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 bmr19876_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -3.15 _LACS_plot.Line_1_terminator_val_y_1 -1.97 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.49 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.36 _LACS_plot.Line_2_terminator_val_x_2 8.52 _LACS_plot.Line_2_terminator_val_y_2 6.30 _LACS_plot.Y_axis_chem_shift_offset -0.12 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 20 HIS 2.65 4.04 0 65 HIS 3.36 4.56 0 37 ILE 4.24 1.13 0 12 MET -1.10 -0.08 1 13 ASP -0.80 -0.58 1 14 GLU 1.80 1.47 1 15 TYR -0.52 -0.33 1 16 SER 1.97 0.77 1 19 ARG 4.82 3.50 1 21 ASP 4.20 3.67 1 22 VAL 6.15 4.68 1 23 ALA 4.13 2.77 1 24 GLN 4.18 2.53 1 25 LEU 3.33 2.62 1 26 LYS 4.73 3.84 1 27 PHE 3.74 2.63 1 28 LEU 3.56 2.86 1 30 GLU 3.91 3.29 1 31 SER 4.87 3.43 1 32 LEU 3.64 2.85 1 33 TYR 6.00 4.34 1 34 ASP 4.30 3.08 1 35 GLU 2.94 1.96 1 38 ALA 3.04 1.99 1 39 THR 5.22 3.95 1 40 LEU 1.61 1.39 1 42 ASP -0.78 -0.32 1 43 SER 1.53 0.95 1 44 HIS 1.47 2.03 1 45 HIS 0.18 0.95 1 47 TRP 0.38 0.37 1 48 VAL -1.55 -0.92 1 49 ASN -0.76 0.97 1 50 ASP -3.15 -2.34 1 52 THR -0.07 -0.52 1 53 SER -0.75 0.02 1 54 ALA 3.60 2.64 1 55 VAL 3.67 2.50 1 56 ASN 4.92 3.74 1 57 LEU 4.51 2.94 1 58 GLN 4.26 2.99 1 59 LEU 4.11 3.17 1 60 ASN 4.33 3.04 1 61 ASP 3.70 3.19 1 62 LEU 4.26 2.86 1 63 ILE 6.54 5.92 1 64 GLU 3.40 2.85 1 66 ILE 6.62 4.85 1 67 ALA 4.56 3.11 1 68 SER 4.35 3.19 1 69 PHE 4.40 3.98 1 70 VAL 5.36 3.90 1 71 MET 4.91 4.00 1 72 SER 4.52 3.32 1 73 PHE 3.38 4.24 1 74 LYS 2.74 2.49 1 75 ILE 2.51 1.89 1 76 LYS 2.89 2.75 1 77 TYR 0.36 -1.27 1 79 ASP 1.15 0.54 1 80 ASP 1.05 0.11 1 82 ASP 4.61 2.85 1 83 LEU 3.02 2.35 1 84 SER 5.50 3.86 1 85 GLU 3.19 2.50 1 86 LEU 3.28 2.28 1 87 VAL 7.02 5.06 1 88 GLU 5.15 4.41 1 89 GLU 2.98 2.97 1 90 TYR 2.36 2.20 1 91 LEU 5.34 3.58 1 92 ASP 3.95 3.49 1 93 ASP 3.98 3.71 1 94 THR 7.24 5.46 1 95 TYR 4.56 4.21 1 96 THR 5.88 4.68 1 97 LEU 3.54 2.91 1 98 PHE 4.21 3.04 1 99 SER 0.89 0.43 1 100 SER -1.33 -0.70 1 101 TYR 2.24 1.07 1 103 ILE -0.61 -0.97 1 104 ASN -2.91 -1.66 1 105 ASP 8.53 6.92 1 107 GLU 4.34 3.28 1 108 LEU 3.58 2.95 1 109 GLN 4.32 2.92 1 110 ARG 4.19 3.61 1 111 TRP 5.16 4.51 1 112 GLN 4.78 3.46 1 113 LYS 4.26 2.98 1 114 THR 6.69 4.41 1 115 LYS 7.08 4.32 1 116 GLU 3.79 2.92 1 117 ARG 4.10 3.99 1 118 LEU 3.87 2.34 1 119 PHE 6.31 3.49 1 120 ARG 4.44 3.34 1 121 LEU 4.32 2.74 1 122 PHE 2.47 1.38 1 123 SER 0.71 0.75 1 125 GLU 1.45 1.71 1 126 TYR 2.26 1.83 1 127 ILE 2.61 1.04 1 128 SER 2.95 2.14 1 129 THR 3.08 2.23 1 130 LEU 1.18 0.98 1 131 MET 0.36 0.07 1 132 LYS 0.41 0.28 1 133 THR 0.62 1.47 