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 bmr11187_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.09 _LACS_plot.Line_1_terminator_val_y_1 -2.82 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.65 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.34 _LACS_plot.Line_2_terminator_val_x_2 6.40 _LACS_plot.Line_2_terminator_val_y_2 4.82 _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 27 HIS -5.93 0.32 0 10 PHE 1.18 0.35 1 11 THR 0.61 0.73 1 12 ASP 4.18 3.22 1 13 GLN 4.69 3.55 1 14 LYS 3.71 2.37 1 15 ILE 4.79 4.34 1 16 ARG 5.73 4.06 1 17 GLN 3.51 2.68 1 18 ARG 4.07 2.99 1 19 TYR -0.66 -1.02 1 20 ALA 2.49 2.52 1 21 ASP 0.52 -0.13 1 22 LEU -0.30 -0.27 1 25 GLU -4.67 -1.84 1 26 LEU -1.40 -0.46 1 28 ILE -1.71 -0.07 1 29 ILE -6.17 -2.08 1 30 GLU -5.01 -1.74 1 31 LEU -7.14 -1.96 1 32 GLU -3.48 -2.10 1 33 LYS -0.44 1.07 1 34 ASP -2.74 -1.93 1 35 LYS 4.11 2.60 1 36 ASN -0.55 0.28 1 38 LEU -2.84 -0.98 1 40 LEU -5.35 -1.84 1 41 SER -1.08 -0.81 1 42 LEU -5.12 -2.21 1 43 ALA -6.30 -1.68 1 45 ASN -2.05 -0.39 1 46 LYS 3.00 2.61 1 47 ASP -1.05 -1.37 1 48 ARG 2.91 1.56 1 49 SER 1.20 1.23 1 50 ARG -2.66 -1.31 1 51 MET -0.26 -1.14 1 52 SER -4.17 -0.60 1 53 ILE -0.65 -0.70 1 54 PHE -4.88 -1.51 1 55 VAL 2.00 0.72 1 56 VAL -1.79 -1.41 1 58 ILE -2.76 -0.76 1 59 ASN 0.62 0.33 1 61 GLU -0.80 -0.90 1 64 ALA 3.66 2.69 1 65 ALA 1.88 2.17 1 66 ALA 3.32 2.20 1 67 ASP -0.93 2.51 1 69 ARG 1.99 3.17 1 70 MET 0.09 1.65 1 71 ARG -6.19 -1.94 1 72 ILE 3.37 1.78 1 74 ASP 2.30 2.25 1 75 GLU -3.94 -2.77 1 76 LEU 0.36 0.66 1 77 LEU -1.52 0.41 1 78 GLU -5.14 -1.04 1 79 ILE -4.69 -1.59 1 80 ASN 3.30 1.40 1 81 ASN 3.34 1.12 1 82 GLN -1.19 -1.26 1 83 ILE 3.17 2.42 1 84 LEU -0.48 -0.72 1 85 TYR 2.20 2.00 1 87 ARG -2.28 -1.60 1 88 SER -3.52 -1.05 1 89 HIS 3.22 4.13 1 90 GLN 6.40 4.09 1 91 ASN 2.88 2.88 1 92 ALA 3.10 2.80 1 93 SER 5.55 4.32 1 94 ALA 3.84 2.76 1 95 ILE 4.28 3.29 1 96 ILE 5.79 5.21 1 97 LYS 4.13 3.58 1 98 THR 0.38 0.08 1 99 ALA 1.21 0.79 1 101 SER 4.40 3.80 1 102 LYS 0.32 -0.38 1 103 VAL -2.73 -1.50 1 104 LYS -1.82 -0.90 1 105 LEU -4.42 -0.80 1 106 VAL -2.44 -1.83 1 107 PHE -6.29 -2.65 1 108 ILE -8.09 -3.36 1 109 ARG -2.66 -0.42 1 110 ASN -3.46 -1.14 1 111 GLU 3.09 2.71 1 112 ASP 0.34 0.94 1 113 ALA 1.59 2.86 1 114 VAL 3.60 2.09 1 115 ASN 0.85 0.92 1 116 GLN -0.74 -0.04 1 117 MET 0.10 0.67 1 118 ALA -0.17 -0.52 1 119 SER -0.71 -0.35 