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 bmr7206_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.97 _LACS_plot.Line_1_terminator_val_y_1 -2.31 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.25 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.62 _LACS_plot.Line_2_terminator_val_x_2 6.22 _LACS_plot.Line_2_terminator_val_y_2 4.48 _LACS_plot.Y_axis_chem_shift_offset 0.20 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 126 ASP -1.79 3.42 0 10 GLN 4.50 3.55 1 11 TRP -1.34 0.55 1 12 PHE 4.90 4.15 1 13 LYS 5.15 4.39 1 14 ILE 3.88 3.26 1 15 GLN 1.05 2.59 1 16 HIS -1.84 -0.55 1 17 MET 1.75 -1.72 1 18 GLN -4.44 -0.26 1 20 SER -2.48 -2.39 1 22 GLN -5.78 -2.39 1 23 ALA -0.27 -0.41 1 25 ASN 5.46 3.71 1 26 SER 2.64 1.75 1 27 ALA 1.47 2.21 1 28 MET 3.45 -0.59 1 29 LYS 5.05 4.18 1 30 ASN 2.50 2.27 1 31 ILE 2.10 3.37 1 32 ASN 2.70 1.76 1 33 LYS 3.93 2.12 1 34 HIS 2.74 2.84 1 35 THR -0.33 -0.29 1 36 LYS 4.68 0.15 1 37 ARG -4.59 -1.77 1 39 LYS 1.85 1.56 1 40 ASP 3.58 3.20 1 41 LEU -4.05 -1.11 1 42 ASN -5.37 0.44 1 43 THR 0.52 0.28 1 44 PHE -3.99 -1.34 1 45 LEU -1.23 -0.84 1 46 HIS 0.32 -2.70 1 47 GLU -4.01 -1.33 1 49 PHE 5.51 4.75 1 50 SER 5.37 3.21 1 51 SER 3.44 2.76 1 52 VAL 4.20 2.35 1 53 ALA 5.59 2.33 1 54 ALA 3.89 2.10 1 55 THR 6.22 3.73 1 57 GLN -1.57 -2.26 1 58 THR 3.82 1.65 1 60 LYS 0.90 0.64 1 61 ILE -6.17 -2.16 1 62 ALA 0.38 -0.03 1 64 LYS 5.19 3.88 1 65 ASN 0.88 -0.55 1 67 ASP 0.94 0.17 1 68 LYS 0.90 -1.13 1 69 ASN -0.55 -1.05 1 71 HIS -3.48 0.42 1 72 GLN -2.05 -1.39 1 73 SER 0.71 0.64 1 74 HIS 3.57 2.41 1 77 VAL -5.97 -3.39 1 78 SER 0.45 0.00 1 79 LEU -4.35 -1.04 1 80 THR -2.87 0.04 1 81 MET -2.24 -0.84 1 83 LYS -4.54 -1.90 1 84 LEU 0.34 1.21 1 85 THR 0.33 0.14 1 86 SER -0.38 0.15 1 88 LYS -3.35 -1.77 1 89 TYR 1.95 2.67 1 91 ASN 0.76 -0.32 1 93 ARG -1.05 -0.73 1 94 TYR -3.27 0.38 1 95 LYS -2.69 -1.18 1 96 GLU -4.93 -1.30 1 97 LYS -3.33 -0.81 1 98 ARG -0.32 -0.56 1 99 GLN -5.90 -1.26 1 100 ASN -0.96 -0.56 1 101 LYS -7.97 -1.89 1 102 SER 1.41 1.01 1 103 TYR -5.29 -2.60 1 104 VAL -3.66 -1.95 1 105 VAL -6.15 -4.36 1 106 ALA -2.97 -1.26 1 108 LYS -3.11 0.16 1 111 GLN -1.04 -0.30 1 112 LYS 3.87 3.06 1 113 LYS 1.65 0.67 1 114 ASP -1.09 0.42 1 115 SER 1.03 0.69 1 116 GLN 0.03 -0.92 1 117 GLN 2.76 1.98 1 118 PHE -3.14 -1.91 1 119 HIS 2.37 1.81 1 120 LEU -6.78 -1.26 1 121 VAL -4.04 -2.95 1 123 VAL -2.54 -1.41 1 124 HIS -3.05 0.54 1 125 LEU 0.93 -0.68 1 127 ARG -2.35 -0.66 1 128 VAL -1.42 -0.66 1 129 LEU 1.75 2.00 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr7206_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.97 _LACS_plot.Line_1_terminator_val_y_1 5.66 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.75 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.38 _LACS_plot.Line_2_terminator_val_x_2 6.22 _LACS_plot.Line_2_terminator_val_y_2 -1.74 _LACS_plot.Y_axis_chem_shift_offset 0.20 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 126 ASP -1.79 5.21 0 10 GLN 4.50 -0.95 1 11 TRP -1.34 1.89 1 12 PHE 4.90 -0.75 1 13 LYS 5.15 -0.76 1 14 ILE 3.88 -0.62 1 15 GLN 1.05 1.54 1 16 HIS -1.84 1.29 1 17 MET 1.75 -3.47 1 18 GLN -4.44 4.18 1 20 SER -2.48 0.09 1 22 GLN -5.78 3.39 1 23 ALA -0.27 -0.14 1 25 ASN 5.46 -1.75 1 26 SER 2.64 -0.89 1 27 ALA 1.47 0.74 1 28 MET 3.45 -4.04 1 29 LYS 5.05 -0.87 1 30 ASN 2.50 -0.23 1 31 ILE 2.10 1.27 1 32 ASN 2.70 -0.94 1 33 LYS 3.93 -1.81 1 34 HIS 2.74 0.10 1 35 THR -0.33 0.04 1 36 LYS 4.68 -4.53 1 37 ARG -4.59 2.82 1 39 LYS 1.85 -0.29 1 40 ASP 3.58 -0.38 1 41 LEU -4.05 2.94 1 42 ASN -5.37 5.81 1 43 THR 0.52 -0.24 1 44 PHE -3.99 2.65 1 45 LEU -1.23 0.39 1 46 HIS 0.32 -3.02 1 47 GLU -4.01 2.68 1 49 PHE 5.51 -0.76 1 50 SER 5.37 -2.16 1 51 SER 3.44 -0.68 1 52 VAL 4.20 -1.85 1 53 ALA 5.59 -3.26 1 54 ALA 3.89 -1.79 1 55 THR 6.22 -2.49 1 57 GLN -1.57 -0.69 1 58 THR 3.82 -2.17 1 60 LYS 0.90 -0.26 1 61 ILE -6.17 4.01 1 62 ALA 0.38 -0.41 1 64 LYS 5.19 -1.31 1 65 ASN 0.88 -1.43 1 67 ASP 0.94 -0.77 1 68 LYS 0.90 -2.03 1 69 ASN -0.55 -0.50 1 71 HIS -3.48 3.90 1 72 GLN -2.05 0.66 1 73 SER 0.71 -0.07 1 74 HIS 3.57 -1.16 1 77 VAL -5.97 2.58 1 78 SER 0.45 -0.45 1 79 LEU -4.35 3.31 1 80 THR -2.87 2.91 1 81 MET -2.24 1.40 1 83 LYS -4.54 2.64 1 84 LEU 0.34 0.87 1 85 THR 0.33 -0.19 1 86 SER -0.38 0.53 1 88 LYS -3.35 1.58 1 89 TYR 1.95 0.72 1 91 ASN 0.76 -1.08 1 93 ARG -1.05 0.32 1 94 TYR -3.27 3.65 1 95 LYS -2.69 1.51 1 96 GLU -4.93 3.63 1 97 LYS -3.33 2.52 1 98 ARG -0.32 -0.24 1 99 GLN -5.90 4.64 1 100 ASN -0.96 0.40 1 101 LYS -7.97 6.08 1 102 SER 1.41 -0.40 1 103 TYR -5.29 2.69 1 104 VAL -3.66 1.71 1 105 VAL -6.15 1.79 1 106 ALA -2.97 1.71 1 108 LYS -3.11 3.27 1 111 GLN -1.04 0.74 1 112 LYS 3.87 -0.81 1 113 LYS 1.65 -0.98 1 114 ASP -1.09 1.51 1 115 SER 1.03 -0.34 1 116 GLN 0.03 -0.95 1 117 GLN 2.76 -0.78 1 118 PHE -3.14 1.23 1 119 HIS 2.37 -0.56 1 120 LEU -6.78 5.52 1 121 VAL -4.04 1.09 1 123 VAL -2.54 1.13 1 124 HIS -3.05 3.59 1 125 LEU 0.93 -1.61 1 127 ARG -2.35 