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 bmr6606_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.18 _LACS_plot.Line_1_terminator_val_y_1 -2.34 _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 -0.51 _LACS_plot.Line_2_terminator_val_x_2 6.54 _LACS_plot.Line_2_terminator_val_y_2 4.59 _LACS_plot.Y_axis_chem_shift_offset -0.54 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 100 LEU 0.36 -1.61 0 94 HIS 1.55 4.28 0 10 LEU 1.10 1.41 1 11 SER -2.27 -0.40 1 13 TYR 1.10 0.47 1 14 GLN 3.75 2.90 1 15 ASN 1.83 2.26 1 16 VAL -0.19 0.17 1 17 TRP -3.33 -1.34 1 18 THR -2.05 1.24 1 19 ILE -3.11 -0.80 1 20 LYS -2.41 -0.52 1 21 ALA -7.61 -1.50 1 22 ARG -4.70 -1.71 1 23 VAL 2.23 0.46 1 24 SER 0.39 0.61 1 25 TYR -2.98 0.22 1 26 LYS -3.24 -0.20 1 28 GLU -2.51 -0.91 1 29 ILE 2.80 1.70 1 30 LYS -3.67 -1.34 1 31 THR -1.23 0.08 1 32 TRP -2.55 -0.80 1 33 HIS -0.26 1.72 1 34 ASN -1.29 2.57 1 35 GLN 3.78 3.22 1 36 ARG 0.72 0.66 1 38 ASP -2.89 -0.57 1 40 LYS -6.05 -0.96 1 41 LEU -3.76 0.34 1 42 PHE -6.26 -1.51 1 43 ASN -5.13 -0.96 1 44 VAL -6.11 -3.23 1 45 ASN -3.13 -1.66 1 46 PHE -4.30 -1.50 1 47 LEU -5.84 0.13 1 48 ASP -2.31 -0.72 1 49 THR 3.69 3.29 1 50 SER -0.83 1.00 1 52 GLU -7.29 -2.02 1 53 ILE -5.35 -1.22 1 54 ARG -0.65 -1.08 1 55 ALA -8.18 -2.96 1 56 THR -3.34 -0.80 1 57 ALA -7.99 -1.88 1 58 PHE -4.14 -0.58 1 59 ASN -1.54 2.46 1 60 ASP 4.88 3.40 1 61 PHE 5.29 3.82 1 62 ALA 3.85 3.16 1 63 THR 5.35 4.34 1 64 LYS 2.69 3.41 1 65 PHE 6.54 4.36 1 68 ILE 0.18 2.60 1 69 LEU -1.18 0.00 1 70 GLN -3.48 -1.54 1 71 GLU 1.86 2.32 1 73 LYS -1.05 -0.17 1 74 VAL -1.22 -0.69 1 75 TYR -5.15 -0.51 1 76 TYR -1.44 -0.58 1 77 VAL -1.35 0.06 1 78 SER -3.89 -1.10 1 79 LYS 5.86 2.05 1 80 ALA -5.01 -1.42 1 81 LYS -1.60 -0.67 1 82 LEU -1.92 0.09 1 83 GLN -2.79 -0.82 1 85 ALA -2.21 -0.08 1 86 LYS 2.60 2.66 1 88 GLN 3.38 2.15 1 90 THR -0.76 0.18 1 91 ASN 1.86 1.52 1 92 LEU -1.40 -0.40 1 93 THR 0.44 0.38 1 96 TYR -5.22 -0.43 1 97 GLU -7.17 -2.13 1 98 LEU -4.54 -1.53 1 99 ASN -2.87 -0.79 1 101 ASP -3.46 -1.76 1 102 ARG 3.15 3.01 1 103 ASP -0.41 1.06 1 104 THR 3.61 3.00 1 105 VAL -1.25 0.25 1 106 ILE -2.28 -0.74 1 107 GLU -6.69 -1.92 1 108 GLU 1.57 1.75 1 110 PHE 0.23 0.51 1 111 ASP 0.06 0.81 1 112 GLU 0.16 