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 bmr10333_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.09 _LACS_plot.Line_1_terminator_val_y_1 -2.35 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.14 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.35 _LACS_plot.Line_2_terminator_val_x_2 6.17 _LACS_plot.Line_2_terminator_val_y_2 3.70 _LACS_plot.Y_axis_chem_shift_offset 0.26 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 108 HIS 0.13 3.92 0 12 GLU -0.45 -0.04 1 13 ARG -0.57 0.19 1 14 GLN -2.53 -1.24 1 15 LEU 3.06 2.61 1 16 SER -4.24 -3.05 1 18 GLU 3.03 2.92 1 19 LYS -0.28 0.56 1 20 SER 4.10 4.22 1 21 GLU -4.79 -0.97 1 22 ILE -2.15 -0.27 1 23 TRP -2.86 -0.15 1 27 LEU -0.63 -1.56 1 28 LYS -1.30 -0.40 1 29 ALA 0.75 1.05 1 30 ASP 0.65 -0.33 1 31 VAL -0.43 -0.18 1 32 VAL 0.06 -0.35 1 35 ALA -1.82 -1.17 1 36 ARG -4.26 -1.90 1 37 TYR -5.04 -2.26 1 38 PHE -1.09 -1.47 1 39 TYR -3.74 -1.82 1 40 ILE -5.29 -1.40 1 41 GLN -4.39 -2.04 1 42 ALA 0.36 0.34 1 43 VAL -3.17 -0.36 1 44 ASP -2.31 -0.54 1 45 THR 3.52 2.64 1 46 SER 0.23 0.46 1 48 ASN -1.08 -0.88 1 49 LYS 2.57 1.81 1 50 PHE 1.88 1.79 1 51 THR 0.06 -0.96 1 52 SER -3.44 -2.21 1 53 SER -0.28 -0.33 1 56 GLU 1.61 2.47 1 57 LYS 0.18 -1.10 1 58 VAL 3.86 2.21 1 59 PHE -1.24 -1.21 1 60 GLN -1.96 -0.94 1 61 VAL -2.15 -1.57 1 62 LYS -4.75 -1.17 1 63 VAL -1.24 -1.18 1 64 SER -4.13 -1.66 1 65 ALA -3.13 -1.77 1 67 GLU 2.09 0.84 1 68 GLU -2.89 -1.80 1 69 GLN 2.59 2.19 1 70 PHE -1.76 -1.00 1 71 THR 1.60 1.29 1 72 ARG 1.53 -0.42 1 73 VAL -4.96 -2.48 1 75 VAL -2.74 -0.64 1 76 GLN -3.93 -0.84 1 77 VAL 0.34 -0.04 1 78 LEU -1.55 -0.86 1 79 ASP -1.29 -0.45 1 80 ARG 3.80 1.97 1 81 LYS 6.17 1.52 1 82 ASP -1.94 -1.97 1 84 SER -6.29 -1.63 1 85 PHE -4.85 -1.17 1 86 ILE -4.75 -1.80 1 87 VAL -1.18 -2.26 1 88 ARG -4.09 -1.70 1 89 TYR -5.83 -2.85 1 90 ARG -4.26 -1.90 1 91 MET 0.16 -0.86 1 92 TYR 0.38 -0.20 1 93 ALA -3.79 -1.64 1 94 SER -0.35 -0.71 1 95 TYR -3.83 -1.22 1 96 LYS 1.92 2.16 1 97 ASN -3.53 -0.62 1 98 LEU -7.08 -1.60 1 99 LYS -3.43 -1.40 1 100 VAL -1.24 -0.80 1 101 GLU -6.56 -2.63 1 102 ILE -2.04 0.74 1 103 LYS -7.09 -1.73 1 104 PHE -4.47 -1.64 1 105 GLN 4.11 0.75 1 107 GLN -3.36 -1.80 1 109 VAL -2.42 -2.05 1 110 ALA 4.35 1.91 1 111 LYS 0.85 -1.63 1 112 SER 0.41 0.26 1 114 TYR -0.91 -0.55 1 115 ILE 0.33 -1.40 1 116 LEU -1.79 -1.09 1 117 LYS -0.80 -0.05 1 119 SER -1.50 -0.28 1 123 SER -0.07 0.17 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr10333_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.09 _LACS_plot.Line_1_terminator_val_y_1 4.74 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.86 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.65 _LACS_plot.Line_2_terminator_val_x_2 6.17 _LACS_plot.Line_2_terminator_val_y_2 -2.47 _LACS_plot.Y_axis_chem_shift_offset 0.26 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 108 HIS 0.13 3.79 0 12 GLU -0.45 0.41 1 13 ARG -0.57 0.76 1 14 GLN -2.53 1.29 1 15 LEU 3.06 -0.45 1 16 SER -4.24 1.19 1 18 GLU 3.03 -0.11 1 19 LYS -0.28 0.84 1 20 SER 4.10 0.12 1 21 GLU -4.79 3.82 1 22 ILE -2.15 1.88 1 23 TRP -2.86 2.71 1 27 LEU -0.63 -0.93 1 28 LYS -1.30 0.90 1 29 ALA 0.75 0.30 1 30 ASP 0.65 -0.98 1 31 VAL -0.43 0.25 1 32 VAL 0.06 -0.41 1 35 ALA -1.82 0.65 1 36 ARG -4.26 2.36 1 37 TYR -5.04 2.78 1 38 PHE -1.09 -0.38 1 39 TYR -3.74 1.92 1 40 ILE -5.29 3.89 1 41 GLN -4.39 2.35 1 42 ALA 0.36 -0.02 1 43 VAL -3.17 2.81 1 44 ASP -2.31 1.77 1 45 THR 3.52 -0.88 1 46 SER 0.23 0.23 1 48 ASN -1.08 0.20 1 49 LYS 2.57 -0.76 1 50 PHE 1.88 -0.09 1 51 THR 0.06 -1.02 1 52 SER -3.44 1.23 1 53 SER -0.28 -0.05 1 56 GLU 1.61 0.86 1 57 LYS 0.18 -1.28 1 58 VAL 3.86 -1.65 1 59 PHE -1.24 0.03 1 60 GLN -1.96 1.02 1 61 VAL -2.15 0.58 1 62 LYS -4.75 3.58 1 63 VAL -1.24 0.06 1 64 SER -4.13 2.47 1 65 ALA -3.13 1.36 1 67 GLU 2.09 -1.25 1 68 GLU -2.89 1.09 1 69 GLN 2.59 -0.40 1 70 PHE -1.76 0.76 1 71 THR 1.60 -0.31 1 72 ARG 1.53 -1.95 1 73 VAL -4.96 2.48 1 75 VAL -2.74 2.10 1 76 GLN -3.93 3.09 1 77 VAL 0.34 -0.38 1 78 LEU -1.55 0.69 1 79 ASP -1.29 0.84 1 80 ARG 3.80 -1.83 1 81 LYS 6.17 -4.65 1 82 ASP -1.94 -0.03 1 84 SER -6.29 4.66 1 85 PHE -4.85 3.68 1 86 ILE -4.75 2.95 1 87 VAL -1.18 -1.08 1 88 ARG -4.09 2.39 1 89 TYR -5.83 2.98 1 90 ARG -4.26 2.36 1 91 MET 0.16 -1.02 1 92 TYR 0.38 -0.58 1 93 ALA -3.79 2.15 1 94 SER -0.35 -0.36 1 95 TYR -3.83 2.61 1 96 LYS 1.92 0.24 1 97 ASN -3.53 2.91 1 98 LEU -7.08 5.48 1 99 LYS -3.43 2.03 1 100 VAL -1.24 0.44 1 101 GLU -6.56 3.93 1 102 ILE -2.04 2.78 1 103 LYS -7.09 5.36 1 104 PHE -4.47 2.83 1 105 GLN 4.11 -3.36 1 107 GLN -3.36 1.56 1 109 VAL -2.42 0.37 1 110 ALA 4.35 -2.44 1 111 LYS 0.85 -2.48 1 112 SER 0.41 -0.15 1 114 TYR -0.91 0.36 1 115 