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 bmr17074_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.33 _LACS_plot.Line_1_terminator_val_y_1 -2.32 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.74 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.53 _LACS_plot.Line_2_terminator_val_x_2 7.49 _LACS_plot.Line_2_terminator_val_y_2 5.98 _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 66 ASP -5.71 -0.11 0 46 HIS -1.42 3.28 0 80 ILE -4.07 -5.39 0 10 VAL -4.64 -2.57 1 12 LYS 5.92 5.83 1 13 ARG -1.03 -0.46 1 14 ASN 0.52 0.77 1 15 SER -2.09 1.24 1 17 ARG 6.24 6.26 1 18 SER 4.05 3.69 1 19 GLN 4.69 1.88 1 20 MET 4.25 4.91 1 21 ALA 5.99 3.35 1 22 GLU 3.65 2.93 1 24 PHE 4.97 4.86 1 25 ALA 3.07 3.47 1 26 LYS 3.75 2.73 1 27 THR 4.04 3.89 1 28 LEU 2.04 1.90 1 30 ALA 2.71 1.72 1 32 LYS -1.21 1.05 1 33 ILE -5.73 -1.97 1 34 ALA -3.33 -1.56 1 35 VAL -2.80 -0.71 1 36 THR -2.72 -0.40 1 37 SER -3.33 -0.54 1 40 LEU 4.44 2.74 1 41 GLU -5.27 -2.10 1 42 SER -1.88 -0.39 1 43 SER -0.44 -0.64 1 44 ARG -2.97 -1.69 1 45 VAL 4.41 2.51 1 48 THR 6.22 4.05 1 49 ALA 4.65 3.69 1 50 ILE 5.20 4.49 1 51 ALA 3.88 2.93 1 52 MET -0.99 1.07 1 53 MET 3.51 -0.34 1 54 GLU 3.95 3.18 1 55 GLU 2.11 2.61 1 56 VAL -0.09 -2.49 1 58 ILE -2.74 -0.44 1 59 ASP -1.73 -1.75 1 60 ILE 0.86 0.08 1 61 SER 4.21 3.58 1 63 GLN 1.22 0.46 1 64 THR -1.98 -1.73 1 65 SER -2.41 -2.57 1 68 ILE 3.06 3.58 1 69 GLU 3.74 2.42 1 70 ASN 1.71 0.02 1 71 PHE -3.84 -0.36 1 72 ASN -2.66 -1.74 1 73 ALA 3.28 2.47 1 74 ASP 1.59 1.08 1 75 ASP 1.94 1.25 1 76 TYR 0.39 1.58 1 77 ASP -1.95 1.85 1 78 VAL -4.43 -2.13 1 79 VAL -3.81 -1.26 1 81 SER -4.00 -2.75 1 82 LEU -0.83 -0.30 1 87 VAL -0.54 -0.41 1 88 ASN -2.38 -0.82 1 89 LEU 1.05 -0.08 1 92 GLU 4.84 2.60 1 93 TRP 1.93 2.34 1 94 VAL 0.24 -1.78 1 95 THR 0.16 -1.03 1 96 GLN 1.29 -1.69 1 97 GLU 4.94 4.46 1 98 ILE -3.52 -0.80 1 99 PHE -3.62 -0.81 1 100 GLU -6.33 -1.50 1 101 ASP -3.60 -1.59 1 102 TRP -3.96 -3.69 1 103 GLN 2.61 0.30 1 104 LEU -4.69 -2.01 1 105 GLU -0.30 -0.01 1 106 ASP -2.35 -1.68 1 108 ASP 2.16 2.92 1 110 GLN -1.52 -1.32 1 111 SER -1.92 -0.37 1 112 LEU 4.30 3.28 1 113 GLU 4.15 3.42 1 114 VAL 6.35 4.45 1 115 PHE 5.83 6.32 1 116 ARG 6.11 5.22 1 117 THR 6.45 5.14 1 118 VAL 5.57 4.43 1 119 ARG 4.46 4.71 1 121 GLN 3.31 2.85 1 122 VAL 6.57 5.02 1 123 LYS 6.06 4.93 1 124 GLU 2.69 2.48 1 125 ARG 7.14 2.98 1 126 VAL 7.49 5.70 1 127 GLU 4.50 4.06 1 128 ASN 3.46 3.01 1 129 LEU 3.04 3.10 1 130 ILE 5.66 4.17 1 131 ALA 3.24 2.33 1 132 LYS 1.80 2.00 1 133 ILE 0.49 0.42 1 134 SER 0.88 2.64 