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 bmr34179_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -3.46 _LACS_plot.Line_1_terminator_val_y_1 -1.64 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 1.09 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.37 _LACS_plot.Line_2_terminator_val_x_2 8.67 _LACS_plot.Line_2_terminator_val_y_2 6.47 _LACS_plot.Y_axis_chem_shift_offset -0.09 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 67 ARG -0.44 -2.29 0 75 MET 4.98 5.86 0 25 LEU -0.87 -2.66 0 10 MET 3.72 1.66 1 11 ASP 4.32 4.01 1 12 SER 4.39 3.13 1 13 ARG 4.16 3.49 1 14 LEU 4.85 2.81 1 15 GLN 4.90 3.68 1 16 ARG 5.56 3.50 1 17 ILE 4.69 4.45 1 18 HIS 2.85 3.25 1 19 ALA 4.25 2.66 1 20 GLU 1.65 2.36 1 21 ILE 5.45 5.15 1 22 LYS 5.31 3.40 1 23 ASN 2.71 2.50 1 24 SER 4.24 3.29 1 26 LYS 0.62 0.34 1 27 ILE 3.37 3.27 1 29 ASN -0.78 -0.23 1 30 LEU 0.50 0.85 1 31 ASP -1.72 -2.11 1 32 VAL 5.20 4.25 1 33 ASN 4.79 3.41 1 34 ARG 2.69 2.58 1 36 ILE 6.72 5.79 1 37 GLU 3.72 3.11 1 38 ALA 3.41 2.69 1 39 LEU 3.91 2.61 1 40 ASP 5.00 2.98 1 41 GLU 4.45 3.02 1 42 LEU 4.27 2.75 1 43 ALA 2.19 1.65 1 44 SER 0.42 0.88 1 45 LEU -1.53 -0.89 1 46 GLN 1.12 -0.97 1 47 VAL -1.73 -0.94 1 48 THR -3.46 -1.73 1 49 MET 4.65 4.18 1 50 GLN 5.43 3.82 1 51 GLN 3.27 2.41 1 52 ALA 3.42 2.87 1 53 GLN 3.54 2.68 1 54 LYS 1.03 0.50 1 55 HIS -0.34 0.35 1 56 THR 5.74 3.57 1 57 GLU 4.82 2.92 1 58 MET 3.04 2.53 1 59 ILE 6.63 4.83 1 60 THR 7.04 5.34 1 61 THR 8.67 5.65 1 62 LEU 2.93 2.70 1 63 LYS 2.73 2.89 1 64 LYS 3.05 2.62 1 65 ILE 5.22 2.89 1 66 ARG 2.51 2.55 1 68 PHE -0.21 -1.55 1 69 LYS 2.70 2.01 1 70 VAL 2.50 1.34 1 71 SER -2.99 -2.71 1 72 GLN 4.66 3.26 1 73 VAL 4.79 3.80 1 74 ILE 6.28 5.06 1 76 GLU 3.40 3.24 1 77 LYS 2.91 4.03 1 78 SER 6.00 4.63 1 79 THR 7.89 6.63 1 80 MET 5.13 3.91 1 81 LEU 1.39 2.73 1 82 TYR 5.14 5.04 1 83 ASN 4.06 2.49 1 84 LYS 4.47 3.49 1 85 PHE 4.97 3.81 1 86 LYS 4.75 3.52 1 87 ASN 3.20 2.32 1 88 MET 3.03 3.11 1 89 PHE 1.64 2.10 1 90 LEU 1.44 0.40 1 91 VAL 1.00 0.50 1 93 GLU -0.60 -0.15 1 95 ASP 0.09 0.17 1 96 SER 0.32 0.23 1 97 VAL 1.18 0.55 1 98 ILE 0.83 0.28 1 99 THR 0.83 0.42 1 100 GLN 0.36 0.31 1 101 VAL 0.98 0.38 1 102 LEU 0.34 0.24 1 103 ASN 0.27 -0.07 1 104 LYS 1.86 1.23 1 105 MET 1.36 0.71 1 106 GLU 0.23 0.33 