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr11187_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.09 _LACS_plot.Line_1_terminator_val_y_1 5.27 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.35 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.66 _LACS_plot.Line_2_terminator_val_x_2 6.40 _LACS_plot.Line_2_terminator_val_y_2 -1.58 _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 27 HIS -5.93 6.25 0 10 PHE 1.18 -0.83 1 11 THR 0.61 0.12 1 12 ASP 4.18 -0.96 1 13 GLN 4.69 -1.14 1 14 LYS 3.71 -1.34 1 15 ILE 4.79 -0.45 1 16 ARG 5.73 -1.67 1 17 GLN 3.51 -0.83 1 18 ARG 4.07 -1.08 1 19 TYR -0.66 -0.36 1 20 ALA 2.49 0.03 1 21 ASP 0.52 -0.65 1 22 LEU -0.30 0.03 1 25 GLU -4.67 2.83 1 26 LEU -1.40 0.94 1 28 ILE -1.71 1.64 1 29 ILE -6.17 4.09 1 30 GLU -5.01 3.27 1 31 LEU -7.14 5.18 1 32 GLU -3.48 1.38 1 33 LYS -0.44 1.51 1 34 ASP -2.74 0.81 1 35 LYS 4.11 -1.51 1 36 ASN -0.55 0.83 1 38 LEU -2.84 1.86 1 40 LEU -5.35 3.51 1 41 SER -1.08 0.27 1 42 LEU -5.12 2.91 1 43 ALA -6.30 4.62 1 45 ASN -2.05 1.66 1 46 LYS 3.00 -0.39 1 47 ASP -1.05 -0.32 1 48 ARG 2.91 -1.35 1 49 SER 1.20 0.03 1 50 ARG -2.66 1.35 1 51 MET -0.26 -0.88 1 52 SER -4.17 3.57 1 53 ILE -0.65 -0.05 1 54 PHE -4.88 3.37 1 55 VAL 2.00 -1.28 1 56 VAL -1.79 0.38 1 58 ILE -2.76 2.00 1 59 ASN 0.62 -0.29 1 61 GLU -0.80 -0.10 1 64 ALA 3.66 -0.97 1 65 ALA 1.88 0.29 1 66 ALA 3.32 -1.12 1 67 ASP -0.93 3.44 1 69 ARG 1.99 1.18 1 70 MET 0.09 1.56 1 71 ARG -6.19 4.25 1 72 ILE 3.37 -1.59 1 74 ASP 2.30 -0.05 1 75 GLU -3.94 1.17 1 76 LEU 0.36 0.30 1 77 LEU -1.52 1.93 1 78 GLU -5.14 4.10 1 79 ILE -4.69 3.10 1 80 ASN 3.30 -1.90 1 81 ASN 3.34 -2.22 1 82 GLN -1.19 -0.07 1 83 ILE 3.17 -0.75 1 84 LEU -0.48 -0.24 1 85 TYR 2.20 -0.20 1 87 ARG -2.28 0.68 1 88 SER -3.52 2.47 1 89 HIS 3.22 0.91 1 90 GLN 6.40 -2.31 1 91 ASN 2.88 0.00 1 92 ALA 3.10 -0.30 1 93 SER 5.55 -1.23 1 94 ALA 3.84 -1.08 1 95 ILE 4.28 -0.99 1 96 ILE 5.79 -0.58 1 97 LYS 4.13 -0.55 1 98 THR 0.38 -0.30 1 99 ALA 1.21 -0.42 1 101 SER 4.40 -0.60 1 102 LYS 0.32 -0.70 1 103 VAL -2.73 1.23 1 104 LYS -1.82 0.92 1 105 LEU -4.42 3.62 1 106 VAL -2.44 0.61 1 107 PHE -6.29 3.64 1 108 ILE -8.09 4.73 1 109 ARG -2.66 2.24 1 110 ASN -3.46 2.32 1 111 GLU 3.09 -0.38 1 112 ASP 0.34 0.60 1 113 ALA 1.59 1.27 1 114 VAL 3.60 -1.51 1 115 ASN 0.85 0.07 1 116 GLN -0.74 0.70 1 117 MET 0.10 0.57 1 118 ALA -0.17 -0.35 1 119 SER -0.71 0.36 