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 bmr18458_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.33 _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 1.16 _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 5.56 _LACS_plot.Line_2_terminator_val_y_2 4.23 _LACS_plot.Y_axis_chem_shift_offset -0.18 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 94 THR 3.55 1.25 0 82 GLU -5.46 -1.90 0 10 LEU -0.99 -0.56 1 11 PHE 0.24 0.92 1 13 SER -2.35 -0.54 1 14 LEU -1.73 -0.62 1 15 ARG -3.23 -1.46 1 17 HIS 0.23 0.24 1 18 VAL -0.62 -1.19 1 19 VAL -4.35 -2.76 1 21 LEU 1.85 1.37 1 22 ARG 3.70 3.06 1 23 TYR -0.26 0.41 1 24 TYR -0.62 -0.20 1 25 THR 2.90 1.72 1 27 VAL -1.55 -1.54 1 28 VAL -1.19 -0.99 1 29 ASN -1.65 -0.39 1 30 ASN 3.65 3.24 1 31 ASN 2.56 2.50 1 32 GLU -0.29 -0.19 1 33 MET 1.52 0.54 1 34 VAL -3.29 -2.16 1 35 ALA -4.49 -1.57 1 36 LEU -1.49 -0.96 1 37 GLN -1.32 -0.02 1 38 ARG -4.43 -1.94 1 39 ASP 1.70 1.90 1 41 ASN 0.74 1.41 1 42 ASN 0.35 0.89 1 44 TYR 2.70 2.05 1 45 ASP 2.74 2.42 1 46 LYS 4.93 3.96 1 47 ASN 2.81 2.95 1 48 ALA 3.35 2.71 1 49 ILE 2.92 1.98 1 50 LYS 1.17 0.51 1 51 VAL 1.25 -0.09 1 52 ASN -2.02 -1.32 1 53 ASN -0.88 -0.24 1 54 VAL 3.68 2.46 1 55 ASN 0.97 0.65 1 57 ASN 1.48 0.94 1 58 GLN 2.80 2.35 1 59 VAL 3.52 1.94 1 61 HIS 3.37 3.55 1 62 LEU 1.50 1.50 1 63 LYS 3.91 2.61 1 64 LYS 4.33 3.44 1 65 GLU 2.78 2.50 1 66 LEU 3.12 2.18 1 67 ALA 3.58 2.66 1 69 ALA 2.74 2.06 1 70 LEU 3.27 2.26 1 71 ALA 3.49 2.82 1 72 TYR 3.18 3.13 1 73 ILE 5.01 3.23 1 74 MET 3.82 2.73 1 75 ASP 2.19 2.81 1 76 ASN 3.98 3.87 1 77 LYS 5.56 3.94 1 78 LEU 3.09 2.36 1 79 ALA -5.24 -2.18 1 80 GLN -2.82 -1.10 1 81 ILE -1.11 -0.92 1 84 VAL -6.33 -3.17 1 85 VAL 1.66 1.02 1 87 PHE 1.80 1.36 1 89 ALA 2.82 2.23 1 90 ASN 2.62 2.39 1 91 ASN 2.85 2.83 1 92 ALA 0.69 0.86 1 93 PHE -2.38 -0.69 1 95 MET -2.23 -0.04 1 97 LEU -0.14 0.10 1 98 HIS -2.12 -0.35 1 99 MET -0.52 -0.45 1 100 THR -4.30 -2.09 1 101 PHE -1.84 -1.58 1 102 TRP -3.09 -1.86 1 104 LYS -4.20 -2.06 1 105 GLU 3.05 2.56 1 106 GLU 2.65 2.56 1 107 ASN 1.50 1.19 1 108 ARG 4.55 3.39 1 109 LYS 4.23 3.50 1 110 ALA 2.84 2.37 1 111 VAL 5.46 3.96 1 112 SER 4.60 2.95 1 113 ASP 3.18 3.10 1 114 GLN 4.00 3.15 1 115 LEU 3.35 2.62 1 116 LYS 3.11 2.65 1 117 LYS 4.48 3.39 1 118 HIS 1.12 1.72 1 120 PHE -2.33 -1.46 1 121 LYS -0.31 -0.50 1 122 LEU 0.72 0.37 