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 bmr19054_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -0.78 _LACS_plot.Line_1_terminator_val_y_1 -0.34 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.62 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.31 _LACS_plot.Line_2_terminator_val_x_2 8.31 _LACS_plot.Line_2_terminator_val_y_2 6.47 _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 121 ASN 1.67 2.91 0 11 ARG 0.23 0.15 1 12 ILE 0.41 0.18 1 13 GLU -0.72 -0.31 1 14 ALA -0.50 -0.06 1 15 ASP -0.20 -0.04 1 16 SER 0.90 0.84 1 17 GLU 0.73 1.00 1 18 SER 0.41 0.41 1 19 GLN 2.38 1.92 1 20 GLU 1.59 1.60 1 21 ASP 1.10 1.48 1 22 ILE 4.21 3.57 1 23 ILE 5.79 3.84 1 24 ARG 4.62 3.74 1 25 ASN 3.33 3.07 1 26 ILE 5.90 4.93 1 27 ALA 4.15 3.36 1 28 ARG 4.21 3.29 1 29 HIS 4.30 4.72 1 30 LEU 3.47 2.67 1 31 ALA 3.31 2.38 1 32 GLN 3.16 2.40 1 33 VAL 4.78 3.49 1 35 ASP 1.83 2.11 1 36 SER 1.94 1.90 1 37 MET 0.76 1.16 1 38 ASP 1.22 1.03 1 39 ARG 1.17 0.27 1 40 SER -0.14 0.44 1 41 ILE 0.53 0.21 1 45 LEU 2.92 2.87 1 46 VAL 5.66 4.20 1 47 ASN 3.29 2.94 1 49 LEU 3.10 2.80 1 50 ALA 3.75 2.89 1 51 LEU 2.96 2.36 1 52 GLN 3.04 1.87 1 53 LEU 2.26 1.79 1 54 ARG 1.90 1.59 1 55 ASN 1.21 0.82 1 56 THR 1.84 1.46 1 57 SER 0.58 0.58 1 58 ARG 0.03 0.07 1 59 SER 0.00 0.04 1 60 GLU 0.84 0.94 1 61 GLU 0.73 0.96 1 62 ASP 0.93 0.78 1 63 ARG 1.11 0.87 1 64 ASN 1.69 1.20 1 65 ARG 1.26 0.91 1 66 ASP 0.86 0.78 1 67 LEU 3.33 2.94 1 68 ALA 3.93 3.01 1 69 THR 5.58 4.30 1 70 ALA 3.70 2.78 1 71 LEU 3.77 3.06 1 72 GLU 3.85 3.25 1 73 GLN 3.40 2.41 1 74 LEU 3.33 3.06 1 75 LEU 3.05 2.20 1 76 GLN 2.36 1.67 1 77 ALA -0.11 0.19 1 78 TYR -0.07 0.40 1 80 ARG -0.38 -0.06 1 81 ASP -0.78 -0.40 1 82 MET 1.98 1.78 1 83 GLU 3.16 2.69 1 84 LYS 3.52 2.79 1 85 GLU 4.43 3.45 1 86 LYS 4.29 3.55 1 87 THR 5.55 4.54 1 88 MET 3.70 3.25 1 89 LEU 3.73 3.09 1 90 VAL 6.03 4.77 1 91 LEU 3.14 2.56 1 92 ALA 3.96 3.08 1 93 LEU 3.70 2.90 1 94 LEU 3.59 3.00 1 95 LEU 3.76 3.02 1 96 ALA 3.97 3.12 1 97 LYS 4.36 3.67 1 98 LYS 3.57 2.91 1 99 VAL 5.19 4.00 1 100 ALA 3.30 2.54 1 101 SER 2.72 2.12 1 102 HIS 0.08 0.88 1 103 THR 3.50 2.83 1 105 SER 0.28 0.41 1 106 LEU 2.80 2.96 1 107 LEU 3.06 2.41 1 108 ARG 5.26 