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr11187_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -8.09 _LACS_plot.Line_1_terminator_val_y_1 1.06 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.18 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.31 _LACS_plot.Line_2_terminator_val_x_2 6.40 _LACS_plot.Line_2_terminator_val_y_2 -0.70 _LACS_plot.Y_axis_chem_shift_offset -0.07 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 43 ALA -6.30 -0.70 0 10 PHE 1.18 -0.02 1 11 THR 0.61 -0.11 1 12 ASP 4.18 -0.36 1 13 GLN 4.69 -0.41 1 14 LYS 3.71 -0.37 1 15 ILE 4.79 -0.66 1 16 ARG 5.73 -0.54 1 17 GLN 3.51 -0.34 1 18 ARG 4.07 -0.55 1 19 TYR -0.66 0.29 1 20 ALA 2.49 -0.21 1 21 ASP 0.52 -0.01 1 22 LEU -0.30 -0.03 1 25 GLU -4.67 0.20 1 26 LEU -1.40 0.27 1 27 HIS -5.93 -0.36 1 28 ILE -1.71 0.72 1 29 ILE -6.17 0.86 1 30 GLU -5.01 1.10 1 31 LEU -7.14 0.40 1 32 GLU -3.48 0.77 1 33 LYS -0.44 -0.17 1 34 ASP -2.74 0.23 1 35 LYS 4.11 -0.21 1 36 ASN -0.55 0.16 1 38 LEU -2.84 0.16 1 40 LEU -5.35 0.59 1 41 SER -1.08 0.35 1 42 LEU -5.12 1.33 1 45 ASN -2.05 0.23 1 46 LYS 3.00 -0.25 1 47 ASP -1.05 0.05 1 48 ARG 2.91 -0.05 1 49 SER 1.20 -0.08 1 50 ARG -2.66 0.19 1 51 MET -0.26 0.34 1 52 SER -4.17 0.08 1 53 ILE -0.65 0.20 1 54 PHE -4.88 0.86 1 55 VAL 2.00 0.04 1 56 VAL -1.79 0.51 1 58 ILE -2.76 0.24 1 59 ASN 0.62 -0.33 1 61 GLU -0.80 0.11 1 64 ALA 3.66 -0.21 1 65 ALA 1.88 -0.34 1 66 ALA 3.32 -0.32 1 67 ASP -0.93 -0.26 1 69 ARG 1.99 -0.07 1 70 MET 0.09 -0.74 1 71 ARG -6.19 0.05 1 72 ILE 3.37 -0.64 1 74 ASP 2.30 0.03 1 75 GLU -3.94 1.04 1 76 LEU 0.36 -0.10 1 77 LEU -1.52 0.32 1 78 GLU -5.14 0.90 1 79 ILE -4.69 0.80 1 80 ASN 3.30 -0.30 1 81 ASN 3.34 -0.71 1 82 GLN -1.19 0.12 1 83 ILE 3.17 -0.20 1 84 LEU -0.48 -0.14 1 85 TYR 2.20 -0.15 1 87 ARG -2.28 0.28 1 88 SER -3.52 0.27 1 89 HIS 3.22 -0.53 1 90 GLN 6.40 -0.35 1 91 ASN 2.88 -0.28 1 92 ALA 3.10 -0.42 1 93 SER 5.55 -0.43 1 94 ALA 3.84 -0.15 1 95 ILE 4.28 -0.48 1 96 ILE 5.79 -0.80 1 97 LYS 4.13 -0.27 1 98 THR 0.38 -0.07 1 99 ALA 1.21 -0.13 1 101 SER 4.40 -0.53 1 102 LYS 0.32 0.35 1 103 VAL -2.73 0.36 1 104 LYS -1.82 0.68 1 105 LEU -4.42 0.82 1 106 VAL -2.44 0.95 1 107 PHE -6.29 0.98 1 108 ILE -8.09 1.25 1 109 ARG -2.66 0.53 1 110 ASN -3.46 0.42 1 111 GLU 3.09 -0.20 1 112 ASP 0.34 -0.03 1 113 ALA 1.59 -0.45 1 114 VAL 3.60 -0.26 1 115 ASN 0.85 -0.05 1 116 GLN -0.74 0.02 1 117 MET 0.10 -0.29 1 118 ALA -0.17 -0.08 1 119 SER -0.71 -0.07 