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 bmr18377_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.12 _LACS_plot.Line_1_terminator_val_y_1 -2.66 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 1.09 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.08 _LACS_plot.Line_2_terminator_val_x_2 6.44 _LACS_plot.Line_2_terminator_val_y_2 5.01 _LACS_plot.Y_axis_chem_shift_offset -0.32 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 123 ASP 0.87 -1.93 0 109 LEU -7.02 -1.57 0 102 ASP 0.63 -2.33 0 58 SER -1.20 3.28 0 11 SER -0.65 -0.11 1 12 VAL 0.92 0.64 1 13 ALA 0.06 0.32 1 14 ASP 0.15 0.35 1 15 ILE 0.66 0.40 1 16 GLN 0.84 0.75 1 17 GLN 0.76 0.51 1 18 LEU 0.87 0.95 1 19 GLU 0.37 0.64 1 20 GLU 0.13 0.48 1 21 LYS -0.30 -0.07 1 22 VAL -0.97 -0.54 1 23 ASP -0.48 -0.04 1 24 GLU -0.03 0.09 1 25 SER 0.53 0.91 1 26 ASP 4.42 3.20 1 27 VAL 5.10 4.66 1 28 ARG 3.15 2.50 1 29 ILE 5.23 4.26 1 30 TYR 3.55 -0.11 1 31 PHE 5.65 5.06 1 32 ASN 4.11 2.64 1 33 GLU 1.47 2.30 1 34 LYS -3.85 -2.20 1 35 SER -0.89 -0.27 1 36 SER -0.66 -0.67 1 39 LYS -6.29 -1.72 1 40 ILE -6.44 -2.91 1 41 SER -1.68 -0.59 1 42 ILE 6.03 3.48 1 43 ASP 3.94 3.51 1 44 ASN 3.39 2.24 1 45 ALA 4.48 4.03 1 46 SER 5.57 4.93 1 47 TYR 4.89 4.23 1 48 ASN 4.03 2.40 1 49 ALA 4.79 3.40 1 50 ARG 3.39 2.90 1 51 LYS 4.44 3.33 1 52 LEU 0.63 0.56 1 54 LEU -2.21 -1.65 1 55 ALA -2.10 -1.86 1 57 SER -7.12 -2.32 1 59 ILE 3.98 2.69 1 60 ASP 3.63 3.59 1 61 GLU 3.05 2.93 1 62 LYS 4.04 3.48 1 63 LYS 4.12 3.25 1 64 ILE -1.55 -0.63 1 65 LYS 2.62 2.30 1 66 GLU 2.81 2.37 1 67 LEU 1.82 2.22 1 68 TYR -2.14 0.36 1 70 ASP 0.31 1.46 1 71 ASN -4.42 -0.99 1 72 LEU -2.92 -1.26 1 73 THR -1.71 -0.46 1 74 TYR 6.15 4.94 1 75 GLU 5.57 4.42 1 76 GLN 3.53 2.17 1 77 TYR 3.63 2.10 1 78 LEU 4.11 2.69 1 79 GLU 3.67 3.00 1 80 TYR 3.23 1.86 1 81 LEU 5.22 3.09 1 82 SER 3.77 3.28 1 83 ILE 3.82 3.24 1 85 VAL 4.08 3.09 1 86 HIS 1.86 0.98 1 87 ASP 2.21 1.62 1 88 LYS 0.88 -0.70 1 89 ASP 2.13 1.46 1 90 ASN -2.52 -1.07 1 91 VAL 6.44 5.53 1 92 GLU 4.23 3.32 1 93 GLU 0.84 1.43 1 94 LEU 5.45 4.35 1 95 ILE 2.40 3.32 1 96 LYS 5.14 4.90 1 97 MET 4.88 2.86 1 98 PHE 4.15 2.77 1 99 ALA 3.21 2.21 1 100 HIS 3.59 4.37 1 101 PHE 1.55 1.83 1 103 ASN 4.19 3.27 1 104 ASN 0.71 0.11 1 106 THR 0.66 1.67 1 108 TYR -5.53 -1.69 1 110 THR -1.63 -0.46 1 111 LYS 5.70 5.38 1 112 SER 5.42 3.99 1 113 