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17074_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.33 _LACS_plot.Line_1_terminator_val_y_1 4.01 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.26 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.47 _LACS_plot.Line_2_terminator_val_x_2 7.49 _LACS_plot.Line_2_terminator_val_y_2 -1.51 _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 66 ASP -5.71 5.60 0 46 HIS -1.42 4.70 0 80 ILE -4.07 -1.32 0 10 VAL -4.64 2.07 1 12 LYS 5.92 -0.09 1 13 ARG -1.03 0.57 1 14 ASN 0.52 0.25 1 15 SER -2.09 3.33 1 17 ARG 6.24 0.02 1 18 SER 4.05 -0.36 1 19 GLN 4.69 -2.81 1 20 MET 4.25 0.66 1 21 ALA 5.99 -2.64 1 22 GLU 3.65 -0.72 1 24 PHE 4.97 -0.11 1 25 ALA 3.07 0.40 1 26 LYS 3.75 -1.02 1 27 THR 4.04 -0.15 1 28 LEU 2.04 -0.14 1 30 ALA 2.71 -0.99 1 32 LYS -1.21 2.26 1 33 ILE -5.73 3.76 1 34 ALA -3.33 1.77 1 35 VAL -2.80 2.09 1 36 THR -2.72 2.32 1 37 SER -3.33 2.79 1 40 LEU 4.44 -1.70 1 41 GLU -5.27 3.17 1 42 SER -1.88 1.49 1 43 SER -0.44 -0.20 1 44 ARG -2.97 1.28 1 45 VAL 4.41 -1.90 1 48 THR 6.22 -2.17 1 49 ALA 4.65 -0.96 1 50 ILE 5.20 -0.71 1 51 ALA 3.88 -0.95 1 52 MET -0.99 2.06 1 53 MET 3.51 -3.85 1 54 GLU 3.95 -0.77 1 55 GLU 2.11 0.50 1 56 VAL -0.09 -2.40 1 58 ILE -2.74 2.30 1 59 ASP -1.73 -0.02 1 60 ILE 0.86 -0.78 1 61 SER 4.21 -0.63 1 63 GLN 1.22 -0.76 1 64 THR -1.98 0.25 1 65 SER -2.41 -0.16 1 68 ILE 3.06 0.52 1 69 GLU 3.74 -1.32 1 70 ASN 1.71 -1.69 1 71 PHE -3.84 3.48 1 72 ASN -2.66 0.92 1 73 ALA 3.28 -0.81 1 74 ASP 1.59 -0.51 1 75 ASP 1.94 -0.69 1 76 TYR 0.39 1.19 1 77 ASP -1.95 3.80 1 78 VAL -4.43 2.30 1 79 VAL -3.81 2.55 1 81 SER -4.00 1.25 1 82 LEU -0.83 0.53 1 87 VAL -0.54 0.13 1 88 ASN -2.38 1.56 1 89 LEU 1.05 -1.13 1 92 GLU 4.84 -2.24 1 93 TRP 1.93 0.41 1 94 VAL 0.24 -2.02 1 95 THR 0.16 -1.19 1 96 GLN 1.29 -2.98 1 97 GLU 4.94 -0.48 1 98 ILE -3.52 2.72 1 99 PHE -3.62 2.81 1 100 GLU -6.33 4.83 1 101 ASP -3.60 2.01 1 102 TRP -3.96 0.27 1 103 GLN 2.61 -2.31 1 104 LEU -4.69 2.68 1 105 GLU -0.30 0.29 1 106 ASP -2.35 0.67 1 108 ASP 2.16 0.76 1 110 GLN -1.52 0.20 1 111 SER -1.92 1.55 1 112 LEU 4.30 -1.02 1 113 GLU 4.15 -0.73 1 114 VAL 6.35 -1.90 1 115 PHE 5.83 0.49 1 116 ARG 6.11 -0.89 1 117 THR 6.45 -1.31 1 118 VAL 5.57 -1.14 1 119 ARG 4.46 0.25 1 121 GLN 3.31 -0.46 1 122 VAL 6.57 -1.55 1 123 LYS 6.06 -1.13 1 124 GLU 2.69 -0.21 1 125 ARG 7.14 -4.16 1 126 VAL 7.49 -1.79 1 127 GLU 4.50 -0.44 1 128 ASN 3.46 -0.45 1 129 LEU 3.04 0.06 1 130 ILE 5.66 -1.49 1 131 ALA 3.24 -0.91 1 132 LYS 1.80 0.20 1 133 ILE 0.49 -0.07 1 134 SER 