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 bmr17957_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.47 _LACS_plot.Line_1_terminator_val_y_1 -2.98 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.24 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -2.03 _LACS_plot.Line_2_terminator_val_x_2 8.09 _LACS_plot.Line_2_terminator_val_y_2 6.23 _LACS_plot.Y_axis_chem_shift_offset 0.58 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 34 HIS -8.47 -0.63 0 10 ALA 4.19 3.00 1 11 GLU 3.67 2.89 1 12 GLU 1.71 2.61 1 13 GLU 4.71 3.94 1 14 LYS 4.05 3.15 1 15 ALA 3.41 2.10 1 16 ILE 5.19 3.97 1 17 VAL 6.67 5.12 1 18 ASP 4.54 2.85 1 19 ALA 3.72 2.47 1 20 ILE 6.39 5.73 1 21 ARG 4.87 2.99 1 22 ASP 4.40 3.07 1 23 ALA 3.34 2.93 1 24 GLU 3.28 1.58 1 25 LYS 1.05 0.02 1 26 ASN -1.56 -0.05 1 27 THR -5.07 -4.67 1 28 SER 0.05 0.61 1 30 GLU -6.41 -2.28 1 31 ILE -5.08 -1.36 1 32 ARG -4.60 -0.78 1 33 VAL -4.42 -2.50 1 35 LEU -5.39 -2.91 1 36 GLU -4.53 -2.47 1 37 LYS 5.22 5.21 1 38 THR -2.04 -2.27 1 39 SER -1.72 -0.96 1 40 GLU 1.45 1.50 1 41 ILE -2.96 -1.61 1 42 ASP -0.43 1.16 1 43 VAL 4.82 3.22 1 44 PHE 5.74 4.49 1 45 ASP 6.01 2.81 1 46 ARG 3.45 1.14 1 47 ALA 4.21 2.51 1 48 MET 3.66 3.51 1 49 ASP 4.05 3.13 1 50 VAL 7.23 4.78 1 51 PHE 4.16 3.91 1 52 HIS 5.29 4.67 1 53 ASN 4.04 3.16 1 54 LEU -1.11 -0.70 1 55 LYS 5.42 0.43 1 56 MET 5.68 1.40 1 57 ASP 0.99 -1.17 1 58 ASN 0.76 -0.91 1 59 THR -3.30 -2.20 1 60 LYS 4.02 3.40 1 61 LEU -0.34 -2.27 1 62 GLN 3.66 0.74 1 63 ASN 1.37 -2.42 1 65 VAL -3.98 -1.31 1 66 LEU -8.35 -3.23 1 67 ILE 1.31 -0.01 1 68 TYR -2.90 -0.91 1 69 VAL -2.85 -1.39 1 70 ALA -1.66 -3.29 1 71 VAL 4.62 3.83 1 72 GLU 3.62 2.66 1 73 ASP -0.42 -0.17 1 74 LYS 4.98 0.98 1 75 THR -2.16 -1.06 1 76 PHE -5.96 -2.78 1 77 VAL -5.87 -1.36 1 78 ILE -0.56 -1.02 1 79 TYR -2.53 -0.51 1 81 ASP -2.41 -2.25 1 82 LYS 2.47 3.09 1 84 ILE 2.52 2.54 1 85 ASN 3.92 2.74 1 86 ASP 1.96 2.06 1 87 VAL -2.15 -0.88 1 88 VAL -1.63 -1.56 1 89 SER -1.67 -0.97 1 90 ASP 3.41 2.85 1 91 ASP -0.44 -1.31 1 92 PHE 3.11 4.21 1 93 TRP -1.87 -1.48 1 94 ASP 6.88 4.92 1 95 THR 5.33 3.76 1 96 THR 8.09 6.49 1 97 ARG 5.42 4.39 1 98 ASN 3.63 2.95 1 99 ALA 3.26 2.27 1 100 ILE 4.61 3.45 1 101 GLN 4.04 3.50 1 102 LEU 3.17 3.09 1 103 GLN 2.77 0.85 1 104 PHE 5.04 2.06 1 105 LYS 3.89 2.71 1 106 GLN -1.46 -0.85 1 108 ASN -0.77 -2.58 1 109 PHE 4.35 2.97 1 110 LYS 7.27 3.85 1 111 