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 bmr5334_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -4.18 _LACS_plot.Line_1_terminator_val_y_1 -2.50 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.48 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.16 _LACS_plot.Line_2_terminator_val_x_2 6.46 _LACS_plot.Line_2_terminator_val_y_2 5.03 _LACS_plot.Y_axis_chem_shift_offset -0.25 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 109 LEU -4.18 -6.07 0 11 ASN -0.19 0.01 1 12 HIS -0.03 0.95 1 13 ARG -0.02 0.02 1 15 TRP -0.98 -2.49 1 16 GLN -3.70 -1.87 1 17 MET 5.50 3.34 1 18 LYS 4.27 3.02 1 19 ASP 1.97 2.90 1 20 LEU 5.31 2.85 1 21 GLN 4.35 3.27 1 22 ALA 3.83 2.87 1 23 ILE 4.62 4.37 1 24 LYS 3.88 3.75 1 25 GLN 4.09 3.16 1 26 GLU 2.39 2.62 1 27 VAL 1.86 0.71 1 28 SER 3.56 2.44 1 29 GLN 0.32 -0.39 1 30 ALA -2.68 -1.15 1 31 ALA 0.20 0.01 1 34 SER 2.34 1.84 1 36 GLN 4.69 3.61 1 37 PHE 2.32 3.36 1 38 MET 3.95 0.00 1 39 GLN 4.64 3.71 1 40 THR 6.36 5.31 1 41 ILE 4.94 2.97 1 42 ARG 5.82 5.02 1 43 LEU 4.08 2.99 1 44 ALA 4.29 2.92 1 45 VAL 6.07 4.78 1 46 GLN 3.76 3.36 1 47 GLN 3.27 3.02 1 48 PHE 0.95 1.68 1 49 ASP 2.58 2.06 1 51 THR -1.50 -0.93 1 52 ALA 4.32 3.66 1 53 LYS 4.15 3.33 1 54 ALA 3.32 2.67 1 57 ASP 4.47 3.34 1 58 LEU 4.11 3.16 1 59 LEU 3.18 4.07 1 60 GLN 2.63 2.14 1 61 TYR 1.45 2.56 1 62 LEU -2.24 1.46 1 64 SER -2.21 -1.05 1 66 LEU 3.45 3.25 1 67 VAL 6.02 4.91 1 68 ALA 4.62 3.23 1 69 SER 4.48 3.55 1 70 LEU 3.07 2.85 1 71 HIS 4.91 7.21 1 72 HIS 4.33 4.34 1 73 GLN 3.62 3.23 1 74 GLN 3.80 1.99 1 75 LEU 4.54 2.82 1 76 ASP 5.20 3.74 1 77 SER 4.57 3.54 1 78 LEU 2.83 2.86 1 79 ILE 5.85 5.21 1 81 GLU 3.16 3.00 1 82 ALA 3.74 2.85 1 83 GLU 2.88 3.01 1 84 THR 4.80 4.06 1 85 ARG 2.36 2.33 1 87 ILE -1.90 -0.54 1 88 THR 3.52 2.98 1 89 SER 2.50 1.86 1 90 TYR -1.85 -1.34 1 91 ASN -3.25 -2.57 1 93 LEU 3.07 1.53 1 94 ALA 0.43 -0.56 1 97 LEU 6.00 4.52 1 98 ARG 3.82 3.21 1 99 VAL 2.80 2.64 1 100 GLN 4.93 5.24 1 101 ALA 1.56 1.24 1 102 ASN 1.25 1.78 1 105 GLN 1.21 0.89 1 106 GLN 0.48 -2.21 1 107 GLN 4.22 4.32 1 110 ARG 6.46 4.77 1 111 ARG 4.35 2.42 1 112 GLU 3.67 2.65 1 114 GLN 4.80 3.54 1 115 GLN 4.52 3.42 1 116 LEU 3.77 3.16 1 117 TRP 5.15 5.16 1 118 LEU 2.64 3.27 1 119 ALA 3.24 2.30 1 120 ALA 4.28 1.91 1 121 PHE 3.86 4.56 1 122 ALA 2.15 1.58 1 123 ALA -0.85 -0.71 1 124 LEU 3.00 1.47 1 127 SER 0.18 0.41 1 128 ALA -0.34 0.09 1 129 