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 bmr17714_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -5.88 _LACS_plot.Line_1_terminator_val_y_1 -2.84 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.02 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.64 _LACS_plot.Line_2_terminator_val_x_2 8.84 _LACS_plot.Line_2_terminator_val_y_2 7.28 _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 73 TYR 0.00 -3.16 0 11 THR 0.56 0.28 1 12 HIS 0.22 0.33 1 13 SER 0.30 0.22 1 14 GLN 0.63 0.42 1 15 TRP -0.21 -0.35 1 16 ASN -0.24 -0.33 1 17 LYS 0.06 0.02 1 19 SER -0.37 -0.20 1 20 LYS -0.31 0.03 1 22 LYS 0.16 0.08 1 23 THR -0.13 -0.16 1 24 ASN 0.18 0.05 1 25 MET 0.25 0.16 1 26 LYS 0.37 0.27 1 27 HIS -0.15 0.37 1 28 MET -0.34 -0.24 1 29 ALA -0.01 0.18 1 31 ALA -0.16 0.10 1 32 ALA -0.13 0.03 1 33 ALA -0.12 0.06 1 34 ALA 0.00 0.13 1 36 ALA -0.51 -0.23 1 37 VAL 0.11 0.01 1 38 VAL 0.40 0.25 1 41 LEU -0.41 -0.22 1 44 TYR -1.27 0.36 1 45 MET -3.59 -1.74 1 46 LEU -2.95 -1.72 1 48 SER -0.07 0.15 1 49 ALA 1.04 0.52 1 50 MET -5.59 -1.46 1 51 SER 1.02 0.28 1 52 ARG 1.85 0.83 1 54 ILE 2.11 -0.31 1 55 ILE -2.96 -2.29 1 56 HIS -1.33 -0.84 1 57 PHE -0.74 1.61 1 59 SER -3.88 -1.65 1 60 ASP 3.54 3.42 1 61 TYR 4.15 3.53 1 62 GLU 3.00 3.35 1 64 ARG 4.63 3.65 1 65 TYR 4.61 4.35 1 66 TYR 5.69 5.13 1 67 ARG 4.85 3.93 1 68 GLU 1.42 1.50 1 69 ASN -0.51 1.80 1 70 MET 6.37 3.84 1 71 HIS 2.78 2.80 1 72 ARG 0.49 0.26 1 75 ASN -0.55 -1.24 1 76 GLN -5.88 -1.39 1 77 VAL -4.54 -3.40 1 78 TYR -4.02 -0.84 1 79 TYR -3.51 -1.99 1 82 MET 2.62 2.10 1 84 GLU -3.54 -0.51 1 86 SER 0.00 0.10 1 89 ASN 4.27 3.41 1 90 ASN 3.78 2.85 1 92 VAL 6.32 5.60 1 93 HIS 5.18 4.53 1 94 ASP 3.20 3.47 1 96 VAL 4.94 4.18 1 97 ASN 3.52 3.42 1 98 ILE 3.12 1.19 1 99 THR 8.85 7.16 1 100 ILE 6.41 5.32 1 101 LYS 4.60 3.74 1 103 HIS 2.06 4.00 1 104 THR 4.31 3.62 1 105 VAL 3.67 2.99 1 106 THR 3.01 2.54 1 107 THR 2.95 2.40 1 108 THR 3.13 2.56 1 109 THR 2.76 2.19 1 110 LYS 0.59 0.19 1 112 GLU -1.89 -0.78 1 113 ASN -1.79 -0.31 1 114 PHE -1.47 -0.94 1 115 THR -3.69 -1.33 1 116 GLU 4.34 3.34 1 117 THR 6.10 5.01 1 118 ASP 3.26 3.81 1 119 VAL 6.85 5.59 1 120 LYS 4.05 3.08 1 121 MET 4.75 4.62 1 122 MET 4.07 4.59 1 123 GLU 5.06 4.19 1 124 ARG 3.35 2.46 1 125 VAL 4.48 3.87 1 126 ILE 5.45 3.75 1 127 GLU 5.21 4.59 1 128 GLN 4.34 3.18 1 129 MET 4.97 4.57 1 131 ILE 6.36 5.70 1 132 THR 6.92 5.38 1 133 GLN 4.17 3.03 1 134 TYR 5.95 4.24 1 135 GLU 4.43 3.20 1 136 ARG 3.48 3.24 1 137 GLU 2.11 1.30 1 138 SER 4.37 3.08 1 139 GLN 3.72 2.60 1 140 ALA 2.19 1.59 1 142 TYR 2.16 1.45 1 143 GLN 1.35 0.78 1 144 ARG 1.07 0.87 1 146 SER -0.28 -0.03 1 147 SER 0.75 1.79 