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 bmr16743_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -5.28 _LACS_plot.Line_1_terminator_val_y_1 -2.72 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.01 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.67 _LACS_plot.Line_2_terminator_val_x_2 8.30 _LACS_plot.Line_2_terminator_val_y_2 6.81 _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 98 HIS 1.68 4.86 0 68 TYR 0.03 -3.09 0 10 TRP -0.25 -0.38 1 11 ASN -0.28 -0.38 1 12 LYS -0.04 -0.02 1 14 SER -0.43 -0.24 1 15 LYS 0.00 0.00 1 17 LYS 0.31 0.18 1 18 THR -0.28 -0.22 1 19 ASN 0.10 -0.03 1 20 MET 0.26 0.12 1 21 LYS 0.50 0.35 1 22 HIS 0.04 0.72 1 23 MET -0.25 -0.24 1 24 ALA 0.05 0.18 1 26 ALA -0.07 0.08 1 27 ALA -0.08 -0.05 1 28 ALA -0.02 0.00 1 29 ALA 0.16 0.18 1 31 ALA -0.31 -0.18 1 32 VAL 0.22 -0.06 1 33 VAL 0.55 0.29 1 36 LEU -0.38 -0.24 1 39 TYR -1.41 0.10 1 40 MET -3.76 -1.82 1 41 LEU -3.20 -1.62 1 43 SER -0.15 0.10 1 44 ALA 1.12 0.48 1 45 MET -4.63 -1.37 1 46 SER 0.72 0.20 1 47 ARG 1.75 0.83 1 49 ILE 2.32 -0.02 1 50 ILE -2.81 -1.83 1 51 HIS -1.62 -0.90 1 52 PHE -0.74 1.32 1 54 SER -3.78 -1.63 1 55 ASP 3.61 3.29 1 56 TYR 4.22 3.46 1 57 GLU 2.81 3.31 1 58 ASP 4.10 4.14 1 59 ARG 4.52 3.43 1 60 TYR 5.15 4.36 1 61 TYR 5.63 5.31 1 62 ARG 5.05 3.91 1 63 GLU 1.29 1.40 1 64 ASN -0.93 1.75 1 65 MET 6.48 3.99 1 66 HIS 2.87 2.77 1 67 ARG 0.37 0.13 1 70 ASN -0.66 -1.06 1 71 GLN -5.28 -1.41 1 72 VAL -3.98 -3.35 1 73 TYR -4.25 -0.81 1 74 TYR -3.82 -2.31 1 75 ARG -1.57 -1.31 1 77 MET 2.19 1.72 1 78 ASP 0.55 0.62 1 79 GLU -1.13 -1.20 1 80 TYR 2.95 2.14 1 81 SER 0.16 0.17 1 82 ASN -1.27 -0.77 1 83 GLN 4.50 4.01 1 84 ASN 4.44 3.50 1 85 ASN 3.82 2.84 1 86 PHE 3.34 3.37 1 87 VAL 6.73 5.62 1 88 HIS 5.14 4.58 1 89 ASP 3.01 3.20 1 91 VAL 5.33 4.46 1 92 ASN 3.67 3.63 1 93 ILE 3.71 1.40 1 94 THR 8.30 7.09 1 95 ILE 6.87 5.63 1 96 LYS 4.52 3.87 1 97 GLN 3.97 2.39 1 99 THR 5.71 4.79 1 100 VAL 4.75 3.94 1 101 THR 4.14 3.51 1 102 THR 4.29 3.52 1 103 THR 4.20 3.44 1 104 THR 3.48 2.70 1 105 LYS 0.78 0.15 1 107 GLU -2.63 -1.14 1 108 ASN -2.83 -0.42 1 109 PHE -2.26 -1.32 1 110 THR -3.91 -1.53 1 111 GLU 4.19 3.49 1 