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 bmr27458_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.41 _LACS_plot.Line_1_terminator_val_y_1 -3.06 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.86 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.15 _LACS_plot.Line_2_terminator_val_x_2 7.37 _LACS_plot.Line_2_terminator_val_y_2 4.95 _LACS_plot.Y_axis_chem_shift_offset -0.13 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 98 ILE -0.44 -2.97 0 122 LEU 2.09 -1.59 0 48 SER 7.38 5.21 0 10 VAL -0.06 0.56 1 11 GLU -3.92 -1.49 1 13 LEU -3.59 -0.95 1 15 ILE -1.92 -0.45 1 17 LEU -3.90 -1.49 1 18 ALA 0.58 -0.15 1 19 VAL -3.87 -1.01 1 20 ALA 2.33 1.79 1 22 HIS 1.91 1.20 1 23 HIS 1.65 2.84 1 24 GLN -1.24 -0.70 1 26 ALA -3.13 -1.27 1 28 PHE 0.23 0.92 1 29 TYR -0.59 1.83 1 30 LEU -3.57 -1.57 1 31 THR -3.37 -2.38 1 32 ALA 2.42 2.02 1 33 ASP -0.52 -1.01 1 34 MET 2.21 2.58 1 35 PHE 3.56 0.23 1 38 LEU -6.55 -1.90 1 40 VAL -7.31 -4.73 1 41 GLN -5.15 -0.88 1 42 LEU -4.14 0.97 1 43 ALA -4.35 -1.83 1 46 GLU -0.36 -0.52 1 47 LEU -0.52 0.88 1 49 THR 1.07 0.38 1 50 LEU -1.16 -0.86 1 51 VAL 5.18 3.23 1 53 LYS -2.20 -1.35 1 55 VAL 0.73 -0.02 1 56 ALA -4.65 -1.82 1 57 ALA 0.14 -0.20 1 59 HIS -1.80 0.00 1 60 THR -5.01 -2.10 1 61 HIS -2.00 -0.68 1 63 VAL -6.72 -4.36 1 64 ASP 0.00 0.79 1 65 GLU -8.41 -3.74 1 66 LEU -3.92 -3.30 1 67 TYR -4.15 -4.00 1 68 LEU -3.95 -1.59 1 69 LEU -5.21 -2.08 1 70 VAL -5.82 -2.62 1 71 SER 0.99 1.85 1 73 ASN -3.15 -1.13 1 74 LYS 3.62 2.59 1 77 ALA -4.76 -2.14 1 78 ARG -5.95 -1.34 1 79 ILE -5.17 -2.44 1 80 GLU -5.84 -2.29 1 81 VAL -2.60 -0.70 1 82 GLN -1.60 -1.18 1 83 LEU -4.04 -1.05 1 84 ASP 2.73 1.98 1 86 ARG -3.00 -1.29 1 87 ARG -2.16 -0.75 1 88 HIS -4.75 -0.05 1 89 GLU -2.78 -0.75 1 90 LEU -4.72 -1.25 1 91 LEU -5.33 -2.16 1 92 SER 0.45 -0.18 1 94 ALA -5.56 -0.23 1 95 VAL -6.02 -2.77 1 96 MET -7.23 -1.71 1 97 ARG -0.37 -0.51 1 100 ALA 1.89 1.09 1 102 SER 1.58 1.34 1 103 GLU -0.48 -0.03 1 104 HIS -3.39 1.11 1 106 PHE -6.10 -1.95 1 107 LEU -6.00 -1.35 1 108 THR 6.14 3.97 1 109 LEU 0.71 0.74 1 110 GLU -4.26 -0.70 1 111 ALA -1.91 0.61 1 112 GLU -3.02 -2.66 1 113 VAL 4.60 3.02 1 115 SER -0.89 -0.10 1 116 TYR -5.37 -0.74 1 118 PHE -3.56 -1.88 1 120 ILE 0.09 -0.22 1 121 LEU -0.83 -0.58 1 124 ASP -0.22 -0.59 1 125 ARG -3.18 -0.97 1 126 LEU -2.43 0.75 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27458_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.41 _LACS_plot.Line_1_terminator_val_y_1 5.35 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.14 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.85 _LACS_plot.Line_2_terminator_val_x_2 7.37 _LACS_plot.Line_2_terminator_val_y_2 -2.42 _LACS_plot.Y_axis_chem_shift_offset -0.13 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 98 ILE -0.44 -2.53 0 122 LEU 2.09 -3.68 0 48 SER 7.38 -2.17 0 10 VAL -0.06 0.62 1 11 GLU -3.92 2.43 1 13 LEU -3.59 2.64 1 15 ILE -1.92 1.47 1 17 LEU -3.90 2.41 1 