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 bmr16585_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -9.37 _LACS_plot.Line_1_terminator_val_y_1 -3.26 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.49 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.60 _LACS_plot.Line_2_terminator_val_x_2 7.85 _LACS_plot.Line_2_terminator_val_y_2 5.86 _LACS_plot.Y_axis_chem_shift_offset 0.13 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 75 GLU -8.06 -2.08 0 46 HIS -0.28 3.59 0 73 GLU -9.37 -2.79 0 10 GLU -4.87 -0.84 1 12 ALA -6.57 -0.93 1 13 THR -2.89 -1.19 1 14 LEU 1.19 1.80 1 15 ILE 2.75 3.04 1 16 LYS -2.24 0.29 1 17 ALA 0.68 0.01 1 18 ILE 2.63 2.33 1 19 ASP 0.98 -0.37 1 21 ASP -0.88 -2.76 1 22 THR -0.64 -0.13 1 23 VAL -5.52 -2.12 1 24 LYS -1.73 -0.25 1 25 LEU -5.40 -2.07 1 26 MET 0.60 -0.76 1 27 TYR -4.03 -1.00 1 28 LYS 4.32 1.17 1 30 GLN -3.96 -1.29 1 32 MET -3.50 0.67 1 33 THR 3.37 2.10 1 34 PHE -3.02 -0.21 1 35 ARG -5.63 -3.61 1 36 LEU 0.95 0.37 1 37 LEU -1.01 0.86 1 38 LEU 4.44 2.19 1 39 VAL -5.79 -3.19 1 40 ASP -3.48 -0.74 1 41 THR 0.84 -1.03 1 43 GLU -1.45 -0.24 1 44 THR 0.43 0.27 1 45 LYS 0.54 0.79 1 48 LYS 0.76 0.69 1 49 LYS -0.21 0.04 1 51 VAL 0.17 -0.16 1 52 GLU 0.76 0.48 1 54 TYR 5.36 2.92 1 57 GLU 4.26 3.48 1 58 ALA 4.12 3.33 1 59 SER 4.84 3.74 1 60 ALA 3.29 2.62 1 61 PHE 3.65 4.05 1 62 THR 7.34 5.92 1 63 LYS 3.95 4.16 1 64 LYS 4.14 3.08 1 65 MET 4.87 4.41 1 66 VAL 3.78 2.26 1 67 GLU 3.33 2.61 1 68 ASN 0.14 0.33 1 69 ALA -1.20 -0.97 1 70 LYS 2.55 1.77 1 71 LYS -3.16 -0.73 1 72 ILE -2.00 -2.54 1 74 VAL -4.19 -2.52 1 76 PHE 1.85 2.05 1 77 ASP -4.46 -2.36 1 78 LYS 0.81 1.48 1 80 GLN 1.60 1.44 1 81 ARG 0.31 1.85 1 82 THR -6.48 -3.58 1 83 ASP -3.14 -2.10 1 84 LYS 3.60 1.88 1 85 TYR -0.11 -0.75 1 87 ARG 0.54 -0.29 1 89 LEU -2.13 -2.00 1 90 ALA -6.69 -1.77 1 91 TYR 0.37 -0.76 1 92 ILE -2.59 -2.42 1 93 TYR -4.26 -1.48 1 94 ALA -4.55 -2.61 1 95 ASP 3.88 2.34 1 97 LYS -1.96 -1.79 1 98 MET -1.01 0.67 1 99 VAL 4.12 3.76 1 100 ASN 7.85 3.92 1 101 GLU 2.39 2.94 1 102 ALA 3.76 2.97 1 103 LEU 0.05 2.85 1 104 VAL 3.52 2.66 1 105 ARG 3.73 1.15 1 106 GLN -0.66 -1.60 1 108 LEU -2.87 -1.67 1 109 ALA -7.62 -2.12 1 110 LYS -4.77 -2.24 1 111 