0.88 1.76 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17074_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.33 _LACS_plot.Line_1_terminator_val_y_1 0.66 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.14 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.26 _LACS_plot.Line_2_terminator_val_x_2 7.49 _LACS_plot.Line_2_terminator_val_y_2 -0.66 _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 73 ALA 3.28 -2.34 0 10 VAL -4.64 1.05 1 12 LYS 5.92 -0.29 1 13 ARG -1.03 0.80 1 14 ASN 0.52 -0.54 1 15 SER -2.09 0.81 1 17 ARG 6.24 -0.57 1 18 SER 4.05 -0.70 1 19 GLN 4.69 -0.29 1 20 MET 4.25 -0.63 1 21 ALA 5.99 -0.72 1 22 GLU 3.65 -0.62 1 24 PHE 4.97 -0.23 1 25 ALA 3.07 -0.39 1 26 LYS 3.75 -0.10 1 27 THR 4.04 -0.10 1 28 LEU 2.04 0.02 1 30 ALA 2.71 -0.02 1 32 LYS -1.21 0.27 1 33 ILE -5.73 0.90 1 34 ALA -3.33 0.61 1 35 VAL -2.80 1.12 1 36 THR -2.72 0.13 1 37 SER -3.33 1.18 1 40 LEU 4.44 -0.27 1 41 GLU -5.27 0.16 1 42 SER -1.88 -0.23 1 43 SER -0.44 -0.03 1 44 ARG -2.97 0.34 1 45 VAL 4.41 -0.31 1 46 HIS -1.42 -0.69 1 48 THR 6.22 -0.37 1 49 ALA 4.65 -0.39 1 50 ILE 5.20 -0.77 1 51 ALA 3.88 -0.05 1 52 MET -0.99 0.03 1 53 MET 3.51 0.35 1 54 GLU 3.95 -0.42 1 55 GLU 2.11 -0.18 1 56 VAL -0.09 0.63 1 58 ILE -2.74 -0.03 1 59 ASP -1.73 0.09 1 60 ILE 0.86 0.31 1 61 SER 4.21 -0.68 1 63 GLN 1.22 0.08 1 64 THR -1.98 0.10 1 65 SER -2.41 0.50 1 66 ASP -5.71 0.54 1 68 ILE 3.06 0.00 1 69 GLU 3.74 0.02 1 70 ASN 1.71 -0.19 1 71 PHE -3.84 0.29 1 72 ASN -2.66 0.27 1 74 ASP 1.59 -0.37 1 75 ASP 1.94 -0.44 1 76 TYR 0.39 -0.44 1 77 ASP -1.95 0.32 1 78 VAL -4.43 0.47 1 79 VAL -3.81 0.59 1 80 ILE -4.07 0.22 1 81 SER -4.00 0.75 1 82 LEU -0.83 0.86 1 87 VAL -0.54 0.01 1 88 ASN -2.38 0.27 1 89 LEU 1.05 -0.26 1 92 GLU 4.84 -0.45 1 93 TRP 1.93 -0.53 1 94 VAL 0.24 0.06 1 95 THR 0.16 0.16 1 96 GLN 1.29 0.07 1 97 GLU 4.94 -0.44 1 98 ILE -3.52 0.30 1 99 PHE -3.62 1.29 1 100 GLU -6.33 -0.10 1 101 ASP -3.60 0.36 1 102 TRP -3.96 0.41 1 103 GLN 2.61 -0.07 1 104 LEU -4.69 0.32 1 105 GLU -0.30 -0.41 1 106 ASP -2.35 -0.46 1 108 ASP 2.16 -0.43 1 110 GLN -1.52 0.39 1 111 SER -1.92 0.01 1 112 LEU 4.30 -0.14 1 113 GLU 4.15 -0.24 1 114 VAL 6.35 -0.40 1 115 PHE 5.83 -0.96 1 116 ARG 6.11 -0.52 1 117 THR 6.45 -0.40 1 118 VAL 5.57 -0.25 1 119 ARG 4.46 -0.25 1 121 GLN 3.31 -0.25 1 122 VAL 6.57 -0.78 1 123 LYS 6.06 -1.73 1 124 GLU 2.69 -0.37 1 125 ARG 7.14 -0.79 1 126 VAL 7.49 -0.29 1 127 GLU 4.50 -0.57 1 128 ASN 3.46 -0.32 1 129 LEU 3.04 -0.03 1 130 ILE 5.66 -0.67 1 131 ALA 3.24 -0.12 1 132 LYS 1.80 0.03 1 133 ILE 0.49 