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 bmr17551_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.07 _LACS_plot.Line_1_terminator_val_y_1 -3.63 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.71 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.17 _LACS_plot.Line_2_terminator_val_x_2 5.79 _LACS_plot.Line_2_terminator_val_y_2 3.16 _LACS_plot.Y_axis_chem_shift_offset 0.11 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 103 ILE -0.23 -4.47 0 10 SER -1.29 -0.37 1 13 ASN 1.96 0.27 1 14 TYR 4.70 4.90 1 15 ASP 4.31 3.62 1 16 ASP 3.37 2.15 1 17 PHE 3.95 4.14 1 18 VAL 5.80 2.50 1 19 LYS 3.30 2.12 1 20 LYS 3.62 1.15 1 21 ILE 2.34 0.51 1 23 LEU -0.72 -0.18 1 25 ALA 3.69 2.81 1 26 ASP 4.78 1.82 1 27 LYS 3.59 1.82 1 28 ILE 5.73 3.93 1 29 GLU 3.41 1.54 1 30 MET 2.49 2.75 1 32 ARG 2.79 0.89 1 33 ASN 2.32 0.44 1 35 LYS 2.99 -0.62 1 36 ILE 0.57 1.51 1 37 VAL -2.18 -1.36 1 38 THR -1.17 -0.50 1 39 GLU -5.00 -2.37 1 40 VAL -3.16 -2.11 1 41 VAL -0.54 0.32 1 42 GLN -3.22 -2.74 1 43 ASN -1.95 -1.80 1 45 ASN -0.68 -0.88 1 46 ASP -0.46 -0.54 1 47 PHE -5.54 -1.11 1 48 THR 0.58 1.14 1 49 TRP -2.50 -0.21 1 50 THR -1.97 -0.81 1 51 GLN 0.96 0.61 1 52 HIS -1.39 -0.96 1 53 PHE -0.85 0.71 1 57 ARG -0.27 0.22 1 58 THR -0.22 0.32 1 59 THR -0.40 0.36 1 60 THR -1.15 -0.52 1 61 ASN -6.00 -0.91 1 62 SER -2.25 -1.33 1 63 PHE -1.77 -1.91 1 64 THR -2.80 -1.39 1 65 ILE 1.55 -1.80 1 66 ASP 5.61 2.95 1 67 LYS -3.46 -2.30 1 69 ALA -5.49 -2.35 1 70 ASP 0.06 0.01 1 71 MET -8.07 -1.13 1 72 GLU -6.90 -2.81 1 73 THR -2.04 -2.13 1 77 ARG -0.65 -0.65 1 78 LYS -0.38 -0.71 1 79 PHE -2.98 -1.88 1 80 LYS -4.86 -2.21 1 81 ALA -4.71 -1.24 1 82 THR 1.16 -0.16 1 83 VAL 1.68 -0.14 1 84 LYS -3.97 -1.99 1 85 MET -3.65 -1.14 1 86 GLU -4.07 -2.39 1 89 LYS -2.49 -1.84 1 90 ILE 0.26 -0.17 1 91 VAL -3.84 -1.46 1 92 ALA -5.49 -2.64 1 93 ASP -3.90 -0.54 1 94 PHE -1.51 -1.65 1 96 ASN 1.17 0.34 1 97 TYR -0.30 1.41 1 98 HIS -2.74 -0.69 1 99 HIS -5.79 0.10 1 100 THR -5.97 -3.94 1 101 ALA -5.90 -2.18 1 104 SER -2.41 -2.78 1 107 LYS -3.37 -1.96 1 108 LEU -1.23 -0.83 1 109 VAL -0.48 -0.66 1 111 ILE -1.77 -1.54 1 112 SER -2.77 -2.54 1 113 THR -2.02 -1.44 1 114 SER -1.88 -0.88 1 115 SER 2.06 0.12 1 117 VAL 0.41 -0.25 1 118 VAL -0.57 -0.97 1 119 TYR -4.45 -3.04 1 120 LYS -5.42 -2.51 1 122 THR 0.72 0.38 1 123 SER -2.63 -0.73 1 124 LYS -2.15 -1.76 1 