18 ALA 0.58 -0.73 1 19 VAL -3.87 2.86 1 20 ALA 2.33 -0.54 1 22 HIS 1.91 -0.71 1 23 HIS 1.65 1.19 1 24 GLN -1.24 0.54 1 26 ALA -3.13 1.86 1 28 PHE 0.23 0.69 1 29 TYR -0.59 2.42 1 30 LEU -3.57 2.00 1 31 THR -3.37 0.99 1 32 ALA 2.42 -0.40 1 33 ASP -0.52 -0.49 1 34 MET 2.21 0.37 1 35 PHE 3.56 -3.33 1 38 LEU -6.55 4.65 1 40 VAL -7.31 2.58 1 41 GLN -5.15 4.27 1 42 LEU -4.14 5.11 1 43 ALA -4.35 2.52 1 46 GLU -0.36 -0.16 1 47 LEU -0.52 1.40 1 49 THR 1.07 -0.69 1 50 LEU -1.16 0.30 1 51 VAL 5.18 -1.95 1 53 LYS -2.20 0.85 1 55 VAL 0.73 -0.75 1 56 ALA -4.65 2.83 1 57 ALA 0.14 -0.34 1 59 HIS -1.80 1.80 1 60 THR -5.01 2.91 1 61 HIS -2.00 1.32 1 63 VAL -6.72 2.36 1 64 ASP 0.00 0.79 1 65 GLU -8.41 4.67 1 66 LEU -3.92 0.62 1 67 TYR -4.15 0.15 1 68 LEU -3.95 2.36 1 69 LEU -5.21 3.13 1 70 VAL -5.82 3.20 1 71 SER 0.99 0.86 1 73 ASN -3.15 2.02 1 74 LYS 3.62 -1.03 1 77 ALA -4.76 2.62 1 78 ARG -5.95 4.61 1 79 ILE -5.17 2.73 1 80 GLU -5.84 3.55 1 81 VAL -2.60 1.90 1 82 GLN -1.60 0.42 1 83 LEU -4.04 2.99 1 84 ASP 2.73 -0.75 1 86 ARG -3.00 1.71 1 87 ARG -2.16 1.41 1 88 HIS -4.75 4.70 1 89 GLU -2.78 2.03 1 90 LEU -4.72 3.47 1 91 LEU -5.33 3.17 1 92 SER 0.45 -0.63 1 94 ALA -5.56 5.33 1 95 VAL -6.02 3.25 1 96 MET -7.23 5.52 1 97 ARG -0.37 -0.14 1 100 ALA 1.89 -0.80 1 102 SER 1.58 -0.24 1 103 GLU -0.48 0.45 1 104 HIS -3.39 4.50 1 106 PHE -6.10 4.15 1 107 LEU -6.00 4.65 1 108 THR 6.14 -2.17 1 109 LEU 0.71 0.03 1 110 GLU -4.26 3.56 1 111 ALA -1.91 2.52 1 112 GLU -3.02 0.36 1 113 VAL 4.60 -1.58 1 115 SER -0.89 0.79 1 116 TYR -5.37 4.63 1 118 PHE -3.56 1.68 1 120 ILE 0.09 -0.31 1 121 LEU -0.83 0.25 1 124 ASP -0.22 -0.37 1 125 ARG -3.18 2.21 1 126 LEU -2.43 3.18 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27458_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -8.41 _LACS_plot.Line_1_terminator_val_y_1 1.04 _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 0.27 _LACS_plot.Line_2_terminator_val_x_2 7.37 _LACS_plot.Line_2_terminator_val_y_2 -0.74 _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 13 LEU -3.59 -0.48 0 95 VAL -6.02 1.65 0 108 THR 6.14 -0.15 0 48 SER 7.38 -0.53 0 10 VAL -0.06 0.18 1 11 GLU -3.92 0.55 1 15 ILE -1.92 -0.02 1 17 LEU -3.90 0.35 1 18 ALA 0.58 0.10 1 19 VAL -3.87 0.05 1 20 ALA 2.33 -0.24 1 22 HIS 1.91 -0.23 1 23 HIS 1.65 -0.25 1 24 GLN -1.24 0.12 1 26 ALA -3.13 0.24 1 28 PHE 0.23 0.13 1 29 TYR -0.59 -0.05 1 30 LEU -3.57 0.87 1 31 THR -3.37 0.73 1 32 ALA 2.42 -0.26 1 33 ASP -0.52 -0.21 1 34 MET 2.21 -0.83 1 35 PHE 3.56 -0.37 1 38 LEU -6.55 0.37 1 40 VAL -7.31 1.01 1 41 GLN -5.15 0.16 1 42 LEU -4.14 1.13 1 43 ALA -4.35 0.88 1 46 GLU -0.36 -0.39 1 47 LEU -0.52 -0.16 1 49 THR 1.07 0.19 1 50 LEU -1.16 0.17 1 51 VAL 5.18 -0.83 1 53 LYS -2.20 0.23 1 55 VAL 0.73 0.06 1 56 ALA -4.65 0.05 1 57 ALA 0.14 -0.04 1 59 HIS -1.80 0.31 1 60 THR -5.01 0.32 1 61 HIS -2.00 0.46 1 63 VAL -6.72 0.48 1 64 ASP 0.00 -0.21 1 65 GLU -8.41 0.89 1 66 LEU -3.92 0.85 1 67 TYR -4.15 1.13 1 68 LEU -3.95 