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 bmr19267_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -1.07 _LACS_plot.Line_1_terminator_val_y_1 -0.66 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.22 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.44 _LACS_plot.Line_2_terminator_val_x_2 5.44 _LACS_plot.Line_2_terminator_val_y_2 3.60 _LACS_plot.Y_axis_chem_shift_offset 0.04 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 99 ASP -0.02 -0.99 0 154 HIS 1.44 1.90 0 137 THR 5.45 4.27 0 10 LEU 0.90 -0.02 1 11 SER -0.68 -0.52 1 12 SER -0.97 -0.41 1 14 LYS 1.54 0.67 1 15 LEU 1.41 0.60 1 16 ASP 2.44 1.47 1 17 VAL 1.77 1.06 1 18 VAL 2.24 1.32 1 19 ILE 1.74 0.90 1 20 ASP 0.59 0.42 1 21 MET 1.33 1.05 1 23 ASN 0.16 0.40 1 25 PHE 2.26 1.03 1 26 LEU 2.06 1.19 1 27 ASN 0.69 0.70 1 28 LEU 0.68 0.49 1 29 THR -1.07 -0.42 1 30 VAL 3.23 1.97 1 31 ASP 2.15 1.66 1 33 PHE 2.89 2.21 1 34 LEU 3.11 1.63 1 35 LYS 2.99 1.67 1 36 ILE 3.62 2.22 1 38 ALA 2.59 1.79 1 39 VAL 4.36 2.81 1 40 ALA 3.02 1.91 1 41 ALA 2.21 1.46 1 42 THR 2.21 1.71 1 43 ARG 2.07 1.00 1 44 SER 1.11 0.90 1 45 VAL 1.61 0.51 1 46 ALA 0.70 0.40 1 47 GLU 1.35 0.80 1 48 ASP 0.94 0.49 1 49 THR 1.75 1.39 1 50 PHE 1.26 0.62 1 51 HIS 0.83 0.77 1 52 ILE 1.79 1.27 1 53 ILE 1.39 0.40 1 54 ARG 0.99 -0.12 1 55 LYS 1.46 0.67 1 57 SER 0.11 0.27 1 58 ILE 1.32 0.52 1 59 SER -0.65 -0.34 1 60 SER 0.52 0.32 1 61 ASN 0.32 0.48 1 62 ASP 0.86 0.49 1 63 PHE 1.51 0.83 1 64 GLU 1.83 1.10 1 65 LYS 1.67 0.81 1 66 SER 0.82 0.71 1 67 LEU 3.26 2.10 1 68 LYS 4.02 2.75 1 69 LYS 2.84 1.79 1 70 MET 2.14 1.99 1 72 LYS 1.92 0.81 1 73 GLU 0.60 -0.13 1 75 ALA 1.48 0.72 1 76 TYR 1.89 0.84 1 77 TRP 2.19 1.77 1 79 ALA 2.37 1.51 1 80 ILE 3.69 2.40 1 81 ALA 3.33 1.99 1 83 VAL 3.62 2.40 1 84 TYR 2.42 2.24 1 85 VAL 3.37 1.92 1 87 MET 1.60 1.13 1 88 GLU 1.52 0.67 1 89 TYR 0.83 0.54 1 91 VAL 2.63 1.38 1 92 GLU 1.69 0.95 1 93 ARG 1.89 0.92 1 94 ILE 1.52 0.83 1 95 ARG 2.18 1.31 1 97 THR 0.83 0.66 1 98 ARG 0.00 -0.66 1 100 TRP 1.77 1.20 1 101 LYS 3.90 2.18 1 102 ASN 0.87 0.89 1 103 ALA 1.01 0.53 1 104 MET 1.56 1.29 1 105 PHE 0.91 -0.28 1 108 ALA 1.88 1.78 1 109 VAL 4.85 3.07 1 110 THR 4.75 3.40 1 112 ALA 2.85 1.92 1 113 LEU 3.88 2.64 1 114 VAL 5.24 3.50 1 115 SER 3.59 2.77 1 116 ALA 2.97 1.81 1 117 ALA 2.33 1.45 1 118 SER 1.64 1.44 1 119 ASN 0.86 0.90 1 120 