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 bmr17031_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.70 _LACS_plot.Line_1_terminator_val_y_1 -3.17 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.35 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.94 _LACS_plot.Line_2_terminator_val_x_2 9.79 _LACS_plot.Line_2_terminator_val_y_2 7.19 _LACS_plot.Y_axis_chem_shift_offset -0.38 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 81 PHE -1.90 3.20 0 10 LYS 0.10 0.10 1 11 ARG -0.00 -0.20 1 12 GLN -0.50 0.00 1 13 LYS -2.00 -1.10 1 14 TYR -1.20 0.20 1 15 ALA -5.20 -1.80 1 16 MET 0.00 -1.70 1 17 LYS -1.80 -0.80 1 20 LEU -1.40 -0.30 1 21 SER -2.30 -0.90 1 22 ALA 4.80 3.60 1 23 LEU 3.30 3.10 1 24 GLU 1.70 2.50 1 25 LYS 4.80 5.00 1 26 ASN 4.00 2.70 1 27 ALA 3.40 2.50 1 28 VAL 5.60 4.20 1 29 ILE 5.50 3.90 1 30 LYS 4.80 3.80 1 31 ALA 4.40 2.40 1 32 ALA 5.50 3.10 1 33 TYR 3.40 1.40 1 34 ARG 5.10 4.20 1 35 GLN 4.00 1.60 1 36 ILE 2.40 0.80 1 37 PHE -0.80 -0.40 1 38 GLU 5.40 1.60 1 39 ARG -2.50 -1.40 1 40 ASP 0.20 -0.10 1 41 ILE 0.20 -0.60 1 42 THR 1.20 1.40 1 43 LYS 2.70 1.60 1 44 ALA 0.80 0.40 1 45 TYR 1.00 0.80 1 46 SER -0.60 -0.20 1 47 GLN 4.40 3.30 1 48 SER 3.90 2.90 1 49 ILE 3.10 1.80 1 50 SER 5.00 3.80 1 51 TYR 4.10 3.00 1 52 LEU 2.50 2.60 1 53 GLU 3.40 3.00 1 54 SER 4.80 3.60 1 55 GLN 2.80 3.50 1 56 VAL 2.50 1.40 1 57 ARG 4.50 4.20 1 58 ASN 0.10 0.10 1 60 ASP 2.00 2.80 1 61 ILE -5.20 -2.50 1 62 SER -3.90 -1.80 1 63 MET 5.10 1.20 1 64 LYS 3.30 3.60 1 65 GLU 1.40 1.00 1 66 PHE 3.80 3.30 1 67 VAL 7.10 5.40 1 68 ARG 2.50 3.20 1 69 ARG 3.10 3.00 1 70 LEU 3.00 2.90 1 71 ALA 2.40 0.80 1 72 LYS -1.80 -0.10 1 73 SER 2.30 2.20 1 75 LEU 3.60 3.00 1 76 TYR 5.40 5.50 1 77 ARG 3.70 3.70 1 78 LYS 3.30 2.80 1 79 GLN 0.80 1.90 1 80 PHE -0.10 0.10 1 82 GLU 6.90 6.20 1 84 PHE -5.00 -1.60 1 85 ILE 1.60 1.20 1 86 ASN 4.10 3.30 1 87 SER 4.70 2.90 1 88 ARG 1.60 1.20 1 89 ALA 3.20 3.20 1 90 LEU 4.40 4.10 1 91 GLU 4.80 3.90 1 92 LEU 2.30 2.60 1 93 ALA 4.60 3.20 1 94 PHE 7.70 5.70 1 95 ARG 5.40 4.30 1 96 HIS 2.20 2.80 1 97 ILE 3.70 2.90 1 98 LEU -3.80 -1.40 1 100 ARG -3.40 -2.10 1 103 SER -0.70 0.90 1 104 SER -3.40 -1.20 1 105 ARG 4.20 2.90 1 106 GLU 4.90 3.80 1 107 GLU 3.00 3.50 1 108 VAL 6.90 5.60 1 109 GLN 4.70 3.50 1 110 LYS 3.90 3.20 1 111 TYR 4.40 4.40 1 112 PHE 4.30 3.30 1 113 SER 4.90 3.70 