1 107 LEU 0.79 0.63 1 108 ALA 0.67 0.57 1 109 THR 0.58 0.33 1 110 ARG 0.56 0.30 1 111 TYR -0.02 0.06 1 112 GLN -1.13 -0.98 1 113 ILE -0.06 0.12 1 115 LYS 4.11 3.44 1 116 GLU 4.09 2.72 1 117 VAL 3.46 2.01 1 118 ALA 4.28 3.06 1 119 ASP 3.37 2.40 1 120 ILE 3.89 3.13 1 121 PHE 1.38 0.50 1 122 ASN 0.15 0.08 1 123 ALA 0.55 0.20 1 125 SER -0.17 -0.09 1 126 ASP -0.51 -0.10 1 127 ASP -0.21 -0.07 1 128 GLU -1.03 -0.40 1 129 GLU -0.24 0.12 1 130 PHE -1.87 -0.55 1 131 VAL -0.08 -1.37 1 133 PHE -0.28 1.00 1 134 ARG -1.31 -0.43 1 135 ASP -0.14 0.05 1 136 ASP 0.46 1.39 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr34179_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -3.46 _LACS_plot.Line_1_terminator_val_y_1 1.82 _LACS_plot.Line_1_terminator_val_x_2 1.99 _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 0.63 _LACS_plot.Line_2_terminator_val_x_2 8.67 _LACS_plot.Line_2_terminator_val_y_2 -2.20 _LACS_plot.Y_axis_chem_shift_offset -0.09 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 67 ARG -0.44 -1.85 0 75 MET 4.98 0.88 0 25 LEU -0.87 -1.79 0 10 MET 3.72 -2.06 1 11 ASP 4.32 -0.31 1 12 SER 4.39 -1.26 1 13 ARG 4.16 -0.67 1 14 LEU 4.85 -2.04 1 15 GLN 4.90 -1.22 1 16 ARG 5.56 -2.06 1 17 ILE 4.69 -0.24 1 18 HIS 2.85 0.40 1 19 ALA 4.25 -1.59 1 20 GLU 1.65 0.71 1 21 ILE 5.45 -0.30 1 22 LYS 5.31 -1.91 1 23 ASN 2.71 -0.21 1 24 SER 4.24 -0.95 1 26 LYS 0.62 -0.28 1 27 ILE 3.37 -0.10 1 29 ASN -0.78 0.55 1 30 LEU 0.50 0.35 1 31 ASP -1.72 -0.39 1 32 VAL 5.20 -0.95 1 33 ASN 4.79 -1.38 1 34 ARG 2.69 -0.11 1 36 ILE 6.72 -0.93 1 37 GLU 3.72 -0.61 1 38 ALA 3.41 -0.72 1 39 LEU 3.91 -1.30 1 40 ASP 5.00 -2.02 1 41 GLU 4.45 -1.43 1 42 LEU 4.27 -1.52 1 43 ALA 2.19 -0.54 1 44 SER 0.42 0.46 1 45 LEU -1.53 0.64 1 46 GLN 1.12 -2.09 1 47 VAL -1.73 0.79 1 48 THR -3.46 1.73 1 49 MET 4.65 -0.47 1 50 GLN 5.43 -1.61 1 51 GLN 3.27 -0.86 1 52 ALA 3.42 -0.55 1 53 GLN 3.54 -0.86 1 54 LYS 1.03 -0.53 1 55 HIS -0.34 0.69 1 56 THR 5.74 -2.17 1 57 GLU 4.82 -1.90 1 58 MET 3.04 -0.51 1 59 ILE 6.63 -1.80 1 60 THR 7.04 -1.70 1 61 THR 8.67 -3.02 1 62 LEU 2.93 -0.23 1 63 LYS 2.73 0.16 1 64 LYS 3.05 -0.43 1 65 ILE 5.22 -2.33 1 66 ARG 2.51 0.04 1 68 PHE -0.21 -1.34 1 69 LYS 2.70 -0.69 1 70 VAL 2.50 -1.16 1 71 SER -2.99 0.28 1 72 GLN 4.66 -1.40 1 73 VAL 4.79 -0.99 1 74 ILE 6.28 -1.22 1 76 GLU 3.40 -0.16 1 77 LYS 2.91 1.12 1 78 SER 6.00 -1.37 1 79 THR 7.89 -1.26 1 80 MET 5.13 -1.22 1 81 LEU 1.39 1.34 1 82 TYR 5.14 -0.10 1 83 ASN 4.06 -1.57 1 84 LYS 4.47 -0.98 1 85 PHE 4.97 -1.16 1 86 LYS 4.75 -1.23 1 87 ASN 3.20 -0.88 1 88 MET 3.03 0.08 1 89 PHE 1.64 0.46 1 90 LEU 1.44 -1.04 1 91 VAL 1.00 -0.50 1 93 GLU -0.60 0.45 1 95 ASP 0.09 0.08 1 96 SER 0.32 -0.09 1 97 VAL 1.18 -0.63 1 98 ILE 0.83 -0.55 1 99 THR 0.83 -0.41 1 100 GLN 0.36 -0.05 1 101 VAL 0.98 -0.60 1 102 LEU 0.34 -0.10 1 103 ASN 0.27 -0.34 1 104 LYS 1.86 -0.63 1 105 MET 1.36 -0.65 1 106 GLU 0.23 0.10 1 107 LEU 0.79 -0.16 1 108 ALA 0.67 -0.10 1 109 THR 0.58 -0.25 1 110 ARG 0.56 -0.26 1 111 TYR -0.02 0.08 1 112 GLN -1.13 0.15 1 113 ILE -0.06 0.18 1 115 LYS 4.11 -0.67 1 116 GLU 4.09 -1.37 1 117 VAL 3.46 -1.45 1 118 ALA 4.28 -1.22 1 119 ASP 3.37 -0.97 1 120 ILE 3.89 -0.76 1 121 PHE 1.38 -0.88 1 122 ASN 0.15 -0.07 1 123 ALA 0.55 -0.35 1 125 SER -0.17 0.08 1 126 ASP -0.51 0.41 1 127 ASP -0.21 0.14 1 128 GLU -1.03 0.63 1 129 GLU -0.24 0.36 1 130 PHE -1.87 1.32 1 131 VAL -0.08 -1.29 1 133 PHE -0.28 1.28 1 134 ARG -1.31 0.88 1 135 ASP -0.14 0.19 1 136 ASP 0.46 0.93 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr34179_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -3.46 _LACS_plot.Line_1_terminator_val_y_1 0.31 _LACS_plot.Line_1_terminator_val_x_2 1.99 _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 0.18 _LACS_plot.Line_2_terminator_val_x_2 8.67 _LACS_plot.Line_2_terminator_val_y_2 -0.77 _LACS_plot.Y_axis_chem_shift_offset 0.00 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 58 MET 3.04 -1.36 0 86 LYS 4.75 -1.54 0 63 LYS 2.73 -1.45 0 10 MET 3.72 -0.10 1 11 ASP 4.32 -0.23 1 12 SER 4.39 -0.28 1 13 ARG 4.16 -0.31 1 14 LEU 4.85 -0.52 1 15 GLN 4.90 -0.10 1 16 ARG 5.56 -0.22 1 17 ILE 4.69 -0.59 1 18 HIS 2.85 -0.51 1 19 ALA 4.25 -0.57 1 20 GLU 1.65 -0.39 1 21 ILE 5.45 -0.63 1 22 LYS 5.31 -0.76 1 23 ASN 2.71 -0.36 1 24 SER 4.24 -0.12 1 25 LEU -0.87 0.38 1 26 LYS 0.62 0.23 1 27 ILE 3.37 -0.49 1 29 ASN -0.78 0.10 1 30 LEU 0.50 -0.04 1 31 ASP -1.72 0.21 1 32 VAL 5.20 -0.58 1 33 ASN 4.79 -0.30 1 34 ARG 2.69 -0.24 1 36 ILE 6.72 -0.83 1 37 GLU 3.72 -0.27 1 38 ALA 3.41 0.06 1 39 LEU 3.91 -0.43 1 40 ASP 5.00 -0.19 1 41 