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 bmr18376_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.17 _LACS_plot.Line_1_terminator_val_y_1 -2.66 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.97 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.22 _LACS_plot.Line_2_terminator_val_x_2 6.40 _LACS_plot.Line_2_terminator_val_y_2 5.04 _LACS_plot.Y_axis_chem_shift_offset -0.22 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 30 TYR 3.48 -0.12 0 109 LEU -7.17 -1.60 0 11 SER -0.57 -0.21 1 12 VAL 0.83 0.56 1 13 ALA -0.08 0.22 1 14 ASP 0.14 0.31 1 15 ILE 0.90 0.65 1 16 GLN 1.41 1.22 1 17 GLN 1.03 0.68 1 18 LEU 0.85 0.89 1 19 GLU 0.55 0.87 1 20 GLU 0.16 0.40 1 21 LYS -0.68 -0.29 1 22 VAL -0.50 -0.30 1 23 ASP -0.42 0.07 1 24 GLU 0.38 0.55 1 25 SER 0.83 0.96 1 26 ASP 4.49 3.19 1 27 VAL 5.18 4.84 1 28 ARG 2.77 2.09 1 29 ILE 5.41 4.38 1 31 PHE 5.41 4.90 1 32 ASN 4.17 2.73 1 33 GLU 1.17 2.19 1 34 LYS -3.87 -2.24 1 35 SER -1.12 -0.37 1 36 SER -0.65 -0.45 1 39 LYS -6.29 -1.77 1 40 ILE -6.57 -3.01 1 41 SER -2.05 -0.91 1 42 ILE 5.80 3.53 1 43 ASP 4.33 3.65 1 44 ASN 3.31 1.95 1 45 ALA 4.67 4.27 1 46 SER 5.35 4.54 1 47 TYR 4.72 3.93 1 48 ASN 3.86 2.42 1 49 ALA 5.29 3.72 1 50 ARG 4.48 3.33 1 51 LYS 4.61 3.60 1 52 LEU 0.30 0.34 1 54 LEU -1.65 -1.45 1 55 ALA -2.04 -1.05 1 57 SER -5.55 -2.08 1 58 SER 4.49 3.21 1 59 ILE 3.94 2.83 1 60 ASP 3.79 3.81 1 61 GLU 3.04 2.97 1 62 LYS 3.84 3.37 1 63 LYS 3.91 3.13 1 64 ILE -0.58 -0.21 1 65 LYS 2.82 2.43 1 66 GLU 3.20 2.66 1 67 LEU 2.10 2.37 1 68 TYR -3.53 -0.90 1 70 ASP 0.44 1.55 1 71 ASN -4.78 -1.01 1 72 LEU -2.66 -0.98 1 73 THR -1.58 -0.52 1 74 TYR 6.28 5.17 1 75 GLU 5.53 4.45 1 76 GLN 3.82 2.31 1 77 TYR 3.78 2.21 1 78 LEU 4.11 2.91 1 79 GLU 3.66 3.05 1 80 TYR 3.32 2.29 1 81 LEU 4.74 2.99 1 82 SER 3.55 3.21 1 83 ILE 3.93 3.45 1 85 VAL 2.38 1.34 1 86 HIS 1.25 0.99 1 87 ASP 0.29 0.39 1 88 LYS 0.64 0.41 1 89 ASP 0.84 0.70 1 90 ASN 1.14 1.10 1 91 VAL 4.72 3.60 1 92 GLU 4.05 3.36 1 93 GLU 2.18 2.27 1 94 LEU 3.49 2.60 1 95 ILE 6.19 5.40 1 96 LYS 4.06 3.52 1 97 MET 3.96 2.84 1 98 PHE 4.01 3.35 1 99 ALA 2.95 2.16 1 100 HIS 3.11 4.10 1 101 PHE 1.98 2.10 1 102 ASP -0.41 -2.34 1 104 ASN 0.51 -0.07 1 106 THR 0.60 1.66 1 108 TYR -5.47 -1.60 1 110 THR -2.04 -0.52 1 111 LYS 5.93 5.70 1 112 SER 5.50 4.15 1 113 GLN 2.97 3.48 1 