ASN 0.54 0.76 1 121 LYS 1.47 0.58 1 122 LYS 1.46 0.50 1 123 ASP 0.91 0.45 1 124 LYS 0.46 0.05 1 125 ILE 0.55 -0.08 1 126 ALA -0.48 -0.80 1 127 VAL 3.16 1.91 1 128 ASP 2.21 1.21 1 129 ALA 1.10 0.83 1 130 ILE 2.54 1.32 1 131 THR 2.08 1.80 1 133 ALA 2.54 1.77 1 134 ALA 3.54 2.56 1 135 ILE 4.82 3.12 1 136 ALA 3.49 2.22 1 138 ALA 3.93 2.72 1 139 ALA 3.92 2.57 1 140 GLU 3.07 1.96 1 141 PHE 3.38 2.90 1 142 ILE 4.59 2.89 1 143 ASN 3.13 2.86 1 145 LEU 1.88 1.29 1 146 THR 1.48 1.11 1 147 LEU 1.88 0.89 1 148 GLU 0.38 -0.01 1 149 HIS 1.06 0.81 1 150 HIS 0.73 0.75 1 151 HIS 0.68 0.74 1 152 HIS 0.47 0.58 1 153 HIS 0.38 0.63 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19267_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -1.07 _LACS_plot.Line_1_terminator_val_y_1 0.41 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.78 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.56 _LACS_plot.Line_2_terminator_val_x_2 5.44 _LACS_plot.Line_2_terminator_val_y_2 -1.84 _LACS_plot.Y_axis_chem_shift_offset 0.04 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 99 ASP -0.02 -0.97 0 154 HIS 1.44 0.46 0 137 THR 5.45 -1.18 0 10 LEU 0.90 -0.92 1 11 SER -0.68 0.16 1 12 SER -0.97 0.56 1 14 LYS 1.54 -0.87 1 15 LEU 1.41 -0.81 1 16 ASP 2.44 -0.97 1 17 VAL 1.77 -0.71 1 18 VAL 2.24 -0.92 1 19 ILE 1.74 -0.84 1 20 ASP 0.59 -0.17 1 21 MET 1.33 -0.28 1 23 ASN 0.16 0.24 1 25 PHE 2.26 -1.23 1 26 LEU 2.06 -0.87 1 27 ASN 0.69 0.01 1 28 LEU 0.68 -0.19 1 29 THR -1.07 0.65 1 30 VAL 3.23 -1.26 1 31 ASP 2.15 -0.49 1 33 PHE 2.89 -0.68 1 34 LEU 3.11 -1.48 1 35 LYS 2.99 -1.32 1 36 ILE 3.62 -1.40 1 38 ALA 2.59 -0.80 1 39 VAL 4.36 -1.55 1 40 ALA 3.02 -1.11 1 41 ALA 2.21 -0.75 1 42 THR 2.21 -0.50 1 43 ARG 2.07 -1.07 1 44 SER 1.11 -0.21 1 45 VAL 1.61 -1.10 1 46 ALA 0.70 -0.30 1 47 GLU 1.35 -0.55 1 48 ASP 0.94 -0.45 1 49 THR 1.75 -0.36 1 50 PHE 1.26 -0.64 1 51 HIS 0.83 -0.06 1 52 ILE 1.79 -0.52 1 53 ILE 1.39 -0.99 1 54 ARG 0.99 -1.11 1 55 LYS 1.46 -0.79 1 57 SER 0.11 0.16 1 58 ILE 1.32 -0.80 1 59 SER -0.65 0.31 1 60 SER 0.52 -0.20 1 61 ASN 0.32 0.16 1 62 ASP 0.86 -0.37 1 63 PHE 1.51 -0.68 1 64 GLU 1.83 -0.73 1 65 LYS 1.67 -0.86 1 66 SER 0.82 -0.11 1 67 LEU 3.26 -1.16 1 68 LYS 4.02 -1.27 1 69 LYS 2.84 -1.05 1 70 MET 2.14 -0.15 1 72 LYS 1.92 -1.11 1 73 GLU 0.60 -0.73 1 75 ALA 1.48 -0.76 1 76 TYR 1.89 -1.05 1 77 TRP 