112 THR 6.14 4.98 1 113 ASP 3.24 3.96 1 114 VAL 7.19 5.77 1 115 LYS 4.18 2.93 1 116 MET 4.39 4.09 1 117 MET 3.88 5.28 1 118 GLU 5.08 4.20 1 119 ARG 2.82 1.53 1 120 VAL 2.30 2.53 1 121 VAL 3.25 2.51 1 122 GLU 3.53 4.37 1 124 MET 6.39 5.45 1 126 ILE 6.76 5.34 1 127 THR 4.46 2.72 1 128 GLN 5.91 4.18 1 129 TYR 4.03 3.15 1 130 GLU 4.43 3.34 1 131 ARG 2.03 1.56 1 132 GLU 4.92 3.33 1 133 SER 4.28 3.03 1 134 GLN 2.85 2.00 1 135 ALA 3.06 3.24 1 136 TYR 3.07 2.07 1 137 TYR 2.12 1.40 1 138 GLN 1.86 1.50 1 139 ARG 0.56 0.40 1 141 SER 0.68 0.40 1 142 SER -0.14 0.65 1 143 HIS 1.46 2.17 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr16743_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -5.28 _LACS_plot.Line_1_terminator_val_y_1 2.56 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.99 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.33 _LACS_plot.Line_2_terminator_val_x_2 8.30 _LACS_plot.Line_2_terminator_val_y_2 -1.49 _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 98 HIS 1.68 3.18 0 68 TYR 0.03 -3.12 0 10 TRP -0.25 -0.13 1 11 ASN -0.28 -0.10 1 12 LYS -0.04 0.02 1 14 SER -0.43 0.19 1 15 LYS 0.00 0.00 1 17 LYS 0.31 -0.13 1 18 THR -0.28 0.06 1 19 ASN 0.10 -0.13 1 20 MET 0.26 -0.14 1 21 LYS 0.50 -0.15 1 22 HIS 0.04 0.68 1 23 MET -0.25 0.01 1 24 ALA 0.05 0.13 1 26 ALA -0.07 0.15 1 27 ALA -0.08 0.03 1 28 ALA -0.02 0.02 1 29 ALA 0.16 0.02 1 31 ALA -0.31 0.13 1 32 VAL 0.22 -0.28 1 33 VAL 0.55 -0.26 1 36 LEU -0.38 0.14 1 39 TYR -1.41 1.51 1 40 MET -3.76 1.94 1 41 LEU -3.20 1.58 1 43 SER -0.15 0.25 1 44 ALA 1.12 -0.64 1 45 MET -4.63 3.26 1 46 SER 0.72 -0.52 1 47 ARG 1.75 -0.92 1 49 ILE 2.32 -2.34 1 50 ILE -2.81 0.98 1 51 HIS -1.62 0.72 1 52 PHE -0.74 2.06 1 54 SER -3.78 2.15 1 55 ASP 3.61 -0.32 1 56 TYR 4.22 -0.76 1 57 GLU 2.81 0.50 1 58 ASP 4.10 0.04 1 59 ARG 4.52 -1.09 1 60 TYR 5.15 -0.79 1 61 TYR 5.63 -0.32 1 62 ARG 5.05 -1.14 1 63 GLU 1.29 0.11 1 64 ASN -0.93 2.68 1 65 MET 6.48 -2.49 1 66 HIS 2.87 -0.10 1 67 ARG 0.37 -0.24 1 70 ASN -0.66 -0.40 1 71 GLN -5.28 3.87 1 72 VAL -3.98 0.63 1 73 TYR -4.25 3.44 1 74 TYR -3.82 1.51 1 75 ARG -1.57 0.26 1 77 MET 2.19 -0.47 1 78 ASP 0.55 0.07 1 79 GLU -1.13 -0.07 