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 bmr25839_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.16 _LACS_plot.Line_1_terminator_val_y_1 -2.69 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.06 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.46 _LACS_plot.Line_2_terminator_val_x_2 7.04 _LACS_plot.Line_2_terminator_val_y_2 5.54 _LACS_plot.Y_axis_chem_shift_offset -0.12 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 80 ILE 1.53 -1.72 0 34 HIS 1.85 4.86 0 10 ALA -1.75 -0.51 1 12 GLU -0.26 -0.09 1 13 LYS 1.00 -0.35 1 14 LEU -2.16 -0.92 1 15 TRP -0.98 -1.32 1 16 ASP -1.54 -0.09 1 17 ALA 0.85 0.96 1 18 VAL 1.25 1.04 1 19 THR 0.87 0.83 1 21 GLN 0.48 0.26 1 22 HIS -0.70 1.25 1 23 ASP -0.63 -0.39 1 24 LYS 3.71 2.29 1 25 ASP 2.52 2.13 1 26 ASP 1.38 2.07 1 27 GLN 5.34 3.98 1 28 ALA 4.45 3.65 1 29 LYS 4.22 3.40 1 30 LYS 3.52 3.33 1 31 VAL 7.04 5.27 1 32 GLN 5.28 4.56 1 33 GLU 3.19 2.90 1 35 LEU 4.16 3.33 1 36 ASN 3.40 3.23 1 37 LYS 3.68 3.10 1 38 THR 2.41 2.06 1 40 ILE 1.01 -1.41 1 42 ASP 4.11 2.40 1 43 ALA 2.35 2.31 1 44 ASP 1.80 0.15 1 45 LYS -0.37 -0.06 1 46 VAL -5.21 -3.71 1 47 ASN -3.74 -0.84 1 48 ILE -2.47 -0.87 1 49 GLN -4.54 -1.23 1 50 ILE -3.16 -1.60 1 51 ALA -2.16 -0.23 1 52 ASP 2.06 1.06 1 54 LYS -2.20 -1.65 1 55 ALA -5.61 -2.80 1 56 THR 0.94 1.33 1 57 VAL -1.71 -1.29 1 58 THR -3.08 -1.80 1 60 ASP -3.31 -0.39 1 62 LEU -1.86 -0.14 1 63 SER -2.26 -1.16 1 64 GLN 5.36 3.63 1 65 GLU 3.13 3.37 1 66 ALA 2.88 2.77 1 67 LYS 5.02 3.76 1 68 GLU 2.88 3.88 1 69 LYS 4.66 4.53 1 70 ILE 5.63 5.15 1 71 LEU 4.31 3.92 1 72 VAL 4.81 3.33 1 73 ALA 2.73 2.55 1 74 VAL 4.65 3.01 1 76 ASN 0.88 -1.11 1 77 ILE -1.92 -0.70 1 78 SER 2.33 1.25 1 81 ALA -3.57 -0.86 1 82 SER -3.04 -0.86 1 83 VAL -4.53 -1.53 1 84 ASP -1.55 -1.00 1 85 ASP -1.57 -0.04 1 86 GLN 0.09 -1.59 1 87 VAL 1.12 -0.02 1 88 LYS -0.76 -0.44 1 89 THR -3.98 -2.28 1 90 ALA 1.41 1.55 1 91 THR -1.79 -0.99 1 93 ALA -3.68 -0.67 1 94 THR 1.21 1.03 1 95 ALA -1.40 -0.65 1 96 SER 1.35 0.74 1 97 GLN -0.91 -0.29 1 98 PHE -2.67 -3.18 1 99 TYR -4.77 -0.50 1 100 THR 1.25 0.16 1 101 VAL 3.40 2.08 1 102 LYS -3.53 -2.12 1 103 SER 3.61 2.33 1 105 ASP 1.40 2.17 1 106 THR -5.25 -2.73 1 107 LEU 4.64 3.55 1 108 SER 5.22 3.94 1 109 ALA 3.05 2.74 1 110 ILE 5.22 4.31 1 111 SER 3.22 3.60 1 112 LYS 4.49 3.54 1 113 GLN 3.74 3.50 1 114 VAL 2.70 1.71 1 115 TYR -3.92 -2.24 1 117 ASN -2.25 -0.79 1 118 ALA 1.14 1.78 1 119 ASN 2.36 1.50 1 120 