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19876_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -3.15 _LACS_plot.Line_1_terminator_val_y_1 1.18 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.51 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.64 _LACS_plot.Line_2_terminator_val_x_2 8.52 _LACS_plot.Line_2_terminator_val_y_2 -2.22 _LACS_plot.Y_axis_chem_shift_offset -0.12 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 20 HIS 2.65 1.39 0 65 HIS 3.36 1.20 0 37 ILE 4.24 -3.11 0 12 MET -1.10 1.02 1 13 ASP -0.80 0.22 1 14 GLU 1.80 -0.33 1 15 TYR -0.52 0.19 1 16 SER 1.97 -1.20 1 19 ARG 4.82 -1.32 1 21 ASP 4.20 -0.53 1 22 VAL 6.15 -1.47 1 23 ALA 4.13 -1.36 1 24 GLN 4.18 -1.65 1 25 LEU 3.33 -0.71 1 26 LYS 4.73 -0.89 1 27 PHE 3.74 -1.11 1 28 LEU 3.56 -0.70 1 30 GLU 3.91 -0.62 1 31 SER 4.87 -1.44 1 32 LEU 3.64 -0.79 1 33 TYR 6.00 -1.66 1 34 ASP 4.30 -1.22 1 35 GLU 2.94 -0.98 1 38 ALA 3.04 -1.05 1 39 THR 5.22 -1.27 1 40 LEU 1.61 -0.22 1 42 ASP -0.78 0.46 1 43 SER 1.53 -0.58 1 44 HIS 1.47 0.56 1 45 HIS 0.18 0.77 1 47 TRP 0.38 -0.01 1 48 VAL -1.55 0.63 1 49 ASN -0.76 1.73 1 50 ASP -3.15 0.81 1 52 THR -0.07 -0.45 1 53 SER -0.75 0.77 1 54 ALA 3.60 -0.96 1 55 VAL 3.67 -1.17 1 56 ASN 4.92 -1.18 1 57 LEU 4.51 -1.57 1 58 GLN 4.26 -1.27 1 59 LEU 4.11 -0.94 1 60 ASN 4.33 -1.29 1 61 ASP 3.70 -0.51 1 62 LEU 4.26 -1.40 1 63 ILE 6.54 -0.62 1 64 GLU 3.40 -0.55 1 66 ILE 6.62 -1.77 1 67 ALA 4.56 -1.45 1 68 SER 4.35 -1.16 1 69 PHE 4.40 -0.42 1 70 VAL 5.36 -1.46 1 71 MET 4.91 -0.91 1 72 SER 4.52 -1.20 1 73 PHE 3.38 0.86 1 74 LYS 2.74 -0.25 1 75 ILE 2.51 -0.62 1 76 LYS 2.89 -0.14 1 77 TYR 0.36 -1.63 1 79 ASP 1.15 -0.61 1 80 ASP 1.05 -0.94 1 82 ASP 4.61 -1.76 1 83 LEU 3.02 -0.67 1 84 SER 5.50 -1.64 1 85 GLU 3.19 -0.69 1 86 LEU 3.28 -1.00 1 87 VAL 7.02 -1.96 1 88 GLU 5.15 -0.74 1 89 GLU 2.98 -0.01 1 90 TYR 2.36 -0.16 1 91 LEU 5.34 -1.76 1 92 ASP 3.95 -0.46 1 93 ASP 3.98 -0.27 1 94 THR 7.24 -1.78 1 95 TYR 4.56 -0.35 1 96 THR 5.88 -1.20 1 97 LEU 3.54 -0.63 1 98 PHE 4.21 -1.17 1 99 SER 0.89 -0.46 1 100 SER -1.33 0.63 1 101 TYR 2.24 -1.17 1 103 ILE -0.61 -0.36 1 104 ASN -2.91 1.25 1 105 ASP 8.53 -1.61 1 107 GLU 4.34 -1.06 1 108 LEU 3.58 -0.63 1 109 GLN 4.32 -1.40 1 110 ARG 4.19 -0.58 1 111 TRP 5.16 -0.65 1 112 GLN 4.78 -1.32 1 113 LYS 4.26 -1.28 1 114 THR 6.69 -2.28 1 115 LYS 7.08 -2.76 1 116 GLU 3.79 -0.87 1 117 ARG 4.10 -0.11 1 118 LEU 3.87 -1.53 1 119 PHE 6.31 -2.82 1 120 ARG 4.44 -1.10 1 121 LEU 4.32 -1.58 1 122 PHE 2.47 -1.09 1 123 SER 0.71 0.04 1 125 GLU 1.45 0.26 1 126 TYR 2.26 -0.43 1 127 ILE 2.61 -1.57 1 128 SER 2.95 -0.81 1 129 THR 3.08 -0.85 1 130 LEU 1.18 -0.20 1 131 MET 0.36 -0.29 1 132 LYS 0.41 -0.13 1 133 THR 0.62 0.85 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19876_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -3.15 _LACS_plot.Line_1_terminator_val_y_1 0.00 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.33 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.07 _LACS_plot.Line_2_terminator_val_x_2 8.52 _LACS_plot.Line_2_terminator_val_y_2 -0.76 _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 26 LYS 4.73 -1.66 0 12 MET -1.10 -0.04 1 13 ASP -0.80 -0.20 1 14 GLU 1.80 -0.49 1 15 TYR -0.52 -0.10 1 16 SER 1.97 -0.34 1 19 ARG 4.82 -0.55 1 20 HIS 2.65 -0.45 1 21 ASP 4.20 -0.06 1 22 VAL 6.15 -0.63 1 23 ALA 4.13 -0.55 1 24 GLN 4.18 -0.33 1 25 LEU 3.33 -0.78 1 27 PHE 3.74 -0.43 1 28 LEU 3.56 -0.74 1 30 GLU 3.91 -0.47 1 31 SER 4.87 -0.41 1 32 LEU 3.64 -0.43 1 33 TYR 6.00 -0.23 1 34 ASP 4.30 -0.59 1 35 GLU 2.94 -0.42 1 37 ILE 4.24 -0.41 1 38 ALA 3.04 -0.36 1 39 THR 5.22 -0.62 1 40 LEU 1.61 -0.53 1 42 ASP -0.78 -0.08 1 43 SER 1.53 -0.28 1 44 HIS 1.47 -0.39 1 45 HIS 0.18 -0.25 1 47 TRP 0.38 -0.17 1 48 VAL -1.55 -0.33 1 49 ASN -0.76 -0.50 1 50 ASP -3.15 -0.07 1 52 THR -0.07 -0.16 1 53 SER -0.75 -0.28 1 54 ALA 3.60 -0.36 1 55 VAL 3.67 -0.40 1 56 ASN 4.92 -0.70 1 57 LEU 4.51 -0.41 1 58 GLN 4.26 -0.37 1 59 LEU 4.11 -0.60 1 60 ASN 4.33 -0.45 1 61 ASP 3.70 -0.34 1 62 LEU 4.26 -0.18 1 63 ILE 6.54 -0.80 1 64 GLU 3.40 -0.42 1 65 HIS 3.36 -0.42 1 66 ILE 6.62 -0.73 1 67 ALA 4.56 -0.56 1 68 SER 4.35 -0.30 1 69 PHE 4.40 -0.60 1 70 VAL 5.36 -0.46 1 71 MET 4.91 -0.48 1 72 SER 4.52 -0.43 1 73 PHE 3.38 -0.98 1 74 LYS 2.74 -0.29 1 75 ILE 2.51 -0.65 1 76 LYS 2.89 -0.88 1 77 TYR 0.36 0.05 1 79 ASP 1.15 0.09 1 80 ASP 1.05 0.35 1 82 ASP 4.61 -0.44 1 83 LEU 3.02 -0.47 1 84 SER 5.50 -0.87 1 85 GLU 3.19 -0.28 1 86 LEU 3.28 -0.10 1 87 VAL 7.02 -0.53 1 88 GLU 5.15 -0.61 1 89 GLU 2.98 -0.32 1 90 TYR 2.36 -0.15 1 91 LEU 5.34 -0.69 1 92 ASP 3.95 -0.23 1 93 ASP 3.98 -0.22 1 94 THR 7.24 -0.93 1 95 TYR 4.56 -0.81 1 96 THR 5.88 -0.94 1 97 LEU 3.54 -0.78 1 98 PHE 4.21 -0.64 1 99 SER 0.89 -0.26 1 100 SER -1.33 -0.12 1 101 TYR 2.24 -0.21 1 103 ILE -0.61 -0.29 1 104 ASN -2.91 0.17 1 105 ASP 8.53 -0.44 1 107 GLU 4.34 -0.49 1 108 LEU 3.58 -0.23 1 109 GLN 4.32 -0.35 1 110 ARG 4.19 -0.42 1 111 TRP 5.16 -0.43 1 112 GLN 4.78 -0.86 1 113 LYS 4.26 -0.41 1 114 THR 6.69 -0.69 1 115 LYS 7.08 -1.27 1 116 GLU 3.79 -0.75 1 117 ARG 4.10 -0.64 1 118 LEU 3.87 -0.59 1 119 PHE 6.31 -0.62 1 120 ARG 4.44 -0.33 1 121 LEU 4.32 -0.25 1 122 PHE 2.47 -0.30 1 123 SER 0.71 -0.14 1 125 GLU 1.45 -0.35 1 126 TYR 2.26 -0.24 1 127 ILE 2.61 -0.43 1 128 SER 2.95 -0.33 1 129 THR 3.08 -0.36 1 130 