LYS -0.21 -0.05 1 130 ASP -0.67 0.13 1 132 SER 1.00 0.90 1 133 TRP -0.61 -0.52 1 134 ALA 0.06 1.53 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5334_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -4.18 _LACS_plot.Line_1_terminator_val_y_1 1.68 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.52 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.84 _LACS_plot.Line_2_terminator_val_x_2 6.46 _LACS_plot.Line_2_terminator_val_y_2 -1.43 _LACS_plot.Y_axis_chem_shift_offset -0.25 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 109 LEU -4.18 -1.89 0 11 ASN -0.19 0.20 1 12 HIS -0.03 0.98 1 13 ARG -0.02 0.04 1 15 TRP -0.98 -1.51 1 16 GLN -3.70 1.83 1 17 MET 5.50 -2.16 1 18 LYS 4.27 -1.25 1 19 ASP 1.97 0.93 1 20 LEU 5.31 -2.46 1 21 GLN 4.35 -1.08 1 22 ALA 3.83 -0.96 1 23 ILE 4.62 -0.25 1 24 LYS 3.88 -0.13 1 25 GLN 4.09 -0.93 1 26 GLU 2.39 0.23 1 27 VAL 1.86 -1.15 1 28 SER 3.56 -1.12 1 29 GLN 0.32 -0.71 1 30 ALA -2.68 1.53 1 31 ALA 0.20 -0.19 1 34 SER 2.34 -0.50 1 36 GLN 4.69 -1.08 1 37 PHE 2.32 1.04 1 38 MET 3.95 -3.95 1 39 GLN 4.64 -0.93 1 40 THR 6.36 -1.05 1 41 ILE 4.94 -1.97 1 42 ARG 5.82 -0.80 1 43 LEU 4.08 -1.09 1 44 ALA 4.29 -1.37 1 45 VAL 6.07 -1.29 1 46 GLN 3.76 -0.40 1 47 GLN 3.27 -0.25 1 48 PHE 0.95 0.73 1 49 ASP 2.58 -0.52 1 51 THR -1.50 0.57 1 52 ALA 4.32 -0.66 1 53 LYS 4.15 -0.82 1 54 ALA 3.32 -0.65 1 57 ASP 4.47 -1.13 1 58 LEU 4.11 -0.95 1 59 LEU 3.18 0.89 1 60 GLN 2.63 -0.49 1 61 TYR 1.45 1.11 1 62 LEU -2.24 3.70 1 64 SER -2.21 1.16 1 66 LEU 3.45 -0.20 1 67 VAL 6.02 -1.11 1 68 ALA 4.62 -1.39 1 69 SER 4.48 -0.93 1 70 LEU 3.07 -0.22 1 71 HIS 4.91 2.30 1 72 HIS 4.33 0.01 1 73 GLN 3.62 -0.39 1 74 GLN 3.80 -1.81 1 75 LEU 4.54 -1.72 1 76 ASP 5.20 -1.46 1 77 SER 4.57 -1.03 1 78 LEU 2.83 0.03 1 79 ILE 5.85 -0.64 1 81 GLU 3.16 -0.16 1 82 ALA 3.74 -0.89 1 83 GLU 2.88 0.13 1 84 THR 4.80 -0.74 1 85 ARG 2.36 -0.03 1 87 ILE -1.90 1.36 1 88 THR 3.52 -0.54 1 89 SER 2.50 -0.64 1 90 TYR -1.85 0.51 1 91 ASN -3.25 0.68 1 93 LEU 3.07 -1.54 1 94 ALA 0.43 -0.99 1 97 LEU 6.00 -1.48 1 98 ARG 3.82 -0.61 1 99 VAL 2.80 -0.16 1 100 GLN 4.93 0.31 1 101 ALA 1.56 -0.32 1 102 ASN 1.25 0.53 1 105 GLN 1.21 -0.32 1 106 GLN 0.48 -2.69 1 107 GLN 4.22 0.10 1 110 ARG 6.46 -1.69 1 111 ARG 4.35 -1.93 1 112 GLU 3.67 -1.02 1 114 GLN 4.80 -1.26 1 115 GLN 4.52 -1.10 1 116 LEU 3.77 -0.61 1 117 TRP 5.15 0.01 1 118 LEU 2.64 0.63 1 119 ALA 3.24 -0.94 