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 bmr5222_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -9.80 _LACS_plot.Line_1_terminator_val_y_1 -6.09 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.79 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -3.96 _LACS_plot.Line_2_terminator_val_x_2 8.80 _LACS_plot.Line_2_terminator_val_y_2 4.18 _LACS_plot.Y_axis_chem_shift_offset 2.49 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 141 TRP 6.20 -2.30 0 10 ILE 1.60 -2.70 1 12 LYS -5.30 -3.80 1 13 LEU -6.20 -5.30 1 14 ARG -1.40 -2.90 1 15 ARG -1.60 -1.50 1 17 ASP 0.40 -2.40 1 19 GLU -6.30 -3.90 1 20 VAL -5.00 -4.50 1 21 GLU 0.10 -2.20 1 22 VAL 6.20 2.30 1 23 LYS 4.00 0.20 1 24 SER 2.90 0.30 1 25 LEU 1.90 -2.70 1 26 ALA 1.90 -1.20 1 28 LYS -1.30 -2.40 1 29 LEU -0.60 -2.40 1 30 VAL -1.70 -3.40 1 31 PHE -2.70 -4.00 1 32 PHE -1.40 -3.20 1 33 TYR -5.50 -7.00 1 34 PHE -1.00 -3.60 1 35 SER -2.20 -4.80 1 36 ALA -3.90 -3.10 1 37 SER 3.70 0.60 1 38 TRP -3.50 -5.80 1 43 ARG 4.80 1.00 1 45 PHE 2.10 1.90 1 48 GLN 4.70 0.70 1 49 LEU 3.80 -0.20 1 50 ILE 7.90 4.10 1 51 GLU 3.90 1.10 1 52 PHE 3.00 2.30 1 53 TYR 3.00 2.30 1 54 ASP 4.50 1.20 1 55 LYS 3.80 1.10 1 56 PHE -1.70 -2.10 1 57 HIS 8.80 2.20 1 58 GLU 2.30 -0.80 1 59 SER 4.30 0.60 1 60 LYS 2.10 -2.00 1 61 ASN 2.00 -1.50 1 62 PHE -6.70 -4.90 1 63 GLU -9.80 -6.00 1 64 VAL -2.60 -3.50 1 65 VAL -2.40 -3.80 1 66 PHE -1.30 -3.90 1 68 THR 0.70 -1.90 1 69 TRP -1.20 -3.70 1 70 ASP 3.20 1.80 1 71 GLU -0.60 -2.10 1 72 GLU -3.40 -4.30 1 73 GLU 4.50 1.10 1 74 ASP 4.60 1.00 1 76 PHE 4.00 1.60 1 77 ALA 4.00 0.90 1 79 TYR -1.60 -2.90 1 80 PHE 2.40 -1.30 1 81 ALA 2.80 -0.70 1 82 LYS 0.00 -3.60 1 83 MET 0.30 -3.10 1 85 TRP 0.60 -4.40 1 86 LEU -3.70 -3.30 1 87 ALA -2.90 -2.90 1 88 VAL 2.10 -0.60 1 90 PHE 5.60 2.40 1 91 ALA 2.20 -0.90 1 92 GLN 2.00 -3.40 1 93 SER 5.50 1.80 1 94 GLU 4.80 1.10 1 95 ALA 3.50 0.20 1 96 VAL 7.30 2.70 1 97 GLN 5.80 1.50 1 98 LYS 4.90 1.60 1 99 LEU 2.00 0.40 1 100 SER 4.60 1.70 1 101 LYS 3.90 0.30 1 102 HIS 4.20 3.10 1 103 PHE -0.20 -2.30 1 104 ASN 3.30 -1.10 1 105 VAL 4.20 -0.50 1 106 GLU -1.60 -2.50 1 107 SER -3.30 -4.20 1 108 ILE -2.10 -2.70 1 110 THR -1.50 -0.30 1 111 LEU -5.90 -3.30 1 112 ILE -4.40 -4.00 1 114 VAL -5.30 -5.90 1 115 ASP -1.80 -2.30 1 116 ALA 3.30 1.60 1 117 ASP 4.80 0.90 1 118 SER -0.10 -1.10 1 120 ASP 2.20 -1.10 1 121 VAL 3.40 -0.20 1 122 VAL 1.50 0.00 1 123 THR -2.30 -5.20 1 124 THR -0.30 -2.60 1 125 ARG -0.40 -3.10 1 126 ALA 1.50 -1.00 1 127 ARG 4.60 0.50 1 128 ALA 1.10 -1.40 1 129 THR 4.40 0.20 1 130 LEU 4.70 1.20 1 131 VAL 4.30 0.10 1 132 LYS -0.30 -2.80 1 133 ASP -1.00 -2.40 1 135 GLU -0.10 -4.00 1 137 GLU 3.30 0.70 1 138 GLN -0.80 -4.00 1 139 PHE 0.10 -1.80 1 142 LYS 1.50 -1.00 1 143 ASP 1.70 -1.30 1 144 ALA -0.30 -2.50 1 146 LEU 0.50 -2.00 1 147 GLU 0.10 -1.00 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5222_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -9.80 _LACS_plot.Line_1_terminator_val_y_1 3.71 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -3.79 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.96 _LACS_plot.Line_2_terminator_val_x_2 8.80 _LACS_plot.Line_2_terminator_val_y_2 -4.62 _LACS_plot.Y_axis_chem_shift_offset 2.49 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 141 TRP 6.20 -8.50 0 10 ILE 1.60 -4.30 1 12 LYS -5.30 1.50 1 13 LEU -6.20 0.90 1 14 ARG -1.40 -1.50 1 15 ARG -1.60 0.10 1 17 ASP 0.40 -2.80 1 19 GLU -6.30 2.40 1 20 VAL -5.00 0.50 1 21 GLU 0.10 -2.30 1 22 VAL 6.20 -3.90 1 23 LYS 4.00 -3.80 1 24 SER 2.90 -2.60 1 25 LEU 1.90 -4.60 1 26 ALA 1.90 -3.10 1 28 LYS -1.30 -1.10 1 29 LEU -0.60 -1.80 1 30 VAL -1.70 -1.70 1 31 PHE -2.70 -1.30 1 32 PHE -1.40 -1.80 1 33 TYR -5.50 -1.50 1 34 PHE -1.00 -2.60 1 35 SER -2.20 -2.60 1 36 ALA -3.90 0.80 1 37 SER 3.70 -3.10 1 38 TRP -3.50 -2.30 1 43 ARG 4.80 -3.80 1 45 PHE 2.10 -0.20 1 48 GLN 4.70 -4.00 1 49 LEU 3.80 -4.00 1 50 ILE 7.90 -3.80 1 51 GLU 3.90 -2.80 1 52 PHE 3.00 -0.70 1 53 TYR 3.00 -0.70 1 54 ASP 4.50 -3.30 1 55 LYS 3.80 -2.70 1 56 PHE -1.70 -0.40 1 57 HIS 8.80 -6.60 1 58 GLU 2.30 -3.10 1 59 SER 4.30 -3.70 1 60 LYS 2.10 -4.10 1 61 ASN 2.00 -3.50 1 62 PHE -6.70 1.80 1 63 GLU -9.80 3.80 1 64 VAL -2.60 -0.90 1 65 VAL -2.40 -1.40 1 66 PHE -1.30 -2.60 1 68 THR 0.70 -2.60 1 69 TRP -1.20 -2.50 1 70 ASP 3.20 -1.40 1 71 GLU -0.60 -1.50 1 72 GLU -3.40 -0.90 1 73 GLU 4.50 -3.40 1 74 ASP 4.60 -3.60 1 76 PHE 4.00 -2.40 1 77 ALA 4.00 -3.10 1 79 TYR -1.60 -1.30 