VAL 3.11 1.23 1 112 ALA -4.67 -1.29 1 113 TYR 2.95 0.71 1 114 VAL 0.97 0.04 1 115 TYR -1.56 -0.91 1 116 LYS 3.16 2.10 1 118 ASN 1.24 -1.42 1 119 ASN -1.85 -1.00 1 120 THR 5.48 4.79 1 121 HIS -1.29 -1.97 1 122 GLU 4.24 4.67 1 123 GLN 5.99 3.98 1 124 LEU 3.32 3.22 1 125 LEU 5.10 3.91 1 126 ARG 6.26 4.61 1 127 LYS 4.92 3.79 1 128 SER 4.37 4.17 1 129 GLU 1.67 2.79 1 130 ALA 3.93 2.53 1 131 GLN 4.12 2.91 1 132 ALA 3.76 3.21 1 133 LYS 4.00 3.34 1 134 LYS 3.87 3.08 1 135 GLU -0.39 -0.11 1 136 LYS 5.06 0.95 1 137 LEU -0.87 0.19 1 138 ASN 0.15 0.07 1 139 ILE 4.98 3.19 1 140 TRP -2.50 -0.88 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr16585_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -9.37 _LACS_plot.Line_1_terminator_val_y_1 6.11 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.51 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.40 _LACS_plot.Line_2_terminator_val_x_2 7.85 _LACS_plot.Line_2_terminator_val_y_2 -1.99 _LACS_plot.Y_axis_chem_shift_offset 0.13 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 75 GLU -8.06 5.98 0 46 HIS -0.28 3.87 0 73 GLU -9.37 6.58 0 10 GLU -4.87 4.03 1 12 ALA -6.57 5.64 1 13 THR -2.89 1.70 1 14 LEU 1.19 0.61 1 15 ILE 2.75 0.29 1 16 LYS -2.24 2.53 1 17 ALA 0.68 -0.67 1 18 ILE 2.63 -0.30 1 19 ASP 0.98 -1.35 1 21 ASP -0.88 -1.88 1 22 THR -0.64 0.51 1 23 VAL -5.52 3.40 1 24 LYS -1.73 1.48 1 25 LEU -5.40 3.33 1 26 MET 0.60 -1.36 1 27 TYR -4.03 3.03 1 28 LYS 4.32 -3.15 1 30 GLN -3.96 2.67 1 32 MET -3.50 4.17 1 33 THR 3.37 -1.27 1 34 PHE -3.02 2.81 1 35 ARG -5.63 2.02 1 36 LEU 0.95 -0.58 1 37 LEU -1.01 1.87 1 38 LEU 4.44 -2.25 1 39 VAL -5.79 2.60 1 40 ASP -3.48 2.74 1 41 THR 0.84 -1.87 1 43 GLU -1.45 1.21 1 44 THR 0.43 -0.16 1 45 LYS 0.54 0.25 1 48 LYS 0.76 -0.07 1 49 LYS -0.21 0.25 1 51 VAL 0.17 -0.33 1 52 GLU 0.76 -0.28 1 54 TYR 5.36 -2.44 1 57 GLU 4.26 -0.78 1 58 ALA 4.12 -0.79 1 59 SER 4.84 -1.10 1 60 ALA 3.29 -0.67 1 61 PHE 3.65 0.40 1 62 THR 7.34 -1.42 1 63 LYS 3.95 0.21 1 64 LYS 4.14 -1.06 1 65 MET 4.87 -0.46 1 66 VAL 3.78 -1.52 1 67 GLU 3.33 -0.72 1 68 ASN 0.14 0.19 1 69 ALA -1.20 0.23 1 70 LYS 2.55 -0.78 1 71 LYS -3.16 2.43 1 72 ILE -2.00 -0.54 1 74 VAL -4.19 1.67 1 76 PHE 1.85 0.20 1 77 ASP -4.46 