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 bmr4334_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -3.45 _LACS_plot.Line_1_terminator_val_y_1 -1.46 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.67 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.50 _LACS_plot.Line_2_terminator_val_x_2 8.05 _LACS_plot.Line_2_terminator_val_y_2 6.30 _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 76 LYS 5.70 1.32 0 10 PHE 2.87 2.04 1 11 LYS 3.74 3.20 1 12 GLN 3.11 2.82 1 13 VAL 3.78 2.74 1 14 ARG 4.99 3.20 1 15 GLN 4.34 3.66 1 16 LEU 2.65 2.54 1 17 TYR 3.58 4.06 1 18 GLU -0.31 -0.34 1 19 ILE 4.35 4.71 1 20 ASN -1.01 -0.69 1 21 ASP -0.29 -1.21 1 24 LYS 3.14 2.03 1 25 ARG 3.18 2.86 1 26 LYS 4.42 3.75 1 27 GLU 2.51 2.55 1 28 PHE 3.31 3.38 1 29 LEU 3.91 2.59 1 30 ASP 4.81 3.44 1 31 ASP 2.47 3.40 1 32 LEU 4.65 3.26 1 33 PHE 5.99 4.01 1 34 SER 4.45 3.62 1 35 PHE 4.14 3.76 1 36 MET 2.82 1.91 1 37 GLN 5.17 4.04 1 38 LYS 4.36 3.37 1 39 ARG 0.15 -0.24 1 41 THR -3.07 -2.74 1 43 ILE 2.84 0.57 1 44 ASN -0.96 -0.06 1 45 ARG -2.21 -0.87 1 46 LEU -1.19 -0.65 1 48 ILE -3.45 -2.20 1 49 MET -3.02 -0.35 1 50 ALA 3.51 1.29 1 51 LYS 3.35 1.53 1 52 SER -3.31 -1.20 1 53 VAL 1.03 0.56 1 54 LEU -1.19 -0.72 1 55 ASP 0.93 -1.33 1 56 LEU 1.49 2.34 1 57 TYR 2.43 1.76 1 58 GLU 2.02 1.42 1 59 LEU 4.53 3.59 1 60 TYR 4.78 4.69 1 61 ASN 4.23 2.95 1 62 LEU 1.39 2.75 1 63 VAL 6.16 4.16 1 64 ILE 5.81 2.96 1 65 ALA 2.64 1.96 1 66 ARG -0.03 -0.74 1 69 LEU 4.86 4.18 1 70 VAL 8.05 6.05 1 71 ASP 4.56 3.32 1 72 VAL 7.95 5.12 1 73 ILE 4.00 4.04 1 74 ASN 3.57 2.87 1 75 LYS 1.53 0.61 1 77 LEU -1.21 -0.93 1 78 TRP 3.66 3.29 1 79 GLN 5.92 3.96 1 80 GLU 2.97 2.30 1 81 ILE 4.49 2.28 1 82 ILE 5.33 5.43 1 83 LYS 3.47 2.87 1 85 LEU -0.91 -0.51 1 86 HIS 4.15 0.93 1 87 LEU 0.23 0.02 1 89 SER 1.84 1.52 1 90 SER 0.51 -0.07 1 91 ILE 1.25 -0.06 1 92 THR 2.21 1.71 1 93 SER 0.85 -0.24 1 94 ALA 3.83 3.34 1 95 ALA 4.52 3.26 1 96 PHE 3.68 3.04 1 97 THR 6.03 4.89 1 98 LEU 3.33 3.09 1 99 ARG 5.34 4.45 1 100 THR 5.71 4.89 1 101 GLN 3.87 2.36 1 102 TYR 4.36 4.65 1 103 MET 4.57 5.26 1 104 LYS 2.27 2.83 1 105 TYR -0.02 2.51 1 106 LEU -2.18 -0.05 1 107 TYR 7.88 7.25 1 109 TYR 4.35 4.19 1 110 GLU 3.37 3.98 1 112 GLU 2.50 2.09 1 113 LYS 0.81 -0.11 1 114 LYS -2.38 -1.32 1 115 ASN 3.04 1.44 1 116 LEU 1.75 1.58 1 117 SER -2.72 -1.12 1 120 ALA 3.44 2.76 1 121 GLU 2.24 2.34 1 122 LEU 5.42 3.26 