1.69 1 128 VAL -1.42 0.76 1 129 LEU 1.75 0.25 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr7206_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.97 _LACS_plot.Line_1_terminator_val_y_1 0.83 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.00 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.35 _LACS_plot.Line_2_terminator_val_x_2 6.22 _LACS_plot.Line_2_terminator_val_y_2 -0.40 _LACS_plot.Y_axis_chem_shift_offset -0.17 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 36 LYS 4.68 -2.25 0 10 GLN 4.50 -0.19 1 11 TRP -1.34 0.50 1 12 PHE 4.90 -0.45 1 13 LYS 5.15 -0.50 1 14 ILE 3.88 -0.45 1 15 GLN 1.05 -0.82 1 16 HIS -1.84 0.54 1 17 MET 1.75 0.77 1 18 GLN -4.44 0.20 1 20 SER -2.48 0.19 1 22 GLN -5.78 0.11 1 23 ALA -0.27 0.29 1 25 ASN 5.46 -0.09 1 26 SER 2.64 0.01 1 27 ALA 1.47 -0.25 1 28 MET 3.45 0.22 1 29 LYS 5.05 0.10 1 30 ASN 2.50 -0.12 1 31 ILE 2.10 -0.10 1 32 ASN 2.70 0.28 1 33 LYS 3.93 0.26 1 34 HIS 2.74 -0.19 1 35 THR -0.33 0.03 1 37 ARG -4.59 0.17 1 39 LYS 1.85 -0.03 1 40 ASP 3.58 -0.12 1 41 LEU -4.05 1.13 1 42 ASN -5.37 0.39 1 43 THR 0.52 0.67 1 44 PHE -3.99 0.32 1 45 LEU -1.23 -0.17 1 46 HIS 0.32 0.70 1 47 GLU -4.01 0.43 1 49 PHE 5.51 -0.42 1 50 SER 5.37 -0.70 1 51 SER 3.44 -0.06 1 52 VAL 4.20 -0.02 1 53 ALA 5.59 -0.85 1 54 ALA 3.89 -0.21 1 55 THR 6.22 -0.55 1 57 GLN -1.57 -0.09 1 58 THR 3.82 0.11 1 60 LYS 0.90 -0.24 1 61 ILE -6.17 0.31 1 62 ALA 0.38 0.15 1 64 LYS 5.19 -0.28 1 65 ASN 0.88 -0.15 1 67 ASP 0.94 -0.08 1 68 LYS 0.90 0.36 1 69 ASN -0.55 0.27 1 71 HIS -3.48 -0.22 1 72 GLN -2.05 0.58 1 73 SER 0.71 -0.49 1 74 HIS 3.57 -0.27 1 77 VAL -5.97 0.60 1 78 SER 0.45 0.49 1 79 LEU -4.35 0.64 1 80 THR -2.87 0.93 1 81 MET -2.24 0.69 1 83 LYS -4.54 1.01 1 84 LEU 0.34 -0.69 1 85 THR 0.33 0.25 1 86 SER -0.38 0.08 1 88 LYS -3.35 0.26 1 91 ASN 0.76 0.17 1 93 ARG -1.05 0.46 1 94 TYR -3.27 0.56 1 95 LYS -2.69 0.48 1 96 GLU -4.93 1.00 1 97 LYS -3.33 0.49 1 98 ARG -0.32 0.99 1 99 GLN -5.90 0.55 1 100 ASN -0.96 1.06 1 101 LYS -7.97 0.58 1 102 SER 1.41 0.08 1 103 TYR -5.29 0.86 1 104 VAL -3.66 1.03 1 105 VAL -6.15 1.30 1 106 ALA -2.97 0.99 1 108 LYS -3.11 0.31 1 111 GLN -1.04 0.12 1 112 LYS 3.87 -0.20 1 113 LYS 1.65 -0.01 1 114 ASP -1.09 0.19 1 115 SER 1.03 -0.02 1 116 GLN 0.03 -0.01 1 117 GLN 2.76 -0.47 1 118 PHE -3.14 0.16 1 119 HIS 2.37 -0.18 1 120 LEU -6.78 0.20 1 121 VAL -4.04 0.40 1 123 VAL -2.54 0.36 1 124 HIS -3.05 0.87 1 125 LEU 0.93 0.37 1 126 ASP -1.79 -0.14 1 127 ARG -2.35 0.29 1 