0.74 1 113 SER 0.66 0.99 1 114 ASN 0.05 0.55 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6606_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.18 _LACS_plot.Line_1_terminator_val_y_1 5.84 _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 1.49 _LACS_plot.Line_2_terminator_val_x_2 6.54 _LACS_plot.Line_2_terminator_val_y_2 -1.95 _LACS_plot.Y_axis_chem_shift_offset -0.54 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 100 LEU 0.36 -1.97 0 94 HIS 1.55 2.73 0 10 LEU 1.10 0.31 1 11 SER -2.27 1.87 1 13 TYR 1.10 -0.63 1 14 GLN 3.75 -0.85 1 15 ASN 1.83 0.43 1 16 VAL -0.19 0.36 1 17 TRP -3.33 1.99 1 18 THR -2.05 3.29 1 19 ILE -3.11 2.31 1 20 LYS -2.41 1.89 1 21 ALA -7.61 6.11 1 22 ARG -4.70 2.99 1 23 VAL 2.23 -1.77 1 24 SER 0.39 0.22 1 25 TYR -2.98 3.20 1 26 LYS -3.24 3.04 1 28 GLU -2.51 1.60 1 29 ILE 2.80 -1.10 1 30 LYS -3.67 2.33 1 31 THR -1.23 1.31 1 32 TRP -2.55 1.75 1 33 HIS -0.26 1.98 1 34 ASN -1.29 3.86 1 35 GLN 3.78 -0.56 1 36 ARG 0.72 -0.06 1 38 ASP -2.89 2.32 1 40 LYS -6.05 5.09 1 41 LEU -3.76 4.10 1 42 PHE -6.26 4.75 1 43 ASN -5.13 4.17 1 44 VAL -6.11 2.88 1 45 ASN -3.13 1.47 1 46 PHE -4.30 2.80 1 47 LEU -5.84 5.97 1 48 ASP -2.31 1.59 1 49 THR 3.69 -0.40 1 50 SER -0.83 1.83 1 52 GLU -7.29 5.27 1 53 ILE -5.35 4.13 1 54 ARG -0.65 -0.43 1 55 ALA -8.18 5.22 1 56 THR -3.34 2.54 1 57 ALA -7.99 6.11 1 58 PHE -4.14 3.56 1 59 ASN -1.54 4.00 1 60 ASP 4.88 -1.48 1 61 PHE 5.29 -1.47 1 62 ALA 3.85 -0.69 1 63 THR 5.35 -1.01 1 64 LYS 2.69 0.72 1 65 PHE 6.54 -2.18 1 68 ILE 0.18 2.42 1 69 LEU -1.18 1.18 1 70 GLN -3.48 1.94 1 71 GLU 1.86 0.46 1 73 LYS -1.05 0.88 1 74 VAL -1.22 0.53 1 75 TYR -5.15 4.64 1 76 TYR -1.44 0.86 1 77 VAL -1.35 1.41 1 78 SER -3.89 2.79 1 79 LYS 5.86 -3.81 1 80 ALA -5.01 3.59 1 81 LYS -1.60 0.93 1 82 LEU -1.92 2.01 1 83 GLN -2.79 1.97 1 85 ALA -2.21 2.13 1 86 LYS 2.60 0.06 1 88 GLN 3.38 -1.23 1 90 THR -0.76 0.94 1 91 ASN 1.86 -0.34 1 92 LEU -1.40 1.00 1 93 THR 0.44 -0.06 1 96 TYR -5.22 4.79 1 97 GLU -7.17 5.04 1 98 LEU -4.54 3.01 1 99 ASN -2.87 2.08 1 101 ASP -3.46 1.70 1 102 ARG 3.15 -0.14 1 103 ASP -0.41 1.47 1 104 THR 3.61 -0.61 1 105 VAL -1.25 1.50 1 106 ILE -2.28 1.54 1 107 GLU -6.69 4.77 1 108 GLU 1.57 0.18 1 110 PHE 0.23 0.28 1 111 ASP 0.06 