GLN 2.77 1.83 1 113 LEU 3.53 3.05 1 114 VAL 6.89 5.59 1 115 ASP 4.01 2.75 1 117 ILE 6.11 5.07 1 118 GLU 3.46 2.87 1 119 LYS 3.65 1.89 1 120 ALA 4.26 2.54 1 122 MET 2.77 2.07 1 123 ALA 3.77 2.26 1 124 LEU 2.22 2.74 1 125 ALA 2.64 2.72 1 126 LYS 2.77 2.29 1 127 TYR -2.26 0.87 1 128 PHE -0.05 -0.60 1 130 TRP 2.31 2.01 1 131 LYS -5.11 -2.96 1 132 LYS 3.16 1.94 1 133 ASP 0.70 -1.68 1 134 ASP 0.57 2.21 1 135 ILE -4.46 -2.46 1 136 ASP 1.28 -1.64 1 137 GLU -0.09 2.89 1 138 LEU -2.44 -2.79 1 140 ASN 0.07 -0.31 1 141 THR 0.11 -0.24 1 142 ILE 1.96 1.05 1 143 SER 1.91 -1.18 1 144 LYS -3.69 -1.62 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17957_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.47 _LACS_plot.Line_1_terminator_val_y_1 5.49 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -2.24 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.03 _LACS_plot.Line_2_terminator_val_x_2 8.09 _LACS_plot.Line_2_terminator_val_y_2 -1.86 _LACS_plot.Y_axis_chem_shift_offset 0.58 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 34 HIS -8.47 7.84 0 10 ALA 4.19 -1.19 1 11 GLU 3.67 -0.78 1 12 GLU 1.71 0.90 1 13 GLU 4.71 -0.77 1 14 LYS 4.05 -0.90 1 15 ALA 3.41 -1.31 1 16 ILE 5.19 -1.22 1 17 VAL 6.67 -1.55 1 18 ASP 4.54 -1.69 1 19 ALA 3.72 -1.25 1 20 ILE 6.39 -0.66 1 21 ARG 4.87 -1.88 1 22 ASP 4.40 -1.33 1 23 ALA 3.34 -0.41 1 24 GLU 3.28 -1.70 1 25 LYS 1.05 -1.03 1 26 ASN -1.56 1.51 1 27 THR -5.07 0.40 1 28 SER 0.05 0.56 1 30 GLU -6.41 4.13 1 31 ILE -5.08 3.72 1 32 ARG -4.60 3.82 1 33 VAL -4.42 1.92 1 35 LEU -5.39 2.48 1 36 GLU -4.53 2.06 1 37 LYS 5.22 -0.01 1 38 THR -2.04 -0.23 1 39 SER -1.72 0.76 1 40 GLU 1.45 0.05 1 41 ILE -2.96 1.35 1 42 ASP -0.43 1.59 1 43 VAL 4.82 -1.60 1 44 PHE 5.74 -1.25 1 45 ASP 6.01 -3.20 1 46 ARG 3.45 -2.31 1 47 ALA 4.21 -1.70 1 48 MET 3.66 -0.15 1 49 ASP 4.05 -0.92 1 50 VAL 7.23 -2.45 1 51 PHE 4.16 -0.25 1 52 HIS 5.29 -0.62 1 53 ASN 4.04 -0.88 1 54 LEU -1.11 0.41 1 55 LYS 5.42 -4.99 1 56 MET 5.68 -4.28 1 57 ASP 0.99 -2.16 1 58 ASN 0.76 -1.67 1 59 THR -3.30 1.10 1 60 LYS 4.02 -0.62 1 61 LEU -0.34 -1.93 1 62 GLN 3.66 -2.92 1 63 ASN 1.37 -3.79 1 65 VAL -3.98 2.67 1 66 LEU -8.35 5.12 1 67 ILE 1.31 -1.32 1 68 TYR -2.90 1.99 1 69 VAL -2.85 1.46 1 70 ALA -1.66 -1.63 1 71 VAL 4.62 -0.79 1 72 GLU 3.62 -0.96 1 73 ASP -0.42 0.25 1 74 LYS 4.98 -4.00 1 75 THR -2.16 1.10 1 76 PHE -5.96 3.18 1 77 VAL -5.87 4.51 1 78 