128 VAL -1.42 0.49 1 129 LEU 1.75 -0.04 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr7206_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.97 _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 0.70 _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 6.22 _LACS_plot.Line_2_terminator_val_y_2 2.24 _LACS_plot.Y_axis_chem_shift_offset 0.06 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 125 LEU 0.93 -4.03 0 36 LYS 4.68 -2.78 0 10 GLN 4.50 2.76 1 11 TRP -1.34 1.62 1 12 PHE 4.90 1.51 1 13 LYS 5.15 2.61 1 14 ILE 3.88 1.66 1 15 GLN 1.05 -0.12 1 16 HIS -1.84 0.69 1 17 MET 1.75 -0.38 1 18 GLN -4.44 -2.42 1 20 SER -2.48 -0.88 1 22 GLN -5.78 -1.62 1 23 ALA -0.27 1.36 1 25 ASN 5.46 2.67 1 26 SER 2.64 1.92 1 27 ALA 1.47 3.38 1 28 MET 3.45 2.56 1 29 LYS 5.05 2.13 1 30 ASN 2.50 0.29 1 31 ILE 2.10 1.89 1 32 ASN 2.70 1.92 1 33 LYS 3.93 0.60 1 34 HIS 2.74 1.19 1 35 THR -0.33 0.17 1 37 ARG -4.59 -1.89 1 39 LYS 1.85 1.85 1 40 ASP 3.58 4.84 1 41 LEU -4.05 -1.89 1 42 ASN -5.37 -2.37 1 43 THR 0.52 -1.66 1 44 PHE -3.99 -1.46 1 45 LEU -1.23 -0.85 1 46 HIS 0.32 -1.61 1 47 GLU -4.01 -3.16 1 49 PHE 5.51 1.11 1 50 SER 5.37 2.33 1 51 SER 3.44 1.12 1 52 VAL 4.20 1.88 1 53 ALA 5.59 2.82 1 54 ALA 3.89 3.35 1 55 THR 6.22 -0.02 1 57 GLN -1.57 0.95 1 58 THR 3.82 0.01 1 60 LYS 0.90 -0.26 1 61 ILE -6.17 -1.99 1 62 ALA 0.38 1.46 1 64 LYS 5.19 0.82 1 65 ASN 0.88 1.19 1 67 ASP 0.94 0.09 1 68 LYS 0.90 -1.45 1 69 ASN -0.55 -0.79 1 71 HIS -3.48 -2.03 1 72 GLN -2.05 -0.60 1 73 SER 0.71 -0.19 1 74 HIS 3.57 0.48 1 77 VAL -5.97 -2.61 1 78 SER 0.45 -0.58 1 79 LEU -4.35 -0.95 1 80 THR -2.87 -1.91 1 81 MET -2.24 -1.17 1 83 LYS -4.54 -1.58 1 84 LEU 0.34 -0.60 1 85 THR 0.33 -0.07 1 86 SER -0.38 -2.31 1 88 LYS -3.35 -1.33 1 89 TYR 1.95 -0.30 1 91 ASN 0.76 -2.04 1 93 ARG -1.05 -2.08 1 94 TYR -3.27 0.20 1 95 LYS -2.69 -1.66 1 96 GLU -4.93 -0.78 1 97 LYS -3.33 -1.79 1 98 ARG -0.32 -0.24 1 99 GLN -5.90 -2.58 1 100 ASN -0.96 -0.42 1 101 LYS -7.97 0.00 1 102 SER 1.41 -2.92 1 103 TYR -5.29 -3.81 1 104 VAL -3.66 0.36 1 105 VAL -6.15 -1.77 1 106 ALA -2.97 0.32 1 108 LYS -3.11 -2.27 1 111 GLN -1.04 1.60 1 112 LYS 3.87 1.20 1 113 LYS 1.65 0.41 1 114 ASP -1.09 0.41 1 115 SER 1.03 0.94 1 116 GLN 0.03 0.07 1 117 GLN 2.76 -0.79 1 118 PHE -3.14 0.13 1 119 HIS 2.37 0.06 1 120 LEU -6.78 -2.64 1 121 VAL -4.04 -1.80 1 123 VAL -2.54 -0.73 1 124 HIS -3.05 -0.48 1 126 ASP -1.79 -0.65 1 127 ARG -2.35 -3.01 1 128 VAL -1.42 -1.45 1 129 LEU 1.75 2.48 1 stop_ save_