GLN 3.29 3.75 1 114 MET 4.72 4.20 1 115 LYS 6.02 4.67 1 116 ASN 4.58 4.06 1 117 ILE 4.06 4.90 1 118 LEU 1.26 2.53 1 119 THR -1.55 0.09 1 120 THR 3.26 3.09 1 121 TRP -3.52 -0.26 1 124 ALA 0.92 1.34 1 125 LEU -1.74 -1.18 1 126 THR -1.20 -0.30 1 127 ASP 5.05 4.70 1 128 GLN 3.69 3.12 1 129 GLU 0.76 2.61 1 130 ALA 2.50 3.08 1 131 ILE 3.66 3.24 1 132 ASP 4.89 3.35 1 133 ALA 3.45 2.92 1 134 LEU 3.87 2.85 1 135 ASN 3.01 1.38 1 136 ALA 2.74 1.74 1 137 PHE 1.23 2.30 1 138 SER -2.86 -1.06 1 139 SER 1.00 0.75 1 140 GLU -2.00 -0.86 1 141 ASP 0.47 2.09 1 142 ASN -1.18 -0.83 1 143 ILE -2.18 -2.60 1 144 ASP -0.87 -1.70 1 145 TYR 3.31 1.39 1 146 LYS 6.25 4.67 1 147 LEU 3.47 2.45 1 148 PHE 4.15 3.64 1 150 GLU 3.36 3.32 1 151 ASP 1.58 3.75 1 152 ILE 4.77 2.77 1 153 LEU 0.09 0.72 1 154 GLN 1.71 2.09 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18377_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.12 _LACS_plot.Line_1_terminator_val_y_1 4.46 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -0.90 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.92 _LACS_plot.Line_2_terminator_val_x_2 6.44 _LACS_plot.Line_2_terminator_val_y_2 -1.43 _LACS_plot.Y_axis_chem_shift_offset -0.32 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 123 ASP 0.87 -2.80 0 109 LEU -7.02 5.45 0 102 ASP 0.63 -2.96 0 58 SER -1.20 4.48 0 11 SER -0.65 0.54 1 12 VAL 0.92 -0.28 1 13 ALA 0.06 0.26 1 14 ASP 0.15 0.20 1 15 ILE 0.66 -0.26 1 16 GLN 0.84 -0.09 1 17 GLN 0.76 -0.25 1 18 LEU 0.87 0.08 1 19 GLU 0.37 0.27 1 20 GLU 0.13 0.35 1 21 LYS -0.30 0.23 1 22 VAL -0.97 0.43 1 23 ASP -0.48 0.44 1 24 GLU -0.03 0.12 1 25 SER 0.53 0.38 1 26 ASP 4.42 -1.22 1 27 VAL 5.10 -0.44 1 28 ARG 3.15 -0.65 1 29 ILE 5.23 -0.97 1 30 TYR 3.55 -3.66 1 31 PHE 5.65 -0.59 1 32 ASN 4.11 -1.47 1 33 GLU 1.47 0.83 1 34 LYS -3.85 1.65 1 35 SER -0.89 0.62 1 36 SER -0.66 -0.01 1 39 LYS -6.29 4.57 1 40 ILE -6.44 3.53 1 41 SER -1.68 1.09 1 42 ILE 6.03 -2.55 1 43 ASP 3.94 -0.43 1 44 ASN 3.39 -1.15 1 45 ALA 4.48 -0.45 1 46 SER 5.57 -0.64 1 47 TYR 4.89 -0.66 1 48 ASN 4.03 -1.63 1 49 ALA 4.79 -1.39 1 50 ARG 3.39 -0.49 1 51 LYS 4.44 -1.11 1 52 LEU 0.63 -0.07 1 54 LEU -2.21 0.56 1 55 ALA -2.10 0.24 1 57 SER -7.12 4.80 1 59 ILE 3.98 -1.29 1 60 ASP 3.63 -0.04 1 61 GLU 3.05 -0.12 1 62 LYS 4.04 -0.56 1 63 LYS 4.12 -0.87 1 64 ILE -1.55 0.92 1 65 LYS 2.62 -0.32 1 66 GLU 