ILE -0.56 -0.46 1 79 TYR -2.53 2.02 1 81 ASP -2.41 0.16 1 82 LYS 2.47 0.62 1 84 ILE 2.52 0.02 1 85 ASN 3.92 -1.18 1 86 ASP 1.96 0.10 1 87 VAL -2.15 1.27 1 88 VAL -1.63 0.07 1 89 SER -1.67 0.70 1 90 ASP 3.41 -0.56 1 91 ASP -0.44 -0.87 1 92 PHE 3.11 1.10 1 93 TRP -1.87 0.39 1 94 ASP 6.88 -1.96 1 95 THR 5.33 -1.57 1 96 THR 8.09 -1.60 1 97 ARG 5.42 -1.03 1 98 ASN 3.63 -0.68 1 99 ALA 3.26 -0.99 1 100 ILE 4.61 -1.16 1 101 GLN 4.04 -0.54 1 102 LEU 3.17 -0.08 1 103 GLN 2.77 -1.92 1 104 PHE 5.04 -2.98 1 105 LYS 3.89 -1.18 1 106 GLN -1.46 0.61 1 108 ASN -0.77 -1.81 1 109 PHE 4.35 -1.38 1 110 LYS 7.27 -3.42 1 111 GLN 2.77 -0.94 1 113 LEU 3.53 -0.48 1 114 VAL 6.89 -1.30 1 115 ASP 4.01 -1.26 1 117 ILE 6.11 -1.04 1 118 GLU 3.46 -0.59 1 119 LYS 3.65 -1.76 1 120 ALA 4.26 -1.72 1 122 MET 2.77 -0.70 1 123 ALA 3.77 -1.51 1 124 LEU 2.22 0.52 1 125 ALA 2.64 0.08 1 126 LYS 2.77 -0.48 1 127 TYR -2.26 3.13 1 128 PHE -0.05 -0.55 1 130 TRP 2.31 -0.30 1 131 LYS -5.11 2.15 1 132 LYS 3.16 -1.22 1 133 ASP 0.70 -2.38 1 134 ASP 0.57 1.64 1 135 ILE -4.46 2.00 1 136 ASP 1.28 -2.92 1 137 GLU -0.09 2.98 1 138 LEU -2.44 -0.35 1 140 ASN 0.07 -0.38 1 141 THR 0.11 -0.35 1 142 ILE 1.96 -0.91 1 143 SER 1.91 -3.09 1 144 LYS -3.69 2.07 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17957_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -8.47 _LACS_plot.Line_1_terminator_val_y_1 0.81 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.28 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.12 _LACS_plot.Line_2_terminator_val_x_2 8.09 _LACS_plot.Line_2_terminator_val_y_2 -0.88 _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 48 MET 3.66 -1.91 0 10 ALA 4.19 -0.28 1 11 GLU 3.67 -0.40 1 12 GLU 1.71 -0.53 1 13 GLU 4.71 -0.71 1 14 LYS 4.05 -0.43 1 15 ALA 3.41 -0.22 1 16 ILE 5.19 -0.68 1 17 VAL 6.67 -0.62 1 18 ASP 4.54 -0.42 1 19 ALA 3.72 -0.13 1 20 ILE 6.39 -0.86 1 21 ARG 4.87 -0.44 1 22 ASP 4.40 -0.40 1 23 ALA 3.34 -0.11 1 24 GLU 3.28 -0.14 1 25 LYS 1.05 -0.58 1 26 ASN -1.56 0.01 1 27 THR -5.07 1.16 1 28 SER 0.05 0.30 1 30 GLU -6.41 0.52 1 31 ILE -5.08 1.00 1 32 ARG -4.60 0.61 1 33 VAL -4.42 0.85 1 34 HIS -8.47 1.01 1 35 LEU -5.39 0.46 1 36 GLU -4.53 0.22 1 37 LYS 5.22 -0.59 1 38 THR -2.04 0.10 1 39 SER -1.72 0.17 1 40 GLU 1.45 -0.23 1 41 ILE -2.96 0.29 1 42 ASP -0.43 -0.36 1 43 VAL 4.82 -0.55 1 44 PHE 5.74 -0.73 1 45 ASP 6.01 -0.53 1 46 ARG 3.45 -0.61 1 47 