1 123 GLN 4.24 2.99 1 124 ALA 3.11 2.17 1 125 ALA 2.66 2.17 1 126 ILE 3.91 3.50 1 127 ASP 2.37 2.15 1 129 ASN 0.49 0.81 1 130 ARG 1.04 0.85 1 131 ARG 0.87 0.68 1 132 GLU 0.06 0.42 1 134 ARG 0.21 0.14 1 135 ARG 0.13 0.26 1 136 SER -0.28 0.10 1 137 SER -0.08 0.18 1 138 TYR -0.28 -0.05 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr4334_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -3.45 _LACS_plot.Line_1_terminator_val_y_1 1.99 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.33 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.50 _LACS_plot.Line_2_terminator_val_x_2 8.05 _LACS_plot.Line_2_terminator_val_y_2 -1.75 _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 76 LYS 5.70 -4.38 0 10 PHE 2.87 -0.83 1 11 LYS 3.74 -0.54 1 12 GLN 3.11 -0.29 1 13 VAL 3.78 -1.04 1 14 ARG 4.99 -1.79 1 15 GLN 4.34 -0.68 1 16 LEU 2.65 -0.11 1 17 TYR 3.58 0.48 1 18 GLU -0.31 -0.03 1 19 ILE 4.35 0.36 1 20 ASN -1.01 0.32 1 21 ASP -0.29 -0.92 1 24 LYS 3.14 -1.11 1 25 ARG 3.18 -0.32 1 26 LYS 4.42 -0.67 1 27 GLU 2.51 0.04 1 28 PHE 3.31 0.07 1 29 LEU 3.91 -1.32 1 30 ASP 4.81 -1.37 1 31 ASP 2.47 0.93 1 32 LEU 4.65 -1.39 1 33 PHE 5.99 -1.98 1 34 SER 4.45 -0.83 1 35 PHE 4.14 -0.38 1 36 MET 2.82 -0.91 1 37 GLN 5.17 -1.13 1 38 LYS 4.36 -0.99 1 39 ARG 0.15 -0.39 1 41 THR -3.07 0.33 1 43 ILE 2.84 -2.27 1 44 ASN -0.96 0.90 1 45 ARG -2.21 1.34 1 46 LEU -1.19 0.54 1 48 ILE -3.45 1.25 1 49 MET -3.02 2.67 1 50 ALA 3.51 -2.22 1 51 LYS 3.35 -1.82 1 52 SER -3.31 2.11 1 53 VAL 1.03 -0.47 1 54 LEU -1.19 0.47 1 55 ASP 0.93 -2.26 1 56 LEU 1.49 0.85 1 57 TYR 2.43 -0.67 1 58 GLU 2.02 -0.60 1 59 LEU 4.53 -0.94 1 60 TYR 4.78 -0.09 1 61 ASN 4.23 -1.28 1 62 LEU 1.39 1.36 1 63 VAL 6.16 -2.00 1 64 ILE 5.81 -2.85 1 65 ALA 2.64 -0.68 1 66 ARG -0.03 -0.71 1 69 LEU 4.86 -0.68 1 70 VAL 8.05 -2.00 1 71 ASP 4.56 -1.24 1 72 VAL 7.95 -2.83 1 73 ILE 4.00 0.04 1 74 ASN 3.57 -0.70 1 75 LYS 1.53 -0.92 1 77 LEU -1.21 0.28 1 78 TRP 3.66 -0.37 1 79 GLN 5.92 -1.96 1 80 GLU 2.97 -0.67 1 81 ILE 4.49 -2.21 1 82 ILE 5.33 0.10 1 83 LYS 3.47 -0.60 1 85 LEU -0.91 0.40 1 86 HIS 4.15 -3.22 1 87 LEU 0.23 -0.21 1 89 SER 1.84 -0.32 1 90 SER 0.51 -0.58 1 91 ILE 1.25 -1.31 1 92 THR 2.21 -0.50 1 93 SER 0.85 -1.09 1 94 ALA 3.83 -0.49 1 95 ALA 4.52 -1.26 1 96 PHE 3.68 -0.64 1 97 THR 6.03 -1.14 1 98 LEU 3.33 -0.24 1 99 ARG 5.34 -0.89 1 100 THR 5.71 -0.82 1 101 GLN 3.87 -1.51 1 102 TYR 4.36 0.29 1 