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 bmr19758_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -2.53 _LACS_plot.Line_1_terminator_val_y_1 -0.74 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.40 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.22 _LACS_plot.Line_2_terminator_val_x_2 9.09 _LACS_plot.Line_2_terminator_val_y_2 6.85 _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 20 LYS 0.55 -2.54 0 54 LYS 0.77 -2.56 0 53 LYS 5.52 0.46 0 10 GLU 3.79 2.96 1 11 LYS 3.36 3.53 1 13 ASN 4.06 2.32 1 14 LYS 5.50 3.90 1 15 TYR 4.83 3.00 1 16 PHE 4.14 4.67 1 17 LYS 3.67 3.10 1 18 GLN -0.46 -0.09 1 21 TYR 5.35 4.04 1 22 ASP 5.03 3.94 1 23 GLU 6.87 3.53 1 24 ALA 4.80 3.47 1 25 ILE 6.83 5.97 1 26 ASP 3.47 3.85 1 28 TYR 2.40 0.85 1 29 THR 6.40 5.54 1 30 LYS 3.43 3.36 1 32 MET 2.68 3.51 1 33 ASP 2.44 2.34 1 34 ALA 1.72 1.10 1 35 ASP -1.29 -0.56 1 37 TYR 0.34 -0.82 1 38 ASN -2.10 -1.14 1 40 VAL 4.05 3.05 1 41 LEU 8.43 6.54 1 43 THR 9.10 6.22 1 44 ASN 6.28 2.23 1 45 ARG 5.71 5.92 1 46 ALA 1.40 3.30 1 47 SER 5.24 3.95 1 48 ALA 3.80 3.44 1 49 TYR 6.77 4.98 1 50 PHE 4.26 4.65 1 51 ARG 5.19 1.84 1 52 LEU -0.90 -0.53 1 55 PHE 4.54 3.68 1 56 ALA 4.18 2.75 1 57 VAL 4.47 2.93 1 58 ALA 4.08 3.20 1 59 GLU 4.56 4.12 1 60 SER 5.00 3.69 1 61 ASP 4.56 3.64 1 63 ASN 4.76 2.68 1 64 LEU 4.12 2.81 1 65 ALA 2.27 3.76 1 66 VAL 3.57 2.34 1 67 ALA 2.77 1.68 1 68 LEU 1.02 1.49 1 69 ASN 0.00 0.22 1 70 ARG 2.52 1.58 1 71 SER -0.17 -0.82 1 72 TYR 1.78 -0.39 1 73 THR 6.43 5.21 1 74 LYS 3.63 2.89 1 75 ALA 2.46 2.63 1 76 TYR 4.99 4.55 1 77 SER 5.02 3.47 1 78 ARG 4.28 0.62 1 79 ARG 6.25 5.37 1 81 ALA 3.49 2.80 1 82 ALA 4.94 3.56 1 83 ARG 5.92 4.57 1 84 PHE 2.95 1.63 1 85 ALA 5.67 2.33 1 86 LEU -1.21 -0.31 1 87 GLN 5.67 1.91 1 88 LYS 1.55 -1.38 1 89 LEU 4.78 4.29 1 90 GLU 4.74 3.65 1 91 GLU 4.23 3.38 1 92 ALA 3.48 2.96 1 93 LYS 3.86 3.61 1 94 LYS 3.89 2.86 1 95 ASP 5.52 4.03 1 96 TYR 6.64 5.57 1 97 GLU 4.61 3.42 1 98 ARG 4.76 2.04 1 99 VAL 7.71 5.35 1 100 LEU 1.89 1.45 1 101 GLU 2.16 2.18 1 102 LEU 0.33 1.52 1 103 GLU -2.53 -0.27 1 105 ASN 0.60 -0.44 1 106 ASN 1.89 2.31 1 107 PHE 3.56 3.25 1 108 GLU 3.46 3.09 1 109 ALA 3.33 2.71 1 110 THR 6.45 5.32 1 111 ASN 3.48 3.16 1 112 GLU 3.72 1.93 1 113 LEU 4.29 3.22 1 114 ARG 5.20 3.75 1 115 LYS 4.12 3.51 1 116 ILE 5.03 4.65 1 117 SER 5.34 4.28 1 118 GLN 4.15 3.10 1 119 ALA 2.99 2.38 1 120 LEU 2.11 2.15 1 121 ALA 2.08 1.42 1 122 SER 1.50 1.26 1 123 LYS 1.20 0.84 1 124 GLU 0.17 0.37 1 125 ASN -0.04 0.22 1 126 SER -0.25 -0.02 1 127 TYR 0.80 1.27 