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 bmr18580_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -0.40 _LACS_plot.Line_1_terminator_val_y_1 -0.13 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 1.41 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.41 _LACS_plot.Line_2_terminator_val_x_2 3.81 _LACS_plot.Line_2_terminator_val_y_2 2.96 _LACS_plot.Y_axis_chem_shift_offset -0.11 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 103 HIS 2.06 2.74 0 121 HIS 1.19 2.14 0 10 MET 0.36 0.32 1 11 SER -0.16 0.11 1 12 ASP 0.83 0.63 1 13 TYR -0.30 -0.21 1 14 ASP 1.60 2.02 1 17 THR 0.02 0.09 1 18 THR 0.62 0.49 1 19 GLU 0.07 0.46 1 20 ASN 0.46 0.38 1 21 LEU 0.61 0.56 1 22 TYR 0.19 0.13 1 23 PHE 0.07 0.17 1 24 GLN 0.73 0.51 1 26 ALA -0.40 0.01 1 27 MET 0.34 0.27 1 28 VAL 0.19 0.13 1 30 ASN 0.41 0.32 1 31 ASN 0.52 0.34 1 32 ARG 0.56 0.36 1 36 SER 1.27 1.95 1 38 ARG 0.21 0.21 1 39 THR -0.12 0.01 1 40 LEU 0.41 0.37 1 41 ASP 0.39 0.50 1 42 SER 0.74 0.74 1 43 GLU 0.68 0.84 1 44 GLU 0.88 0.88 1 45 ASN 1.21 1.21 1 46 ASP 1.26 1.16 1 47 LYS 1.93 1.28 1 48 ARG 1.60 1.10 1 49 ARG 1.19 0.92 1 52 ASN 0.96 0.80 1 53 VAL 2.56 1.99 1 54 LEU 1.84 1.33 1 55 GLU 1.31 1.28 1 56 ARG 2.40 1.91 1 57 GLN 2.22 1.68 1 58 ARG 1.84 1.46 1 60 ASN 1.76 1.38 1 61 GLU 1.31 1.32 1 62 LEU 1.55 1.25 1 63 LYS 1.50 1.12 1 64 LEU 1.07 0.86 1 65 ARG 1.08 0.85 1 66 PHE 0.80 0.69 1 67 PHE 0.55 0.52 1 68 ALA 0.12 0.28 1 69 LEU 0.63 0.45 1 70 ARG 0.84 0.64 1 71 ASP 0.49 0.47 1 72 GLN 1.13 1.94 1 75 GLU -0.25 0.22 1 76 VAL 0.05 0.02 1 77 ALA -0.39 -0.01 1 78 ASN 0.26 0.28 1 79 ASN 0.37 0.31 1 80 GLU 0.21 0.43 1 81 LYS 1.51 1.80 1 84 LYS 0.22 0.17 1 85 VAL 0.09 0.12 1 86 VAL 0.14 0.15 1 87 ILE -0.03 -0.40 1 88 LEU -0.23 -0.15 1 89 LYS 0.03 0.12 1 90 LYS -0.05 0.12 1 91 ALA 0.40 0.48 1 92 THR 0.68 0.58 1 93 GLU -0.15 0.30 1 94 TYR 0.44 0.45 1 95 VAL 0.66 0.59 1 96 LEU 0.64 0.55 1 97 SER 0.32 0.21 1 98 LEU 0.49 0.35 1 99 GLN 0.36 0.37 1 100 SER 0.09 0.28 1 101 ASP 1.18 1.05 1 102 GLU 1.84 1.72 1 104 LYS 2.17 1.87 1 105 LEU 1.93 1.52 1 106 ILE 2.49 1.98 1 107 ALA 2.12 1.58 1 108 GLU 2.25 2.15 1 109 LYS 3.56 2.92 1 110 GLU 2.41 1.79 1 111 GLN 3.70 2.75 1 112 LEU 3.00 2.38 1 113 ARG 3.81 2.99 1 114 ARG 3.22 2.57 1 115 ARG 3.03 2.41 1 116 ARG 3.33 2.67 1 117 GLU 1.78 1.68 1 118 GLN 2.35 1.85 1 119 LEU 1.96 1.60 1 120 LYS 2.23 1.75 1 122 ASN 1.65 1.30 1 123 LEU 1.90 1.50 1 124 GLU 1.54 1.37 1 125 GLN 1.56 1.12 1 126 LEU 1.19 0.92 1 127 ARG 1.25 0.96 1 128 ASN 0.34 0.36 1 129 SER 0.38 0.44 1 130 ARG 0.10 0.01 