1 120 ALA 4.28 -2.37 1 121 PHE 3.86 0.70 1 122 ALA 2.15 -0.57 1 123 ALA -0.85 0.14 1 124 LEU 3.00 -1.53 1 127 SER 0.18 0.23 1 128 ALA -0.34 0.43 1 129 LYS -0.21 0.16 1 130 ASP -0.67 0.80 1 132 SER 1.00 -0.10 1 133 TRP -0.61 0.09 1 134 ALA 0.06 1.47 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5334_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -4.18 _LACS_plot.Line_1_terminator_val_y_1 0.06 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.30 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.06 _LACS_plot.Line_2_terminator_val_x_2 6.46 _LACS_plot.Line_2_terminator_val_y_2 -0.58 _LACS_plot.Y_axis_chem_shift_offset 0.19 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 71 HIS 4.91 -1.40 0 51 THR -1.50 0.81 0 12 HIS -0.03 -0.24 1 15 TRP -0.98 -0.41 1 16 GLN -3.70 0.25 1 17 MET 5.50 -0.48 1 18 LYS 4.27 -0.31 1 19 ASP 1.97 -0.23 1 20 LEU 5.31 -1.03 1 21 GLN 4.35 -0.32 1 22 ALA 3.83 -0.24 1 23 ILE 4.62 -0.69 1 24 LYS 3.88 -0.68 1 25 GLN 4.09 -0.39 1 26 GLU 2.39 -0.33 1 27 VAL 1.86 -0.02 1 28 SER 3.56 -0.43 1 29 GLN 0.32 -0.01 1 30 ALA -2.68 0.09 1 36 GLN 4.69 -0.37 1 37 PHE 2.32 -0.83 1 38 MET 3.95 -0.23 1 39 GLN 4.64 -0.37 1 40 THR 6.36 -0.58 1 41 ILE 4.94 -0.40 1 43 LEU 4.08 -0.26 1 44 ALA 4.29 0.08 1 45 VAL 6.07 -0.75 1 46 GLN 3.76 -0.43 1 47 GLN 3.27 -0.56 1 48 PHE 0.95 -0.27 1 52 ALA 4.32 -0.56 1 53 LYS 4.15 -0.42 1 57 ASP 4.47 -0.31 1 58 LEU 4.11 -0.61 1 59 LEU 3.18 -0.37 1 60 GLN 2.63 -0.27 1 61 TYR 1.45 -0.36 1 62 LEU -2.24 -0.30 1 64 SER -2.21 -0.50 1 66 LEU 3.45 -0.24 1 67 VAL 6.02 -0.74 1 68 ALA 4.62 -0.47 1 69 SER 4.48 -0.26 1 70 LEU 3.07 -0.33 1 72 HIS 4.33 -0.65 1 73 GLN 3.62 -0.38 1 74 GLN 3.80 -0.33 1 76 ASP 5.20 -0.36 1 77 SER 4.57 -0.28 1 78 LEU 2.83 -0.37 1 79 ILE 5.85 -0.72 1 81 GLU 3.16 -0.39 1 82 ALA 3.74 -0.37 1 83 GLU 2.88 -0.56 1 84 THR 4.80 -0.39 1 85 ARG 2.36 -0.22 1 87 ILE -1.90 0.00 1 88 THR 3.52 -0.44 1 90 TYR -1.85 -0.01 1 93 LEU 3.07 -0.34 1 94 ALA 0.43 0.01 1 97 LEU 6.00 -0.64 1 98 ARG 3.82 -1.08 1 99 VAL 2.80 -0.37 1 100 GLN 4.93 -0.33 1 101 ALA 1.56 -0.56 1 105 GLN 1.21 -0.06 1 106 GLN 0.48 0.36 1 107 GLN 4.22 -0.65 1 109 LEU -4.18 -0.33 1 110 ARG 6.46 -0.44 1 111 ARG 4.35 -0.39 1 112 GLU 3.67 -0.09 1 114 GLN 4.80 -0.62 1 116 LEU 3.77 -0.41 1 117 TRP 5.15 -0.93 1 118 LEU 2.64 -0.08 1 119 ALA 3.24 -0.28 1 120 ALA 4.28 -0.73 1 121 PHE 3.86 -0.72 1 122 ALA 2.15 -0.12 1 123 ALA -0.85 -0.08 1 127 SER 0.18 -0.50 1 128 ALA -0.34 -0.09 1 129 LYS -0.21 -0.22 1 132 SER 1.00 -0.25 1 133 TRP -0.61 -0.08 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5334_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -4.18 _LACS_plot.Line_1_terminator_val_y_1 -1.35 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.98 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.49 _LACS_plot.Line_2_terminator_val_x_2 6.46 _LACS_plot.Line_2_terminator_val_y_2 2.61 _LACS_plot.Y_axis_chem_shift_offset -0.24 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 16 GLN -3.70 1.66 0 109 LEU -4.18 1.30 0 11 ASN -0.19 -0.44 1 15 TRP -0.98 1.43 1 18 LYS 4.27 2.39 1 19 ASP 1.97 1.76 1 20 LEU 5.31 1.08 1 21 GLN 4.35 2.65 1 22 ALA 3.83 2.71 1 23 ILE 4.62 0.96 1 24 LYS 3.88 2.38 1 25 GLN 4.09 2.91 1 26 GLU 2.39 2.51 1 27 VAL 1.86 0.64 1 28 SER 3.56 0.99 1 29 GLN 0.32 -1.13 1 30 ALA -2.68 -1.85 1 36 GLN 4.69 2.29 1 37 PHE 2.32 0.89 1 38 MET 3.95 2.55 1 39 GLN 4.64 2.42 1 41 ILE 4.94 1.27 1 42 ARG 5.82 3.28 1 43 LEU 4.08 1.35 1 44 ALA 4.29 2.33 1 45 VAL 6.07 2.38 1 46 GLN 3.76 1.87 1 47 GLN 3.27 1.94 1 48 PHE 0.95 -1.00 1 51 THR -1.50 -0.64 1 52 ALA 4.32 3.20 1 53 LYS 4.15 1.77 1 54 ALA 3.32 3.12 1 57 ASP 4.47 3.25 1 58 LEU 4.11 0.25 1 59 LEU 3.18 0.62 1 60 GLN 2.63 0.94 1 61 TYR 1.45 1.21 1 62 LEU -2.24 0.81 1 64 SER -2.21 -0.15 1 66 LEU 3.45 1.47 1 67 VAL 6.02 1.36 1 68 ALA 4.62 2.11 1 69 SER 4.48 2.63 1 70 LEU 3.07 2.24 1 71 HIS 4.91 2.46 1 72 HIS 4.33 2.87 1 73 GLN 3.62 2.91 1 74 GLN 3.80 2.21 1 75 LEU 4.54 0.24 1 76 ASP 5.20 3.54 1 77 SER 4.57 2.28 1 78 LEU 2.83 3.22 1 79 ILE 5.85 0.92 1 81 GLU 3.16 2.08 1 82 ALA 3.74 2.24 1 83 GLU 2.88 3.06 1 84 THR 4.80 1.16 1 85 ARG 2.36 0.84 1 87 ILE -1.90 -0.04 1 88 THR 3.52 0.42 1 89 SER 2.50 -1.25 1 90 TYR -1.85 -2.57 1 93 LEU 3.07 0.77 1 94 ALA 0.43 -1.35 1 97 LEU 6.00 -0.18 1 98 ARG 3.82 -0.64 1 99 VAL 2.80 3.72 1 100 GLN 4.93 1.79 1 101 ALA 1.56 -0.08 1 105 GLN 1.21 1.13 1 106 GLN 0.48 -0.77 1 107 GLN 4.22 1.50 1 110 ARG 6.46 2.69 1 111 ARG 4.35 2.92 1 112 GLU 3.67 2.58 1 114 GLN 4.80 2.31 1 115 GLN 4.52 -0.87 1 116 LEU 3.77 -0.61 1 117 TRP 5.15 3.30 1 118 LEU 2.64 1.80 1 119 ALA 3.24 2.88 1 120 ALA 4.28 -0.05 1 121 PHE 3.86 1.35 1 122 ALA 2.15 -0.09 1 123 ALA -0.85 -0.31 1 127 SER 0.18 -0.23 1 128 ALA -0.34 -0.60 1 129 LYS -0.21 -0.73 1 132 SER 1.00 -0.23 1 133 TRP -0.61 -1.33 1 stop_ save_