1 114 ILE 4.30 4.20 1 115 VAL 3.70 2.60 1 116 SER 4.40 3.50 1 117 SER 1.50 1.60 1 120 LEU 9.80 5.70 1 122 ALA 1.40 1.70 1 123 LEU 3.60 3.10 1 124 VAL 6.50 5.30 1 125 ASP 5.40 3.70 1 126 ALA 2.30 2.10 1 127 LEU 1.60 2.60 1 128 VAL 3.80 2.70 1 129 ASP 2.50 0.80 1 130 SER -0.20 0.80 1 131 GLN 3.40 2.20 1 132 GLU 3.40 3.10 1 133 TYR 4.20 4.30 1 134 ALA 4.50 3.20 1 135 ASP 3.10 2.50 1 136 TYR 5.10 3.50 1 137 PHE -2.00 -2.30 1 139 GLU 0.00 1.50 1 140 GLU -1.50 0.90 1 141 THR 2.70 2.00 1 142 VAL 1.60 1.40 1 144 TYR -6.70 -4.50 1 145 LEU 1.10 0.50 1 146 ARG -0.40 0.40 1 148 LEU 0.40 0.20 1 149 GLU -0.30 0.00 1 150 HIS -0.40 1.00 1 151 HIS 1.00 2.20 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17031_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.70 _LACS_plot.Line_1_terminator_val_y_1 3.53 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.65 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 1.06 _LACS_plot.Line_2_terminator_val_x_2 9.79 _LACS_plot.Line_2_terminator_val_y_2 -2.60 _LACS_plot.Y_axis_chem_shift_offset -0.38 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 81 PHE -1.90 5.10 0 10 LYS 0.10 0.00 1 11 ARG -0.00 -0.20 1 12 GLN -0.50 0.50 1 13 LYS -2.00 0.90 1 14 TYR -1.20 1.40 1 15 ALA -5.20 3.40 1 16 MET 0.00 -1.70 1 17 LYS -1.80 1.00 1 20 LEU -1.40 1.10 1 21 SER -2.30 1.40 1 22 ALA 4.80 -1.20 1 23 LEU 3.30 -0.20 1 24 GLU 1.70 0.80 1 25 LYS 4.80 0.20 1 26 ASN 4.00 -1.30 1 27 ALA 3.40 -0.90 1 28 VAL 5.60 -1.40 1 29 ILE 5.50 -1.60 1 30 LYS 4.80 -1.00 1 31 ALA 4.40 -2.00 1 32 ALA 5.50 -2.40 1 33 TYR 3.40 -2.00 1 34 ARG 5.10 -0.90 1 35 GLN 4.00 -2.40 1 36 ILE 2.40 -1.60 1 37 PHE -0.80 0.40 1 38 GLU 5.40 -3.80 1 39 ARG -2.50 1.10 1 40 ASP 0.20 -0.30 1 41 ILE 0.20 -0.80 1 42 THR 1.20 0.20 1 43 LYS 2.70 -1.10 1 44 ALA 0.80 -0.40 1 45 TYR 1.00 -0.20 1 46 SER -0.60 0.40 1 47 GLN 4.40 -1.10 1 48 SER 3.90 -1.00 1 49 ILE 3.10 -1.30 1 50 SER 5.00 -1.20 1 51 TYR 4.10 -1.10 1 52 LEU 2.50 0.10 1 53 GLU 3.40 -0.40 1 54 SER 4.80 -1.20 1 55 GLN 2.80 0.70 1 56 VAL 2.50 -1.10 1 57 ARG 4.50 -0.30 1 58 ASN 0.10 0.00 1 60 ASP 2.00 0.80 1 61 ILE -5.20 2.70 1 62 SER -3.90 2.10 1 63 MET 5.10 -3.90 1 64 LYS 3.30 0.30 1 65 GLU 1.40 -0.40 1 66 PHE 3.80 -0.50 1 67 VAL 7.10 -1.70 1 68 ARG 2.50 0.70 1 69 ARG 3.10 -0.10 1 70 LEU 3.00 -0.10 1 71 ALA 2.40 -1.60 1 72 LYS -1.80 1.70 1 73 SER 2.30 -0.10 