ALA 4.21 -1.27 1 49 ASP 4.05 -0.31 1 50 VAL 7.23 -0.97 1 51 PHE 4.16 -0.92 1 52 HIS 5.29 -0.41 1 53 ASN 4.04 -0.39 1 54 LEU -1.11 -0.23 1 55 LYS 5.42 -0.37 1 56 MET 5.68 -0.86 1 57 ASP 0.99 -0.15 1 58 ASN 0.76 0.14 1 59 THR -3.30 0.10 1 60 LYS 4.02 -0.40 1 61 LEU -0.34 0.09 1 62 GLN 3.66 -0.63 1 63 ASN 1.37 -0.39 1 65 VAL -3.98 0.69 1 66 LEU -8.35 0.76 1 67 ILE 1.31 0.31 1 68 TYR -2.90 0.34 1 69 VAL -2.85 0.28 1 70 ALA -1.66 0.27 1 71 VAL 4.62 -1.27 1 72 GLU 3.62 -0.39 1 73 ASP -0.42 -0.10 1 74 LYS 4.98 -0.82 1 75 THR -2.16 0.37 1 76 PHE -5.96 1.35 1 77 VAL -5.87 -0.11 1 78 ILE -0.56 0.26 1 79 TYR -2.53 -0.13 1 81 ASP -2.41 -0.39 1 82 LYS 2.47 -0.56 1 84 ILE 2.52 -0.53 1 85 ASN 3.92 -0.62 1 86 ASP 1.96 -0.25 1 87 VAL -2.15 0.35 1 88 VAL -1.63 -0.33 1 89 SER -1.67 0.08 1 90 ASP 3.41 -0.28 1 91 ASP -0.44 -0.03 1 92 PHE 3.11 -0.76 1 93 TRP -1.87 0.07 1 94 ASP 6.88 -0.41 1 95 THR 5.33 -0.35 1 96 THR 8.09 -0.62 1 97 ARG 5.42 -0.51 1 98 ASN 3.63 -0.35 1 99 ALA 3.26 -0.30 1 100 ILE 4.61 -0.97 1 101 GLN 4.04 -0.42 1 102 LEU 3.17 -0.39 1 103 GLN 2.77 0.09 1 104 PHE 5.04 -0.72 1 105 LYS 3.89 -0.19 1 106 GLN -1.46 0.08 1 108 ASN -0.77 0.09 1 109 PHE 4.35 -0.58 1 110 LYS 7.27 -0.71 1 111 GLN 2.77 -0.85 1 113 LEU 3.53 -0.47 1 114 VAL 6.89 -0.85 1 115 ASP 4.01 -0.38 1 117 ILE 6.11 -0.86 1 118 GLU 3.46 -0.35 1 119 LYS 3.65 -0.42 1 120 ALA 4.26 -0.12 1 122 MET 2.77 -0.30 1 123 ALA 3.77 -0.24 1 124 LEU 2.22 -0.07 1 125 ALA 2.64 -0.36 1 126 LYS 2.77 -0.52 1 127 TYR -2.26 -0.48 1 128 PHE -0.05 0.02 1 130 TRP 2.31 -0.63 1 131 LYS -5.11 -0.06 1 132 LYS 3.16 -0.92 1 133 ASP 0.70 -0.29 1 134 ASP 0.57 -0.65 1 135 ILE -4.46 0.13 1 136 ASP 1.28 1.00 1 137 GLU -0.09 -0.62 1 138 LEU -2.44 0.28 1 140 ASN 0.07 -0.01 1 141 THR 0.11 -0.50 1 142 ILE 1.96 -0.19 1 143 SER 1.91 0.01 1 144 LYS -3.69 0.63 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17957_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -8.47 _LACS_plot.Line_1_terminator_val_y_1 -3.52 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.60 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.04 _LACS_plot.Line_2_terminator_val_x_2 8.09 _LACS_plot.Line_2_terminator_val_y_2 2.70 _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 66 LEU -8.35 -2.48 0 52 HIS 5.29 5.29 0 56 MET 5.68 -2.29 0 34 HIS -8.47 -1.31 0 10 ALA 4.19 3.25 1 11 GLU 3.67 2.90 1 12 GLU 1.71 1.53 1 13 GLU 4.71 1.47 1 