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17714_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -5.88 _LACS_plot.Line_1_terminator_val_y_1 3.04 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.98 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.36 _LACS_plot.Line_2_terminator_val_x_2 8.84 _LACS_plot.Line_2_terminator_val_y_2 -1.56 _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 73 TYR 0.00 -3.16 0 11 THR 0.56 -0.28 1 12 HIS 0.22 0.11 1 13 SER 0.30 -0.08 1 14 GLN 0.63 -0.21 1 15 TRP -0.21 -0.14 1 16 ASN -0.24 -0.09 1 17 LYS 0.06 -0.04 1 19 SER -0.37 0.17 1 20 LYS -0.31 0.34 1 22 LYS 0.16 -0.08 1 23 THR -0.13 -0.03 1 24 ASN 0.18 -0.13 1 25 MET 0.25 -0.09 1 26 LYS 0.37 -0.10 1 27 HIS -0.15 0.52 1 28 MET -0.34 0.10 1 29 ALA -0.01 0.19 1 31 ALA -0.16 0.26 1 32 ALA -0.13 0.16 1 33 ALA -0.12 0.18 1 34 ALA 0.00 0.13 1 36 ALA -0.51 0.28 1 37 VAL 0.11 -0.10 1 38 VAL 0.40 -0.15 1 41 LEU -0.41 0.19 1 44 TYR -1.27 1.63 1 45 MET -3.59 1.85 1 46 LEU -2.95 1.23 1 48 SER -0.07 0.22 1 49 ALA 1.04 -0.52 1 50 MET -5.59 4.13 1 51 SER 1.02 -0.74 1 52 ARG 1.85 -1.02 1 54 ILE 2.11 -2.42 1 55 ILE -2.96 0.67 1 56 HIS -1.33 0.49 1 57 PHE -0.74 2.35 1 59 SER -3.88 2.23 1 60 ASP 3.54 -0.12 1 61 TYR 4.15 -0.62 1 62 GLU 3.00 0.35 1 64 ARG 4.63 -0.98 1 65 TYR 4.61 -0.26 1 66 TYR 5.69 -0.56 1 67 ARG 4.85 -0.92 1 68 GLU 1.42 0.08 1 69 ASN -0.51 2.31 1 70 MET 6.37 -2.53 1 71 HIS 2.78 0.02 1 72 ARG 0.49 -0.23 1 75 ASN -0.55 -0.69 1 76 GLN -5.88 4.49 1 77 VAL -4.54 1.14 1 78 TYR -4.02 3.18 1 79 TYR -3.51 1.52 1 82 MET 2.62 -0.52 1 84 GLU -3.54 3.03 1 86 SER 0.00 0.10 1 89 ASN 4.27 -0.86 1 90 ASN 3.78 -0.93 1 92 VAL 6.32 -0.72 1 93 HIS 5.18 -0.65 1 94 ASP 3.20 0.27 1 96 VAL 4.94 -0.76 1 97 ASN 3.52 -0.10 1 98 ILE 3.12 -1.93 1 99 THR 8.85 -1.69 1 100 ILE 6.41 -1.09 1 101 LYS 4.60 -0.86 1 103 HIS 2.06 1.94 1 104 THR 4.31 -0.69 1 105 VAL 3.67 -0.68 1 106 THR 3.01 -0.47 1 107 THR 2.95 -0.55 1 108 THR 3.13 -0.57 1 109 THR 2.76 -0.57 1 110 LYS 0.59 -0.40 1 112 GLU -1.89 1.11 1 113 ASN -1.79 1.48 1 114 PHE -1.47 0.53 1 115 THR -3.69 2.36 1 116 GLU 4.34 -1.00 1 117 THR 6.10 -1.09 1 118 ASP 3.26 0.55 1 119 VAL 6.85 -1.26 1 120 LYS 4.05 -0.97 1 121 MET 4.75 -0.13 1 122 MET 4.07 0.52 1 123 GLU 5.06 -0.87 1 124 ARG 3.35 -0.89 1 125 VAL 4.48 -0.61 1 126 ILE 5.45 -1.70 1 127 GLU 5.21 -0.62 1 128 GLN 4.34 -1.16 1 129 MET 4.97 -0.40 1 131 ILE 6.36 -0.66 1 132 THR 6.92 -1.54 1 133 GLN 4.17 -1.14 1 134 TYR 5.95 -1.71 1 135 GLU 4.43 -1.23 1 136 ARG 3.48 -0.24 1 137 GLU 2.11 -0.81 1 138 SER 4.37 -1.29 1 139 GLN 3.72 -1.12 1 140 ALA 2.19 -0.60 1 142 TYR 2.16 -0.71 1 143 GLN 1.35 -0.57 1 144 ARG 1.07 -0.20 1 146 SER -0.28 0.25 1 147 SER 0.75 1.04 