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18580_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -0.40 _LACS_plot.Line_1_terminator_val_y_1 0.27 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -0.58 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.59 _LACS_plot.Line_2_terminator_val_x_2 3.81 _LACS_plot.Line_2_terminator_val_y_2 -0.85 _LACS_plot.Y_axis_chem_shift_offset -0.11 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 103 HIS 2.06 0.68 0 121 HIS 1.19 0.95 0 10 MET 0.36 -0.04 1 11 SER -0.16 0.27 1 12 ASP 0.83 -0.20 1 13 TYR -0.30 0.09 1 14 ASP 1.60 0.42 1 17 THR 0.02 0.07 1 18 THR 0.62 -0.13 1 19 GLU 0.07 0.39 1 20 ASN 0.46 -0.08 1 21 LEU 0.61 -0.05 1 22 TYR 0.19 -0.06 1 23 PHE 0.07 0.10 1 24 GLN 0.73 -0.22 1 26 ALA -0.40 0.41 1 27 MET 0.34 -0.07 1 28 VAL 0.19 -0.06 1 30 ASN 0.41 -0.09 1 31 ASN 0.52 -0.18 1 32 ARG 0.56 -0.20 1 36 SER 1.27 0.68 1 38 ARG 0.21 0.00 1 39 THR -0.12 0.13 1 40 LEU 0.41 -0.04 1 41 ASP 0.39 0.11 1 42 SER 0.74 0.00 1 43 GLU 0.68 0.16 1 44 GLU 0.88 0.00 1 45 ASN 1.21 0.00 1 46 ASP 1.26 -0.10 1 47 LYS 1.93 -0.65 1 48 ARG 1.60 -0.50 1 49 ARG 1.19 -0.27 1 52 ASN 0.96 -0.16 1 53 VAL 2.56 -0.57 1 54 LEU 1.84 -0.51 1 55 GLU 1.31 -0.03 1 56 ARG 2.40 -0.49 1 57 GLN 2.22 -0.54 1 58 ARG 1.84 -0.38 1 60 ASN 1.76 -0.38 1 61 GLU 1.31 0.01 1 62 LEU 1.55 -0.30 1 63 LYS 1.50 -0.38 1 64 LEU 1.07 -0.21 1 65 ARG 1.08 -0.23 1 66 PHE 0.80 -0.11 1 67 PHE 0.55 -0.03 1 68 ALA 0.12 0.16 1 69 LEU 0.63 -0.18 1 70 ARG 0.84 -0.20 1 71 ASP 0.49 -0.02 1 72 GLN 1.13 0.81 1 75 GLU -0.25 0.47 1 76 VAL 0.05 -0.03 1 77 ALA -0.39 0.38 1 78 ASN 0.26 0.02 1 79 ASN 0.37 -0.06 1 80 GLU 0.21 0.22 1 81 LYS 1.51 0.29 1 84 LYS 0.22 -0.05 1 85 VAL 0.09 0.03 1 86 VAL 0.14 0.01 1 87 ILE -0.03 -0.37 1 88 LEU -0.23 0.08 1 89 LYS 0.03 0.09 1 90 LYS -0.05 0.17 1 91 ALA 0.40 0.08 1 92 THR 0.68 -0.10 1 93 GLU -0.15 0.45 1 94 TYR 0.44 0.01 1 95 VAL 0.66 -0.07 1 96 LEU 0.64 -0.09 1 97 SER 0.32 -0.11 1 98 LEU 0.49 -0.14 1 99 GLN 0.36 0.01 1 100 SER 0.09 0.19 1 101 ASP 1.18 -0.13 1 102 GLU 1.84 -0.12 1 104 LYS 2.17 -0.30 1 105 LEU 1.93 -0.41 1 106 ILE 2.49 -0.51 1 107 ALA 2.12 -0.54 1 108 GLU 2.25 -0.10 1 109 LYS 3.56 -0.64 1 110 GLU 2.41 -0.62 1 111 GLN 3.70 -0.95 1 112 LEU 3.00 -0.62 1 113 ARG 3.81 -0.82 1 114 ARG 3.22 -0.65 1 115 ARG 3.03 -0.62 1 116 ARG 3.33 -0.66 1 117 GLU 1.78 -0.10 1 118 GLN 2.35 -0.50 1 119 LEU 1.96 -0.36 1 120 LYS 2.23 -0.48 1 122 ASN 1.65 -0.35 1 123 LEU 1.90 -0.40 1 124 GLU 1.54 -0.17 1 125 GLN 1.56 -0.44 1 126 LEU 1.19 -0.27 1 127 ARG 1.25 -0.29 1 128 ASN 0.34 0.02 1 129 SER 0.38 0.06 1 130 ARG 0.10 -0.09 