4.16 1 109 ASP 4.46 3.52 1 110 VAL 5.35 4.15 1 111 PHE 4.93 4.23 1 112 HIS 4.73 4.77 1 113 THR 6.02 5.07 1 114 THR 8.31 6.47 1 115 VAL 6.65 5.10 1 116 ASN 4.11 3.45 1 117 PHE 3.95 3.95 1 118 ILE 5.23 4.38 1 119 ASN 3.09 3.36 1 120 GLN 2.90 2.37 1 122 LEU 3.27 3.15 1 123 ARG 4.83 3.90 1 124 THR 5.17 3.89 1 125 TYR 3.23 3.12 1 126 VAL 5.18 3.83 1 127 ARG 3.77 2.89 1 128 SER 2.83 2.34 1 129 LEU 1.08 0.95 1 130 ALA 0.15 0.22 1 131 ARG 0.84 0.17 1 132 ASN 0.20 0.38 1 134 MET -0.46 -0.05 1 135 ASP 0.53 1.70 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19054_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -0.78 _LACS_plot.Line_1_terminator_val_y_1 0.44 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.38 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.69 _LACS_plot.Line_2_terminator_val_x_2 8.31 _LACS_plot.Line_2_terminator_val_y_2 -1.84 _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 121 ASN 1.67 1.24 0 11 ARG 0.23 -0.08 1 12 ILE 0.41 -0.23 1 13 GLU -0.72 0.41 1 14 ALA -0.50 0.44 1 15 ASP -0.20 0.16 1 16 SER 0.90 -0.06 1 17 GLU 0.73 0.27 1 18 SER 0.41 0.00 1 19 GLN 2.38 -0.46 1 20 GLU 1.59 0.01 1 21 ASP 1.10 0.38 1 22 ILE 4.21 -0.64 1 23 ILE 5.79 -1.95 1 24 ARG 4.62 -0.88 1 25 ASN 3.33 -0.26 1 26 ILE 5.90 -0.97 1 27 ALA 4.15 -0.79 1 28 ARG 4.21 -0.92 1 29 HIS 4.30 0.42 1 30 LEU 3.47 -0.80 1 31 ALA 3.31 -0.93 1 32 GLN 3.16 -0.76 1 33 VAL 4.78 -1.29 1 35 ASP 1.83 0.28 1 36 SER 1.94 -0.04 1 37 MET 0.76 0.40 1 38 ASP 1.22 -0.19 1 39 ARG 1.17 -0.90 1 40 SER -0.14 0.58 1 41 ILE 0.53 -0.32 1 45 LEU 2.92 -0.05 1 46 VAL 5.66 -1.46 1 47 ASN 3.29 -0.35 1 49 LEU 3.10 -0.30 1 50 ALA 3.75 -0.86 1 51 LEU 2.96 -0.60 1 52 GLN 3.04 -1.17 1 53 LEU 2.26 -0.47 1 54 ARG 1.90 -0.31 1 55 ASN 1.21 -0.39 1 56 THR 1.84 -0.38 1 57 SER 0.58 0.00 1 58 ARG 0.03 0.04 1 59 SER 0.00 0.04 1 60 GLU 0.84 0.10 1 61 GLU 0.73 0.23 1 62 ASP 0.93 -0.15 1 63 ARG 1.11 -0.24 1 64 ASN 1.69 -0.49 1 65 ARG 1.26 -0.35 1 66 ASP 0.86 -0.08 1 67 LEU 3.33 -0.39 1 68 ALA 3.93 -0.92 1 69 THR 5.58 -1.28 1 70 ALA 3.70 -0.92 1 71 LEU 3.77 -0.71 1 72 GLU 3.85 -0.60 1 73 GLN 3.40 -0.99 1 74 LEU 3.33 -0.27 1 75 LEU 3.05 -0.85 1 76 GLN 2.36 -0.69 1 77 ALA -0.11 0.30 1 78 TYR -0.07 