0.59 1 69 LEU -5.21 0.91 1 70 VAL -5.82 0.59 1 71 SER 0.99 0.32 1 73 ASN -3.15 0.23 1 74 LYS 3.62 -0.26 1 77 ALA -4.76 0.60 1 78 ARG -5.95 1.17 1 79 ILE -5.17 1.15 1 80 GLU -5.84 0.84 1 81 VAL -2.60 0.63 1 82 GLN -1.60 0.71 1 83 LEU -4.04 0.81 1 84 ASP 2.73 -0.18 1 86 ARG -3.00 0.23 1 87 ARG -2.16 0.57 1 88 HIS -4.75 0.08 1 89 GLU -2.78 0.87 1 90 LEU -4.72 0.38 1 91 LEU -5.33 0.83 1 92 SER 0.45 -0.60 1 94 ALA -5.56 0.74 1 96 MET -7.23 1.02 1 97 ARG -0.37 -0.05 1 98 ILE -0.44 -0.17 1 100 ALA 1.89 -0.40 1 102 SER 1.58 0.21 1 103 GLU -0.48 -0.22 1 104 HIS -3.39 1.22 1 106 PHE -6.10 1.53 1 107 LEU -6.00 0.02 1 109 LEU 0.71 0.17 1 110 GLU -4.26 -0.03 1 111 ALA -1.91 0.41 1 112 GLU -3.02 0.24 1 113 VAL 4.60 -0.34 1 115 SER -0.89 0.61 1 116 TYR -5.37 0.15 1 118 PHE -3.56 0.84 1 120 ILE 0.09 -0.02 1 121 LEU -0.83 0.17 1 122 LEU 2.09 0.15 1 124 ASP -0.22 -0.32 1 125 ARG -3.18 0.14 1 126 LEU -2.43 0.04 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27458_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -8.41 _LACS_plot.Line_1_terminator_val_y_1 -2.91 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.07 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.08 _LACS_plot.Line_2_terminator_val_x_2 7.37 _LACS_plot.Line_2_terminator_val_y_2 1.48 _LACS_plot.Y_axis_chem_shift_offset 0.52 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 108 THR 6.14 -1.01 0 46 GLU -0.36 3.53 0 10 VAL -0.06 -1.34 1 11 GLU -3.92 -0.10 1 17 LEU -3.90 -1.65 1 18 ALA 0.58 -0.56 1 19 VAL -3.87 -1.13 1 20 ALA 2.33 0.09 1 23 HIS 1.65 0.97 1 28 PHE 0.23 0.19 1 29 TYR -0.59 -3.12 1 30 LEU -3.57 -0.20 1 31 THR -3.37 0.95 1 32 ALA 2.42 -1.00 1 33 ASP -0.52 0.37 1 34 MET 2.21 -0.04 1 35 PHE 3.56 0.37 1 40 VAL -7.31 -3.40 1 41 GLN -5.15 -1.97 1 42 LEU -4.14 -4.03 1 43 ALA -4.35 -1.37 1 47 LEU -0.52 1.66 1 48 SER 7.38 2.47 1 49 THR 1.07 0.64 1 50 LEU -1.16 -0.25 1 51 VAL 5.18 1.94 1 55 VAL 0.73 -0.33 1 56 ALA -4.65 -1.52 1 59 HIS -1.80 -2.51 1 60 THR -5.01 -1.76 1 63 VAL -6.72 -1.83 1 65 GLU -8.41 -3.20 1 66 LEU -3.92 -0.30 1 67 TYR -4.15 -1.18 1 68 LEU -3.95 -5.05 1 69 LEU -5.21 -2.85 1 70 VAL -5.82 -3.70 1 73 ASN -3.15 0.16 1 74 LYS 3.62 1.24 1 77 ALA -4.76 -3.37 1 78 ARG -5.95 -0.26 1 79 ILE -5.17 -3.66 1 80 GLU -5.84 -0.99 1 81 VAL -2.60 -0.48 1 82 GLN -1.60 -1.21 1 83 LEU -4.04 -1.42 1 84 ASP 2.73 -0.47 1 86 ARG -3.00 -1.82 1 87 ARG -2.16 -1.07 1 88 HIS -4.75 -0.02 1 89 GLU -2.78 -1.39 1 90 LEU -4.72 -3.65 1 91 LEU -5.33 -0.84 1 94 ALA -5.56 -2.79 1 95 VAL -6.02 -2.25 1 96 MET -7.23 -2.73 1 97 ARG -0.37 -3.22 1 100 ALA 1.89 0.91 1 102 SER 1.58 1.01 1 104 HIS -3.39 -1.46 1 106 PHE -6.10 -1.89 1 107 LEU -6.00 -2.39 1 109 LEU 0.71 -0.72 1 110 GLU -4.26 -2.56 1 111 ALA -1.91 -3.48 1 112 GLU -3.02 -0.31 1 113 VAL 4.60 0.88 1 115 SER -0.89 -1.40 1 116 TYR -5.37 -1.33 1 118 PHE -3.56 -1.58 1 120 ILE 0.09 -1.67 1 121 LEU -0.83 -0.39 1 122 LEU 2.09 -1.74 1 124 ASP -0.22 -1.14 1 125 ARG -3.18 -2.28 1 stop_ save_