0.75 1 112 GLU 0.16 0.58 1 113 SER 0.66 0.33 1 114 ASN 0.05 0.50 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6606_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -8.18 _LACS_plot.Line_1_terminator_val_y_1 1.00 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.13 _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 6.54 _LACS_plot.Line_2_terminator_val_y_2 -0.64 _LACS_plot.Y_axis_chem_shift_offset -0.10 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 76 TYR -1.44 1.24 0 65 PHE 6.54 -0.11 0 101 ASP -3.46 -0.57 0 10 LEU 1.10 -0.66 1 11 SER -2.27 -0.47 1 13 TYR 1.10 -0.11 1 14 GLN 3.75 0.26 1 15 ASN 1.83 0.30 1 16 VAL -0.19 0.01 1 17 TRP -3.33 -0.01 1 18 THR -2.05 0.84 1 19 ILE -3.11 1.23 1 20 LYS -2.41 0.75 1 21 ALA -7.61 0.74 1 22 ARG -4.70 1.04 1 23 VAL 2.23 0.39 1 24 SER 0.39 0.04 1 25 TYR -2.98 0.09 1 26 LYS -3.24 -0.13 1 28 GLU -2.51 0.15 1 29 ILE 2.80 0.32 1 30 LYS -3.67 0.54 1 31 THR -1.23 0.65 1 32 TRP -2.55 0.37 1 35 GLN 3.78 -0.24 1 36 ARG 0.72 0.01 1 38 ASP -2.89 0.24 1 40 LYS -6.05 1.16 1 41 LEU -3.76 0.95 1 42 PHE -6.26 0.41 1 43 ASN -5.13 0.63 1 44 VAL -6.11 0.39 1 45 ASN -3.13 0.97 1 46 PHE -4.30 0.93 1 47 LEU -5.84 1.03 1 48 ASP -2.31 0.43 1 49 THR 3.69 -0.24 1 50 SER -0.83 0.23 1 52 GLU -7.29 1.40 1 53 ILE -5.35 0.63 1 54 ARG -0.65 0.55 1 55 ALA -8.18 1.26 1 56 THR -3.34 0.81 1 57 ALA -7.99 0.69 1 58 PHE -4.14 0.85 1 59 ASN -1.54 -0.40 1 60 ASP 4.88 -0.32 1 61 PHE 5.29 -0.53 1 62 ALA 3.85 -0.27 1 63 THR 5.35 -0.79 1 64 LYS 2.69 -0.44 1 68 ILE 0.18 -0.10 1 69 LEU -1.18 -0.25 1 70 GLN -3.48 0.25 1 71 GLU 1.86 -0.55 1 73 LYS -1.05 0.26 1 74 VAL -1.22 0.47 1 75 TYR -5.15 0.24 1 77 VAL -1.35 0.66 1 78 SER -3.89 -0.17 1 79 LYS 5.86 -1.00 1 80 ALA -5.01 0.47 1 81 LYS -1.60 0.27 1 82 LEU -1.92 0.72 1 83 GLN -2.79 0.47 1 85 ALA -2.21 -0.24 1 86 LYS 2.60 0.15 1 88 GLN 3.38 -0.25 1 90 THR -0.76 0.01 1 91 ASN 1.86 -0.24 1 92 LEU -1.40 0.42 1 93 THR 0.44 -0.01 1 94 HIS 1.55 -0.65 1 96 TYR -5.22 0.77 1 97 GLU -7.17 0.31 1 98 LEU -4.54 1.01 1 99 ASN -2.87 0.76 1 100 LEU 0.36 0.17 1 102 ARG 3.15 -0.53 1 103 ASP -0.41 -0.29 1 104 THR 3.61 -0.30 1 105 VAL -1.25 0.18 1 106 ILE -2.28 1.08 1 107 GLU -6.69 0.56 1 108 GLU 1.57 -0.46 1 110 PHE 0.23 0.14 1 111 ASP 