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19758_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -2.53 _LACS_plot.Line_1_terminator_val_y_1 1.79 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.60 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.78 _LACS_plot.Line_2_terminator_val_x_2 9.09 _LACS_plot.Line_2_terminator_val_y_2 -2.24 _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 20 LYS 0.55 -3.09 0 54 LYS 0.77 -3.33 0 53 LYS 5.52 -5.06 0 10 GLU 3.79 -0.83 1 11 LYS 3.36 0.17 1 13 ASN 4.06 -1.74 1 14 LYS 5.50 -1.60 1 15 TYR 4.83 -1.83 1 16 PHE 4.14 0.53 1 17 LYS 3.67 -0.57 1 18 GLN -0.46 0.37 1 21 TYR 5.35 -1.31 1 22 ASP 5.03 -1.09 1 23 GLU 6.87 -3.34 1 24 ALA 4.80 -1.33 1 25 ILE 6.83 -0.86 1 26 ASP 3.47 0.38 1 28 TYR 2.40 -1.55 1 29 THR 6.40 -0.86 1 30 LYS 3.43 -0.07 1 32 MET 2.68 0.83 1 33 ASP 2.44 -0.10 1 34 ALA 1.72 -0.62 1 35 ASP -1.29 0.73 1 37 TYR 0.34 -1.16 1 38 ASN -2.10 0.96 1 40 VAL 4.05 -1.00 1 41 LEU 8.43 -1.89 1 43 THR 9.10 -2.88 1 44 ASN 6.28 -4.05 1 45 ARG 5.71 0.21 1 46 ALA 1.40 1.90 1 47 SER 5.24 -1.29 1 48 ALA 3.80 -0.36 1 49 TYR 6.77 -1.79 1 50 PHE 4.26 0.39 1 51 ARG 5.19 -3.35 1 52 LEU -0.90 0.37 1 55 PHE 4.54 -0.86 1 56 ALA 4.18 -1.43 1 57 VAL 4.47 -1.54 1 58 ALA 4.08 -0.88 1 59 GLU 4.56 -0.44 1 60 SER 5.00 -1.31 1 61 ASP 4.56 -0.92 1 63 ASN 4.76 -2.08 1 64 LEU 4.12 -1.31 1 65 ALA 2.27 1.49 1 66 VAL 3.57 -1.23 1 67 ALA 2.77 -1.09 1 68 LEU 1.02 0.47 1 69 ASN 0.00 0.22 1 70 ARG 2.52 -0.94 1 71 SER -0.17 -0.65 1 72 TYR 1.78 -2.17 1 73 THR 6.43 -1.22 1 74 LYS 3.63 -0.74 1 75 ALA 2.46 0.17 1 76 TYR 4.99 -0.44 1 77 SER 5.02 -1.55 1 78 ARG 4.28 -3.66 1 79 ARG 6.25 -0.88 1 81 ALA 3.49 -0.69 1 82 ALA 4.94 -1.38 1 83 ARG 5.92 -1.35 1 84 PHE 2.95 -1.32 1 85 ALA 5.67 -3.34 1 86 LEU -1.21 0.90 1 87 GLN 5.67 -3.76 1 88 LYS 1.55 -2.93 1 89 LEU 4.78 -0.49 1 90 GLU 4.74 -1.09 1 91 GLU 4.23 -0.85 1 92 ALA 3.48 -0.52 1 93 LYS 3.86 -0.25 1 94 LYS 3.89 -1.03 1 95 ASP 5.52 -1.49 1 96 TYR 6.64 -1.07 1 97 GLU 4.61 -1.19 1 98 ARG 4.76 -2.72 1 99 VAL 7.71 -2.36 1 100 LEU 1.89 -0.44 1 101 GLU 2.16 0.02 1 102 LEU 0.33 1.19 1 103 GLU -2.53 2.26 1 105 ASN 0.60 -1.04 1 106 ASN 1.89 0.42 1 107 PHE 3.56 -0.31 1 108 GLU 3.46 -0.37 1 109 ALA 3.33 -0.62 1 110 THR 6.45 -1.13 1 111 ASN 3.48 -0.32 1 112 GLU 3.72 -1.79 1 113 LEU 4.29 -1.07 1 114 ARG 5.20 -1.45 1 115 LYS 4.12 -0.61 1 116 ILE 5.03 -0.38 1 117 SER 5.34 -1.06 1 118 GLN 4.15 -1.05 1 119 ALA 2.99 -0.61 1 120 LEU 2.11 0.04 1 121 ALA 2.08 -0.66 1 122 SER 1.50 -0.24 1 123 LYS 1.20 -0.36 1 124 GLU 0.17 0.20 1 125 ASN -0.04 0.26 1 126 SER -0.25 0.23 1 127 TYR 0.80 0.47 