0.47 1 80 ARG -0.38 0.32 1 81 ASP -0.78 0.38 1 82 MET 1.98 -0.20 1 83 GLU 3.16 -0.47 1 84 LYS 3.52 -0.73 1 85 GLU 4.43 -0.98 1 86 LYS 4.29 -0.74 1 87 THR 5.55 -1.01 1 88 MET 3.70 -0.45 1 89 LEU 3.73 -0.64 1 90 VAL 6.03 -1.26 1 91 LEU 3.14 -0.58 1 92 ALA 3.96 -0.88 1 93 LEU 3.70 -0.80 1 94 LEU 3.59 -0.59 1 95 LEU 3.76 -0.74 1 96 ALA 3.97 -0.85 1 97 LYS 4.36 -0.69 1 98 LYS 3.57 -0.66 1 99 VAL 5.19 -1.19 1 100 ALA 3.30 -0.76 1 101 SER 2.72 -0.60 1 102 HIS 0.08 0.80 1 103 THR 3.50 -0.67 1 105 SER 0.28 0.13 1 106 LEU 2.80 0.16 1 107 LEU 3.06 -0.65 1 108 ARG 5.26 -1.10 1 109 ASP 4.46 -0.94 1 110 VAL 5.35 -1.20 1 111 PHE 4.93 -0.70 1 112 HIS 4.73 0.04 1 113 THR 6.02 -0.95 1 114 THR 8.31 -1.84 1 115 VAL 6.65 -1.55 1 116 ASN 4.11 -0.66 1 117 PHE 3.95 0.00 1 118 ILE 5.23 -0.85 1 119 ASN 3.09 0.27 1 120 GLN 2.90 -0.53 1 122 LEU 3.27 -0.12 1 123 ARG 4.83 -0.93 1 124 THR 5.17 -1.28 1 125 TYR 3.23 -0.11 1 126 VAL 5.18 -1.35 1 127 ARG 3.77 -0.88 1 128 SER 2.83 -0.49 1 129 LEU 1.08 -0.13 1 130 ALA 0.15 0.07 1 131 ARG 0.84 -0.67 1 132 ASN 0.20 0.18 1 134 MET -0.46 0.41 1 135 ASP 0.53 1.17 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19054_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -0.78 _LACS_plot.Line_1_terminator_val_y_1 0.07 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.13 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.16 _LACS_plot.Line_2_terminator_val_x_2 8.31 _LACS_plot.Line_2_terminator_val_y_2 -0.59 _LACS_plot.Y_axis_chem_shift_offset -0.01 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 135 ASP 0.53 -0.51 0 11 ARG 0.23 0.02 1 12 ILE 0.41 -0.03 1 13 GLU -0.72 -0.02 1 14 ALA -0.50 0.03 1 15 ASP -0.20 0.02 1 16 SER 0.90 -0.05 1 17 GLU 0.73 -0.14 1 18 SER 0.41 -0.02 1 19 GLN 2.38 -0.12 1 20 GLU 1.59 -0.22 1 21 ASP 1.10 -0.06 1 22 ILE 4.21 -0.23 1 23 ILE 5.79 -0.48 1 24 ARG 4.62 -0.35 1 25 ASN 3.33 -0.21 1 26 ILE 5.90 -0.41 1 27 ALA 4.15 -0.34 1 28 ARG 4.21 -0.26 1 29 HIS 4.30 -0.28 1 30 LEU 3.47 -0.24 1 31 ALA 3.31 -0.23 1 32 GLN 3.16 -0.11 1 33 VAL 4.78 -0.28 1 35 ASP 1.83 -0.06 1 36 SER 1.94 -0.06 1 37 MET 0.76 -0.09 1 38 ASP 1.22 -0.11 1 39 ARG 1.17 0.17 1 40 SER -0.14 0.03 1 41 ILE 0.53 -0.10 1 45 LEU 2.92 -0.19 1 