GLU 4.45 -0.36 1 42 LEU 4.27 -0.36 1 43 ALA 2.19 -0.33 1 44 SER 0.42 -0.06 1 45 LEU -1.53 0.04 1 46 GLN 1.12 0.09 1 47 VAL -1.73 0.31 1 48 THR -3.46 0.18 1 49 MET 4.65 -0.73 1 50 GLN 5.43 -0.35 1 51 GLN 3.27 -0.19 1 52 ALA 3.42 -0.51 1 53 GLN 3.54 -0.49 1 54 LYS 1.03 -0.08 1 55 HIS -0.34 0.15 1 56 THR 5.74 -0.75 1 57 GLU 4.82 -0.31 1 59 ILE 6.63 -0.75 1 60 THR 7.04 -0.63 1 61 THR 8.67 -0.56 1 62 LEU 2.93 -0.47 1 64 LYS 3.05 -0.46 1 65 ILE 5.22 -0.50 1 66 ARG 2.51 -0.10 1 67 ARG -0.44 0.21 1 68 PHE -0.21 0.83 1 69 LYS 2.70 -0.11 1 70 VAL 2.50 -0.59 1 71 SER -2.99 0.44 1 72 GLN 4.66 -0.26 1 73 VAL 4.79 -0.22 1 74 ILE 6.28 -0.64 1 75 MET 4.98 -0.43 1 76 GLU 3.40 -0.25 1 77 LYS 2.91 -0.14 1 78 SER 6.00 -0.16 1 79 THR 7.89 -0.58 1 80 MET 5.13 -0.29 1 81 LEU 1.39 -0.35 1 82 TYR 5.14 -0.41 1 83 ASN 4.06 -0.49 1 84 LYS 4.47 -0.37 1 85 PHE 4.97 -0.20 1 87 ASN 3.20 -0.41 1 88 MET 3.03 -0.52 1 89 PHE 1.64 -0.18 1 90 LEU 1.44 -0.01 1 91 VAL 1.00 -0.08 1 93 GLU -0.60 -0.06 1 95 ASP 0.09 -0.03 1 96 SER 0.32 -0.03 1 97 VAL 1.18 -0.03 1 98 ILE 0.83 0.01 1 99 THR 0.83 -0.08 1 100 GLN 0.36 0.01 1 101 VAL 0.98 -0.07 1 102 LEU 0.34 -0.02 1 103 ASN 0.27 -0.09 1 104 LYS 1.86 -0.16 1 105 MET 1.36 -0.08 1 106 GLU 0.23 -0.12 1 107 LEU 0.79 -0.09 1 108 ALA 0.67 0.00 1 109 THR 0.58 -0.08 1 110 ARG 0.56 -0.07 1 111 TYR -0.02 -0.01 1 112 GLN -1.13 -0.01 1 113 ILE -0.06 -0.02 1 115 LYS 4.11 -0.43 1 116 GLU 4.09 -0.32 1 117 VAL 3.46 -0.60 1 118 ALA 4.28 -0.49 1 119 ASP 3.37 -0.35 1 120 ILE 3.89 -0.54 1 121 PHE 1.38 0.19 1 122 ASN 0.15 0.02 1 123 ALA 0.55 -0.04 1 125 SER -0.17 -0.05 1 126 ASP -0.51 -0.03 1 127 ASP -0.21 0.00 1 128 GLU -1.03 -0.11 1 129 GLU -0.24 -0.08 1 130 PHE -1.87 0.22 1 131 VAL -0.08 0.21 1 133 PHE -0.28 0.06 1 134 ARG -1.31 0.20 1 135 ASP -0.14 0.04 1 136 ASP 0.46 -0.32 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr34179_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -3.46 _LACS_plot.Line_1_terminator_val_y_1 -1.86 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 0.72 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.96 _LACS_plot.Line_2_terminator_val_x_2 8.67 _LACS_plot.Line_2_terminator_val_y_2 3.43 _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 136 ASP 0.46 4.53 0 10 MET 3.72 1.52 1 11 ASP 4.32 