1 75 LEU 3.60 -0.60 1 76 TYR 5.40 0.10 1 77 ARG 3.70 0.00 1 78 LYS 3.30 -0.50 1 79 GLN 0.80 1.10 1 80 PHE -0.10 0.20 1 82 GLU 6.90 -0.70 1 84 PHE -5.00 3.40 1 85 ILE 1.60 -0.40 1 86 ASN 4.10 -0.80 1 87 SER 4.70 -1.80 1 88 ARG 1.60 -0.40 1 89 ALA 3.20 0.00 1 90 LEU 4.40 -0.30 1 91 GLU 4.80 -0.90 1 92 LEU 2.30 0.30 1 93 ALA 4.60 -1.40 1 94 PHE 7.70 -2.00 1 95 ARG 5.40 -1.10 1 96 HIS 2.20 0.60 1 97 ILE 3.70 -0.80 1 98 LEU -3.80 2.40 1 100 ARG -3.40 1.30 1 103 SER -0.70 1.60 1 104 SER -3.40 2.20 1 105 ARG 4.20 -1.30 1 106 GLU 4.90 -1.10 1 107 GLU 3.00 0.50 1 108 VAL 6.90 -1.30 1 109 GLN 4.70 -1.20 1 110 LYS 3.90 -0.70 1 111 TYR 4.40 0.00 1 112 PHE 4.30 -1.00 1 113 SER 4.90 -1.20 1 114 ILE 4.30 -0.10 1 115 VAL 3.70 -1.10 1 116 SER 4.40 -0.90 1 117 SER 1.50 0.10 1 120 LEU 9.80 -4.10 1 122 ALA 1.40 0.30 1 123 LEU 3.60 -0.50 1 124 VAL 6.50 -1.20 1 125 ASP 5.40 -1.70 1 126 ALA 2.30 -0.20 1 127 LEU 1.60 1.00 1 128 VAL 3.80 -1.10 1 129 ASP 2.50 -1.70 1 130 SER -0.20 1.00 1 131 GLN 3.40 -1.20 1 132 GLU 3.40 -0.30 1 133 TYR 4.20 0.10 1 134 ALA 4.50 -1.30 1 135 ASP 3.10 -0.60 1 136 TYR 5.10 -1.60 1 137 PHE -2.00 -0.30 1 139 GLU 0.00 1.50 1 140 GLU -1.50 2.40 1 141 THR 2.70 -0.70 1 142 VAL 1.60 -0.20 1 144 TYR -6.70 2.20 1 145 LEU 1.10 -0.60 1 146 ARG -0.40 0.80 1 148 LEU 0.40 -0.20 1 149 GLU -0.30 0.30 1 150 HIS -0.40 1.40 1 151 HIS 1.00 1.20 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17031_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.70 _LACS_plot.Line_1_terminator_val_y_1 0.51 _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 0.16 _LACS_plot.Line_2_terminator_val_x_2 9.79 _LACS_plot.Line_2_terminator_val_y_2 -0.92 _LACS_plot.Y_axis_chem_shift_offset 0.03 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 71 ALA 2.40 -1.06 0 15 ALA -5.20 0.90 0 144 TYR -6.70 0.16 0 10 LYS 0.10 -0.04 1 11 ARG -0.00 -0.12 1 12 GLN -0.50 -0.22 1 13 LYS -2.00 0.12 1 14 TYR -1.20 -0.05 1 16 MET 0.00 0.24 1 17 LYS -1.80 0.22 1 20 LEU -1.40 0.05 1 21 SER -2.30 0.01 1 22 ALA 4.80 -0.32 1 23 LEU 3.30 -0.26 1 24 GLU 1.70 -0.23 1 25 LYS 4.80 -0.55 1 26 ASN 4.00 -0.39 1 27 ALA 3.40 -0.23 1 28 VAL 5.60 -0.77 1 29 ILE 5.50 -0.99 1 30 LYS 4.80 -0.39 1 31 ALA 4.40 -0.58 1 32 ALA 5.50 -0.38 1 33 TYR 3.40 0.11 1 34 ARG 5.10 -0.64 1 35 GLN 4.00 -0.21 1 36 ILE 2.40 -0.74 1 37 PHE -0.80 0.11 1 38 GLU 5.40 -0.03 