125 LYS 0.74 0.55 1 126 ILE -0.84 -1.03 1 127 ALA -1.55 -0.94 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17551_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.07 _LACS_plot.Line_1_terminator_val_y_1 4.44 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.29 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.83 _LACS_plot.Line_2_terminator_val_x_2 5.79 _LACS_plot.Line_2_terminator_val_y_2 -2.63 _LACS_plot.Y_axis_chem_shift_offset 0.11 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 103 ILE -0.23 -4.24 0 10 SER -1.29 0.92 1 13 ASN 1.96 -1.69 1 14 TYR 4.70 0.20 1 15 ASP 4.31 -0.69 1 16 ASP 3.37 -1.22 1 17 PHE 3.95 0.19 1 18 VAL 5.80 -3.30 1 19 LYS 3.30 -1.18 1 20 LYS 3.62 -2.47 1 21 ILE 2.34 -1.83 1 23 LEU -0.72 0.54 1 25 ALA 3.69 -0.88 1 26 ASP 4.78 -2.96 1 27 LYS 3.59 -1.77 1 28 ILE 5.73 -1.80 1 29 GLU 3.41 -1.87 1 30 MET 2.49 0.26 1 32 ARG 2.79 -1.90 1 33 ASN 2.32 -1.88 1 35 LYS 2.99 -3.61 1 36 ILE 0.57 0.94 1 37 VAL -2.18 0.82 1 38 THR -1.17 0.67 1 39 GLU -5.00 2.63 1 40 VAL -3.16 1.05 1 41 VAL -0.54 0.86 1 42 GLN -3.22 0.48 1 43 ASN -1.95 0.15 1 45 ASN -0.68 -0.20 1 46 ASP -0.46 -0.08 1 47 PHE -5.54 4.43 1 48 THR 0.58 0.56 1 49 TRP -2.50 2.29 1 50 THR -1.97 1.16 1 51 GLN 0.96 -0.35 1 52 HIS -1.39 0.43 1 53 PHE -0.85 1.56 1 57 ARG -0.27 0.49 1 58 THR -0.22 0.54 1 59 THR -0.40 0.76 1 60 THR -1.15 0.63 1 61 ASN -6.00 5.09 1 62 SER -2.25 0.92 1 63 PHE -1.77 -0.14 1 64 THR -2.80 1.41 1 65 ILE 1.55 -3.35 1 66 ASP 5.61 -2.66 1 67 LYS -3.46 1.16 1 69 ALA -5.49 3.14 1 70 ASP 0.06 -0.05 1 71 MET -8.07 6.94 1 72 GLU -6.90 4.09 1 73 THR -2.04 -0.09 1 77 ARG -0.65 0.00 1 78 LYS -0.38 -0.33 1 79 PHE -2.98 1.10 1 80 LYS -4.86 2.65 1 81 ALA -4.71 3.47 1 82 THR 1.16 -1.32 1 83 VAL 1.68 -1.82 1 84 LYS -3.97 1.98 1 85 MET -3.65 2.51 1 86 GLU -4.07 1.68 1 89 LYS -2.49 0.65 1 90 ILE 0.26 -0.43 1 91 VAL -3.84 2.38 1 92 ALA -5.49 2.85 1 93 ASP -3.90 3.36 1 94 PHE -1.51 -0.14 1 96 ASN 1.17 -0.83 1 97 TYR -0.30 1.71 1 98 HIS -2.74 2.05 1 99 HIS -5.79 5.89 1 100 THR -5.97 2.03 1 101 ALA -5.90 3.72 1 104 SER -2.41 -0.37 1 107 LYS -3.37 1.41 1 108 LEU -1.23 0.40 1 109 VAL -0.48 -0.18 1 111 ILE -1.77 0.23 1 112 SER -2.77 0.23 1 113 THR -2.02 0.58 1 114 SER -1.88 1.00 1 115 SER 2.06 -1.94 1 117 VAL 0.41 -0.66 1 118 VAL -0.57 -0.40 1 119 TYR -4.45 1.41 1 120 LYS -5.42 2.91 1 122 THR 0.72 -0.34 1 123 SER -2.63 1.90 1 124 LYS -2.15 0.39 1 125 LYS 0.74 -0.19 1 126 ILE -0.84 -0.19 1 127 ALA -1.55 0.61 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17551_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -8.07 _LACS_plot.Line_1_terminator_val_y_1 1.15 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.06 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.43 _LACS_plot.Line_2_terminator_val_x_2 5.79 _LACS_plot.Line_2_terminator_val_y_2 -0.53 _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 50 THR -1.97 1.58 0 32 ARG 2.79 -1.27 0 71 MET -8.07 0.26 0 10 SER -1.29 -0.21 1 13 ASN 1.96 0.00 1 14 TYR 4.70 -0.54 1 15 ASP 4.31 -0.53 1 16 ASP 3.37 -0.25 1 17 PHE 3.95 -0.55 1 18 VAL 5.80 -0.52 1 19 LYS 3.30 -0.21 1 20 LYS 3.62 -0.25 1 21 ILE 2.34 0.04 1 23 LEU -0.72 -0.47 1 25 ALA 3.69 -0.38 1 26 ASP 4.78 -0.26 1 27 LYS 3.59 -0.16 1 28 ILE 5.73 -0.58 1 29 GLU 3.41 -0.06 1 30 MET 2.49 -0.29 1 33 ASN 2.32 -0.67 1 35 LYS 2.99 -0.02 1 36 ILE 0.57 -0.16 1 37 VAL -2.18 0.99 1 38 THR -1.17 1.06 1 39 GLU -5.00 0.87 1 40 VAL -3.16 0.74 1 41 VAL -0.54 0.02 1 42 GLN -3.22 0.09 1 43 ASN -1.95 0.09 1 45 ASN -0.68 0.25 1 46 ASP -0.46 0.54 1 47 PHE -5.54 0.54 1 48 THR 0.58 0.51 1 49 TRP -2.50 0.30 1 51 GLN 0.96 0.72 1 52 HIS -1.39 0.32 1 53 PHE -0.85 -0.31 1 57 ARG -0.27 0.14 1 58 THR -0.22 0.95 1 59 THR -0.40 0.15 1 60 THR -1.15 0.76 1 61 ASN -6.00 0.64 1 62 SER -2.25 1.19 1 63 PHE -1.77 0.40 1 64 THR -2.80 1.27 1 65 ILE 1.55 -0.08 1 66 ASP 5.61 -0.56 1 67 LYS -3.46 0.48 1 69 ALA -5.49 0.60 1 70 ASP 0.06 0.21 1 72 GLU -6.90 1.26 1 73 THR -2.04 0.19 1 77 ARG -0.65 0.01 1 78 LYS -0.38 0.83 1 79 PHE -2.98 0.28 1 80 LYS -4.86 1.14 1 81 ALA -4.71 0.42 1 82 THR 1.16 -0.06 1 83 VAL 1.68 -0.34 1 84 LYS -3.97 0.53 1 85 MET -3.65 1.04 1 86 GLU -4.07 0.30 1 89 LYS -2.49 0.79 1 90 ILE 0.26 0.32 1 91 VAL -3.84 0.47 1 92 ALA -5.49 0.24 1 93 ASP -3.90 0.70 1 94 PHE -1.51 0.13 1 96 ASN 1.17 -0.12 1 97 TYR -0.30 0.25 1 98 HIS -2.74 0.74 1 99 HIS -5.79 0.96 1 100 THR -5.97 1.25 1 101 ALA -5.90 1.00 1 103 ILE -0.23 0.96 1 104 SER -2.41 0.31 1 107 LYS -3.37 0.54 1 108 LEU -1.23 0.45 1 109 VAL -0.48 0.83 1 111 ILE -1.77 0.74 1 112 SER -2.77 1.05 1 113 THR -2.02 1.28 1 114 SER -1.88 0.01 1 115 SER 2.06 -0.38 1 117 VAL 0.41 0.12 1 118 VAL -0.57 0.40 1 119 TYR -4.45 0.54 1 120 LYS -5.42 0.60 1 122 THR 0.72 0.87 1 123 SER -2.63 0.73 1 