1 80 PHE 2.40 -3.70 1 81 ALA 2.80 -3.50 1 82 LYS 0.00 -3.60 1 83 MET 0.30 -3.40 1 85 TRP 0.60 -5.00 1 86 LEU -3.70 0.40 1 87 ALA -2.90 0.00 1 88 VAL 2.10 -2.70 1 90 PHE 5.60 -3.20 1 91 ALA 2.20 -3.10 1 92 GLN 2.00 -5.40 1 93 SER 5.50 -3.70 1 94 GLU 4.80 -3.70 1 95 ALA 3.50 -3.30 1 96 VAL 7.30 -4.60 1 97 GLN 5.80 -4.30 1 98 LYS 4.90 -3.30 1 99 LEU 2.00 -1.60 1 100 SER 4.60 -2.90 1 101 LYS 3.90 -3.60 1 102 HIS 4.20 -1.10 1 103 PHE -0.20 -2.10 1 104 ASN 3.30 -4.40 1 105 VAL 4.20 -4.70 1 106 GLU -1.60 -0.90 1 107 SER -3.30 -0.90 1 108 ILE -2.10 -0.60 1 110 THR -1.50 1.20 1 111 LEU -5.90 2.60 1 112 ILE -4.40 0.40 1 114 VAL -5.30 -0.60 1 115 ASP -1.80 -0.50 1 116 ALA 3.30 -1.70 1 117 ASP 4.80 -3.90 1 118 SER -0.10 -1.00 1 120 ASP 2.20 -3.30 1 121 VAL 3.40 -3.60 1 122 VAL 1.50 -1.50 1 123 THR -2.30 -2.90 1 124 THR -0.30 -2.30 1 125 ARG -0.40 -2.70 1 126 ALA 1.50 -2.50 1 127 ARG 4.60 -4.10 1 128 ALA 1.10 -2.50 1 129 THR 4.40 -4.20 1 130 LEU 4.70 -3.50 1 131 VAL 4.30 -4.20 1 132 LYS -0.30 -2.50 1 133 ASP -1.00 -1.40 1 135 GLU -0.10 -3.90 1 137 GLU 3.30 -2.60 1 138 GLN -0.80 -3.20 1 139 PHE 0.10 -1.90 1 142 LYS 1.50 -2.50 1 143 ASP 1.70 -3.00 1 144 ALA -0.30 -2.20 1 146 LEU 0.50 -2.50 1 147 GLU 0.10 -1.10 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5222_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -9.80 _LACS_plot.Line_1_terminator_val_y_1 1.27 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.08 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.37 _LACS_plot.Line_2_terminator_val_x_2 8.80 _LACS_plot.Line_2_terminator_val_y_2 -0.82 _LACS_plot.Y_axis_chem_shift_offset -0.15 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 139 PHE 0.10 -2.54 0 10 ILE 1.60 -0.01 1 12 LYS -5.30 0.96 1 13 LEU -6.20 0.46 1 14 ARG -1.40 0.59 1 15 ARG -1.60 0.37 1 17 ASP 0.40 0.21 1 19 GLU -6.30 1.15 1 20 VAL -5.00 0.46 1 21 GLU 0.10 0.36 1 22 VAL 6.20 -0.62 1 23 LYS 4.00 -0.10 1 24 SER 2.90 -0.07 1 25 LEU 1.90 -0.24 1 26 ALA 1.90 -0.25 1 28 LYS -1.30 0.31 1 29 LEU -0.60 0.46 1 30 VAL -1.70 0.28 1 31 PHE -2.70 0.73 1 32 PHE -1.40 0.38 1 33 TYR -5.50 0.28 1 34 PHE -1.00 0.56 1 35 SER -2.20 -0.36 1 36 ALA -3.90 0.59 1 37 SER 3.70 -1.78 1 38 TRP -3.50 -0.06 1 43 ARG 4.80 -0.12 1 