2.19 -0.42 1 79 ALA 2.37 -0.86 1 80 ILE 3.69 -1.29 1 81 ALA 3.33 -1.34 1 83 VAL 3.62 -1.22 1 84 TYR 2.42 -0.18 1 85 VAL 3.37 -1.45 1 87 MET 1.60 -0.47 1 88 GLU 1.52 -0.85 1 89 TYR 0.83 -0.29 1 91 VAL 2.63 -1.25 1 92 GLU 1.69 -0.74 1 93 ARG 1.89 -0.97 1 94 ILE 1.52 -0.69 1 95 ARG 2.18 -0.87 1 97 THR 0.83 -0.17 1 98 ARG 0.00 -0.66 1 100 TRP 1.77 -0.57 1 101 LYS 3.90 -1.72 1 102 ASN 0.87 0.02 1 103 ALA 1.01 -0.48 1 104 MET 1.56 -0.27 1 105 PHE 0.91 -1.19 1 108 ALA 1.88 -0.10 1 109 VAL 4.85 -1.78 1 110 THR 4.75 -1.35 1 112 ALA 2.85 -0.93 1 113 LEU 3.88 -1.24 1 114 VAL 5.24 -1.74 1 115 SER 3.59 -0.82 1 116 ALA 2.97 -1.16 1 117 ALA 2.33 -0.88 1 118 SER 1.64 -0.20 1 119 ASN 0.86 0.04 1 120 ASN 0.54 0.22 1 121 LYS 1.47 -0.89 1 122 LYS 1.46 -0.96 1 123 ASP 0.91 -0.46 1 124 LYS 0.46 -0.41 1 125 ILE 0.55 -0.63 1 126 ALA -0.48 -0.32 1 127 VAL 3.16 -1.25 1 128 ASP 2.21 -1.00 1 129 ALA 1.10 -0.27 1 130 ILE 2.54 -1.22 1 131 THR 2.08 -0.28 1 133 ALA 2.54 -0.77 1 134 ALA 3.54 -0.98 1 135 ILE 4.82 -1.70 1 136 ALA 3.49 -1.27 1 138 ALA 3.93 -1.21 1 139 ALA 3.92 -1.35 1 140 GLU 3.07 -1.11 1 141 PHE 3.38 -0.48 1 142 ILE 4.59 -1.70 1 143 ASN 3.13 -0.27 1 145 LEU 1.88 -0.59 1 146 THR 1.48 -0.37 1 147 LEU 1.88 -0.99 1 148 GLU 0.38 -0.39 1 149 HIS 1.06 -0.25 1 150 HIS 0.73 0.02 1 151 HIS 0.68 0.06 1 152 HIS 0.47 0.11 1 153 HIS 0.38 0.25 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19267_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -1.07 _LACS_plot.Line_1_terminator_val_y_1 0.08 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.15 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.15 _LACS_plot.Line_2_terminator_val_x_2 5.44 _LACS_plot.Line_2_terminator_val_y_2 -0.40 _LACS_plot.Y_axis_chem_shift_offset -0.00 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 137 THR 5.45 0.07 0 10 LEU 0.90 0.04 1 11 SER -0.68 0.03 1 12 SER -0.97 -0.03 1 14 LYS 1.54 -0.05 1 15 LEU 1.41 -0.13 1 16 ASP 2.44 -0.20 1 17 VAL 1.77 -0.10 1 18 VAL 2.24 -0.12 1 19 ILE 1.74 -0.18 1 20 ASP 0.59 -0.02 1 21 MET 1.33 -0.16 1 23 ASN 0.16 -0.19 1 25 PHE 2.26 -0.12 1 26 LEU 2.06 -0.16 1 27 ASN 0.69 -0.04 1 28 LEU 0.68 0.04 1 29 THR -1.07 0.15 1 30 VAL 3.23 -0.15 1 31 ASP 2.15 -0.16 1 33 PHE 2.89 -0.22 1 35 LYS 2.99 -0.14 1 36 ILE 3.62 -0.30 1 38 ALA 2.59 -0.12 1 39 VAL 4.36 -0.32 1 40 ALA 3.02 -0.24 1 41 ALA 2.21 -0.10 1 42 THR 2.21 -0.16 1 43 ARG 2.07 -0.10 1 44 SER 1.11 -0.01 1 45 VAL 1.61 0.00 1 46 ALA 0.70 -0.07 1 48 ASP 0.94 -0.03 1 49 THR 1.75 -0.23 1 50 PHE 1.26 -0.15 1 51 HIS 0.83 -0.11 1 52 ILE 1.79 -0.19 1 53 ILE 1.39 -0.09 1 54 ARG 0.99 -0.02 1 55 LYS 1.46 -0.10 1 57 SER 0.11 0.00 1 58 ILE 1.32 0.01 1 59 SER -0.65 0.06 1 60 SER 0.52 -0.07 1 61 ASN 0.32 -0.09 1 62 ASP 0.86 -0.05 1 63 PHE 1.51 -0.09 1 64 GLU 1.83 -0.29 1 65 LYS 1.67 -0.13 1 66 SER 0.82 -0.04 1 69 LYS 2.84 -0.23 1 70 MET 2.14 -0.22 1 73 GLU 0.60 -0.09 1 75 ALA 1.48 -0.18 1 79 ALA 2.37 -0.07 1 80 ILE 3.69 -0.36 1 83 VAL 3.62 -0.22 1 84 TYR 2.42 -0.22 1 85 VAL 3.37 -0.27 1 87 MET 1.60 -0.18 1 89 TYR 0.83 -0.06 1 92 GLU 1.69 -0.19 1 93 ARG 1.89 -0.09 1 95 ARG 2.18 -0.06 1 97 THR 0.83 -0.06 1 98 ARG 0.00 -0.12 1 99 ASP -0.02 0.08 1 100 TRP 1.77 -0.32 1 101 LYS 3.90 -0.38 1 102 ASN 0.87 -0.12 1 103 ALA 1.01 -0.04 1 104 MET 1.56 -0.27 1 105 PHE 0.91 0.19 1 108 ALA 1.88 -0.09 1 109 VAL 4.85 -0.30 1 110 THR 4.75 -0.45 1 112 ALA 2.85 -0.11 1 113 LEU 3.88 -0.26 1 114 VAL 5.24 -0.46 1 115 SER 3.59 -0.26 1 116 ALA 2.97 -0.10 1 117 ALA 2.33 -0.17 1 118 SER 1.64 -0.15 1 119 ASN 0.86 -0.05 1 120 ASN 0.54 0.00 1 121 LYS 1.47 -0.04 1 122 LYS 1.46 -0.08 1 124 LYS 0.46 -0.01 1 125 ILE 0.55 -0.06 1 126 ALA -0.48 0.20 1 127 VAL 3.16 -0.25 1 128 ASP 2.21 -0.17 1 129 ALA 1.10 -0.04 1 130 ILE 2.54 -0.10 1 131 THR 2.08 -0.16 1 133 ALA 2.54 -0.05 1 134 ALA 3.54 -0.20 1 135 ILE 4.82 -0.46 1 136 ALA 3.49 -0.14 1 138 ALA 3.93 -0.24 1 139 ALA 3.92 -0.29 1 140 GLU 3.07 -0.23 1 142 ILE 4.59 -0.42 1 143 ASN 3.13 -0.30 1 146 THR 1.48 -0.13 1 147 LEU 1.88 -0.11 1 148 GLU 0.38 -0.22 1 150 HIS 0.73 -0.45 1 151 HIS 0.68 -0.09 1 152 HIS 0.47 -0.08 1 154 HIS 1.44 -0.29 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19267_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -1.07 _LACS_plot.Line_1_terminator_val_y_1 -0.48 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.66 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.82 _LACS_plot.Line_2_terminator_val_x_2 5.44 _LACS_plot.Line_2_terminator_val_y_2 1.93 _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 154 HIS 1.44 4.81 0 10 LEU 0.90 -1.10 1 11 SER -0.68 -0.67 1 12 SER -0.97 0.16 1 14 LYS 1.54 0.24 1 15 LEU 1.41 -0.38 1 16 ASP 2.44 0.61 1 17 VAL 1.77 0.14 1 18 VAL 2.24 0.25 1 19 