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18458_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.33 _LACS_plot.Line_1_terminator_val_y_1 3.27 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.84 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.77 _LACS_plot.Line_2_terminator_val_x_2 5.56 _LACS_plot.Line_2_terminator_val_y_2 -1.33 _LACS_plot.Y_axis_chem_shift_offset -0.18 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 94 THR 3.55 -2.30 0 82 GLU -5.46 3.56 0 10 LEU -0.99 0.43 1 11 PHE 0.24 0.68 1 13 SER -2.35 1.81 1 14 LEU -1.73 1.11 1 15 ARG -3.23 1.77 1 17 HIS 0.23 0.01 1 18 VAL -0.62 -0.57 1 19 VAL -4.35 1.59 1 21 LEU 1.85 -0.48 1 22 ARG 3.70 -0.64 1 23 TYR -0.26 0.67 1 24 TYR -0.62 0.42 1 25 THR 2.90 -1.18 1 27 VAL -1.55 0.01 1 28 VAL -1.19 0.20 1 29 ASN -1.65 1.26 1 30 ASN 3.65 -0.41 1 31 ASN 2.56 -0.06 1 32 GLU -0.29 0.10 1 33 MET 1.52 -0.98 1 34 VAL -3.29 1.13 1 35 ALA -4.49 2.92 1 36 LEU -1.49 0.53 1 37 GLN -1.32 1.30 1 38 ARG -4.43 2.49 1 39 ASP 1.70 0.20 1 41 ASN 0.74 0.67 1 42 ASN 0.35 0.54 1 44 TYR 2.70 -0.65 1 45 ASP 2.74 -0.32 1 46 LYS 4.93 -0.97 1 47 ASN 2.81 0.14 1 48 ALA 3.35 -0.64 1 49 ILE 2.92 -0.94 1 50 LYS 1.17 -0.66 1 51 VAL 1.25 -1.34 1 52 ASN -2.02 0.70 1 53 ASN -0.88 0.64 1 54 VAL 3.68 -1.22 1 55 ASN 0.97 -0.32 1 57 ASN 1.48 -0.54 1 58 GLN 2.80 -0.45 1 59 VAL 3.52 -1.58 1 61 HIS 3.37 0.18 1 62 LEU 1.50 0.00 1 63 LYS 3.91 -1.30 1 64 LYS 4.33 -0.89 1 65 GLU 2.78 -0.28 1 66 LEU 3.12 -0.94 1 67 ALA 3.58 -0.92 1 69 ALA 2.74 -0.68 1 70 LEU 3.27 -1.01 1 71 ALA 3.49 -0.67 1 72 TYR 3.18 -0.05 1 73 ILE 5.01 -1.78 1 74 MET 3.82 -1.09 1 75 ASP 2.19 0.62 1 76 ASN 3.98 -0.11 1 77 LYS 5.56 -1.62 1 78 LEU 3.09 -0.73 1 79 ALA -5.24 3.06 1 80 GLN -2.82 1.72 1 81 ILE -1.11 0.19 1 84 VAL -6.33 3.16 1 85 VAL 1.66 -0.64 1 87 PHE 1.80 -0.44 1 89 ALA 2.82 -0.59 1 90 ASN 2.62 -0.23 1 91 ASN 2.85 -0.02 1 92 ALA 0.69 0.17 1 93 PHE -2.38 1.69 1 95 MET -2.23 2.19 1 97 LEU -0.14 0.24 1 98 HIS -2.12 1.77 1 99 MET -0.52 0.07 1 100 THR -4.30 2.21 1 101 PHE -1.84 0.26 1 102 TRP -3.09 1.23 1 104 LYS -4.20 2.14 1 105 GLU 3.05 -0.49 1 106 GLU 2.65 -0.09 1 107 ASN 1.50 -0.31 1 108 ARG 4.55 -1.16 1 109 LYS 4.23 -0.73 1 110 ALA 2.84 -0.47 1 111 VAL 5.46 -1.50 1 112 SER 4.60 -1.65 1 113 ASP 3.18 -0.08 1 114 GLN 4.00 -0.85 1 115 LEU 3.35 -0.73 1 116 LYS 3.11 -0.46 1 117 LYS 4.48 -1.09 1 118 HIS 1.12 0.60 1 120 PHE -2.33 0.87 1 121 LYS -0.31 -0.19 1 122 LEU 0.72 -0.35 