45 PHE 2.10 0.02 1 48 GLN 4.70 -0.17 1 49 LEU 3.80 -0.30 1 50 ILE 7.90 -0.39 1 51 GLU 3.90 -0.21 1 52 PHE 3.00 -0.27 1 53 TYR 3.00 -0.33 1 54 ASP 4.50 -0.19 1 55 LYS 3.80 -0.58 1 56 PHE -1.70 0.37 1 57 HIS 8.80 -2.32 1 58 GLU 2.30 -0.28 1 59 SER 4.30 -0.36 1 60 LYS 2.10 0.17 1 61 ASN 2.00 -0.27 1 62 PHE -6.70 1.73 1 63 GLU -9.80 0.98 1 64 VAL -2.60 0.82 1 65 VAL -2.40 0.13 1 66 PHE -1.30 0.68 1 68 THR 0.70 -0.04 1 69 TRP -1.20 0.59 1 70 ASP 3.20 0.26 1 71 GLU -0.60 0.24 1 72 GLU -3.40 0.50 1 73 GLU 4.50 -1.86 1 74 ASP 4.60 -0.19 1 76 PHE 4.00 -0.04 1 77 ALA 4.00 -0.50 1 79 TYR -1.60 0.27 1 80 PHE 2.40 -0.24 1 81 ALA 2.80 -0.57 1 82 LYS 0.00 -0.22 1 83 MET 0.30 -1.10 1 85 TRP 0.60 0.34 1 86 LEU -3.70 1.76 1 87 ALA -2.90 0.94 1 88 VAL 2.10 -0.39 1 90 PHE 5.60 0.02 1 91 ALA 2.20 0.58 1 92 GLN 2.00 0.30 1 93 SER 5.50 -0.60 1 94 GLU 4.80 -0.33 1 95 ALA 3.50 -0.15 1 96 VAL 7.30 -0.51 1 97 GLN 5.80 -0.27 1 98 LYS 4.90 -0.30 1 99 LEU 2.00 -0.08 1 100 SER 4.60 -0.61 1 101 LYS 3.90 -0.04 1 102 HIS 4.20 -0.64 1 103 PHE -0.20 0.08 1 104 ASN 3.30 -0.41 1 105 VAL 4.20 -0.33 1 106 GLU -1.60 0.26 1 107 SER -3.30 0.29 1 108 ILE -2.10 -0.38 1 110 THR -1.50 0.00 1 111 LEU -5.90 1.35 1 112 ILE -4.40 0.66 1 114 VAL -5.30 0.86 1 115 ASP -1.80 0.09 1 116 ALA 3.30 -0.53 1 117 ASP 4.80 -0.10 1 118 SER -0.10 0.00 1 120 ASP 2.20 -0.09 1 121 VAL 3.40 -0.21 1 122 VAL 1.50 -0.16 1 123 THR -2.30 0.79 1 124 THR -0.30 0.58 1 125 ARG -0.40 0.63 1 126 ALA 1.50 -0.16 1 127 ARG 4.60 -0.67 1 128 ALA 1.10 -0.25 1 129 THR 4.40 -0.77 1 130 LEU 4.70 -1.15 1 131 VAL 4.30 -0.40 1 132 LYS -0.30 0.06 1 133 ASP -1.00 0.37 1 135 GLU -0.10 0.62 1 137 GLU 3.30 -0.35 1 138 GLN -0.80 0.16 1 141 TRP 6.20 -0.50 1 142 LYS 1.50 -0.20 1 143 ASP 1.70 -0.10 1 144 ALA -0.30 0.02 1 146 LEU 0.50 -0.03 1 147 GLU 0.10 -0.21 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5222_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -9.80 _LACS_plot.Line_1_terminator_val_y_1 -6.05 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.62 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -3.26 _LACS_plot.Line_2_terminator_val_x_2 8.80 _LACS_plot.Line_2_terminator_val_y_2 1.07 _LACS_plot.Y_axis_chem_shift_offset 2.42 