LEU 1.24 0.00 1 121 TYR 4.32 2.81 1 122 ASN 4.25 3.08 1 123 LYS 3.82 2.83 1 124 ILE 5.10 4.56 1 125 PHE 3.13 2.05 1 126 GLU 3.45 2.91 1 127 ALA 0.56 0.72 1 128 ASN -3.10 -0.05 1 129 LYS 1.71 2.01 1 131 MET 5.39 4.85 1 132 LEU -2.73 -1.57 1 133 LYS 0.47 1.07 1 134 SER -1.44 -0.60 1 136 ASP 0.35 -0.35 1 137 LYS 0.75 -0.89 1 138 ILE -1.06 -0.18 1 139 TYR -2.37 -2.65 1 142 GLN 0.64 0.74 1 143 VAL -0.14 -0.55 1 144 LEU -6.16 -2.75 1 145 ARG -1.75 0.02 1 146 ILE -0.73 -2.85 1 148 GLU -0.25 0.45 1 149 GLU -1.18 -0.36 1 150 LEU -0.19 0.04 1 151 GLU -0.19 0.20 1 152 HIS -0.18 1.31 1 156 HIS -0.50 1.18 1 157 HIS 0.70 2.60 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25839_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.16 _LACS_plot.Line_1_terminator_val_y_1 3.47 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.94 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.54 _LACS_plot.Line_2_terminator_val_x_2 7.04 _LACS_plot.Line_2_terminator_val_y_2 -1.50 _LACS_plot.Y_axis_chem_shift_offset -0.12 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 80 ILE 1.53 -3.25 0 34 HIS 1.85 3.01 0 10 ALA -1.75 1.24 1 12 GLU -0.26 0.17 1 13 LYS 1.00 -1.35 1 14 LEU -2.16 1.24 1 15 TRP -0.98 -0.34 1 16 ASP -1.54 1.45 1 17 ALA 0.85 0.11 1 18 VAL 1.25 -0.21 1 19 THR 0.87 -0.04 1 21 GLN 0.48 -0.22 1 22 HIS -0.70 1.95 1 23 ASP -0.63 0.24 1 24 LYS 3.71 -1.42 1 25 ASP 2.52 -0.39 1 26 ASP 1.38 0.69 1 27 GLN 5.34 -1.36 1 28 ALA 4.45 -0.80 1 29 LYS 4.22 -0.82 1 30 LYS 3.52 -0.19 1 31 VAL 7.04 -1.77 1 32 GLN 5.28 -0.72 1 33 GLU 3.19 -0.29 1 35 LEU 4.16 -0.83 1 36 ASN 3.40 -0.17 1 37 LYS 3.68 -0.58 1 38 THR 2.41 -0.35 1 40 ILE 1.01 -2.42 1 42 ASP 4.11 -1.71 1 43 ALA 2.35 -0.04 1 44 ASP 1.80 -1.65 1 45 LYS -0.37 0.31 1 46 VAL -5.21 1.50 1 47 ASN -3.74 2.90 1 48 ILE -2.47 1.60 1 49 GLN -4.54 3.31 1 50 ILE -3.16 1.56 1 51 ALA -2.16 1.93 1 52 ASP 2.06 -1.00 1 54 LYS -2.20 0.55 1 55 ALA -5.61 2.81 1 56 THR 0.94 0.39 1 57 VAL -1.71 0.42 1 58 THR -3.08 1.28 1 60 ASP -3.31 2.92 1 62 LEU -1.86 1.72 1 63 SER -2.26 1.10 1 64 GLN 5.36 -1.73 1 65 GLU 3.13 0.24 1 66 ALA 2.88 -0.11 1 67 LYS 5.02 -1.26 1 68 GLU 2.88 1.00 1 69 LYS 4.66 -0.13 1 70 ILE 5.63 -0.48 1 71 LEU 4.31 -0.39 1 72 VAL 4.81 -1.48 1 73 ALA 2.73 -0.18 1 74 VAL 4.65 -1.64 1 76 ASN 0.88 -1.99 1 77 ILE -1.92 1.22 1 78 SER 2.33 -1.08 1 81 ALA -3.57 2.71 1 82 SER -3.04 2.18 1 83 VAL -4.53 3.00 1 84 ASP -1.55 0.55 1 85 ASP -1.57 1.53 1 86 GLN 0.09 -1.68 1 87 VAL 1.12 -1.14 1 88 LYS -0.76 0.32 1 89 THR -3.98 1.70 1 90 ALA 1.41 0.14 1 91 THR -1.79 0.80 1 93 ALA -3.68 3.01 1 94 THR 1.21 -0.18 1 95 ALA -1.40 0.75 1 96 SER 1.35 -0.61 1 97 GLN -0.91 0.62 1 98 PHE -2.67 -0.51 1 99 TYR -4.77 4.27 1 100 THR 1.25 -1.09 1 101 VAL 3.40 -1.32 1 102 LYS -3.53 1.41 1 103 SER 3.61 -1.28 1 105 ASP 1.40 0.77 1 106 THR -5.25 2.52 1 107 LEU 4.64 -1.09 1 108 SER 5.22 -1.28 1 109 ALA 3.05 -0.31 1 110 ILE 5.22 -0.91 1 111 SER 3.22 0.38 1 112 LYS 4.49 -0.95 1 113 GLN 3.74 -0.24 1 114 VAL 2.70 -0.99 1 115 TYR -3.92 1.68 1 117 ASN -2.25 1.46 1 118 ALA 1.14 0.64 1 119 ASN 2.36 -0.86 1 120 LEU 1.24 -1.24 1 121 TYR 4.32 -1.51 1 122 ASN 4.25 -1.17 1 123 LYS 3.82 -0.99 1 124 ILE 5.10 -0.54 1 125 PHE 3.13 -1.08 1 126 GLU 3.45 -0.54 1 127 ALA 0.56 0.16 1 128 ASN -3.10 3.05 1 129 LYS 1.71 0.30 1 131 MET 5.39 -0.54 1 132 LEU -2.73 1.16 1 133 LYS 0.47 0.60 1 134 SER -1.44 0.84 1 136 ASP 0.35 -0.70 1 137 LYS 0.75 -1.64 1 138 ILE -1.06 0.88 1 139 TYR -2.37 -0.28 1 142 GLN 0.64 0.10 1 143 VAL -0.14 -0.41 1 144 LEU -6.16 3.41 1 145 ARG -1.75 1.77 1 146 ILE -0.73 -2.12 1 148 GLU -0.25 0.70 1 149 GLU -1.18 0.82 1 150 LEU -0.19 0.23 1 151 GLU -0.19 0.39 1 152 HIS -0.18 1.49 1 156 HIS -0.50 1.68 1 157 HIS 0.70 1.90 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25839_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.16 _LACS_plot.Line_1_terminator_val_y_1 0.71 _LACS_plot.Line_1_terminator_val_x_2 2.00 _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 0.24 _LACS_plot.Line_2_terminator_val_x_2 7.04 _LACS_plot.Line_2_terminator_val_y_2 -0.79 _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 143 VAL -0.14 0.90 0 138 ILE -1.06 1.06 0 82 SER -3.04 1.25 0 10 ALA -1.75 0.08 1 12 GLU -0.26 -0.59 1 13 LYS 1.00 -0.22 1 14 LEU -2.16 -0.03 1 15 TRP -0.98 0.11 1 16 ASP -1.54 0.05 1 17 ALA 0.85 0.05 1 18 VAL 1.25 0.00 1 19 THR 0.87 -0.06 1 21 GLN 0.48 -0.14 1 22 HIS -0.70 -0.21 1 23 ASP -0.63 -0.04 1 24 LYS 3.71 -0.26 1 25 ASP 2.52 -0.04 1 26 ASP 1.38 -0.18 1 27 GLN 5.34 -0.94 1 28 ALA 4.45 -0.56 1 29 LYS 4.22 -0.21 1 30 LYS 3.52 -0.12 1 31 VAL 7.04 -0.56 1 32 GLN 5.28 -0.57 1 33 GLU 3.19 -0.22 1 34 HIS 1.85 -0.23 1 35 LEU 4.16 -0.77 1 36 ASN 3.40 -0.34 1 37 LYS 3.68 -0.32 1 38 THR 2.41 -0.40 1 40 ILE 1.01 -0.64 1 42 ASP 4.11 -0.42 1 43 ALA 2.35 -0.56 1 44 ASP 1.80 -0.18 1 45 LYS -0.37 0.05 1 46 VAL -5.21 1.12 1 47 ASN -3.74 0.34 1 48 ILE -2.47 0.72 1 49 GLN -4.54 