2.10 1 78 LYS 0.81 0.67 1 80 GLN 1.60 -0.16 1 81 ARG 0.31 1.54 1 82 THR -6.48 2.90 1 83 ASP -3.14 1.04 1 84 LYS 3.60 -1.72 1 85 TYR -0.11 -0.64 1 87 ARG 0.54 -0.83 1 89 LEU -2.13 0.13 1 90 ALA -6.69 4.92 1 91 TYR 0.37 -1.13 1 92 ILE -2.59 0.17 1 93 TYR -4.26 2.78 1 94 ALA -4.55 1.94 1 95 ASP 3.88 -1.54 1 97 LYS -1.96 0.17 1 98 MET -1.01 1.68 1 99 VAL 4.12 -0.36 1 100 ASN 7.85 -3.93 1 101 GLU 2.39 0.55 1 102 ALA 3.76 -0.79 1 103 LEU 0.05 2.80 1 104 VAL 3.52 -0.86 1 105 ARG 3.73 -2.58 1 106 GLN -0.66 -0.94 1 108 LEU -2.87 1.20 1 109 ALA -7.62 5.50 1 110 LYS -4.77 2.53 1 111 VAL 3.11 -1.88 1 112 ALA -4.67 3.38 1 113 TYR 2.95 -2.24 1 114 VAL 0.97 -0.93 1 115 TYR -1.56 0.65 1 116 LYS 3.16 -1.06 1 118 ASN 1.24 -2.66 1 119 ASN -1.85 0.85 1 120 THR 5.48 -0.69 1 121 HIS -1.29 -0.68 1 122 GLU 4.24 0.43 1 123 GLN 5.99 -2.01 1 124 LEU 3.32 -0.10 1 125 LEU 5.10 -1.19 1 126 ARG 6.26 -1.65 1 127 LYS 4.92 -1.13 1 128 SER 4.37 -0.20 1 129 GLU 1.67 1.12 1 130 ALA 3.93 -1.40 1 131 GLN 4.12 -1.21 1 132 ALA 3.76 -0.55 1 133 LYS 4.00 -0.66 1 134 LYS 3.87 -0.79 1 135 GLU -0.39 0.28 1 136 LYS 5.06 -4.11 1 137 LEU -0.87 1.06 1 138 ASN 0.15 -0.08 1 139 ILE 4.98 -1.79 1 140 TRP -2.50 1.62 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr16585_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -9.37 _LACS_plot.Line_1_terminator_val_y_1 0.97 _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 7.85 _LACS_plot.Line_2_terminator_val_y_2 -0.73 _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 103 LEU 0.05 -1.05 0 22 THR -0.64 1.32 0 10 GLU -4.87 0.43 1 12 ALA -6.57 0.69 1 13 THR -2.89 0.35 1 14 LEU 1.19 -0.21 1 15 ILE 2.75 0.08 1 16 LYS -2.24 0.13 1 17 ALA 0.68 0.13 1 18 ILE 2.63 -0.06 1 19 ASP 0.98 0.02 1 21 ASP -0.88 0.28 1 23 VAL -5.52 0.50 1 24 LYS -1.73 1.10 1 25 LEU -5.40 0.88 1 26 MET 0.60 0.38 1 27 TYR -4.03 0.51 1 28 LYS 4.32 -0.72 1 30 GLN -3.96 0.38 1 32 MET -3.50 0.16 1 33 THR 3.37 0.21 1 34 PHE -3.02 0.34 1 35 ARG -5.63 0.87 1 36 LEU 0.95 0.05 1 37 LEU -1.01 -0.37 1 38 LEU 4.44 -0.24 1 39 VAL -5.79 1.14 1 40 ASP -3.48 0.49 1 41 THR 0.84 0.20 1 43 GLU -1.45 0.05 1 44 THR 0.43 0.00 1 45 LYS 0.54 0.02 1 46 HIS -0.28 -0.12 1 48 LYS 0.76 -0.03 1 49 LYS -0.21 -0.01 1 51 VAL 0.17 0.06 1 52 GLU 0.76 -0.10 1 54 TYR 5.36 -0.11 1 57 GLU 4.26 -0.14 1 58 ALA 4.12 -0.17 1 59 SER 4.84 -0.51 1 60 ALA 3.29 -0.06 1 61 PHE 3.65 -0.56 1 62 THR 7.34 -0.81 1 63 LYS 3.95 -0.77 1 64 LYS 4.14 -0.38 1 65 MET 4.87 -0.59 1 66 VAL 3.78 0.03 1 67 GLU 3.33 -0.40 1 68 ASN 0.14 -0.09 1 69 ALA -1.20 0.18 1 70 LYS 2.55 0.03 1 71 LYS -3.16 0.34 1 72 ILE -2.00 1.09 1 73 GLU -9.37 0.91 1 74 VAL -4.19 0.45 1 75 GLU -8.06 0.78 1 76 PHE 1.85 0.13 1 77 ASP -4.46 0.67 1 78 LYS 0.81 -0.08 1 80 GLN 1.60 -0.23 1 81 ARG 0.31 0.31 1 82 THR -6.48 1.23 1 83 ASP -3.14 0.06 1 84 LYS 3.60 -0.28 1 85 TYR -0.11 0.06 1 87 ARG 0.54 0.11 1 89 LEU -2.13 0.78 1 90 ALA -6.69 0.49 1 91 TYR 0.37 0.06 1 92 ILE -2.59 0.75 1 93 TYR -4.26 0.51 1 94 ALA -4.55 0.64 1 95 ASP 3.88 -0.21 1 97 LYS -1.96 0.34 1 98 MET -1.01 -0.68 1 99 VAL 4.12 -0.41 1 100 ASN 7.85 -0.67 1 101 GLU 2.39 -0.69 1 102 ALA 3.76 -0.24 1 104 VAL 3.52 -0.22 1 105 ARG 3.73 -0.23 1 106 GLN -0.66 -0.04 1 108 LEU -2.87 -0.02 1 109 ALA -7.62 0.15 1 110 LYS -4.77 0.76 1 111 VAL 3.11 0.40 1 112 ALA -4.67 -0.16 1 113 TYR 2.95 -0.65 1 114 VAL 0.97 -0.46 1 115 TYR -1.56 0.26 1 116 LYS 3.16 -0.71 1 118 ASN 1.24 0.54 1 119 ASN -1.85 0.14 1 120 THR 5.48 -0.47 1 121 HIS -1.29 0.73 1 122 GLU 4.24 -0.65 1 123 GLN 5.99 -0.36 1 124 LEU 3.32 -0.23 1 125 LEU 5.10 -0.34 1 126 ARG 6.26 -0.32 1 127 LYS 4.92 -0.16 1 128 SER 4.37 -0.16 1 129 GLU 1.67 -0.49 1 130 ALA 3.93 -0.46 1 131 GLN 4.12 -0.34 1 132 ALA 3.76 -0.38 1 133 LYS 4.00 -0.83 1 134 LYS 3.87 -0.35 1 135 GLU -0.39 -0.30 1 136 LYS 5.06 -0.65 1 137 LEU -0.87 -0.14 1 138 ASN 0.15 -0.87 1 139 ILE 4.98 -0.73 1 140 TRP -2.50 -0.01 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr16585_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -9.37 _LACS_plot.Line_1_terminator_val_y_1 -2.78 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.42 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.88 _LACS_plot.Line_2_terminator_val_x_2 7.85 _LACS_plot.Line_2_terminator_val_y_2 2.18 _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 140 TRP -2.50 3.27 0 73 GLU -9.37 -1.56 0 100 ASN 7.85 -1.02 0 46 HIS -0.28 4.40 0 10 GLU -4.87 -1.60 1 12 ALA -6.57 -2.25 1 13 THR -2.89 -0.59 1 14 LEU 1.19 -0.81 1 15 ILE 2.75 -0.47 1 16 LYS -2.24 -2.56 1 17 ALA 0.68 -2.07 1 18 ILE 2.63 -1.12 1 19 ASP 0.98 0.73 1 21 ASP -0.88 -1.57 1 22 THR -0.64 -0.56 1 23 VAL -5.52 -4.28 1 24 LYS -1.73 -1.36 1 25 LEU -5.40 -3.15 1 26 MET 0.60 -1.07 1 27 TYR -4.03 -1.90 1 28 LYS 4.32 0.43 1 30 GLN -3.96 -1.14 1 32 MET -3.50 -1.92 1 33 THR 3.37 -1.69 1 34 PHE -3.02 -2.00 1 35 ARG -5.63 0.05 1 36 LEU 0.95 -0.43 1 37 LEU -1.01 -0.22 1 38 LEU 4.44 -2.32 1 39 VAL -5.79 -1.81 1 40 ASP -3.48 -0.04 1 41 THR 0.84 2.28 1 43 GLU -1.45 -0.36 1 44 THR 0.43 -0.07 1 45 LYS 0.54 -2.01 1 48 LYS 0.76 0.34 1 49 LYS -0.21 1.78 1 51 VAL 0.17 0.00 1 52 GLU 0.76 0.24 1 54 TYR 5.36 0.33 1 57 GLU 4.26 2.71 1 58 ALA 4.12 0.99 1 59 SER 4.84 2.40 1 60 ALA 3.29 -1.28 1 61 PHE 3.65 2.34 1 62 THR 7.34 0.68 1 63 LYS 3.95 0.30 1 64 LYS 4.14 2.16 1 65 MET 4.87 3.01 1 66 VAL 3.78 1.32 1 67 GLU 3.33 1.47 1 68 ASN 0.14 -0.54 1 69 ALA -1.20 0.12 1 70 LYS 2.55 1.26 1 71 LYS -3.16 -1.85 1 72 ILE -2.00 -1.02 1 74 VAL -4.19 -2.02 1 75 GLU -8.06 -1.02 1 76 PHE 1.85 0.68 1 77 ASP -4.46 1.35 1 78 LYS 0.81 0.54 1 80 GLN 1.60 0.90 1 81 ARG 0.31 -0.06 1 82 THR -6.48 0.06 1 83 ASP -3.14 2.63 1 84 LYS 3.60 -0.08 1 85 TYR -0.11 0.31 1 87 ARG 0.54 0.77 1 89 LEU -2.13 -2.70 1 90 ALA -6.69 -0.73 1 91 TYR 0.37 -1.45 1 92 ILE -2.59 -2.64 1 93 TYR -4.26 -1.98 1 94 ALA -4.55 -2.06 1 95 ASP 3.88 -0.16 1 97 LYS -1.96 -0.58 1 98 MET -1.01 1.33 1 99 VAL 4.12 0.94 1 101 GLU 2.39 4.36 1 102 ALA 3.76 1.85 1 103 LEU 0.05 1.12 1 104 VAL 3.52 4.08 1 105 ARG 3.73 -0.20 1 106 GLN -0.66 -0.31 1 108 LEU -2.87 -4.39 1 109 ALA -7.62 -3.38 1 110 LYS -4.77 -1.08 1 111 VAL 3.11 0.35 1 112 ALA -4.67 -3.38 1 113 TYR 2.95 -0.69 1 114 VAL 0.97 -1.82 1 115 TYR -1.56 -0.16 1 116 LYS 3.16 0.31 1 118 ASN 1.24 -0.80 1 119 ASN -1.85 2.76 1 120 THR 5.48 0.85 1 121 HIS -1.29 -0.06 1 122 GLU 4.24 0.57 1 123 GLN 5.99 2.55 1 124 LEU 3.32 1.50 1 125 LEU 5.10 1.50 1 126 ARG 6.26 3.42 1 127 LYS 4.92 3.26 1 128 SER 4.37 0.99 1 129 GLU 1.67 0.81 1 130 ALA 3.93 3.23 1 131 GLN 4.12 1.31 1 132 ALA 3.76 1.75 1 133 LYS 4.00 4.33 1 134 LYS 3.87 2.09 1 135 GLU -0.39 -1.87 1 136 LYS 5.06 -0.98 1 137 LEU -0.87 -0.67 1 139 ILE 4.98 -0.87 1 stop_ save_