46 VAL 5.66 -0.49 1 47 ASN 3.29 -0.31 1 49 LEU 3.10 -0.17 1 50 ALA 3.75 -0.29 1 51 LEU 2.96 -0.25 1 52 GLN 3.04 -0.14 1 53 LEU 2.26 -0.15 1 54 ARG 1.90 -0.11 1 55 ASN 1.21 -0.01 1 56 THR 1.84 -0.04 1 57 SER 0.58 -0.01 1 58 ARG 0.03 0.11 1 59 SER 0.00 0.03 1 60 GLU 0.84 -0.04 1 61 GLU 0.73 -0.16 1 62 ASP 0.93 -0.06 1 63 ARG 1.11 -0.04 1 64 ASN 1.69 -0.10 1 65 ARG 1.26 -0.02 1 66 ASP 0.86 -0.02 1 67 LEU 3.33 -0.25 1 68 ALA 3.93 -0.31 1 69 THR 5.58 -0.34 1 70 ALA 3.70 -0.18 1 71 LEU 3.77 -0.24 1 72 GLU 3.85 -0.41 1 73 GLN 3.40 -0.10 1 74 LEU 3.33 -0.18 1 75 LEU 3.05 -0.21 1 76 GLN 2.36 -0.13 1 77 ALA -0.11 -0.04 1 78 TYR -0.07 -0.19 1 80 ARG -0.38 -0.09 1 81 ASP -0.78 0.06 1 82 MET 1.98 -0.01 1 83 GLU 3.16 -0.23 1 84 LYS 3.52 -0.18 1 85 GLU 4.43 -0.36 1 86 LYS 4.29 -0.33 1 87 THR 5.55 -0.37 1 88 MET 3.70 -0.25 1 89 LEU 3.73 -0.23 1 90 VAL 6.03 -0.49 1 91 LEU 3.14 -0.17 1 92 ALA 3.96 -0.30 1 93 LEU 3.70 -0.25 1 94 LEU 3.59 -0.24 1 95 LEU 3.76 -0.24 1 96 ALA 3.97 -0.39 1 97 LYS 4.36 -0.36 1 98 LYS 3.57 -0.14 1 99 VAL 5.19 -0.35 1 100 ALA 3.30 -0.27 1 101 SER 2.72 -0.19 1 102 HIS 0.08 0.06 1 103 THR 3.50 -0.27 1 105 SER 0.28 0.00 1 106 LEU 2.80 0.00 1 107 LEU 3.06 -0.22 1 108 ARG 5.26 -0.37 1 109 ASP 4.46 0.00 1 110 VAL 5.35 -0.27 1 111 PHE 4.93 -0.40 1 112 HIS 4.73 -0.52 1 113 THR 6.02 -0.34 1 114 THR 8.31 -0.50 1 115 VAL 6.65 -0.64 1 116 ASN 4.11 -0.24 1 117 PHE 3.95 -0.30 1 118 ILE 5.23 -0.61 1 119 ASN 3.09 -0.31 1 120 GLN 2.90 -0.20 1 121 ASN 1.67 -0.13 1 122 LEU 3.27 -0.08 1 123 ARG 4.83 -0.41 1 124 THR 5.17 -0.46 1 125 TYR 3.23 -0.19 1 126 VAL 5.18 -0.44 1 127 ARG 3.77 -0.23 1 128 SER 2.83 -0.15 1 129 LEU 1.08 -0.13 1 130 ALA 0.15 -0.04 1 131 ARG 0.84 0.00 1 132 ASN 0.20 0.02 1 134 MET -0.46 0.05 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19054_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -0.78 _LACS_plot.Line_1_terminator_val_y_1 -0.36 _LACS_plot.Line_1_terminator_val_x_2 2.00 _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 -0.69 _LACS_plot.Line_2_terminator_val_x_2 8.31 _LACS_plot.Line_2_terminator_val_y_2 2.93 _LACS_plot.Y_axis_chem_shift_offset 0.02 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 114 THR 8.31 