114 MET 2.80 2.30 1 115 LYS 6.32 4.61 1 116 ASN 3.78 3.12 1 117 ILE 3.86 4.15 1 118 LEU 2.64 2.99 1 119 THR 1.54 1.66 1 120 THR 1.53 2.20 1 121 TRP 0.51 0.74 1 123 ASP 0.44 -0.24 1 124 ALA 1.39 1.46 1 125 LEU -2.11 -0.51 1 126 THR -1.73 -0.44 1 127 ASP 3.79 3.73 1 128 GLN 3.05 2.39 1 129 GLU 2.26 2.89 1 130 ALA 3.19 3.10 1 131 ILE 3.62 3.37 1 132 ASP 4.73 3.50 1 133 ALA 3.65 2.63 1 134 LEU 3.41 2.99 1 135 ASN 3.24 1.72 1 136 ALA 2.25 1.23 1 137 PHE 1.36 2.80 1 138 SER -2.36 -0.68 1 139 SER 1.21 1.03 1 140 GLU -1.72 -0.85 1 141 ASP 0.60 2.10 1 142 ASN -1.12 -0.69 1 143 ILE -2.37 -2.23 1 144 ASP -0.72 -1.56 1 145 TYR 3.55 1.51 1 146 LYS 6.41 4.85 1 147 LEU 3.10 2.52 1 148 PHE 4.32 3.89 1 150 GLU 2.57 2.58 1 151 ASP 1.22 2.10 1 152 ILE 1.67 0.41 1 153 LEU 0.38 0.03 1 154 GLN 1.26 2.31 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18376_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.17 _LACS_plot.Line_1_terminator_val_y_1 4.51 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.03 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.78 _LACS_plot.Line_2_terminator_val_x_2 6.40 _LACS_plot.Line_2_terminator_val_y_2 -1.36 _LACS_plot.Y_axis_chem_shift_offset -0.22 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 30 TYR 3.48 -3.60 0 109 LEU -7.17 5.57 0 11 SER -0.57 0.36 1 12 VAL 0.83 -0.27 1 13 ALA -0.08 0.30 1 14 ASP 0.14 0.17 1 15 ILE 0.90 -0.25 1 16 GLN 1.41 -0.19 1 17 GLN 1.03 -0.35 1 18 LEU 0.85 0.04 1 19 GLU 0.55 0.32 1 20 GLU 0.16 0.24 1 21 LYS -0.68 0.39 1 22 VAL -0.50 0.20 1 23 ASP -0.42 0.49 1 24 GLU 0.38 0.17 1 25 SER 0.83 0.13 1 26 ASP 4.49 -1.30 1 27 VAL 5.18 -0.34 1 28 ARG 2.77 -0.68 1 29 ILE 5.41 -1.03 1 31 PHE 5.41 -0.51 1 32 ASN 4.17 -1.44 1 33 GLU 1.17 1.02 1 34 LYS -3.87 1.63 1 35 SER -1.12 0.75 1 36 SER -0.65 0.20 1 39 LYS -6.29 4.52 1 40 ILE -6.57 3.56 1 41 SER -2.05 1.14 1 42 ILE 5.80 -2.27 1 43 ASP 4.33 -0.68 1 44 ASN 3.31 -1.36 1 45 ALA 4.67 -0.40 1 46 SER 5.35 -0.81 1 47 TYR 4.72 -0.79 1 48 ASN 3.86 -1.44 1 49 ALA 5.29 -1.57 1 50 ARG 4.48 -1.15 1 51 LYS 4.61 -1.01 1 52 LEU 0.30 0.04 1 54 LEU -1.65 0.20 1 55 ALA -2.04 0.99 1 57 SER -5.55 3.47 1 58 SER 4.49 -1.28 1 59 ILE 3.94 -1.11 1 60 ASP 3.79 0.02 1 61 GLU 3.04 -0.07 1 62 LYS 3.84 -0.47 1 63 LYS 3.91 -0.78 1 64 ILE -0.58 0.37 1 65 LYS 2.82 -0.39 1 66 GLU 3.20 -0.54 1 67 