103 MET 4.57 0.69 1 104 LYS 2.27 0.56 1 105 TYR -0.02 2.53 1 106 LEU -2.18 2.13 1 107 TYR 7.88 -0.63 1 109 TYR 4.35 -0.16 1 110 GLU 3.37 0.61 1 112 GLU 2.50 -0.41 1 113 LYS 0.81 -0.92 1 114 LYS -2.38 1.06 1 115 ASN 3.04 -1.60 1 116 LEU 1.75 -0.17 1 117 SER -2.72 1.60 1 120 ALA 3.44 -0.68 1 121 GLU 2.24 0.10 1 122 LEU 5.42 -2.16 1 123 GLN 4.24 -1.25 1 124 ALA 3.11 -0.94 1 125 ALA 2.66 -0.49 1 126 ILE 3.91 -0.41 1 127 ASP 2.37 -0.22 1 129 ASN 0.49 0.32 1 130 ARG 1.04 -0.19 1 131 ARG 0.87 -0.19 1 132 GLU 0.06 0.36 1 134 ARG 0.21 -0.07 1 135 ARG 0.13 0.13 1 136 SER -0.28 0.38 1 137 SER -0.08 0.26 1 138 TYR -0.28 0.23 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr4334_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -3.45 _LACS_plot.Line_1_terminator_val_y_1 0.24 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.23 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.14 _LACS_plot.Line_2_terminator_val_x_2 8.05 _LACS_plot.Line_2_terminator_val_y_2 -0.82 _LACS_plot.Y_axis_chem_shift_offset 0.05 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 25 ARG 3.18 -1.87 0 10 PHE 2.87 -0.36 1 11 LYS 3.74 -0.44 1 12 GLN 3.11 -0.17 1 13 VAL 3.78 -0.21 1 14 ARG 4.99 -0.49 1 15 GLN 4.34 -0.34 1 16 LEU 2.65 -0.22 1 17 TYR 3.58 -0.65 1 18 GLU -0.31 0.00 1 19 ILE 4.35 -0.57 1 20 ASN -1.01 -0.27 1 21 ASP -0.29 0.16 1 24 LYS 3.14 -0.20 1 26 LYS 4.42 -0.41 1 27 GLU 2.51 -0.29 1 28 PHE 3.31 -0.40 1 29 LEU 3.91 -1.05 1 30 ASP 4.81 -0.29 1 31 ASP 2.47 -0.16 1 32 LEU 4.65 -0.84 1 33 PHE 5.99 -0.42 1 34 SER 4.45 -0.17 1 35 PHE 4.14 -0.39 1 36 MET 2.82 -0.58 1 37 GLN 5.17 -0.52 1 38 LYS 4.36 -0.37 1 39 ARG 0.15 -0.12 1 41 THR -3.07 0.10 1 43 ILE 2.84 -0.09 1 44 ASN -0.96 0.03 1 45 ARG -2.21 0.11 1 46 LEU -1.19 -0.27 1 48 ILE -3.45 0.28 1 49 MET -3.02 0.10 1 50 ALA 3.51 -0.34 1 51 LYS 3.35 -0.47 1 52 SER -3.31 0.37 1 53 VAL 1.03 -0.04 1 54 LEU -1.19 -0.18 1 55 ASP 0.93 -0.22 1 56 LEU 1.49 -0.48 1 57 TYR 2.43 -0.61 1 58 GLU 2.02 -0.49 1 59 LEU 4.53 -0.35 1 60 TYR 4.78 -0.23 1 61 ASN 4.23 -0.77 1 62 LEU 1.39 -0.54 1 63 VAL 6.16 -0.85 1 64 ILE 5.81 -0.74 1 65 ALA 2.64 -0.26 1 66 ARG -0.03 -0.20 1 69 LEU 4.86 -1.20 1 70 VAL 8.05 -0.97 1 71 ASP 4.56 -0.32 1 72 VAL 7.95 -1.14 1 73 ILE 4.00 -0.52 1 74 ASN 3.57 -0.27 1 75 LYS 1.53 -0.13 1 76 LYS 5.70 -0.40 1 77 LEU -1.21 0.37 1 78 TRP 3.66 -0.49 1 79 GLN 5.92 -0.25 1 80 GLU 2.97 -0.35 1 81 ILE 4.49 -0.59 