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr11187_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -8.09 _LACS_plot.Line_1_terminator_val_y_1 -2.83 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.61 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.68 _LACS_plot.Line_2_terminator_val_x_2 6.40 _LACS_plot.Line_2_terminator_val_y_2 2.08 _LACS_plot.Y_axis_chem_shift_offset 0.05 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 107 PHE -6.29 -5.09 0 88 SER -3.52 2.42 0 10 PHE 1.18 0.70 1 11 THR 0.61 0.62 1 12 ASP 4.18 1.48 1 13 GLN 4.69 2.51 1 14 LYS 3.71 3.00 1 15 ILE 4.79 0.88 1 16 ARG 5.73 3.52 1 17 GLN 3.51 2.32 1 18 ARG 4.07 1.21 1 19 TYR -0.66 0.27 1 20 ALA 2.49 -0.07 1 21 ASP 0.52 0.11 1 22 LEU -0.30 -0.74 1 25 GLU -4.67 -1.71 1 26 LEU -1.40 -1.74 1 27 HIS -5.93 -1.17 1 28 ILE -1.71 -0.07 1 29 ILE -6.17 -3.33 1 30 GLU -5.01 -1.41 1 31 LEU -7.14 -3.13 1 32 GLU -3.48 -0.44 1 33 LYS -0.44 0.48 1 34 ASP -2.74 1.92 1 35 LYS 4.11 0.43 1 36 ASN -0.55 0.21 1 40 LEU -5.35 -1.54 1 41 SER -1.08 -1.27 1 42 LEU -5.12 -2.48 1 43 ALA -6.30 -2.49 1 45 ASN -2.05 1.30 1 46 LYS 3.00 0.15 1 47 ASP -1.05 0.39 1 48 ARG 2.91 0.72 1 49 SER 1.20 -0.66 1 50 ARG -2.66 -1.33 1 51 MET -0.26 -0.82 1 52 SER -4.17 -2.15 1 53 ILE -0.65 -2.63 1 54 PHE -4.88 0.22 1 55 VAL 2.00 -1.08 1 56 VAL -1.79 -0.88 1 58 ILE -2.76 -1.34 1 59 ASN 0.62 1.93 1 61 GLU -0.80 0.08 1 64 ALA 3.66 3.47 1 65 ALA 1.88 1.58 1 66 ALA 3.32 1.65 1 67 ASP -0.93 1.53 1 69 ARG 1.99 1.49 1 70 MET 0.09 -1.78 1 71 ARG -6.19 -1.13 1 72 ILE 3.37 1.88 1 74 ASP 2.30 -1.77 1 75 GLU -3.94 0.07 1 76 LEU 0.36 -2.58 1 77 LEU -1.52 0.09 1 78 GLU -5.14 -1.62 1 79 ILE -4.69 -0.81 1 80 ASN 3.30 -1.07 1 81 ASN 3.34 -1.95 1 82 GLN -1.19 -0.83 1 83 ILE 3.17 0.52 1 84 LEU -0.48 -1.88 1 85 TYR 2.20 0.49 1 87 ARG -2.28 -1.55 1 89 HIS 3.22 2.99 1 90 GLN 6.40 3.27 1 91 ASN 2.88 2.00 1 92 ALA 3.10 0.76 1 93 SER 5.55 1.95 1 94 ALA 3.84 2.20 1 95 ILE 4.28 2.54 1 96 ILE 5.79 1.60 1 97 LYS 4.13 1.33 1 98 THR 0.38 -0.17 1 99 ALA 1.21 -0.75 1 101 SER 4.40 -0.79 1 102 LYS 0.32 -1.11 1 103 VAL -2.73 -2.48 1 104 LYS -1.82 -0.99 1 105 LEU -4.42 -3.43 1 106 VAL -2.44 -0.56 1 108 ILE -8.09 -2.64 1 109 ARG -2.66 -2.31 1 110 ASN -3.46 0.92 1 111 GLU 3.09 0.44 1 112 ASP 0.34 1.02 1 113 ALA 1.59 1.73 1 114 VAL 3.60 0.83 1 115 ASN 0.85 0.20 1 116 GLN -0.74 -0.59 1 117 MET 0.10 -0.68 1 118 ALA -0.17 -1.42 1 119 SER -0.71 0.02 1 stop_ save_