LEU 2.10 0.27 1 68 TYR -3.53 2.63 1 70 ASP 0.44 1.11 1 71 ASN -4.78 3.77 1 72 LEU -2.66 1.68 1 73 THR -1.58 1.06 1 74 TYR 6.28 -1.11 1 75 GLU 5.53 -1.08 1 76 GLN 3.82 -1.51 1 77 TYR 3.78 -1.57 1 78 LEU 4.11 -1.20 1 79 GLU 3.66 -0.61 1 80 TYR 3.32 -1.03 1 81 LEU 4.74 -1.75 1 82 SER 3.55 -0.34 1 83 ILE 3.93 -0.48 1 85 VAL 2.38 -1.04 1 86 HIS 1.25 -0.26 1 87 ASP 0.29 0.10 1 88 LYS 0.64 -0.23 1 89 ASP 0.84 -0.14 1 90 ASN 1.14 -0.04 1 91 VAL 4.72 -1.12 1 92 GLU 4.05 -0.69 1 93 GLU 2.18 0.09 1 94 LEU 3.49 -0.89 1 95 ILE 6.19 -0.79 1 96 LYS 4.06 -0.54 1 97 MET 3.96 -1.12 1 98 PHE 4.01 -0.66 1 99 ALA 2.95 -0.79 1 100 HIS 3.11 0.99 1 101 PHE 1.98 0.12 1 102 ASP -0.41 -1.93 1 104 ASN 0.51 -0.58 1 106 THR 0.60 1.06 1 108 TYR -5.47 3.87 1 110 THR -2.04 1.52 1 111 LYS 5.93 -0.23 1 112 SER 5.50 -1.35 1 113 GLN 2.97 0.51 1 114 MET 2.80 -0.50 1 115 LYS 6.32 -1.71 1 116 ASN 3.78 -0.66 1 117 ILE 3.86 0.29 1 118 LEU 2.64 0.35 1 119 THR 1.54 0.12 1 120 THR 1.53 0.67 1 121 TRP 0.51 0.23 1 123 ASP 0.44 -0.68 1 124 ALA 1.39 0.07 1 125 LEU -2.11 1.60 1 126 THR -1.73 1.29 1 127 ASP 3.79 -0.06 1 128 GLN 3.05 -0.66 1 129 GLU 2.26 0.63 1 130 ALA 3.19 -0.09 1 131 ILE 3.62 -0.25 1 132 ASP 4.73 -1.23 1 133 ALA 3.65 -1.02 1 134 LEU 3.41 -0.42 1 135 ASN 3.24 -1.52 1 136 ALA 2.25 -1.02 1 137 PHE 1.36 1.44 1 138 SER -2.36 1.68 1 139 SER 1.21 -0.18 1 140 GLU -1.72 0.87 1 141 ASP 0.60 1.50 1 142 ASN -1.12 0.43 1 143 ILE -2.37 0.14 1 144 ASP -0.72 -0.84 1 145 TYR 3.55 -2.04 1 146 LYS 6.41 -1.56 1 147 LEU 3.10 -0.58 1 148 PHE 4.32 -0.43 1 150 GLU 2.57 0.01 1 151 ASP 1.22 0.88 1 152 ILE 1.67 -1.26 1 153 LEU 0.38 -0.35 1 154 GLN 1.26 1.05 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18376_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.17 _LACS_plot.Line_1_terminator_val_y_1 -2.52 _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 -0.47 _LACS_plot.Line_2_terminator_val_x_2 6.40 _LACS_plot.Line_2_terminator_val_y_2 2.53 _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 138 SER -2.36 4.59 0 11 SER -0.57 0.17 1 12 VAL 0.83 -0.43 1 13 ALA -0.08 -0.43 1 14 ASP 0.14 0.27 1 15 ILE 0.90 0.07 1 16 GLN 1.41 0.35 1 17 GLN 1.03 0.29 1 18 LEU 0.85 -0.05 1 19 GLU 0.55 -0.11 1 20 GLU 0.16 -0.19 1 21 LYS -0.68 -0.19 1 22 VAL -0.50 -1.07 1 23 ASP -0.42 -0.23 1 24 GLU 0.38 -0.21 1 25 SER 0.83 