14 LYS 4.05 0.82 1 15 ALA 3.41 2.75 1 16 ILE 5.19 0.11 1 17 VAL 6.67 2.32 1 18 ASP 4.54 1.68 1 19 ALA 3.72 2.92 1 20 ILE 6.39 0.34 1 21 ARG 4.87 3.24 1 22 ASP 4.40 2.89 1 23 ALA 3.34 3.26 1 24 GLU 3.28 -0.21 1 25 LYS 1.05 -0.58 1 26 ASN -1.56 -0.92 1 27 THR -5.07 -3.85 1 28 SER 0.05 1.73 1 30 GLU -6.41 -2.10 1 31 ILE -5.08 -0.85 1 32 ARG -4.60 -2.56 1 33 VAL -4.42 -2.51 1 35 LEU -5.39 -3.11 1 36 GLU -4.53 -2.25 1 37 LYS 5.22 -1.40 1 38 THR -2.04 -3.28 1 39 SER -1.72 0.99 1 40 GLU 1.45 -0.08 1 41 ILE -2.96 -1.05 1 42 ASP -0.43 1.13 1 43 VAL 4.82 -0.52 1 44 PHE 5.74 1.34 1 45 ASP 6.01 2.08 1 46 ARG 3.45 0.45 1 47 ALA 4.21 0.01 1 48 MET 3.66 1.49 1 49 ASP 4.05 2.66 1 50 VAL 7.23 0.31 1 51 PHE 4.16 1.19 1 53 ASN 4.04 2.36 1 54 LEU -1.11 -1.82 1 55 LYS 5.42 1.05 1 57 ASP 0.99 -0.24 1 58 ASN 0.76 -1.14 1 59 THR -3.30 1.11 1 60 LYS 4.02 2.43 1 61 LEU -0.34 -1.94 1 62 GLN 3.66 -0.94 1 63 ASN 1.37 -1.41 1 65 VAL -3.98 -3.69 1 67 ILE 1.31 -3.11 1 68 TYR -2.90 -1.76 1 69 VAL -2.85 -3.95 1 70 ALA -1.66 -0.18 1 71 VAL 4.62 2.01 1 72 GLU 3.62 1.05 1 73 ASP -0.42 -0.84 1 74 LYS 4.98 -1.68 1 75 THR -2.16 -2.55 1 76 PHE -5.96 -2.55 1 77 VAL -5.87 -2.99 1 78 ILE -0.56 -2.31 1 79 TYR -2.53 -3.16 1 81 ASP -2.41 0.68 1 82 LYS 2.47 -0.25 1 84 ILE 2.52 0.61 1 85 ASN 3.92 1.40 1 86 ASP 1.96 0.94 1 87 VAL -2.15 -0.52 1 88 VAL -1.63 -0.54 1 89 SER -1.67 1.12 1 90 ASP 3.41 0.33 1 91 ASP -0.44 1.31 1 92 PHE 3.11 1.24 1 93 TRP -1.87 0.32 1 94 ASP 6.88 2.25 1 95 THR 5.33 2.93 1 96 THR 8.09 0.71 1 97 ARG 5.42 2.02 1 98 ASN 3.63 1.42 1 99 ALA 3.26 2.00 1 100 ILE 4.61 1.65 1 101 GLN 4.04 1.87 1 102 LEU 3.17 1.95 1 103 GLN 2.77 3.68 1 104 PHE 5.04 4.33 1 105 LYS 3.89 0.69 1 106 GLN -1.46 -0.55 1 108 ASN -0.77 -0.38 1 109 PHE 4.35 1.47 1 110 LYS 7.27 1.08 1 111 GLN 2.77 1.64 1 113 LEU 3.53 -0.12 1 114 VAL 6.89 1.03 1 115 ASP 4.01 3.54 1 117 ILE 6.11 0.35 1 118 GLU 3.46 4.00 1 119 LYS 3.65 2.44 1 120 ALA 4.26 2.43 1 122 MET 2.77 2.20 1 123 ALA 3.77 3.08 1 124 LEU 2.22 1.57 1 125 ALA 2.64 -0.06 1 126 LYS 2.77 -0.05 1 127 TYR -2.26 -1.51 1 128 PHE -0.05 -1.95 1 130 TRP 2.31 -0.79 1 131 LYS -5.11 -2.15 1 132 LYS 3.16 -0.05 1 133 ASP 0.70 -0.98 1 134 ASP 0.57 -0.80 1 135 ILE -4.46 -0.10 1 136 ASP 1.28 -0.15 1 137 GLU -0.09 -0.49 1 138 LEU -2.44 -2.14 1 140 ASN 0.07 -0.74 1 141 THR 0.11 1.71 1 142 ILE 1.96 -0.38 1 143 SER 1.91 -1.68 1 144 LYS -3.69 -0.69 1 stop_ save_