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17714_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -5.88 _LACS_plot.Line_1_terminator_val_y_1 0.32 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.19 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.07 _LACS_plot.Line_2_terminator_val_x_2 8.84 _LACS_plot.Line_2_terminator_val_y_2 -0.66 _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 134 TYR 5.95 -1.59 0 11 THR 0.56 -0.08 1 12 HIS 0.22 -0.02 1 13 SER 0.30 -0.09 1 14 GLN 0.63 -0.06 1 15 TRP -0.21 0.01 1 16 ASN -0.24 -0.14 1 17 LYS 0.06 -0.16 1 19 SER -0.37 -0.04 1 20 LYS -0.31 0.01 1 22 LYS 0.16 0.02 1 23 THR -0.13 -0.03 1 24 ASN 0.18 -0.03 1 25 MET 0.25 -0.05 1 26 LYS 0.37 -0.09 1 27 HIS -0.15 -0.07 1 28 MET -0.34 -0.02 1 29 ALA -0.01 -0.03 1 31 ALA -0.16 -0.03 1 32 ALA -0.13 -0.03 1 33 ALA -0.12 -0.03 1 34 ALA 0.00 -0.02 1 36 ALA -0.51 0.05 1 37 VAL 0.11 0.02 1 38 VAL 0.40 -0.03 1 41 LEU -0.41 0.04 1 44 TYR -1.27 -0.06 1 45 MET -3.59 0.07 1 46 LEU -2.95 0.12 1 48 SER -0.07 -0.06 1 49 ALA 1.04 0.11 1 50 MET -5.59 0.26 1 51 SER 1.02 -0.14 1 52 ARG 1.85 -0.28 1 54 ILE 2.11 -0.02 1 55 ILE -2.96 -0.25 1 56 HIS -1.33 0.19 1 57 PHE -0.74 -0.26 1 59 SER -3.88 0.34 1 60 ASP 3.54 -0.14 1 61 TYR 4.15 -0.36 1 62 GLU 3.00 -0.79 1 64 ARG 4.63 -0.34 1 65 TYR 4.61 -0.73 1 66 TYR 5.69 -0.43 1 67 ARG 4.85 -0.42 1 68 GLU 1.42 -0.29 1 69 ASN -0.51 -0.37 1 70 MET 6.37 -1.05 1 71 HIS 2.78 -0.53 1 72 ARG 0.49 -0.25 1 73 TYR 0.00 0.18 1 75 ASN -0.55 -0.02 1 76 GLN -5.88 0.19 1 77 VAL -4.54 0.77 1 78 TYR -4.02 0.99 1 79 TYR -3.51 0.19 1 82 MET 2.62 -0.03 1 84 GLU -3.54 -0.01 1 86 SER 0.00 -0.11 1 89 ASN 4.27 -0.51 1 90 ASN 3.78 -0.19 1 92 VAL 6.32 -0.59 1 93 HIS 5.18 -0.41 1 94 ASP 3.20 -0.12 1 96 VAL 4.94 -0.44 1 97 ASN 3.52 -0.43 1 98 ILE 3.12 -0.40 1 99 THR 8.85 -0.29 1 100 ILE 6.41 -0.50 1 101 LYS 4.60 -0.28 1 103 HIS 2.06 -0.12 1 104 THR 4.31 -0.36 1 105 VAL 3.67 -0.13 1 106 THR 3.01 -0.14 1 107 THR 2.95 -0.16 1 108 THR 3.13 0.03 1 109 THR 2.76 -0.12 1 110 LYS 0.59 0.02 1 112 GLU -1.89 -0.11 1 113 ASN -1.79 -0.08 1 114 PHE -1.47 0.66 1 115 THR -3.69 0.28 1 116 GLU 4.34 -0.28 1 117 THR 6.10 -0.56 1 118 ASP 3.26 -0.06 1 119 VAL 6.85 -0.81 1 120 LYS 4.05 -0.24 1 121 MET 4.75 -0.31 1 122 MET 4.07 -0.92 1 123 GLU 5.06 -0.69 1 124 ARG 3.35 -0.12 1 125 VAL 4.48 -0.35 1 126 ILE 5.45 -0.48 1 127 GLU 5.21 -0.76 1 128 GLN 4.34 -0.65 1 129 MET 4.97 -0.31 1 131 ILE 6.36 -0.59 1 132 THR 6.92 -0.39 1 133 GLN 4.17 -0.70 1 135 GLU 4.43 -0.64 1 136 ARG 3.48 -0.36 1 137 GLU 2.11 -0.33 1 138 SER 4.37 -0.57 1 139 GLN 3.72 -0.22 1 140 ALA 2.19 -0.15 1 142 TYR 2.16 -0.19 1 143 GLN 1.35 -0.11 1 144 ARG 1.07 -0.13 1 146 SER -0.28 0.02 1 147 SER 0.75 -0.17 1 stop_ save_