ILE 1.74 0.06 1 20 ASP 0.59 0.44 1 21 MET 1.33 0.48 1 23 ASN 0.16 0.69 1 25 PHE 2.26 0.75 1 26 LEU 2.06 -0.03 1 27 ASN 0.69 0.01 1 28 LEU 0.68 -0.94 1 29 THR -1.07 0.34 1 30 VAL 3.23 0.14 1 31 ASP 2.15 1.44 1 33 PHE 2.89 1.11 1 34 LEU 3.11 0.98 1 35 LYS 2.99 1.41 1 36 ILE 3.62 1.23 1 38 ALA 2.59 2.06 1 39 VAL 4.36 1.55 1 40 ALA 3.02 1.37 1 41 ALA 2.21 1.36 1 42 THR 2.21 0.86 1 43 ARG 2.07 0.43 1 44 SER 1.11 0.47 1 45 VAL 1.61 0.24 1 46 ALA 0.70 0.18 1 47 GLU 1.35 0.20 1 48 ASP 0.94 0.16 1 49 THR 1.75 -0.36 1 50 PHE 1.26 -0.51 1 51 HIS 0.83 0.34 1 52 ILE 1.79 -0.49 1 53 ILE 1.39 -0.31 1 54 ARG 0.99 0.26 1 55 LYS 1.46 0.72 1 57 SER 0.11 0.11 1 58 ILE 1.32 -0.22 1 59 SER -0.65 0.18 1 60 SER 0.52 -0.11 1 61 ASN 0.32 -0.32 1 62 ASP 0.86 0.07 1 63 PHE 1.51 0.51 1 64 GLU 1.83 0.30 1 65 LYS 1.67 0.41 1 66 SER 0.82 0.66 1 67 LEU 3.26 0.91 1 68 LYS 4.02 1.30 1 69 LYS 2.84 1.17 1 70 MET 2.14 1.05 1 72 LYS 1.92 0.42 1 73 GLU 0.60 0.58 1 75 ALA 1.48 0.81 1 76 TYR 1.89 0.83 1 77 TRP 2.19 1.62 1 79 ALA 2.37 1.61 1 80 ILE 3.69 0.71 1 81 ALA 3.33 1.53 1 83 VAL 3.62 0.73 1 84 TYR 2.42 1.10 1 85 VAL 3.37 1.28 1 87 MET 1.60 0.18 1 88 GLU 1.52 0.12 1 89 TYR 0.83 0.82 1 91 VAL 2.63 0.25 1 92 GLU 1.69 0.79 1 93 ARG 1.89 0.81 1 94 ILE 1.52 0.49 1 95 ARG 2.18 0.84 1 97 THR 0.83 0.00 1 98 ARG 0.00 -1.06 1 99 ASP -0.02 0.35 1 100 TRP 1.77 1.10 1 101 LYS 3.90 0.69 1 102 ASN 0.87 0.47 1 103 ALA 1.01 0.28 1 104 MET 1.56 -0.19 1 105 PHE 0.91 1.12 1 108 ALA 1.88 1.62 1 109 VAL 4.85 1.01 1 110 THR 4.75 2.16 1 112 ALA 2.85 2.07 1 113 LEU 3.88 0.79 1 114 VAL 5.24 2.55 1 115 SER 3.59 1.85 1 116 ALA 2.97 1.74 1 117 ALA 2.33 0.93 1 118 SER 1.64 0.82 1 119 ASN 0.86 0.20 1 120 ASN 0.54 -0.13 1 121 LYS 1.47 0.25 1 122 LYS 1.46 -0.23 1 123 ASP 0.91 -0.18 1 124 LYS 0.46 -0.16 1 125 ILE 0.55 -1.14 1 126 ALA -0.48 -0.17 1 127 VAL 3.16 0.48 1 128 ASP 2.21 0.88 1 129 ALA 1.10 0.89 1 130 ILE 2.54 0.29 1 131 THR 2.08 1.66 1 133 ALA 2.54 1.95 1 134 ALA 3.54 1.29 1 135 ILE 4.82 0.90 1 136 ALA 3.49 2.93 1 137 THR 5.45 1.47 1 138 ALA 3.93 0.96 1 139 ALA 3.92 2.13 1 140 GLU 3.07 2.23 1 141 PHE 3.38 1.70 1 142 ILE 4.59 1.60 1 143 ASN 3.13 1.56 1 145 LEU 1.88 0.39 1 146 THR 1.48 0.67 1 147 LEU 1.88 0.44 1 148 GLU 0.38 0.06 1 149 HIS 1.06 0.34 1 150 HIS 0.73 0.38 1 151 HIS 0.68 0.28 1 152 HIS 0.47 0.04 1 153 HIS 0.38 -0.43 1 stop_ save_