0.34 1 50 ILE -3.16 0.72 1 51 ALA -2.16 0.20 1 52 ASP 2.06 -0.34 1 54 LYS -2.20 0.90 1 55 ALA -5.61 1.22 1 56 THR 0.94 0.60 1 57 VAL -1.71 0.77 1 58 THR -3.08 0.34 1 60 ASP -3.31 0.71 1 62 LEU -1.86 0.21 1 63 SER -2.26 0.20 1 64 GLN 5.36 -0.57 1 65 GLU 3.13 -0.56 1 66 ALA 2.88 -0.34 1 67 LYS 5.02 -0.70 1 68 GLU 2.88 -0.58 1 69 LYS 4.66 -0.38 1 70 ILE 5.63 -0.72 1 71 LEU 4.31 -0.67 1 72 VAL 4.81 -0.47 1 73 ALA 2.73 -0.16 1 74 VAL 4.65 -0.67 1 76 ASN 0.88 0.28 1 77 ILE -1.92 -0.01 1 78 SER 2.33 -0.61 1 80 ILE 1.53 0.28 1 81 ALA -3.57 0.36 1 83 VAL -4.53 0.92 1 84 ASP -1.55 0.34 1 85 ASP -1.57 -0.12 1 86 GLN 0.09 0.21 1 87 VAL 1.12 0.20 1 88 LYS -0.76 0.31 1 89 THR -3.98 0.65 1 90 ALA 1.41 -0.12 1 91 THR -1.79 0.12 1 93 ALA -3.68 0.20 1 94 THR 1.21 -0.25 1 95 ALA -1.40 0.14 1 96 SER 1.35 -0.09 1 97 GLN -0.91 -0.04 1 98 PHE -2.67 0.81 1 99 TYR -4.77 -0.01 1 100 THR 1.25 0.16 1 101 VAL 3.40 -0.29 1 102 LYS -3.53 0.28 1 103 SER 3.61 -0.38 1 105 ASP 1.40 -0.18 1 106 THR -5.25 0.21 1 107 LEU 4.64 -0.34 1 108 SER 5.22 -0.14 1 109 ALA 3.05 -0.23 1 110 ILE 5.22 -0.88 1 111 SER 3.22 -0.65 1 112 LYS 4.49 -0.73 1 113 GLN 3.74 -0.33 1 114 VAL 2.70 -0.04 1 115 TYR -3.92 0.62 1 117 ASN -2.25 0.07 1 118 ALA 1.14 0.06 1 119 ASN 2.36 0.04 1 120 LEU 1.24 0.18 1 121 TYR 4.32 -0.49 1 122 ASN 4.25 -0.28 1 123 LYS 3.82 -0.26 1 124 ILE 5.10 -0.55 1 125 PHE 3.13 -0.24 1 126 GLU 3.45 -1.02 1 127 ALA 0.56 -0.07 1 128 ASN -3.10 0.48 1 129 LYS 1.71 -0.26 1 131 MET 5.39 -0.58 1 132 LEU -2.73 0.27 1 133 LYS 0.47 0.10 1 134 SER -1.44 -0.12 1 136 ASP 0.35 -0.10 1 137 LYS 0.75 0.29 1 139 TYR -2.37 0.40 1 142 GLN 0.64 -0.68 1 144 LEU -6.16 0.32 1 145 ARG -1.75 0.30 1 146 ILE -0.73 0.07 1 148 GLU -0.25 -0.02 1 149 GLU -1.18 -0.14 1 150 LEU -0.19 -0.07 1 151 GLU -0.19 -0.22 1 152 HIS -0.18 -0.24 1 156 HIS -0.50 -0.17 1 157 HIS 0.70 -0.36 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25839_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.16 _LACS_plot.Line_1_terminator_val_y_1 -2.08 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.67 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.71 _LACS_plot.Line_2_terminator_val_x_2 7.04 _LACS_plot.Line_2_terminator_val_y_2 2.35 _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 157 HIS 0.70 5.43 0 10 ALA -1.75 -1.99 1 12 GLU -0.26 -0.14 1 13 LYS 1.00 -0.94 1 14 LEU -2.16 -1.70 1 15 TRP -0.98 -2.17 1 16 ASP -1.54 -0.06 1 17 ALA 0.85 0.25 1 18 VAL 1.25 0.88 