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19758_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -2.53 _LACS_plot.Line_1_terminator_val_y_1 0.17 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.19 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.14 _LACS_plot.Line_2_terminator_val_x_2 9.09 _LACS_plot.Line_2_terminator_val_y_2 -0.77 _LACS_plot.Y_axis_chem_shift_offset 0.03 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 53 LYS 5.52 -1.87 0 10 GLU 3.79 -0.25 1 11 LYS 3.36 -0.43 1 13 ASN 4.06 -0.19 1 14 LYS 5.50 -0.26 1 15 TYR 4.83 -0.14 1 16 PHE 4.14 -0.96 1 17 LYS 3.67 -0.18 1 18 GLN -0.46 0.01 1 20 LYS 0.55 0.02 1 21 TYR 5.35 -0.54 1 22 ASP 5.03 -0.44 1 23 GLU 6.87 -0.66 1 24 ALA 4.80 -0.49 1 25 ILE 6.83 -0.79 1 26 ASP 3.47 -0.22 1 28 TYR 2.40 -0.14 1 29 THR 6.40 -0.27 1 30 LYS 3.43 -0.13 1 32 MET 2.68 -0.61 1 33 ASP 2.44 -0.26 1 34 ALA 1.72 -0.01 1 35 ASP -1.29 0.02 1 37 TYR 0.34 0.25 1 38 ASN -2.10 -0.07 1 40 VAL 4.05 -0.67 1 41 LEU 8.43 -0.85 1 43 THR 9.10 -0.59 1 44 ASN 6.28 -0.70 1 45 ARG 5.71 -0.56 1 46 ALA 1.40 0.01 1 47 SER 5.24 -0.38 1 48 ALA 3.80 -0.13 1 49 TYR 6.77 -0.36 1 50 PHE 4.26 -0.92 1 51 ARG 5.19 -0.36 1 52 LEU -0.90 -0.13 1 54 LYS 0.77 0.18 1 55 PHE 4.54 -0.56 1 56 ALA 4.18 -0.04 1 57 VAL 4.47 -0.44 1 58 ALA 4.08 -0.11 1 59 GLU 4.56 -0.70 1 60 SER 5.00 -0.26 1 61 ASP 4.56 -0.01 1 63 ASN 4.76 -0.51 1 64 LEU 4.12 -0.22 1 65 ALA 2.27 -0.55 1 66 VAL 3.57 -0.43 1 67 ALA 2.77 -0.21 1 68 LEU 1.02 -0.13 1 69 ASN 0.00 -0.06 1 70 ARG 2.52 0.26 1 71 SER -0.17 0.40 1 72 TYR 1.78 0.22 1 73 THR 6.43 -0.72 1 74 LYS 3.63 -0.46 1 75 ALA 2.46 -0.24 1 76 TYR 4.99 -0.72 1 77 SER 5.02 -0.70 1 78 ARG 4.28 -0.46 1 79 ARG 6.25 -0.62 1 81 ALA 3.49 0.10 1 82 ALA 4.94 -0.09 1 83 ARG 5.92 -0.51 1 84 PHE 2.95 -0.45 1 85 ALA 5.67 -0.62 1 86 LEU -1.21 -0.10 1 87 GLN 5.67 -0.76 1 88 LYS 1.55 0.34 1 89 LEU 4.78 -0.61 1 90 GLU 4.74 -0.45 1 91 GLU 4.23 -0.34 1 92 ALA 3.48 -0.29 1 93 LYS 3.86 -0.50 1 94 LYS 3.89 -0.18 1 95 ASP 5.52 0.01 1 96 TYR 6.64 -0.26 1 97 GLU 4.61 -0.47 1 98 ARG 4.76 -0.41 1 99 VAL 7.71 -0.78 1 100 LEU 1.89 -0.17 1 101 GLU 2.16 -0.40 1 102 LEU 0.33 -0.18 1 103 GLU -2.53 -0.01 1 105 ASN 0.60 -0.13 1 106 ASN 1.89 -0.27 1 107 PHE 3.56 -0.37 1 108 GLU 3.46 -0.38 1 109 ALA 3.33 -0.54 1 110 THR 6.45 -0.66 1 111 ASN 3.48 -0.46 1 112 GLU 3.72 -0.52 1 113 LEU 4.29 -0.53 1 114 ARG 5.20 -0.30 1 115 LYS 4.12 -0.29 1 116 ILE 5.03 -0.85 1 117 SER 5.34 -0.36 1 118 GLN 4.15 -0.21 1 119 ALA 2.99 -0.06 1 120 LEU 2.11 -0.29 1 121 ALA 2.08 -0.05 1 122 SER 1.50 -0.06 1 123 LYS 1.20 -0.01 1 124 GLU 0.17 -0.10 1 125 ASN -0.04 0.00 1 126 SER -0.25 -0.02 