1.36 0 11 ARG 0.23 -0.10 1 12 ILE 0.41 -0.63 1 13 GLU -0.72 -0.76 1 14 ALA -0.50 -0.66 1 15 ASP -0.20 0.06 1 16 SER 0.90 0.44 1 17 GLU 0.73 0.46 1 18 SER 0.41 0.63 1 20 GLU 1.59 0.35 1 21 ASP 1.10 1.35 1 22 ILE 4.21 1.04 1 23 ILE 5.79 1.27 1 24 ARG 4.62 2.41 1 25 ASN 3.33 3.45 1 26 ILE 5.90 1.27 1 27 ALA 4.15 1.36 1 28 ARG 4.21 2.74 1 29 HIS 4.30 3.42 1 30 LEU 3.47 0.61 1 31 ALA 3.31 1.04 1 32 GLN 3.16 2.65 1 33 VAL 4.78 1.88 1 35 ASP 1.83 1.36 1 36 SER 1.94 0.63 1 37 MET 0.76 -0.30 1 38 ASP 1.22 0.12 1 39 ARG 1.17 -0.54 1 40 SER -0.14 -0.95 1 45 LEU 2.92 0.30 1 46 VAL 5.66 0.87 1 47 ASN 3.29 2.34 1 49 LEU 3.10 0.46 1 50 ALA 3.75 1.68 1 51 LEU 2.96 1.43 1 52 GLN 3.04 2.30 1 53 LEU 2.26 0.39 1 54 ARG 1.90 0.64 1 55 ASN 1.21 0.99 1 56 THR 1.84 0.18 1 57 SER 0.58 -0.09 1 58 ARG 0.03 -0.02 1 59 SER 0.00 0.35 1 60 GLU 0.84 0.38 1 61 GLU 0.73 0.15 1 62 ASP 0.93 0.03 1 63 ARG 1.11 0.20 1 64 ASN 1.69 0.55 1 65 ARG 1.26 0.07 1 66 ASP 0.86 0.95 1 67 LEU 3.33 1.20 1 68 ALA 3.93 2.25 1 69 THR 5.58 1.62 1 70 ALA 3.70 1.84 1 71 LEU 3.77 0.63 1 72 GLU 3.85 2.35 1 73 GLN 3.40 2.94 1 74 LEU 3.33 0.66 1 75 LEU 3.05 1.54 1 76 GLN 2.36 0.69 1 77 ALA -0.11 -0.83 1 80 ARG -0.38 -0.30 1 81 ASP -0.78 -0.10 1 82 MET 1.98 1.10 1 83 GLU 3.16 0.90 1 84 LYS 3.52 1.98 1 85 GLU 4.43 1.18 1 86 LYS 4.29 1.59 1 87 THR 5.55 1.48 1 88 MET 3.70 1.00 1 89 LEU 3.73 0.55 1 90 VAL 6.03 2.19 1 91 LEU 3.14 0.29 1 92 ALA 3.96 1.16 1 93 LEU 3.70 1.36 1 94 LEU 3.59 2.69 1 95 LEU 3.76 0.95 1 96 ALA 3.97 1.33 1 97 LYS 4.36 2.53 1 98 LYS 3.57 2.91 1 99 VAL 5.19 2.02 1 100 ALA 3.30 1.65 1 101 SER 2.72 -0.01 1 102 HIS 0.08 -0.07 1 105 SER 0.28 1.69 1 106 LEU 2.80 0.93 1 107 LEU 3.06 0.49 1 108 ARG 5.26 1.00 1 109 ASP 4.46 3.14 1 110 VAL 5.35 2.74 1 111 PHE 4.93 0.52 1 112 HIS 4.73 3.34 1 113 THR 6.02 1.83 1 115 VAL 6.65 1.33 1 116 ASN 4.11 1.88 1 117 PHE 3.95 2.74 1 118 ILE 5.23 0.79 1 119 ASN 3.09 1.87 1 120 GLN 2.90 1.79 1 121 ASN 1.67 1.00 1 122 LEU 3.27 0.45 1 123 ARG 4.83 1.75 1 124 THR 5.17 1.47 1 125 TYR 3.23 2.07 1 126 VAL 5.18 1.11 1 127 ARG 3.77 1.85 1 128 SER 2.83 0.71 1 129 LEU 1.08 -0.26 1 130 ALA 0.15 -0.28 1 131 ARG 0.84 0.00 1 132 ASN 0.20 0.55 1 134 MET -0.46 -1.23 1 stop_ save_