0.06 -0.04 1 112 GLU 0.16 0.00 1 113 SER 0.66 0.00 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6606_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -8.18 _LACS_plot.Line_1_terminator_val_y_1 -2.30 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.48 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.23 _LACS_plot.Line_2_terminator_val_x_2 6.54 _LACS_plot.Line_2_terminator_val_y_2 0.53 _LACS_plot.Y_axis_chem_shift_offset 0.83 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 33 HIS -0.26 -53.30 0 10 LEU 1.10 -1.90 1 13 TYR 1.10 -0.50 1 14 GLN 3.75 -0.10 1 15 ASN 1.83 -1.10 1 16 VAL -0.19 -5.30 1 17 TRP -3.33 -1.60 1 18 THR -2.05 -0.80 1 19 ILE -3.11 -2.70 1 20 LYS -2.41 -1.80 1 21 ALA -7.61 -2.10 1 22 ARG -4.70 -1.70 1 23 VAL 2.23 -2.70 1 24 SER 0.39 0.50 1 25 TYR -2.98 -3.50 1 26 LYS -3.24 -2.70 1 28 GLU -2.51 0.70 1 29 ILE 2.80 -0.10 1 30 LYS -3.67 -0.60 1 31 THR -1.23 0.90 1 32 TRP -2.55 0.00 1 34 ASN -1.29 -2.40 1 35 GLN 3.78 -1.30 1 36 ARG 0.72 -5.90 1 40 LYS -6.05 -0.90 1 41 LEU -3.76 -3.40 1 42 PHE -6.26 -4.20 1 43 ASN -5.13 -3.10 1 44 VAL -6.11 -3.90 1 45 ASN -3.13 -1.20 1 46 PHE -4.30 -1.40 1 47 LEU -5.84 -1.10 1 48 ASP -2.31 -1.00 1 49 THR 3.69 0.10 1 50 SER -0.83 -0.20 1 52 GLU -7.29 -2.40 1 53 ILE -5.35 -4.80 1 55 ALA -8.18 1.40 1 56 THR -3.34 1.30 1 57 ALA -7.99 -2.50 1 58 PHE -4.14 0.10 1 60 ASP 4.88 2.00 1 61 PHE 5.29 1.50 1 62 ALA 3.85 0.10 1 63 THR 5.35 1.80 1 64 LYS 2.69 2.60 1 65 PHE 6.54 1.20 1 68 ILE 0.18 -1.40 1 69 LEU -1.18 -2.60 1 70 GLN -3.48 -0.50 1 71 GLU 1.86 0.80 1 73 LYS -1.05 -2.60 1 74 VAL -1.22 -2.30 1 75 TYR -5.15 -0.50 1 76 TYR -1.44 0.80 1 78 SER -3.89 -5.00 1 79 LYS 5.86 -1.40 1 80 ALA -5.01 -1.80 1 81 LYS -1.60 -0.20 1 82 LEU -1.92 -0.80 1 85 ALA -2.21 -3.70 1 88 GLN 3.38 -2.40 1 90 THR -0.76 1.30 1 91 ASN 1.86 -0.80 1 92 LEU -1.40 1.10 1 93 THR 0.44 0.30 1 96 TYR -5.22 -3.20 1 97 GLU -7.17 -1.20 1 98 LEU -4.54 -0.30 1 99 ASN -2.87 -0.70 1 100 LEU 0.36 -3.00 1 101 ASP -3.46 -0.70 1 102 ARG 3.15 0.10 1 103 ASP -0.41 -0.60 1 104 THR 3.61 -0.70 1 105 VAL -1.25 -1.50 1 106 ILE -2.28 -0.20 1 107 GLU -6.69 -1.60 1 108 GLU 1.57 -2.10 1 110 PHE 0.23 -1.10 1 111 ASP 0.06 -0.10 1 112 GLU 0.16 -8.40 1 113 SER 0.66 2.10 1 stop_ save_