1 127 TYR 0.80 -0.13 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19758_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -2.53 _LACS_plot.Line_1_terminator_val_y_1 -1.01 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.96 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.25 _LACS_plot.Line_2_terminator_val_x_2 9.09 _LACS_plot.Line_2_terminator_val_y_2 3.31 _LACS_plot.Y_axis_chem_shift_offset -0.24 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 103 GLU -2.53 7.93 0 10 GLU 3.79 2.99 1 11 LYS 3.36 2.53 1 13 ASN 4.06 2.64 1 14 LYS 5.50 3.06 1 15 TYR 4.83 2.89 1 16 PHE 4.14 3.48 1 17 LYS 3.67 1.04 1 18 GLN -0.46 0.03 1 20 LYS 0.55 -0.28 1 21 TYR 5.35 1.50 1 22 ASP 5.03 2.56 1 23 GLU 6.87 2.86 1 24 ALA 4.80 0.00 1 25 ILE 6.83 2.44 1 26 ASP 3.47 1.76 1 28 TYR 2.40 2.03 1 29 THR 6.40 1.74 1 30 LYS 3.43 4.31 1 32 MET 2.68 1.45 1 33 ASP 2.44 1.33 1 34 ALA 1.72 0.01 1 37 TYR 0.34 -0.93 1 38 ASN -2.10 2.21 1 40 VAL 4.05 0.83 1 41 LEU 8.43 -0.53 1 43 THR 9.10 1.31 1 44 ASN 6.28 2.52 1 45 ARG 5.71 1.62 1 46 ALA 1.40 2.95 1 47 SER 5.24 1.60 1 48 ALA 3.80 0.64 1 49 TYR 6.77 3.17 1 50 PHE 4.26 3.52 1 51 ARG 5.19 1.30 1 52 LEU -0.90 -2.28 1 53 LYS 5.52 -1.31 1 54 LYS 0.77 0.81 1 55 PHE 4.54 1.53 1 56 ALA 4.18 2.89 1 57 VAL 4.47 1.79 1 58 ALA 4.08 1.58 1 59 GLU 4.56 0.66 1 60 SER 5.00 3.18 1 61 ASP 4.56 3.32 1 63 ASN 4.76 3.29 1 64 LEU 4.12 0.49 1 65 ALA 2.27 1.00 1 66 VAL 3.57 1.24 1 67 ALA 2.77 2.85 1 68 LEU 1.02 0.97 1 69 ASN 0.00 -0.96 1 70 ARG 2.52 2.28 1 71 SER -0.17 -1.77 1 72 TYR 1.78 -1.63 1 73 THR 6.43 1.36 1 74 LYS 3.63 1.60 1 75 ALA 2.46 1.60 1 76 TYR 4.99 2.25 1 77 SER 5.02 1.66 1 78 ARG 4.28 1.02 1 79 ARG 6.25 2.76 1 81 ALA 3.49 4.04 1 82 ALA 4.94 0.67 1 83 ARG 5.92 2.02 1 84 PHE 2.95 3.66 1 85 ALA 5.67 1.34 1 86 LEU -1.21 -1.95 1 87 GLN 5.67 -0.56 1 88 LYS 1.55 0.54 1 89 LEU 4.78 0.98 1 90 GLU 4.74 3.15 1 91 GLU 4.23 2.10 1 92 ALA 3.48 0.92 1 93 LYS 3.86 0.91 1 94 LYS 3.89 3.27 1 95 ASP 5.52 2.47 1 96 TYR 6.64 2.84 1 97 GLU 4.61 3.34 1 98 ARG 4.76 2.20 1 99 VAL 7.71 0.76 1 100 LEU 1.89 1.60 1 101 GLU 2.16 2.05 1 102 LEU 0.33 0.56 1 105 ASN 0.60 -0.46 1 106 ASN 1.89 -0.29 1 107 PHE 3.56 1.33 1 108 GLU 3.46 1.61 1 109 ALA 3.33 1.23 1 110 THR 6.45 1.95 1 111 ASN 3.48 3.01 1 112 GLU 3.72 2.46 1 113 LEU 4.29 2.12 1 114 ARG 5.20 2.61 1 115 LYS 4.12 3.69 1 116 ILE 5.03 1.09 1 117 SER 5.34 2.73 1 118 GLN 4.15 2.28 1 119 ALA 2.99 2.98 1 120 LEU 2.11 1.10 1 121 ALA 2.08 1.26 1 122 SER 1.50 0.59 1 123 LYS 1.20 0.48 1 124 GLU 0.17 -0.20 1 125 ASN -0.04 -0.25 1 126 SER -0.25 -1.45 1 127 TYR 0.80 4.61 1 stop_ save_