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18580_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -0.40 _LACS_plot.Line_1_terminator_val_y_1 -0.01 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -0.16 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.09 _LACS_plot.Line_2_terminator_val_x_2 3.81 _LACS_plot.Line_2_terminator_val_y_2 -0.27 _LACS_plot.Y_axis_chem_shift_offset 0.04 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 72 GLN 1.13 -0.35 0 10 MET 0.36 0.02 1 11 SER -0.16 -0.04 1 12 ASP 0.83 -0.12 1 13 TYR -0.30 -0.02 1 14 ASP 1.60 -0.33 1 17 THR 0.02 0.04 1 18 THR 0.62 -0.07 1 19 GLU 0.07 -0.11 1 20 ASN 0.46 -0.10 1 21 LEU 0.61 -0.14 1 22 TYR 0.19 -0.04 1 23 PHE 0.07 -0.07 1 24 GLN 0.73 -0.16 1 26 ALA -0.40 0.00 1 27 MET 0.34 -0.04 1 28 VAL 0.19 0.01 1 30 ASN 0.41 -0.04 1 31 ASN 0.52 -0.07 1 32 ARG 0.56 -0.04 1 36 SER 1.27 -0.28 1 38 ARG 0.21 0.03 1 39 THR -0.12 -0.02 1 40 LEU 0.41 0.01 1 41 ASP 0.39 -0.05 1 42 SER 0.74 -0.09 1 43 GLU 0.68 -0.09 1 44 GLU 0.88 -0.18 1 45 ASN 1.21 -0.14 1 46 ASP 1.26 -0.11 1 47 LYS 1.93 -0.12 1 48 ARG 1.60 -0.12 1 49 ARG 1.19 -0.02 1 52 ASN 0.96 -0.09 1 53 VAL 2.56 -0.22 1 54 LEU 1.84 -0.11 1 55 GLU 1.31 -0.20 1 56 ARG 2.40 -0.22 1 57 GLN 2.22 -0.13 1 58 ARG 1.84 -0.13 1 60 ASN 1.76 -0.14 1 61 GLU 1.31 -0.19 1 62 LEU 1.55 -0.14 1 63 LYS 1.50 -0.14 1 64 LEU 1.07 -0.09 1 65 ARG 1.08 -0.16 1 66 PHE 0.80 -0.12 1 67 PHE 0.55 -0.14 1 68 ALA 0.12 -0.08 1 69 LEU 0.63 -0.08 1 70 ARG 0.84 -0.11 1 71 ASP 0.49 -0.08 1 75 GLU -0.25 -0.11 1 76 VAL 0.05 0.01 1 77 ALA -0.39 -0.02 1 78 ASN 0.26 -0.08 1 79 ASN 0.37 -0.06 1 80 GLU 0.21 -0.12 1 81 LYS 1.51 -0.32 1 84 LYS 0.22 -0.04 1 85 VAL 0.09 -0.02 1 86 VAL 0.14 -0.05 1 87 ILE -0.03 -0.03 1 88 LEU -0.23 0.03 1 89 LYS 0.03 -0.04 1 90 LYS -0.05 -0.04 1 91 ALA 0.40 0.00 1 92 THR 0.68 -0.12 1 93 GLU -0.15 -0.12 1 94 TYR 0.44 -0.01 1 95 VAL 0.66 -0.15 1 96 LEU 0.64 -0.06 1 97 SER 0.32 -0.06 1 98 LEU 0.49 -0.02 1 99 GLN 0.36 0.00 1 100 SER 0.09 -0.04 1 101 ASP 1.18 -0.06 1 102 GLU 1.84 -0.25 1 103 HIS 2.06 -0.27 1 104 LYS 2.17 -0.16 1 105 LEU 1.93 -0.09 1 106 ILE 2.49 -0.27 1 107 ALA 2.12 -0.09 1 108 GLU 2.25 -0.23 1 109 LYS 3.56 -0.23 1 110 GLU 2.41 -0.10 1 111 GLN 3.70 -0.25 1 112 LEU 3.00 -0.22 1 113 ARG 3.81 -0.30 1 114 ARG 3.22 -0.25 1 115 ARG 3.03 -0.17 1 116 ARG 3.33 -0.22 1 117 GLU 1.78 -0.23 1 118 GLN 2.35 -0.16 1 119 LEU 1.96 -0.12 1 120 LYS 2.23 -0.19 1 121 HIS 1.19 -0.16 1 122 ASN 1.65 -0.14 1 123 LEU 1.90 -0.13 1 124 GLU 1.54 -0.22 1 125 GLN 1.56 -0.13 1 126 LEU 1.19 -0.08 1 127 ARG 1.25 -0.09 1 128 ASN 0.34 -0.02 1 129 SER 0.38 -0.04 1 130 ARG 0.10 