LEU 1.18 -0.29 1 131 MET 0.36 -0.24 1 132 LYS 0.41 -0.08 1 133 THR 0.62 -0.34 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19876_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -3.15 _LACS_plot.Line_1_terminator_val_y_1 -2.77 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.44 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.92 _LACS_plot.Line_2_terminator_val_x_2 7.24 _LACS_plot.Line_2_terminator_val_y_2 1.42 _LACS_plot.Y_axis_chem_shift_offset 1.27 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 43 SER 1.53 4.15 0 12 MET -1.10 -2.22 1 13 ASP -0.80 -1.41 1 14 GLU 1.80 -1.59 1 15 TYR -0.52 -1.14 1 16 SER 1.97 -1.19 1 20 HIS 2.65 2.16 1 21 ASP 4.20 0.96 1 22 VAL 6.15 -0.64 1 23 ALA 4.13 1.68 1 24 GLN 4.18 0.07 1 25 LEU 3.33 -0.66 1 26 LYS 4.73 -0.58 1 27 PHE 3.74 2.12 1 28 LEU 3.56 0.39 1 30 GLU 3.91 -0.16 1 31 SER 4.87 0.24 1 32 LEU 3.64 -1.69 1 33 TYR 6.00 -0.45 1 34 ASP 4.30 2.50 1 35 GLU 2.94 1.86 1 37 ILE 4.24 1.72 1 38 ALA 3.04 0.63 1 39 THR 5.22 -0.30 1 40 LEU 1.61 -0.91 1 42 ASP -0.78 -0.69 1 47 TRP 0.38 -1.51 1 48 VAL -1.55 -2.90 1 49 ASN -0.76 -3.01 1 50 ASP -3.15 -1.70 1 52 THR -0.07 -1.29 1 53 SER -0.75 -1.85 1 54 ALA 3.60 0.99 1 55 VAL 3.67 -0.24 1 56 ASN 4.92 0.82 1 57 LEU 4.51 0.59 1 58 GLN 4.26 1.76 1 59 LEU 4.11 -0.23 1 60 ASN 4.33 1.69 1 61 ASP 3.70 1.15 1 62 LEU 4.26 -0.26 1 63 ILE 6.54 -0.15 1 64 GLU 3.40 1.59 1 65 HIS 3.36 3.23 1 66 ILE 6.62 -0.12 1 67 ALA 4.56 1.78 1 68 SER 4.35 0.94 1 69 PHE 4.40 1.54 1 70 VAL 5.36 -0.90 1 71 MET 4.91 1.12 1 74 LYS 2.74 0.66 1 75 ILE 2.51 -0.25 1 76 LYS 2.89 -1.47 1 77 TYR 0.36 -1.74 1 79 ASP 1.15 -1.28 1 80 ASP 1.05 -1.52 1 82 ASP 4.61 0.81 1 83 LEU 3.02 -1.07 1 84 SER 5.50 0.01 1 85 GLU 3.19 1.49 1 86 LEU 3.28 0.36 1 87 VAL 7.02 0.61 1 88 GLU 5.15 1.09 1 89 GLU 2.98 -0.04 1 90 TYR 2.36 2.47 1 91 LEU 5.34 -0.01 1 92 ASP 3.95 1.72 1 93 ASP 3.98 2.04 1 94 THR 7.24 -1.04 1 95 TYR 4.56 2.08 1 96 THR 5.88 -0.07 1 97 LEU 3.54 -1.54 1 98 PHE 4.21 -1.11 1 99 SER 0.89 -1.84 1 100 SER -1.33 -2.35 1 101 TYR 2.24 -0.86 1 103 ILE -0.61 -2.44 1 104 ASN -2.91 -1.73 1 107 GLU 4.34 1.13 1 108 LEU 3.58 -0.39 1 109 GLN 4.32 1.76 1 110 ARG 4.19 -0.24 1 111 TRP 5.16 -0.10 1 112 GLN 4.78 1.50 1 113 LYS 4.26 1.76 1 114 THR 6.69 -0.43 1 115 LYS 7.08 0.35 1 116 GLU 3.79 1.44 1 117 ARG 4.10 1.44 1 118 LEU 3.87 -1.43 1 119 PHE 6.31 1.85 1 120 ARG 4.44 1.48 1 121 LEU 4.32 0.94 1 122 PHE 2.47 -0.43 1 123 SER 0.71 -1.25 1 125 GLU 1.45 -0.63 1 126 TYR 2.26 -0.65 1 127 ILE 2.61 -0.81 1 128 SER 2.95 0.19 1 129 THR 3.08 -0.67 1 130 LEU 1.18 -1.35 1 131 MET 0.36 -1.71 1 132 LYS 0.41 -2.06 1 133 THR 0.62 3.18 1 stop_ save_