ILE 0.33 -1.73 1 116 LEU -1.79 0.70 1 117 LYS -0.80 0.75 1 119 SER -1.50 1.22 1 123 SER -0.07 0.24 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr10333_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.09 _LACS_plot.Line_1_terminator_val_y_1 0.90 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.09 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.34 _LACS_plot.Line_2_terminator_val_x_2 6.17 _LACS_plot.Line_2_terminator_val_y_2 -0.55 _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 81 LYS 6.17 -0.64 0 22 ILE -2.15 1.22 0 84 SER -6.29 1.56 0 112 SER 0.41 -0.85 0 12 GLU -0.45 -0.08 1 13 ARG -0.57 -0.07 1 14 GLN -2.53 0.34 1 15 LEU 3.06 -0.34 1 16 SER -4.24 0.36 1 18 GLU 3.03 0.16 1 19 LYS -0.28 0.04 1 20 SER 4.10 0.09 1 21 GLU -4.79 0.48 1 23 TRP -2.86 0.37 1 27 LEU -0.63 -0.10 1 28 LYS -1.30 0.11 1 29 ALA 0.75 -0.09 1 30 ASP 0.65 -0.10 1 31 VAL -0.43 0.03 1 32 VAL 0.06 0.27 1 35 ALA -1.82 0.47 1 36 ARG -4.26 0.53 1 37 TYR -5.04 1.29 1 38 PHE -1.09 -0.48 1 39 TYR -3.74 0.74 1 40 ILE -5.29 0.88 1 41 GLN -4.39 0.57 1 42 ALA 0.36 0.29 1 43 VAL -3.17 0.54 1 44 ASP -2.31 0.83 1 45 THR 3.52 -0.33 1 46 SER 0.23 0.23 1 48 ASN -1.08 0.18 1 49 LYS 2.57 0.07 1 50 PHE 1.88 -0.26 1 51 THR 0.06 0.37 1 52 SER -3.44 0.00 1 53 SER -0.28 -0.14 1 56 GLU 1.61 0.24 1 57 LYS 0.18 0.29 1 58 VAL 3.86 -0.27 1 59 PHE -1.24 0.67 1 60 GLN -1.96 0.17 1 61 VAL -2.15 1.07 1 62 LYS -4.75 0.33 1 63 VAL -1.24 0.72 1 64 SER -4.13 0.20 1 65 ALA -3.13 0.46 1 67 GLU 2.09 -0.25 1 68 GLU -2.89 0.21 1 69 GLN 2.59 -0.32 1 70 PHE -1.76 0.17 1 71 THR 1.60 -0.29 1 72 ARG 1.53 0.21 1 73 VAL -4.96 1.01 1 75 VAL -2.74 0.66 1 76 GLN -3.93 0.39 1 77 VAL 0.34 0.36 1 78 LEU -1.55 0.49 1 79 ASP -1.29 -0.55 1 80 ARG 3.80 -0.14 1 82 ASP -1.94 0.04 1 85 PHE -4.85 0.78 1 86 ILE -4.75 0.71 1 87 VAL -1.18 0.50 1 88 ARG -4.09 0.73 1 89 TYR -5.83 1.26 1 90 ARG -4.26 0.53 1 91 MET 0.16 0.39 1 92 TYR 0.38 0.15 1 93 ALA -3.79 0.04 1 94 SER -0.35 -0.04 1 95 TYR -3.83 0.31 1 96 LYS 1.92 -0.17 1 97 ASN -3.53 0.49 1 98 LEU -7.08 0.53 1 99 LYS -3.43 0.81 1 100 VAL -1.24 0.47 1 101 GLU -6.56 0.88 1 102 ILE -2.04 0.79 1 103 LYS -7.09 1.07 1 104 PHE -4.47 0.39 1 105 GLN 4.11 -0.82 1 107 GLN -3.36 0.28 1 108 HIS 0.13 -0.21 1 109 VAL -2.42 0.06 1 110 ALA 4.35 -0.26 1 111 LYS 0.85 0.14 1 114 TYR -0.91 -0.13 1 115 ILE 0.33 0.46 1 116 