0.04 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18580_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -0.40 _LACS_plot.Line_1_terminator_val_y_1 -0.54 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 1.07 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.61 _LACS_plot.Line_2_terminator_val_x_2 3.81 _LACS_plot.Line_2_terminator_val_y_2 2.29 _LACS_plot.Y_axis_chem_shift_offset 0.27 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 121 HIS 1.19 1.81 0 103 HIS 2.06 2.41 0 10 MET 0.36 0.12 1 11 SER -0.16 -0.27 1 12 ASP 0.83 -0.43 1 13 TYR -0.30 -0.60 1 14 ASP 1.60 0.45 1 17 THR 0.02 0.30 1 18 THR 0.62 0.08 1 19 GLU 0.07 -0.41 1 20 ASN 0.46 -0.01 1 21 LEU 0.61 -0.53 1 22 TYR 0.19 -0.20 1 23 PHE 0.07 -0.27 1 24 GLN 0.73 0.19 1 26 ALA -0.40 -0.15 1 27 MET 0.34 0.01 1 28 VAL 0.19 -0.16 1 30 ASN 0.41 -0.18 1 31 ASN 0.52 0.01 1 32 ARG 0.56 0.01 1 36 SER 1.27 -0.56 1 38 ARG 0.21 0.26 1 39 THR -0.12 -0.09 1 40 LEU 0.41 -0.33 1 41 ASP 0.39 0.23 1 42 SER 0.74 0.50 1 43 GLU 0.68 0.66 1 44 GLU 0.88 0.53 1 45 ASN 1.21 0.61 1 46 ASP 1.26 0.93 1 47 LYS 1.93 0.94 1 48 ARG 1.60 0.70 1 49 ARG 1.19 0.62 1 52 ASN 0.96 0.70 1 53 VAL 2.56 0.66 1 54 LEU 1.84 0.87 1 55 GLU 1.31 1.08 1 56 ARG 2.40 1.17 1 57 GLN 2.22 1.21 1 58 ARG 1.84 1.24 1 60 ASN 1.76 0.98 1 61 GLU 1.31 0.91 1 62 LEU 1.55 0.44 1 63 LYS 1.50 0.51 1 64 LEU 1.07 0.33 1 65 ARG 1.08 -0.01 1 66 PHE 0.80 0.05 1 67 PHE 0.55 -0.28 1 68 ALA 0.12 -0.07 1 69 LEU 0.63 0.12 1 70 ARG 0.84 -0.15 1 71 ASP 0.49 -0.37 1 72 GLN 1.13 1.19 1 75 GLU -0.25 0.04 1 76 VAL 0.05 -0.47 1 77 ALA -0.39 -0.36 1 78 ASN 0.26 -0.06 1 79 ASN 0.37 0.19 1 80 GLU 0.21 -0.10 1 81 LYS 1.51 1.20 1 84 LYS 0.22 -0.06 1 85 VAL 0.09 -0.54 1 86 VAL 0.14 -0.64 1 87 ILE -0.03 -0.46 1 88 LEU -0.23 -0.64 1 89 LYS 0.03 -0.23 1 90 LYS -0.05 -0.12 1 91 ALA 0.40 0.24 1 92 THR 0.68 -0.12 1 93 GLU -0.15 -0.35 1 94 TYR 0.44 -0.05 1 95 VAL 0.66 -0.16 1 96 LEU 0.64 -0.03 1 97 SER 0.32 0.04 1 98 LEU 0.49 -0.03 1 99 GLN 0.36 0.18 1 100 SER 0.09 0.14 1 101 ASP 1.18 0.85 1 102 GLU 1.84 0.90 1 104 LYS 2.17 0.90 1 105 LEU 1.93 0.96 1 106 ILE 2.49 0.98 1 107 ALA 2.12 1.82 1 108 GLU 2.25 1.89 1 109 LYS 3.56 2.37 1 110 GLU 2.41 1.64 1 111 GLN 3.70 2.38 1 112 LEU 3.00 1.21 1 113 ARG 3.81 2.07 1 114 ARG 3.22 2.15 1 115 ARG 3.03 1.87 1 116 ARG 3.33 2.14 1 117 GLU 1.78 1.39 1 118 GLN 2.35 1.37 1 119 LEU 1.96 0.65 1 120 LYS 2.23 0.87 1 122 ASN 1.65 1.11 1 123 LEU 1.90 0.96 1 124 GLU 1.54 0.97 1 125 GLN 1.56 1.01 1 126 LEU 1.19 0.51 1 127 ARG 1.25 0.29 1 128 ASN 0.34 0.16 1 129 SER 0.38 -0.27 1 130 ARG 0.10 -1.29 1 stop_ save_