6.87 1 80 ILE -2.89 -4.82 1 81 LEU -4.91 -4.82 1 82 ILE -3.22 -3.60 1 86 VAL 0.43 -3.61 1 87 TRP -4.32 -2.78 1 88 SER 3.08 -2.50 1 92 ALA 0.50 -1.02 1 95 ILE 3.10 -2.10 1 96 LYS 5.19 -2.15 1 97 THR 5.15 -1.48 1 98 LEU 3.08 -2.89 1 99 LEU 3.59 -0.14 1 100 ASP 3.85 0.17 1 101 GLN 2.79 -1.49 1 102 MET -0.41 -3.48 1 103 LYS 4.08 -2.66 1 104 ASN 0.29 -2.58 1 108 GLU -3.35 -2.48 1 109 VAL -4.68 -5.69 1 110 ALA -4.37 -4.61 1 111 SER -5.10 -3.88 1 112 PHE -7.52 -6.26 1 113 PHE -6.59 -2.79 1 114 THR -4.31 -4.83 1 115 SER -3.66 -3.35 1 116 ALA -0.19 -1.62 1 118 THR -4.11 -2.63 1 119 ASN 3.75 -2.09 1 120 HIS 2.02 0.28 1 121 LYS 5.26 -0.04 1 122 ALA 2.57 -2.64 1 123 TYR 6.64 -1.56 1 124 VAL 6.09 -0.70 1 125 SER 4.89 0.25 1 126 HIS 3.72 -1.23 1 127 PHE 6.72 -2.42 1 128 ASN 3.93 0.03 1 129 GLU 2.83 0.45 1 130 TRP -0.20 -1.77 1 131 ALA -1.26 -5.31 1 132 ASP 1.76 -2.50 1 134 LEU -2.11 -3.52 1 135 ASN 1.24 -4.67 1 136 VAL -0.17 -0.88 1 137 ILE 0.48 -2.49 1 139 VAL -3.77 -3.97 1 140 ALA -5.56 -7.08 1 141 ARG -1.90 -2.92 1 143 ASP -0.50 -0.61 1 144 SER 3.90 -1.67 1 146 VAL 5.58 -1.71 1 147 ASP 3.91 -1.52 1 148 LYS 3.10 -0.22 1 149 TRP -1.10 -1.89 1 150 SER 0.26 -4.41 1 stop_ save_