0.37 1 134 SER 0.88 -0.11 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17074_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.33 _LACS_plot.Line_1_terminator_val_y_1 -2.39 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.71 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.72 _LACS_plot.Line_2_terminator_val_x_2 7.49 _LACS_plot.Line_2_terminator_val_y_2 2.56 _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 134 SER 0.88 3.75 0 100 GLU -6.33 -4.74 0 52 MET -0.99 3.39 0 46 HIS -1.42 3.20 0 10 VAL -4.64 -1.03 1 13 ARG -1.03 -0.93 1 14 ASN 0.52 -0.39 1 15 SER -2.09 1.13 1 17 ARG 6.24 2.38 1 18 SER 4.05 1.36 1 19 GLN 4.69 3.82 1 20 MET 4.25 0.75 1 21 ALA 5.99 -0.50 1 22 GLU 3.65 1.01 1 24 PHE 4.97 2.02 1 25 ALA 3.07 1.59 1 26 LYS 3.75 1.26 1 27 THR 4.04 1.83 1 28 LEU 2.04 0.92 1 30 ALA 2.71 0.82 1 32 LYS -1.21 -0.66 1 33 ILE -5.73 -2.85 1 34 ALA -3.33 -0.71 1 35 VAL -2.80 -1.84 1 36 THR -2.72 -3.49 1 37 SER -3.33 -1.61 1 40 LEU 4.44 1.11 1 41 GLU -5.27 -2.57 1 42 SER -1.88 -0.14 1 43 SER -0.44 -1.19 1 44 ARG -2.97 -1.46 1 45 VAL 4.41 -1.05 1 48 THR 6.22 2.21 1 49 ALA 4.65 1.28 1 50 ILE 5.20 3.03 1 51 ALA 3.88 3.05 1 53 MET 3.51 2.77 1 54 GLU 3.95 4.11 1 55 GLU 2.11 1.52 1 56 VAL -0.09 -0.50 1 58 ILE -2.74 -2.93 1 59 ASP -1.73 1.02 1 60 ILE 0.86 0.59 1 61 SER 4.21 0.43 1 63 GLN 1.22 -1.21 1 64 THR -1.98 0.65 1 65 SER -2.41 -0.04 1 66 ASP -5.71 -2.15 1 68 ILE 3.06 -0.12 1 69 GLU 3.74 0.20 1 70 ASN 1.71 -1.16 1 71 PHE -3.84 -2.74 1 72 ASN -2.66 -0.32 1 73 ALA 3.28 -0.51 1 74 ASP 1.59 1.23 1 75 ASP 1.94 -0.69 1 76 TYR 0.39 -1.94 1 77 ASP -1.95 -1.92 1 78 VAL -4.43 -2.73 1 79 VAL -3.81 -3.67 1 80 ILE -4.07 -0.28 1 81 SER -4.00 0.25 1 82 LEU -0.83 -0.71 1 87 VAL -0.54 -1.80 1 88 ASN -2.38 -0.58 1 89 LEU 1.05 -1.53 1 92 GLU 4.84 1.02 1 93 TRP 1.93 0.38 1 94 VAL 0.24 0.56 1 95 THR 0.16 0.90 1 96 GLN 1.29 -0.82 1 97 GLU 4.94 0.87 1 98 ILE -3.52 -1.21 1 99 PHE -3.62 -0.35 1 101 ASP -3.60 -0.71 1 102 TRP -3.96 -0.54 1 103 GLN 2.61 -1.81 1 104 LEU -4.69 -0.94 1 105 GLU -0.30 -2.57 1 106 ASP -2.35 1.29 1 108 ASP 2.16 1.71 1 110 GLN -1.52 -0.99 1 111 SER -1.92 0.55 1 112 LEU 4.30 1.41 1 113 GLU 4.15 3.02 1 114 VAL 6.35 2.41 1 115 PHE 5.83 3.08 1 116 ARG 6.11 3.29 1 117 THR 6.45 2.62 1 119 ARG 4.46 1.76 1 121 GLN 3.31 3.51 1 122 VAL 6.57 0.53 1 123 LYS 6.06 0.61 1 124 GLU 2.69 2.37 1 125 ARG 7.14 3.13 1 126 VAL 7.49 1.06 1 127 GLU 4.50 3.35 1 128 ASN 3.46 1.84 1 129 LEU 3.04 0.94 1 130 ILE 5.66 1.97 1 131 ALA 3.24 1.38 1 132 LYS 1.80 1.94 1 133 ILE 0.49 -1.36 1 stop_ save_