LEU -1.79 0.31 1 117 LYS -0.80 0.42 1 119 SER -1.50 0.13 1 123 SER -0.07 -0.01 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr10333_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.09 _LACS_plot.Line_1_terminator_val_y_1 -2.25 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.24 _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 6.17 _LACS_plot.Line_2_terminator_val_y_2 0.55 _LACS_plot.Y_axis_chem_shift_offset 0.71 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 53 SER -0.28 3.93 0 38 PHE -1.09 -6.18 0 12 GLU -0.45 -0.15 1 13 ARG -0.57 -0.81 1 14 GLN -2.53 -1.34 1 15 LEU 3.06 -2.38 1 16 SER -4.24 2.09 1 18 GLU 3.03 2.34 1 19 LYS -0.28 0.55 1 20 SER 4.10 -3.19 1 21 GLU -4.79 -0.94 1 22 ILE -2.15 -1.19 1 23 TRP -2.86 -3.50 1 27 LEU -0.63 -2.35 1 28 LYS -1.30 0.09 1 29 ALA 0.75 -0.69 1 30 ASP 0.65 -0.60 1 31 VAL -0.43 -0.58 1 37 TYR -5.04 -2.44 1 39 TYR -3.74 -1.37 1 40 ILE -5.29 -0.52 1 41 GLN -4.39 -1.15 1 42 ALA 0.36 -0.55 1 43 VAL -3.17 -2.40 1 44 ASP -2.31 1.95 1 45 THR 3.52 1.69 1 46 SER 0.23 -0.53 1 48 ASN -1.08 0.30 1 49 LYS 2.57 1.60 1 50 PHE 1.88 0.51 1 51 THR 0.06 -1.20 1 52 SER -3.44 -2.45 1 56 GLU 1.61 1.57 1 57 LYS 0.18 0.31 1 58 VAL 3.86 -0.46 1 59 PHE -1.24 -0.93 1 60 GLN -1.96 -0.60 1 61 VAL -2.15 -1.94 1 62 LYS -4.75 -1.94 1 63 VAL -1.24 -1.99 1 64 SER -4.13 -3.41 1 65 ALA -3.13 0.08 1 67 GLU 2.09 -0.65 1 68 GLU -2.89 -0.19 1 69 GLN 2.59 0.14 1 70 PHE -1.76 -1.27 1 71 THR 1.60 -0.76 1 72 ARG 1.53 -2.59 1 73 VAL -4.96 -1.99 1 75 VAL -2.74 -1.35 1 76 GLN -3.93 -2.27 1 77 VAL 0.34 -1.26 1 78 LEU -1.55 -2.63 1 79 ASP -1.29 0.84 1 80 ARG 3.80 -0.42 1 81 LYS 6.17 -2.06 1 82 ASP -1.94 -0.31 1 84 SER -6.29 -0.83 1 85 PHE -4.85 -0.76 1 86 ILE -4.75 -3.46 1 87 VAL -1.18 -1.63 1 88 ARG -4.09 -0.87 1 89 TYR -5.83 -3.50 1 90 ARG -4.26 -2.18 1 91 MET 0.16 0.46 1 92 TYR 0.38 -1.75 1 93 ALA -3.79 -2.91 1 96 LYS 1.92 -0.07 1 97 ASN -3.53 -2.19 1 98 LEU -7.08 -3.10 1 99 LYS -3.43 -1.95 1 100 VAL -1.24 -1.81 1 101 GLU -6.56 -1.54 1 102 ILE -2.04 -2.30 1 103 LYS -7.09 -1.63 1 104 PHE -4.47 -1.15 1 105 GLN 4.11 0.19 1 107 GLN -3.36 -0.16 1 108 HIS 0.13 1.34 1 109 VAL -2.42 -1.37 1 110 ALA 4.35 -0.04 1 111 LYS 0.85 -2.64 1 112 SER 0.41 -0.26 1 114 TYR -0.91 -0.97 1 115 ILE 0.33 -0.58 1 116 LEU -1.79 -1.38 1 117 LYS -0.80 0.15 1 123 SER -0.07 -0.72 1 stop_ save_