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 57 HIS 8.80 3.60 0 63 GLU -9.80 -4.50 0 12 LYS -5.30 -4.30 1 13 LEU -6.20 -4.00 1 14 ARG -1.40 1.10 1 15 ARG -1.60 -2.70 1 17 ASP 0.40 -2.50 1 19 GLU -6.30 -3.10 1 20 VAL -5.00 -3.60 1 21 GLU 0.10 0.00 1 22 VAL 6.20 -0.70 1 23 LYS 4.00 -1.20 1 24 SER 2.90 -2.20 1 25 LEU 1.90 -5.90 1 26 ALA 1.90 -1.00 1 28 LYS -1.30 -2.30 1 29 LEU -0.60 -4.50 1 30 VAL -1.70 -4.70 1 31 PHE -2.70 -2.90 1 32 PHE -1.40 -4.00 1 33 TYR -5.50 -5.00 1 34 PHE -1.00 -4.30 1 35 SER -2.20 -5.80 1 36 ALA -3.90 -3.20 1 37 SER 3.70 -1.90 1 38 TRP -3.50 -2.70 1 48 GLN 4.70 0.50 1 49 LEU 3.80 -1.60 1 50 ILE 7.90 -2.00 1 51 GLU 3.90 -0.50 1 52 PHE 3.00 -0.80 1 53 TYR 3.00 0.60 1 54 ASP 4.50 0.50 1 55 LYS 3.80 0.90 1 56 PHE -1.70 -1.80 1 58 GLU 2.30 0.10 1 59 SER 4.30 0.00 1 60 LYS 2.10 -3.80 1 61 ASN 2.00 1.70 1 62 PHE -6.70 -5.30 1 64 VAL -2.60 -5.70 1 65 VAL -2.40 -3.20 1 66 PHE -1.30 -4.00 1 68 THR 0.70 -3.70 1 69 TRP -1.20 -1.00 1 70 ASP 3.20 -3.10 1 71 GLU -0.60 -2.70 1 72 GLU -3.40 -2.60 1 73 GLU 4.50 -1.40 1 74 ASP 4.60 1.10 1 76 PHE 4.00 -1.70 1 77 ALA 4.00 1.80 1 79 TYR -1.60 -0.50 1 80 PHE 2.40 -0.30 1 81 ALA 2.80 -2.10 1 82 LYS 0.00 -3.20 1 85 TRP 0.60 -4.70 1 86 LEU -3.70 -0.80 1 87 ALA -2.90 -3.00 1 90 PHE 5.60 -0.60 1 91 ALA 2.20 -1.30 1 92 GLN 2.00 -2.80 1 93 SER 5.50 -0.30 1 94 GLU 4.80 -0.30 1 95 ALA 3.50 1.50 1 96 VAL 7.30 0.60 1 97 GLN 5.80 0.80 1 98 LYS 4.90 0.80 1 99 LEU 2.00 -1.20 1 100 SER 4.60 -1.10 1 101 LYS 3.90 1.20 1 102 HIS 4.20 0.60 1 103 PHE -0.20 -4.10 1 104 ASN 3.30 -3.50 1 105 VAL 4.20 -3.10 1 106 GLU -1.60 -2.90 1 107 SER -3.30 -5.50 1 110 THR -1.50 -5.90 1 111 LEU -5.90 -6.40 1 112 ILE -4.40 -3.60 1 114 VAL -5.30 -5.40 1 115 ASP -1.80 -2.10 1 116 ALA 3.30 -1.40 1 117 ASP 4.80 -0.20 1 118 SER -0.10 -0.10 1 120 ASP 2.20 -2.90 1 121 VAL 3.40 -2.60 1 122 VAL 1.50 -3.40 1 123 THR -2.30 -3.90 1 124 THR -0.30 -1.30 1 125 ARG -0.40 -2.30 1 126 ALA 1.50 -3.50 1 127 ARG 4.60 -1.90 1 128 ALA 1.10 0.20 1 129 THR 4.40 -0.30 1 130 LEU 4.70 -1.50 1 131 VAL 4.30 -1.60 1 132 LYS -0.30 -3.80 1 135 GLU -0.10 -2.00 1 137 GLU 3.30 0.30 1 138 GLN -0.80 -2.80 1 141 TRP 6.20 -1.30 1 142 LYS 1.50 -0.90 1 143 ASP 1.70 -2.80 1 146 LEU 0.50 -3.50 1 stop_ save_