124 LYS -2.15 0.36 1 125 LYS 0.74 0.05 1 126 ILE -0.84 0.13 1 127 ALA -1.55 0.06 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17551_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -8.07 _LACS_plot.Line_1_terminator_val_y_1 -2.96 _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 -1.18 _LACS_plot.Line_2_terminator_val_x_2 5.79 _LACS_plot.Line_2_terminator_val_y_2 1.50 _LACS_plot.Y_axis_chem_shift_offset 0.48 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 66 ASP 5.61 -1.57 0 28 ILE 5.73 3.99 0 47 PHE -5.54 1.32 0 10 SER -1.29 -3.38 1 13 ASN 1.96 0.10 1 14 TYR 4.70 0.68 1 15 ASP 4.31 2.03 1 16 ASP 3.37 2.30 1 17 PHE 3.95 0.95 1 18 VAL 5.80 2.13 1 19 LYS 3.30 3.20 1 20 LYS 3.62 2.47 1 21 ILE 2.34 -0.03 1 25 ALA 3.69 1.66 1 26 ASP 4.78 2.99 1 27 LYS 3.59 1.16 1 29 GLU 3.41 2.42 1 30 MET 2.49 1.38 1 32 ARG 2.79 -0.37 1 33 ASN 2.32 -1.26 1 35 LYS 2.99 -1.33 1 36 ILE 0.57 0.72 1 37 VAL -2.18 -1.01 1 38 THR -1.17 -0.67 1 39 GLU -5.00 -2.22 1 40 VAL -3.16 -0.16 1 41 VAL -0.54 -2.70 1 42 GLN -3.22 -1.76 1 43 ASN -1.95 0.15 1 45 ASN -0.68 -1.38 1 46 ASP -0.46 -1.59 1 48 THR 0.58 -2.20 1 49 TRP -2.50 -0.26 1 50 THR -1.97 -1.29 1 51 GLN 0.96 -0.67 1 52 HIS -1.39 0.72 1 57 ARG -0.27 0.43 1 58 THR -0.22 -0.61 1 59 THR -0.40 -2.07 1 60 THR -1.15 -2.25 1 61 ASN -6.00 -1.59 1 62 SER -2.25 -2.06 1 63 PHE -1.77 -3.30 1 64 THR -2.80 0.54 1 65 ILE 1.55 0.08 1 67 LYS -3.46 -1.48 1 69 ALA -5.49 -2.00 1 70 ASP 0.06 -0.76 1 71 MET -8.07 -2.25 1 72 GLU -6.90 -0.49 1 73 THR -2.04 1.96 1 77 ARG -0.65 -0.22 1 78 LYS -0.38 0.36 1 79 PHE -2.98 -4.21 1 80 LYS -4.86 -0.06 1 81 ALA -4.71 -2.51 1 82 THR 1.16 -2.14 1 83 VAL 1.68 -2.13 1 84 LYS -3.97 -1.57 1 85 MET -3.65 -0.60 1 86 GLU -4.07 0.62 1 89 LYS -2.49 -1.11 1 90 ILE 0.26 -0.72 1 91 VAL -3.84 -2.41 1 92 ALA -5.49 -3.95 1 93 ASP -3.90 -2.78 1 96 ASN 1.17 -1.01 1 97 TYR -0.30 -3.19 1 98 HIS -2.74 -1.28 1 99 HIS -5.79 -0.69 1 100 THR -5.97 -2.14 1 101 ALA -5.90 -2.26 1 103 ILE -0.23 0.72 1 107 LYS -3.37 -2.53 1 108 LEU -1.23 -2.69 1 109 VAL -0.48 -0.30 1 111 ILE -1.77 -1.24 1 112 SER -2.77 -2.48 1 113 THR -2.02 0.21 1 114 SER -1.88 -0.09 1 115 SER 2.06 -0.21 1 117 VAL 0.41 -2.59 1 118 VAL -0.57 -1.51 1 119 TYR -4.45 -2.87 1 120 LYS -5.42 -2.79 1 122 THR 0.72 -0.38 1 123 SER -2.63 -2.14 1 124 LYS -2.15 -1.46 1 125 LYS 0.74 0.23 1 126 ILE -0.84 -1.16 1 stop_ save_