1 19 THR 0.87 0.93 1 21 GLN 0.48 -0.20 1 22 HIS -0.70 1.11 1 23 ASP -0.63 0.27 1 24 LYS 3.71 1.71 1 25 ASP 2.52 1.16 1 26 ASP 1.38 1.58 1 27 GLN 5.34 1.89 1 28 ALA 4.45 2.00 1 29 LYS 4.22 2.93 1 30 LYS 3.52 4.02 1 31 VAL 7.04 0.98 1 32 GLN 5.28 2.66 1 33 GLU 3.19 2.06 1 34 HIS 1.85 4.98 1 35 LEU 4.16 1.03 1 36 ASN 3.40 3.55 1 37 LYS 3.68 2.30 1 38 THR 2.41 -0.18 1 40 ILE 1.01 -0.90 1 42 ASP 4.11 0.11 1 43 ALA 2.35 -0.69 1 44 ASP 1.80 0.92 1 45 LYS -0.37 -0.17 1 46 VAL -5.21 -1.95 1 47 ASN -3.74 -1.19 1 48 ILE -2.47 -2.05 1 49 GLN -4.54 -1.33 1 50 ILE -3.16 -1.81 1 51 ALA -2.16 -0.93 1 52 ASP 2.06 -0.16 1 54 LYS -2.20 -0.54 1 55 ALA -5.61 -1.41 1 56 THR 0.94 -0.86 1 57 VAL -1.71 -2.61 1 58 THR -3.08 -0.81 1 60 ASP -3.31 -0.61 1 62 LEU -1.86 -0.57 1 63 SER -2.26 0.28 1 64 GLN 5.36 1.38 1 65 GLU 3.13 0.49 1 66 ALA 2.88 2.49 1 67 LYS 5.02 1.19 1 68 GLU 2.88 1.64 1 69 LYS 4.66 3.11 1 70 ILE 5.63 0.04 1 71 LEU 4.31 1.07 1 72 VAL 4.81 0.38 1 73 ALA 2.73 2.07 1 74 VAL 4.65 -1.62 1 76 ASN 0.88 -0.26 1 77 ILE -1.92 -0.17 1 78 SER 2.33 1.63 1 80 ILE 1.53 -2.46 1 81 ALA -3.57 0.11 1 82 SER -3.04 -2.39 1 83 VAL -4.53 -2.12 1 84 ASP -1.55 -1.08 1 85 ASP -1.57 -0.23 1 86 GLN 0.09 0.50 1 87 VAL 1.12 -0.30 1 88 LYS -0.76 -0.45 1 89 THR -3.98 1.62 1 90 ALA 1.41 0.09 1 91 THR -1.79 -0.70 1 93 ALA -3.68 -1.37 1 94 THR 1.21 -0.81 1 95 ALA -1.40 0.80 1 96 SER 1.35 -1.12 1 97 GLN -0.91 -1.35 1 98 PHE -2.67 -0.66 1 99 TYR -4.77 -2.24 1 100 THR 1.25 -2.55 1 101 VAL 3.40 0.38 1 102 LYS -3.53 0.35 1 103 SER 3.61 2.33 1 105 ASP 1.40 0.11 1 106 THR -5.25 0.38 1 107 LEU 4.64 1.29 1 108 SER 5.22 4.33 1 109 ALA 3.05 3.50 1 110 ILE 5.22 0.74 1 111 SER 3.22 3.04 1 112 LYS 4.49 1.53 1 113 GLN 3.74 2.00 1 114 VAL 2.70 1.15 1 115 TYR -3.92 1.40 1 117 ASN -2.25 -0.10 1 118 ALA 1.14 -0.26 1 119 ASN 2.36 0.52 1 120 LEU 1.24 0.11 1 121 TYR 4.32 1.04 1 122 ASN 4.25 1.99 1 123 LYS 3.82 3.44 1 124 ILE 5.10 1.92 1 125 PHE 3.13 0.96 1 126 GLU 3.45 2.49 1 127 ALA 0.56 -0.49 1 128 ASN -3.10 -1.56 1 129 LYS 1.71 1.35 1 131 MET 5.39 0.45 1 132 LEU -2.73 -1.87 1 133 LYS 0.47 0.61 1 134 SER -1.44 0.13 1 136 ASP 0.35 0.51 1 137 LYS 0.75 0.04 1 138 ILE -1.06 -0.67 1 139 TYR -2.37 -3.37 1 142 GLN 0.64 -0.96 1 143 VAL -0.14 -0.73 1 144 LEU -6.16 -0.57 1 145 ARG -1.75 -0.38 1 146 ILE -0.73 -1.30 1 148 GLU -0.25 -0.15 1 149 GLU -1.18 -0.71 1 150 LEU -0.19 -0.32 1 151 GLU -0.19 -0.36 1 152 HIS -0.18 1.02 1 156 HIS -0.50 0.10 1 stop_ save_