1.82 1 12 SER 4.39 2.62 1 13 ARG 4.16 2.13 1 14 LEU 4.85 1.99 1 15 GLN 4.90 3.06 1 16 ARG 5.56 2.36 1 17 ILE 4.69 1.16 1 18 HIS 2.85 2.28 1 19 ALA 4.25 2.05 1 20 GLU 1.65 3.34 1 21 ILE 5.45 0.67 1 22 LYS 5.31 2.33 1 23 ASN 2.71 3.02 1 25 LEU -0.87 -2.11 1 26 LYS 0.62 1.23 1 27 ILE 3.37 -0.41 1 29 ASN -0.78 -2.10 1 30 LEU 0.50 0.15 1 31 ASP -1.72 -0.69 1 32 VAL 5.20 1.53 1 33 ASN 4.79 2.41 1 34 ARG 2.69 2.17 1 36 ILE 6.72 0.48 1 37 GLU 3.72 3.12 1 38 ALA 3.41 1.67 1 39 LEU 3.91 2.26 1 40 ASP 5.00 3.17 1 41 GLU 4.45 3.85 1 42 LEU 4.27 1.14 1 43 ALA 2.19 -0.11 1 44 SER 0.42 -0.49 1 45 LEU -1.53 -0.67 1 46 GLN 1.12 -1.65 1 47 VAL -1.73 -0.33 1 48 THR -3.46 1.04 1 49 MET 4.65 1.27 1 50 GLN 5.43 3.02 1 51 GLN 3.27 2.81 1 52 ALA 3.42 0.87 1 53 GLN 3.54 0.08 1 54 LYS 1.03 -0.09 1 55 HIS -0.34 1.91 1 56 THR 5.74 2.80 1 57 GLU 4.82 1.72 1 58 MET 3.04 1.02 1 59 ILE 6.63 1.05 1 61 THR 8.67 1.04 1 62 LEU 2.93 -0.71 1 63 LYS 2.73 3.34 1 64 LYS 3.05 2.53 1 65 ILE 5.22 -0.93 1 66 ARG 2.51 0.63 1 67 ARG -0.44 0.34 1 68 PHE -0.21 -3.15 1 69 LYS 2.70 -0.10 1 70 VAL 2.50 -0.66 1 72 GLN 4.66 1.79 1 73 VAL 4.79 1.96 1 74 ILE 6.28 3.13 1 75 MET 4.98 2.55 1 76 GLU 3.40 3.36 1 77 LYS 2.91 3.15 1 78 SER 6.00 2.09 1 79 THR 7.89 0.76 1 80 MET 5.13 3.37 1 81 LEU 1.39 0.09 1 82 TYR 5.14 0.87 1 83 ASN 4.06 2.01 1 84 LYS 4.47 3.08 1 85 PHE 4.97 1.23 1 86 LYS 4.75 1.77 1 87 ASN 3.20 1.98 1 88 MET 3.03 0.37 1 89 PHE 1.64 -0.10 1 90 LEU 1.44 -0.34 1 91 VAL 1.00 0.44 1 93 GLU -0.60 0.39 1 95 ASP 0.09 0.16 1 96 SER 0.32 -0.01 1 97 VAL 1.18 0.12 1 98 ILE 0.83 0.12 1 99 THR 0.83 -0.16 1 100 GLN 0.36 -0.19 1 101 VAL 0.98 -0.10 1 102 LEU 0.34 -0.54 1 103 ASN 0.27 0.05 1 104 LYS 1.86 0.39 1 105 MET 1.36 0.47 1 106 GLU 0.23 0.25 1 107 LEU 0.79 -0.14 1 108 ALA 0.67 0.41 1 109 THR 0.58 0.00 1 110 ARG 0.56 -0.43 1 111 TYR -0.02 -0.84 1 112 GLN -1.13 -1.25 1 113 ILE -0.06 -0.98 1 115 LYS 4.11 0.45 1 116 GLU 4.09 1.71 1 117 VAL 3.46 0.24 1 118 ALA 4.28 1.66 1 119 ASP 3.37 2.37 1 120 ILE 3.89 1.66 1 121 PHE 1.38 1.83 1 122 ASN 0.15 0.05 1 123 ALA 0.55 -0.11 1 125 SER -0.17 -0.80 1 126 ASP -0.51 -0.60 1 127 ASP -0.21 -0.03 1 128 GLU -1.03 -0.35 1 129 GLU -0.24 -1.38 1 130 PHE -1.87 -0.53 1 133 PHE -0.28 0.18 1 134 ARG -1.31 -0.71 1 135 ASP -0.14 -1.45 1 stop_ save_