2.81 -0.44 1 67 LEU 1.82 0.40 1 68 TYR -2.14 2.50 1 70 ASP 0.31 1.15 1 71 ASN -4.42 3.43 1 72 LEU -2.92 1.66 1 73 THR -1.71 1.25 1 74 TYR 6.15 -1.21 1 75 GLU 5.57 -1.15 1 76 GLN 3.53 -1.36 1 77 TYR 3.63 -1.53 1 78 LEU 4.11 -1.42 1 79 GLU 3.67 -0.67 1 80 TYR 3.23 -1.37 1 81 LEU 5.22 -2.13 1 82 SER 3.77 -0.49 1 83 ILE 3.82 -0.58 1 85 VAL 4.08 -0.99 1 86 HIS 1.86 -0.88 1 87 ASP 2.21 -0.59 1 88 LYS 0.88 -1.58 1 89 ASP 2.13 -0.67 1 90 ASN -2.52 1.45 1 91 VAL 6.44 -0.91 1 92 GLU 4.23 -0.91 1 93 GLU 0.84 0.59 1 94 LEU 5.45 -1.10 1 95 ILE 2.40 0.92 1 96 LYS 5.14 -0.24 1 97 MET 4.88 -2.02 1 98 PHE 4.15 -1.38 1 99 ALA 3.21 -1.00 1 100 HIS 3.59 0.78 1 101 PHE 1.55 0.28 1 103 ASN 4.19 -0.92 1 104 ASN 0.71 -0.60 1 106 THR 0.66 1.01 1 108 TYR -5.53 3.84 1 110 THR -1.63 1.17 1 111 LYS 5.70 -0.32 1 112 SER 5.42 -1.43 1 113 GLN 3.29 0.46 1 114 MET 4.72 -0.52 1 115 LYS 6.02 -1.35 1 116 ASN 4.58 -0.52 1 117 ILE 4.06 0.84 1 118 LEU 1.26 1.27 1 119 THR -1.55 1.64 1 120 THR 3.26 -0.17 1 121 TRP -3.52 3.26 1 124 ALA 0.92 0.42 1 125 LEU -1.74 0.56 1 126 THR -1.20 0.90 1 127 ASP 5.05 -0.35 1 128 GLN 3.69 -0.57 1 129 GLU 0.76 1.85 1 130 ALA 2.50 0.58 1 131 ILE 3.66 -0.42 1 132 ASP 4.89 -1.54 1 133 ALA 3.45 -0.53 1 134 LEU 3.87 -1.02 1 135 ASN 3.01 -1.63 1 136 ALA 2.74 -1.00 1 137 PHE 1.23 1.07 1 138 SER -2.86 1.80 1 139 SER 1.00 -0.25 1 140 GLU -2.00 1.14 1 141 ASP 0.47 1.62 1 142 ASN -1.18 0.35 1 143 ILE -2.18 -0.42 1 144 ASP -0.87 -0.83 1 145 TYR 3.31 -1.92 1 146 LYS 6.25 -1.58 1 147 LEU 3.47 -1.02 1 148 PHE 4.15 -0.51 1 150 GLU 3.36 -0.04 1 151 ASP 1.58 2.17 1 152 ILE 4.77 -2.00 1 153 LEU 0.09 0.63 1 154 GLN 1.71 0.38 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18377_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.12 _LACS_plot.Line_1_terminator_val_y_1 -2.39 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 0.76 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.55 _LACS_plot.Line_2_terminator_val_x_2 6.44 _LACS_plot.Line_2_terminator_val_y_2 2.12 _LACS_plot.Y_axis_chem_shift_offset -0.08 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 154 GLN 1.71 5.09 0 57 SER -7.12 0.99 0 11 SER -0.65 0.01 1 12 VAL 0.92 -0.53 1 13 ALA 0.06 -0.50 1 14 ASP 0.15 0.08 1 15 ILE 0.66 -0.41 1 16 GLN 0.84 0.37 1 17 GLN 0.76 0.16 1 18 LEU 0.87 -0.26 1 19 GLU 0.37 -0.24 1 20 GLU 0.13 -1.50 1 21 LYS -0.30 -0.38 1 22 VAL -0.97 -1.24 1 23 ASP -0.48 -0.35 1 24 GLU -0.03 -0.44 1 25 SER 0.53 0.60 1 26 ASP 4.42 0.20 1 27 VAL 5.10 2.43 1 28 ARG 3.15 1.35 1 29 ILE 5.23 3.12 1 30 TYR 3.55 4.56 1 31 PHE 5.65 0.87 1 32 ASN 4.11 2.47 1 33 GLU 1.47 1.13 1 34 LYS -3.85 -0.69 1 35 SER -0.89 -1.01 1 36 SER -0.66 1.64 1 39 LYS -6.29 -2.48 1 40 ILE -6.44 -3.55 1 41 SER -1.68 1.17 1 42 ILE 6.03 0.63 1 43 ASP 3.94 3.43 1 44 ASN 3.39 1.59 1 45 ALA 4.48 1.93 1 46 SER 5.57 0.86 1 47 TYR 4.89 0.73 1 48 ASN 4.03 1.69 1 49 ALA 4.79 1.07 1 50 ARG 3.39 4.49 1 51 LYS 4.44 1.94 1 52 LEU 0.63 -1.10 1 54 LEU -2.21 -3.67 1 59 ILE 3.98 2.04 1 60 ASP 3.63 1.18 1 61 GLU 3.05 1.78 1 62 LYS 4.04 2.07 1 63 LYS 4.12 2.43 1 64 ILE -1.55 0.10 1 65 LYS 2.62 3.78 1 66 GLU 2.81 1.47 1 67 LEU 1.82 1.23 1 68 TYR -2.14 -0.23 1 70 ASP 0.31 -0.37 1 71 ASN -4.42 -1.90 1 72 LEU -2.92 0.52 1 73 THR -1.71 -0.13 1 74 TYR 6.15 0.91 1 75 GLU 5.57 3.05 1 76 GLN 3.53 1.52 1 77 TYR 3.63 0.24 1 78 LEU 4.11 2.94 1 79 GLU 3.67 2.96 1 80 TYR 3.23 1.28 1 81 LEU 5.22 1.37 1 83 ILE 3.82 0.25 1 85 VAL 4.08 -0.88 1 86 HIS 1.86 1.14 1 87 ASP 2.21 0.57 1 88 LYS 0.88 0.23 1 89 ASP 2.13 -1.51 1 90 ASN -2.52 -0.37 1 91 VAL 6.44 -0.80 1 92 GLU 4.23 1.68 1 93 GLU 0.84 1.98 1 94 LEU 5.45 0.33 1 95 ILE 2.40 1.51 1 96 LYS 5.14 2.25 1 97 MET 4.88 0.88 1 98 PHE 4.15 1.34 1 99 ALA 3.21 2.29 1 100 HIS 3.59 1.79 1 101 PHE 1.55 -1.01 1 102 ASP 0.63 -0.08 1 103 ASN 4.19 0.71 1 104 ASN 0.71 -1.41 1 106 THR 0.66 2.31 1 108 TYR -5.53 -1.13 1 109 LEU -7.02 -1.32 1 110 THR -1.63 2.11 1 111 LYS 5.70 1.90 1 112 SER 5.42 2.39 1 113 GLN 3.29 3.09 1 114 MET 4.72 1.35 1 115 LYS 6.02 1.84 1 116 ASN 4.58 2.10 1 117 ILE 4.06 0.19 1 118 LEU 1.26 0.82 1 119 THR -1.55 0.31 1 120 THR 3.26 -1.46 1 121 TRP -3.52 -2.86 1 123 ASP 0.87 -0.07 1 124 ALA 0.92 0.82 1 126 THR -1.20 0.83 1 127 ASP 5.05 1.22 1 128 GLN 3.69 1.46 1 129 GLU 0.76 3.09 1 130 ALA 2.50 0.50 1 131 ILE 3.66 1.49 1 132 ASP 4.89 3.49 1 134 LEU 3.87 0.94 1 135 ASN 3.01 2.14 1 136 ALA 2.74 0.66 1 137 PHE 1.23 -0.54 1 138 SER -2.86 -0.73 1 139 SER 1.00 -0.06 1 140 GLU -2.00 -1.34 1 141 ASP 0.47 -0.82 1 142 ASN -1.18 -1.43 1 143 ILE -2.18 -2.08 1 144 ASP -0.87 -0.61 1 145 TYR 3.31 1.05 1 146 LYS 6.25 1.45 1 147 LEU 3.47 2.39 1 148 PHE 4.15 0.48 1 150 GLU 3.36 1.90 1 151 ASP 1.58 2.92 1 152 ILE 4.77 -0.71 1 153 LEU 0.09 -0.63 1 stop_ save_