0.79 1 26 ASP 4.49 0.45 1 27 VAL 5.18 2.55 1 28 ARG 2.77 1.53 1 29 ILE 5.41 3.22 1 30 TYR 3.48 4.60 1 31 PHE 5.41 0.95 1 32 ASN 4.17 2.53 1 33 GLU 1.17 1.33 1 34 LYS -3.87 -0.61 1 35 SER -1.12 -0.91 1 36 SER -0.65 1.71 1 39 LYS -6.29 -2.31 1 40 ILE -6.57 -3.39 1 41 SER -2.05 1.41 1 42 ILE 5.80 0.89 1 43 ASP 4.33 3.46 1 44 ASN 3.31 1.99 1 45 ALA 4.67 2.04 1 46 SER 5.35 1.09 1 47 TYR 4.72 2.37 1 48 ASN 3.86 1.79 1 49 ALA 5.29 1.66 1 50 ARG 4.48 5.02 1 51 LYS 4.61 1.87 1 52 LEU 0.30 -1.03 1 54 LEU -1.65 -2.29 1 55 ALA -2.04 -2.07 1 57 SER -5.55 1.05 1 58 SER 4.49 2.59 1 59 ILE 3.94 1.23 1 60 ASP 3.79 1.75 1 61 GLU 3.04 1.85 1 62 LYS 3.84 2.19 1 63 LYS 3.91 2.71 1 64 ILE -0.58 0.37 1 65 LYS 2.82 3.88 1 66 GLU 3.20 1.55 1 67 LEU 2.10 1.37 1 68 TYR -3.53 -0.03 1 70 ASP 0.44 -0.15 1 71 ASN -4.78 -1.81 1 72 LEU -2.66 0.59 1 73 THR -1.58 -0.05 1 74 TYR 6.28 0.99 1 75 GLU 5.53 3.16 1 76 GLN 3.82 1.67 1 77 TYR 3.78 0.31 1 78 LEU 4.11 2.94 1 79 GLU 3.66 2.71 1 80 TYR 3.32 1.35 1 81 LEU 4.74 1.37 1 82 SER 3.55 2.47 1 83 ILE 3.93 1.09 1 85 VAL 2.38 -0.49 1 86 HIS 1.25 0.55 1 88 LYS 0.64 -0.11 1 89 ASP 0.84 0.07 1 90 ASN 1.14 1.61 1 91 VAL 4.72 0.11 1 92 GLU 4.05 2.64 1 93 GLU 2.18 2.08 1 94 LEU 3.49 0.57 1 95 ILE 6.19 1.79 1 96 LYS 4.06 2.41 1 97 MET 3.96 1.99 1 98 PHE 4.01 1.93 1 99 ALA 2.95 2.54 1 100 HIS 3.11 2.19 1 101 PHE 1.98 -0.43 1 102 ASP -0.41 0.49 1 104 ASN 0.51 -1.15 1 106 THR 0.60 2.39 1 108 TYR -5.47 -1.17 1 109 LEU -7.17 -1.19 1 110 THR -2.04 2.27 1 111 LYS 5.93 2.03 1 112 SER 5.50 2.39 1 113 GLN 2.97 3.18 1 114 MET 2.80 1.83 1 115 LYS 6.32 1.23 1 116 ASN 3.78 1.85 1 117 ILE 3.86 1.71 1 119 THR 1.54 1.03 1 120 THR 1.53 -0.15 1 121 TRP 0.51 -0.13 1 123 ASP 0.44 -0.57 1 124 ALA 1.39 -0.33 1 125 LEU -2.11 0.03 1 126 THR -1.73 0.33 1 127 ASP 3.79 1.33 1 128 GLN 3.05 3.72 1 129 GLU 2.26 3.40 1 130 ALA 3.19 0.65 1 131 ILE 3.62 1.71 1 132 ASP 4.73 3.32 1 133 ALA 3.65 3.08 1 134 LEU 3.41 0.91 1 135 ASN 3.24 1.95 1 136 ALA 2.25 0.75 1 137 PHE 1.36 0.01 1 139 SER 1.21 0.17 1 140 GLU -1.72 -1.03 1 141 ASP 0.60 -0.81 1 142 ASN -1.12 -1.09 1 143 ILE -2.37 -1.59 1 144 ASP -0.72 -0.81 1 145 TYR 3.55 0.91 1 146 LYS 6.41 1.73 1 147 LEU 3.10 1.74 1 148 PHE 4.32 1.11 1 150 GLU 2.57 1.23 1 151 ASP 1.22 1.43 1 152 ILE 1.67 0.49 1 153 LEU 0.38 -1.43 1 154 GLN 1.26 4.56 1 stop_ save_