1 39 ARG -2.50 0.15 1 40 ASP 0.20 0.03 1 41 ILE 0.20 -0.11 1 42 THR 1.20 -0.40 1 43 LYS 2.70 -0.29 1 44 ALA 0.80 -0.16 1 45 TYR 1.00 -0.22 1 46 SER -0.60 -0.13 1 47 GLN 4.40 -0.24 1 48 SER 3.90 -0.13 1 49 ILE 3.10 0.06 1 50 SER 5.00 -0.33 1 51 TYR 4.10 -0.14 1 52 LEU 2.50 -0.16 1 53 GLU 3.40 -0.63 1 54 SER 4.80 -0.33 1 55 GLN 2.80 -0.12 1 56 VAL 2.50 0.10 1 57 ARG 4.50 -0.64 1 58 ASN 0.10 -0.07 1 60 ASP 2.00 -0.28 1 61 ILE -5.20 0.49 1 62 SER -3.90 0.05 1 63 MET 5.10 0.12 1 64 LYS 3.30 -0.30 1 65 GLU 1.40 -0.28 1 66 PHE 3.80 -0.37 1 67 VAL 7.10 -1.12 1 68 ARG 2.50 -1.05 1 69 ARG 3.10 -0.51 1 70 LEU 3.00 -0.47 1 72 LYS -1.80 -0.20 1 73 SER 2.30 -0.24 1 75 LEU 3.60 -0.31 1 76 TYR 5.40 -0.60 1 77 ARG 3.70 -0.37 1 78 LYS 3.30 -0.28 1 79 GLN 0.80 -0.37 1 80 PHE -0.10 0.52 1 81 PHE -1.90 0.49 1 82 GLU 6.90 -0.56 1 84 PHE -5.00 0.37 1 85 ILE 1.60 -0.01 1 86 ASN 4.10 -0.36 1 87 SER 4.70 -0.28 1 88 ARG 1.60 0.04 1 89 ALA 3.20 -0.21 1 90 LEU 4.40 -0.15 1 91 GLU 4.80 -0.74 1 92 LEU 2.30 -0.74 1 93 ALA 4.60 -0.21 1 94 PHE 7.70 -1.04 1 95 ARG 5.40 -0.92 1 96 HIS 2.20 -0.39 1 97 ILE 3.70 -0.42 1 98 LEU -3.80 0.49 1 100 ARG -3.40 0.38 1 103 SER -0.70 -0.07 1 104 SER -3.40 0.17 1 105 ARG 4.20 -0.34 1 106 GLU 4.90 -0.35 1 107 GLU 3.00 -0.11 1 108 VAL 6.90 -0.70 1 109 GLN 4.70 -0.34 1 110 LYS 3.90 -0.27 1 111 TYR 4.40 -0.27 1 112 PHE 4.30 -0.26 1 113 SER 4.90 -0.26 1 114 ILE 4.30 -0.42 1 115 VAL 3.70 -0.20 1 116 SER 4.40 -0.34 1 117 SER 1.50 0.03 1 120 LEU 9.80 -0.88 1 122 ALA 1.40 -0.21 1 123 LEU 3.60 -0.34 1 124 VAL 6.50 -1.04 1 125 ASP 5.40 -0.61 1 126 ALA 2.30 -0.26 1 127 LEU 1.60 -0.29 1 128 VAL 3.80 -1.15 1 129 ASP 2.50 0.11 1 130 SER -0.20 -0.21 1 131 GLN 3.40 -0.37 1 132 GLU 3.40 -0.28 1 133 TYR 4.20 -0.92 1 134 ALA 4.50 -0.32 1 135 ASP 3.10 -0.48 1 136 TYR 5.10 -0.70 1 137 PHE -2.00 0.31 1 139 GLU 0.00 0.09 1 140 GLU -1.50 0.56 1 141 THR 2.70 0.28 1 142 VAL 1.60 -0.76 1 145 LEU 1.10 0.06 1 146 ARG -0.40 0.12 1 148 LEU 0.40 -0.07 1 149 GLU -0.30 -0.18 1 150 HIS -0.40 -0.18 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17031_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.70 _LACS_plot.Line_1_terminator_val_y_1 -2.11 _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 -0.35 _LACS_plot.Line_2_terminator_val_x_2 7.69 _LACS_plot.Line_2_terminator_val_y_2 2.86 _LACS_plot.Y_axis_chem_shift_offset -0.29 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 71 ALA 2.40 -3.80 0 97 ILE 3.70 -3.60 0 10 LYS 0.10 -0.40 1 11 ARG -0.00 -0.70 1 12 GLN -0.50 -1.50 1 13 LYS -2.00 -0.90 1 14 TYR -1.20 -2.20 1 15 ALA -5.20 -1.60 1 16 MET 0.00 -2.60 1 20 LEU -1.40 -0.10 1 21 SER -2.30 0.00 1 22 ALA 4.80 2.40 1 23 LEU 3.30 3.20 1 24 GLU 1.70 3.30 1 25 LYS 4.80 1.90 1 26 ASN 4.00 2.50 1 27 ALA 3.40 2.40 1 28 VAL 5.60 0.70 1 29 ILE 5.50 0.70 1 30 LYS 4.80 2.50 1 31 ALA 4.40 3.00 1 32 ALA 5.50 1.20 1 33 TYR 3.40 2.90 1 34 ARG 5.10 2.30 1 35 GLN 4.00 0.00 1 36 ILE 2.40 -2.90 1 37 PHE -0.80 0.40 1 38 GLU 5.40 -1.70 1 39 ARG -2.50 -3.00 1 40 ASP 0.20 0.70 1 41 ILE 0.20 -0.70 1 42 THR 1.20 0.50 1 43 LYS 2.70 0.30 1 44 ALA 0.80 0.00 1 45 TYR 1.00 0.30 1 47 GLN 4.40 2.40 1 48 SER 3.90 2.10 1 49 ILE 3.10 0.70 1 50 SER 5.00 2.80 1 51 TYR 4.10 2.40 1 52 LEU 2.50 1.00 1 53 GLU 3.40 2.00 1 54 SER 4.80 1.60 1 55 GLN 2.80 2.90 1 56 VAL 2.50 2.00 1 57 ARG 4.50 1.10 1 58 ASN 0.10 0.70 1 60 ASP 2.00 0.50 1 61 ILE -5.20 -2.40 1 62 SER -3.90 -0.10 1 63 MET 5.10 0.00 1 64 LYS 3.30 0.50 1 65 GLU 1.40 1.80 1 66 PHE 3.80 0.70 1 68 ARG 2.50 1.30 1 69 ARG 3.10 4.50 1 70 LEU 3.00 3.10 1 72 LYS -1.80 1.00 1 75 LEU 3.60 0.90 1 76 TYR 5.40 2.20 1 77 ARG 3.70 3.20 1 79 GLN 0.80 1.40 1 80 PHE -0.10 -0.80 1 81 PHE -1.90 -1.80 1 84 PHE -5.00 0.30 1 85 ILE 1.60 0.90 1 86 ASN 4.10 2.20 1 87 SER 4.70 1.50 1 88 ARG 1.60 1.00 1 89 ALA 3.20 3.30 1 91 GLU 4.80 1.90 1 92 LEU 2.30 0.30 1 93 ALA 4.60 1.20 1 94 PHE 7.70 2.40 1 95 ARG 5.40 2.50 1 96 HIS 2.20 0.60 1 98 LEU -3.80 0.50 1 100 ARG -3.40 -2.90 1 103 SER -0.70 -0.60 1 104 SER -3.40 -0.40 1 105 ARG 4.20 2.20 1 106 GLU 4.90 2.50 1 107 GLU 3.00 1.90 1 109 GLN 4.70 3.00 1 110 LYS 3.90 2.80 1 111 TYR 4.40 2.00 1 112 PHE 4.30 3.40 1 113 SER 4.90 2.10 1 114 ILE 4.30 1.80 1 115 VAL 3.70 2.10 1 116 SER 4.40 0.40 1 117 SER 1.50 1.40 1 124 VAL 6.50 1.30 1 125 ASP 5.40 0.20 1 126 ALA 2.30 2.40 1 127 LEU 1.60 1.90 1 128 VAL 3.80 -0.40 1 129 ASP 2.50 0.10 1 130 SER -0.20 0.50 1 131 GLN 3.40 1.30 1 132 GLU 3.40 0.80 1 133 TYR 4.20 3.10 1 134 ALA 4.50 1.90 1 135 ASP 3.10 1.50 1 136 TYR 5.10 0.80 1 137 PHE -2.00 0.40 1 139 GLU 0.00 1.20 1 140 GLU -1.50 0.70 1 141 THR 2.70 -0.60 1 144 TYR -6.70 -2.90 1 145 LEU 1.10 0.60 1 146 ARG -0.40 0.50 1 148 LEU 0.40 -0.10 1 150 HIS -0.40 -0.10 1 stop_ save_