1 80 TYR 2.95 -0.81 1 81 SER 0.16 0.01 1 82 ASN -1.27 0.50 1 83 GLN 4.50 -0.49 1 84 ASN 4.44 -0.94 1 85 ASN 3.82 -0.98 1 86 PHE 3.34 0.03 1 87 VAL 6.73 -1.11 1 88 HIS 5.14 -0.56 1 89 ASP 3.01 0.19 1 91 VAL 5.33 -0.87 1 92 ASN 3.67 -0.04 1 93 ILE 3.71 -2.31 1 94 THR 8.30 -1.21 1 95 ILE 6.87 -1.24 1 96 LYS 4.52 -0.65 1 97 GLN 3.97 -1.58 1 99 THR 5.71 -0.92 1 100 VAL 4.75 -0.81 1 101 THR 4.14 -0.63 1 102 THR 4.29 -0.77 1 103 THR 4.20 -0.76 1 104 THR 3.48 -0.78 1 105 LYS 0.78 -0.63 1 107 GLU -2.63 1.49 1 108 ASN -2.83 2.41 1 109 PHE -2.26 0.94 1 110 THR -3.91 2.38 1 111 GLU 4.19 -0.70 1 112 THR 6.14 -1.16 1 113 ASP 3.24 0.72 1 114 VAL 7.19 -1.42 1 115 LYS 4.18 -1.25 1 116 MET 4.39 -0.30 1 117 MET 3.88 1.40 1 118 GLU 5.08 -0.88 1 119 ARG 2.82 -1.29 1 120 VAL 2.30 0.23 1 121 VAL 3.25 -0.74 1 122 GLU 3.53 0.84 1 124 MET 6.39 -0.94 1 126 ILE 6.76 -1.42 1 127 THR 4.46 -1.74 1 128 GLN 5.91 -1.73 1 129 TYR 4.03 -0.88 1 130 GLU 4.43 -1.09 1 131 ARG 2.03 -0.47 1 132 GLU 4.92 -1.59 1 133 SER 4.28 -1.25 1 134 GLN 2.85 -0.85 1 135 ALA 3.06 0.18 1 136 TYR 3.07 -1.00 1 137 TYR 2.12 -0.72 1 138 GLN 1.86 -0.36 1 139 ARG 0.56 -0.16 1 141 SER 0.68 -0.28 1 142 SER -0.14 0.79 1 143 HIS 1.46 0.71 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr16743_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -5.28 _LACS_plot.Line_1_terminator_val_y_1 0.24 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.22 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.04 _LACS_plot.Line_2_terminator_val_x_2 8.30 _LACS_plot.Line_2_terminator_val_y_2 -0.65 _LACS_plot.Y_axis_chem_shift_offset 0.09 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 128 GLN 5.91 -1.68 0 10 TRP -0.25 -0.03 1 11 ASN -0.28 -0.18 1 12 LYS -0.04 -0.20 1 14 SER -0.43 -0.08 1 15 LYS 0.00 -0.03 1 17 LYS 0.31 -0.02 1 18 THR -0.28 -0.07 1 19 ASN 0.10 -0.07 1 20 MET 0.26 -0.07 1 21 LYS 0.50 -0.13 1 22 HIS 0.04 -0.15 1 23 MET -0.25 -0.07 1 24 ALA 0.05 -0.08 1 26 ALA -0.07 -0.07 1 27 ALA -0.08 -0.07 1 28 ALA -0.02 -0.08 1 29 ALA 0.16 -0.06 1 31 ALA -0.31 -0.01 1 32 VAL 0.22 -0.03 1 33 VAL 0.55 -0.08 1 36 LEU -0.38 -0.03 1 39 TYR -1.41 -0.04 1 40 MET -3.76 0.02 1 41 LEU -3.20 0.22 1 43 SER -0.15 -0.09 1 44 ALA 1.12 0.09 1 45 MET -4.63 0.22 1 46 SER 0.72 -0.15 1 47 ARG 1.75 -0.20 1 49 ILE 2.32 -0.08 1 50 ILE -2.81 -0.27 1 51 HIS -1.62 0.14 1 52 PHE -0.74 -0.25 1 54 SER -3.78 0.32 1 55 ASP 3.61 -0.18 1 56 TYR 4.22 -0.40 1 57 GLU 2.81 -0.88 1 58 ASP 4.10 -0.12 1 59 ARG 4.52 -0.40 1 60 TYR 5.15 -0.78 1 61 TYR 5.63 -0.49 1 62 ARG 5.05 -0.47 1 63 GLU 1.29 -0.34 1 64 ASN -0.93 -0.40 1 65 MET 6.48 -1.07 1 66 HIS 2.87 -0.53 1 67 ARG 0.37 -0.26 1 68 TYR 0.03 0.14 1 70 ASN -0.66 -0.17 1 71 GLN -5.28 0.19 1 72 VAL -3.98 0.75 1 73 TYR -4.25 0.93 1 74 TYR -3.82 0.22 1 75 ARG -1.57 -0.07 1 77 MET 2.19 -0.09 1 78 ASP 0.55 -0.14 1 79 GLU -1.13 0.20 1 80 TYR 2.95 -0.29 1 82 ASN -1.27 -0.07 1 84 ASN 4.44 -0.55 1 85 ASN 3.82 -0.23 1 87 VAL 6.73 -0.62 1 88 HIS 5.14 -0.45 1 89 ASP 3.01 -0.11 1 91 VAL 5.33 -0.55 1 92 ASN 3.67 -0.46 1 93 ILE 3.71 -0.45 1 94 THR 8.30 -0.32 1 95 ILE 6.87 -0.60 1 96 LYS 4.52 -0.30 1 97 GLN 3.97 -0.34 1 98 HIS 1.68 -0.20 1 99 THR 5.71 -0.36 1 100 VAL 4.75 -0.27 1 101 THR 4.14 -0.29 1 102 THR 4.29 -0.36 1 103 THR 4.20 0.01 1 104 THR 3.48 -0.20 1 105 LYS 0.78 0.00 1 107 GLU -2.63 -0.10 1 108 ASN -2.83 -0.10 1 109 PHE -2.26 0.75 1 110 THR -3.91 0.27 1 111 GLU 4.19 -0.32 1 112 THR 6.14 -0.58 1 113 ASP 3.24 -0.11 1 114 VAL 7.19 -0.87 1 115 LYS 4.18 -0.28 1 116 MET 4.39 -0.33 1 117 MET 3.88 -0.99 1 118 GLU 5.08 -0.70 1 119 ARG 2.82 -0.22 1 120 VAL 2.30 -0.24 1 121 VAL 3.25 -0.20 1 122 GLU 3.53 -0.31 1 124 MET 6.39 -0.62 1 126 ILE 6.76 -0.40 1 127 THR 4.46 -0.68 1 129 TYR 4.03 -0.70 1 130 GLU 4.43 -0.39 1 131 ARG 2.03 -0.35 1 132 GLU 4.92 -0.63 1 133 SER 4.28 -0.25 1 134 GLN 2.85 -0.20 1 135 ALA 3.06 -0.52 1 136 TYR 3.07 -0.29 1 137 TYR 2.12 -0.20 1 138 GLN 1.86 -0.17 1 139 ARG 0.56 -0.16 1 141 SER 0.68 -0.14 1 142 SER -0.14 -0.15 1 143 HIS 1.46 -0.60 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr16743_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -5.28 _LACS_plot.Line_1_terminator_val_y_1 -2.07 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.94 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.57 _LACS_plot.Line_2_terminator_val_x_2 8.30 _LACS_plot.Line_2_terminator_val_y_2 3.03 _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 98 HIS 1.68 4.43 0 10 TRP -0.25 -0.35 1 11 ASN -0.28 -0.97 1 14 SER -0.43 -0.47 1 17 LYS 0.31 0.27 1 18 THR -0.28 -0.71 1 19 ASN 0.10 -0.09 1 20 MET 0.26 -0.12 1 21 LYS 0.50 -0.31 1 22 HIS 0.04 0.57 1 23 MET -0.25 -0.59 1 24 ALA 0.05 0.31 1 26 ALA -0.07 -0.18 1 27 ALA -0.08 -0.10 1 28 ALA -0.02 -0.24 1 29 ALA 0.16 0.42 1 31 ALA -0.31 -0.24 1 32 VAL 0.22 0.02 1 33 VAL 0.55 0.32 1 36 LEU -0.38 0.27 1 39 TYR -1.41 -0.29 1 40 MET -3.76 -3.33 1 41 LEU -3.20 0.84 1 43 SER -0.15 0.12 1 44 ALA 1.12 -0.18 1 45 MET -4.63 -0.74 1 46 SER 0.72 -0.32 1 49 ILE 2.32 -1.00 1 50 ILE -2.81 -2.80 1 51 HIS -1.62 0.25 1 52 PHE -0.74 0.91 1 54 SER -3.78 -0.62 1 55 ASP 3.61 2.17 1 56 TYR 4.22 1.96 1 57 GLU 2.81 0.82 1 58 ASP 4.10 2.62 1 59 ARG 4.52 1.40 1 60 TYR 5.15 3.62 1 61 TYR 5.63 1.23 1 62 ARG 5.05 3.19 1 63 GLU 1.29 0.71 1 64 ASN -0.93 0.46 1 65 MET 6.48 0.00 1 66 HIS 2.87 1.59 1 67 ARG 0.37 0.33 1 70 ASN -0.66 -2.51 1 71 GLN -5.28 -1.11 1 72 VAL -3.98 -1.95 1 73 TYR -4.25 -1.59 1 77 MET 2.19 -0.50 1 78 ASP 0.55 0.58 1 80 TYR 2.95 0.32 1 82 ASN -1.27 -0.85 1 83 GLN 4.50 0.88 1 84 ASN 4.44 2.66 1 86 PHE 3.34 2.43 1 87 VAL 6.73 0.60 1 88 HIS 5.14 2.94 1 89 ASP 3.01 -0.37 1 91 VAL 5.33 0.80 1 92 ASN 3.67 3.27 1 93 ILE 3.71 1.44 1 94 THR 8.30 2.54 1 95 ILE 6.87 2.32 1 96 LYS 4.52 2.42 1 97 GLN 3.97 2.66 1 99 THR 5.71 1.70 1 100 VAL 4.75 2.14 1 101 THR 4.14 1.82 1 102 THR 4.29 1.99 1 103 THR 4.20 3.05 1 104 THR 3.48 0.38 1 105 LYS 0.78 0.17 1 107 GLU -2.63 -1.71 1 108 ASN -2.83 -1.49 1 109 PHE -2.26 0.69 1 110 THR -3.91 0.89 1 111 GLU 4.19 2.58 1 112 THR 6.14 1.04 1 113 ASP 3.24 0.03 1 114 VAL 7.19 1.07 1 115 LYS 4.18 3.67 1 116 MET 4.39 1.95 1 117 MET 3.88 1.89 1 118 GLU 5.08 1.93 1 119 ARG 2.82 1.21 1 120 VAL 2.30 0.42 1 121 VAL 3.25 1.32 1 124 MET 3.53 2.51 1 126 ILE 6.39 1.53 1 129 TYR 5.91 2.02 1 131 ARG 4.43 3.50 1 132 GLU 2.03 2.37 1 133 SER 4.92 1.42 1 134 GLN 4.28 2.19 1 135 ALA 2.85 1.69 1 136 TYR 3.06 2.05 1 137 TYR 3.07 1.67 1 138 GLN 2.12 1.02 1 139 ARG 1.86 1.16 1 141 SER 0.56 0.38 1 142 SER 0.68 -0.07 1 143 HIS -0.14 -0.41 1 stop_ save_