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18458_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.33 _LACS_plot.Line_1_terminator_val_y_1 0.54 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.23 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.12 _LACS_plot.Line_2_terminator_val_x_2 5.56 _LACS_plot.Line_2_terminator_val_y_2 -0.54 _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 77 LYS 5.56 0.49 0 10 LEU -0.99 0.07 1 11 PHE 0.24 0.25 1 13 SER -2.35 0.77 1 14 LEU -1.73 0.41 1 15 ARG -3.23 0.24 1 17 HIS 0.23 -0.15 1 18 VAL -0.62 -0.05 1 19 VAL -4.35 0.30 1 21 LEU 1.85 0.08 1 22 ARG 3.70 -0.44 1 23 TYR -0.26 -0.05 1 24 TYR -0.62 -0.17 1 25 THR 2.90 -0.38 1 27 VAL -1.55 -0.01 1 28 VAL -1.19 0.13 1 29 ASN -1.65 -0.02 1 30 ASN 3.65 -0.35 1 31 ASN 2.56 -0.20 1 32 GLU -0.29 -0.13 1 33 MET 1.52 -0.37 1 34 VAL -3.29 0.30 1 35 ALA -4.49 0.55 1 36 LEU -1.49 0.31 1 37 GLN -1.32 -0.05 1 38 ARG -4.43 0.34 1 39 ASP 1.70 -0.45 1 41 ASN 0.74 -0.16 1 42 ASN 0.35 -0.40 1 44 TYR 2.70 -0.27 1 45 ASP 2.74 -0.20 1 46 LYS 4.93 -0.42 1 47 ASN 2.81 -0.48 1 48 ALA 3.35 -0.22 1 49 ILE 2.92 -0.35 1 50 LYS 1.17 -0.09 1 51 VAL 1.25 -0.49 1 52 ASN -2.02 0.02 1 53 ASN -0.88 -0.11 1 54 VAL 3.68 -0.47 1 55 ASN 0.97 -0.14 1 57 ASN 1.48 -0.24 1 58 GLN 2.80 -0.18 1 59 VAL 3.52 -0.33 1 61 HIS 3.37 -0.48 1 62 LEU 1.50 -0.02 1 63 LYS 3.91 -0.33 1 64 LYS 4.33 -0.42 1 65 GLU 2.78 -0.36 1 66 LEU 3.12 -0.47 1 67 ALA 3.58 -0.29 1 69 ALA 2.74 -0.08 1 70 LEU 3.27 -0.37 1 71 ALA 3.49 -0.34 1 72 TYR 3.18 -0.44 1 73 ILE 5.01 -0.70 1 74 MET 3.82 -0.41 1 75 ASP 2.19 -0.21 1 76 ASN 3.98 -0.09 1 78 LEU 3.09 -0.43 1 79 ALA -5.24 0.74 1 80 GLN -2.82 0.28 1 81 ILE -1.11 0.56 1 82 GLU -5.46 0.38 1 84 VAL -6.33 0.75 1 85 VAL 1.66 -0.58 1 87 PHE 1.80 -0.17 1 89 ALA 2.82 -0.21 1 90 ASN 2.62 -0.13 1 91 ASN 2.85 -0.35 1 92 ALA 0.69 -0.15 1 93 PHE -2.38 -0.01 1 94 THR 3.55 -0.38 1 95 MET -2.23 -0.04 1 97 LEU -0.14 0.17 1 98 HIS -2.12 0.02 1 99 MET -0.52 0.06 1 100 THR -4.30 -0.10 1 101 PHE -1.84 0.33 1 102 TRP -3.09 0.38 1 104 LYS -4.20 1.18 1 105 GLU 3.05 -0.21 1 106 GLU 2.65 -0.27 1 107 ASN 1.50 -0.08 1 108 ARG 4.55 -0.47 1 109 LYS 4.23 -0.41 1 110 ALA 2.84 -0.26 1 111 VAL 5.46 -0.70 1 112 SER 4.60 -0.34 1 113 ASP 3.18 -0.34 1 114 GLN 4.00 -0.44 1 115 LEU 3.35 -0.33 1 116 LYS 3.11 0.10 1 117 LYS 4.48 -0.32 1 118 HIS 1.12 -0.31 1 120 PHE -2.33 0.11 1 121 LYS -0.31 -0.09 1 122 LEU 0.72 -0.18 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18458_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.33 _LACS_plot.Line_1_terminator_val_y_1 -2.57 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.90 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.81 _LACS_plot.Line_2_terminator_val_x_2 5.56 _LACS_plot.Line_2_terminator_val_y_2 2.41 _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 84 VAL -6.33 -0.56 0 94 THR 3.55 -1.74 0 10 LEU -0.99 -2.34 1 11 PHE 0.24 0.21 1 13 SER -2.35 -0.71 1 14 LEU -1.73 -2.16 1 15 ARG -3.23 -1.27 1 17 HIS 0.23 0.21 1 18 VAL -0.62 -0.80 1 19 VAL -4.35 -0.76 1 21 LEU 1.85 1.11 1 22 ARG 3.70 0.47 1 23 TYR -0.26 -0.59 1 24 TYR -0.62 -1.01 1 25 THR 2.90 0.81 1 27 VAL -1.55 -0.62 1 28 VAL -1.19 -1.17 1 29 ASN -1.65 0.11 1 30 ASN 3.65 1.60 1 31 ASN 2.56 0.86 1 32 GLU -0.29 0.09 1 33 MET 1.52 -0.11 1 34 VAL -3.29 -1.32 1 35 ALA -4.49 -2.34 1 36 LEU -1.49 -1.32 1 37 GLN -1.32 -2.98 1 38 ARG -4.43 -1.48 1 39 ASP 1.70 0.77 1 41 ASN 0.74 -0.99 1 42 ASN 0.35 0.01 1 44 TYR 2.70 0.89 1 45 ASP 2.74 1.77 1 46 LYS 4.93 1.95 1 47 ASN 2.81 1.34 1 48 ALA 3.35 1.67 1 49 ILE 2.92 1.06 1 50 LYS 1.17 0.54 1 51 VAL 1.25 -0.69 1 52 ASN -2.02 -0.76 1 53 ASN -0.88 1.60 1 54 VAL 3.68 1.04 1 55 ASN 0.97 1.49 1 57 ASN 1.48 0.88 1 58 GLN 2.80 2.37 1 59 VAL 3.52 1.75 1 61 HIS 3.37 2.83 1 62 LEU 1.50 0.68 1 63 LYS 3.91 2.14 1 64 LYS 4.33 1.91 1 65 GLU 2.78 2.18 1 66 LEU 3.12 1.61 1 67 ALA 3.58 2.18 1 69 ALA 2.74 1.95 1 70 LEU 3.27 1.76 1 71 ALA 3.49 1.09 1 72 TYR 3.18 2.23 1 73 ILE 5.01 2.01 1 74 MET 3.82 1.56 1 75 ASP 2.19 0.61 1 76 ASN 3.98 2.75 1 77 LYS 5.56 0.80 1 78 LEU 3.09 -0.26 1 79 ALA -5.24 -2.27 1 80 GLN -2.82 -1.34 1 81 ILE -1.11 -1.63 1 82 GLU -5.46 -2.24 1 85 VAL 1.66 -0.32 1 87 PHE 1.80 1.12 1 89 ALA 2.82 1.29 1 90 ASN 2.62 1.34 1 91 ASN 2.85 0.79 1 92 ALA 0.69 -0.88 1 93 PHE -2.38 -1.32 1 95 MET -2.23 -0.99 1 97 LEU -0.14 -2.04 1 98 HIS -2.12 -0.25 1 99 MET -0.52 -1.63 1 100 THR -4.30 -1.29 1 101 PHE -1.84 -0.52 1 102 TRP -3.09 0.43 1 104 LYS -4.20 0.40 1 105 GLU 3.05 2.01 1 106 GLU 2.65 1.50 1 107 ASN 1.50 1.74 1 108 ARG 4.55 1.88 1 109 LYS 4.23 1.96 1 110 ALA 2.84 1.69 1 111 VAL 5.46 2.06 1 112 SER 4.60 1.27 1 113 ASP 3.18 1.90 1 114 GLN 4.00 2.27 1 115 LEU 3.35 1.76 1 116 LYS 3.11 2.34 1 117 LYS 4.48 1.79 1 118 HIS 1.12 1.52 1 120 PHE -2.33 -0.56 1 121 LYS -0.31 0.21 1 122 LEU 0.72 -1.16 1 stop_ save_