1 82 ILE 5.33 -0.83 1 83 LYS 3.47 -0.18 1 85 LEU -0.91 -0.10 1 86 HIS 4.15 -0.45 1 87 LEU 0.23 -0.14 1 89 SER 1.84 -0.23 1 90 SER 0.51 -0.18 1 91 ILE 1.25 0.07 1 92 THR 2.21 -0.13 1 93 SER 0.85 -0.04 1 94 ALA 3.83 -0.50 1 95 ALA 4.52 -1.08 1 96 PHE 3.68 -0.72 1 97 THR 6.03 -0.64 1 98 LEU 3.33 -0.61 1 99 ARG 5.34 -0.74 1 100 THR 5.71 -0.53 1 101 GLN 3.87 0.16 1 102 TYR 4.36 -0.61 1 103 MET 4.57 -0.51 1 104 LYS 2.27 -0.35 1 105 TYR -0.02 0.02 1 106 LEU -2.18 0.41 1 107 TYR 7.88 -0.92 1 109 TYR 4.35 -1.40 1 110 GLU 3.37 -0.25 1 112 GLU 2.50 -0.36 1 113 LYS 0.81 -0.31 1 114 LYS -2.38 0.20 1 115 ASN 3.04 -0.16 1 116 LEU 1.75 -0.11 1 117 SER -2.72 0.40 1 120 ALA 3.44 -0.10 1 121 GLU 2.24 -0.27 1 122 LEU 5.42 -0.28 1 123 GLN 4.24 -0.54 1 124 ALA 3.11 -0.12 1 125 ALA 2.66 -0.05 1 126 ILE 3.91 -0.43 1 127 ASP 2.37 -0.13 1 129 ASN 0.49 -0.01 1 130 ARG 1.04 -0.06 1 131 ARG 0.87 -0.07 1 132 GLU 0.06 -0.09 1 134 ARG 0.21 -0.01 1 135 ARG 0.13 -0.01 1 136 SER -0.28 -0.03 1 137 SER -0.08 -0.10 1 138 TYR -0.28 0.03 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr4334_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -3.45 _LACS_plot.Line_1_terminator_val_y_1 -1.54 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.79 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.75 _LACS_plot.Line_2_terminator_val_x_2 8.05 _LACS_plot.Line_2_terminator_val_y_2 3.00 _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 107 TYR 7.88 0.94 0 70 VAL 8.05 0.63 0 10 PHE 2.87 1.25 1 11 LYS 3.74 2.11 1 12 GLN 3.11 1.65 1 13 VAL 3.78 1.25 1 14 ARG 4.99 1.79 1 15 GLN 4.34 2.89 1 16 LEU 2.65 1.00 1 17 TYR 3.58 1.36 1 18 GLU -0.31 0.62 1 19 ILE 4.35 0.32 1 20 ASN -1.01 -1.14 1 21 ASP -0.29 -0.03 1 24 LYS 3.14 2.36 1 25 ARG 3.18 0.53 1 26 LYS 4.42 0.77 1 27 GLU 2.51 2.64 1 28 PHE 3.31 -0.06 1 29 LEU 3.91 0.72 1 30 ASP 4.81 3.11 1 31 ASP 2.47 1.38 1 32 LEU 4.65 1.62 1 33 PHE 5.99 4.55 1 34 SER 4.45 1.80 1 35 PHE 4.14 2.23 1 36 MET 2.82 1.42 1 37 GLN 5.17 3.94 1 38 LYS 4.36 1.54 1 39 ARG 0.15 -0.20 1 43 ILE 2.84 -1.65 1 44 ASN -0.96 -0.99 1 45 ARG -2.21 -1.20 1 46 LEU -1.19 -1.09 1 48 ILE -3.45 -0.30 1 49 MET -3.02 -1.55 1 50 ALA 3.51 -1.49 1 51 LYS 3.35 -0.95 1 52 SER -3.31 -1.53 1 53 VAL 1.03 -0.53 1 54 LEU -1.19 -1.79 1 55 ASP 0.93 0.10 1 56 LEU 1.49 -0.16 1 57 TYR 2.43 -0.62 1 58 GLU 2.02 1.85 1 59 LEU 4.53 -0.99 1 60 TYR 4.78 0.67 1 61 ASN 4.23 3.88 1 62 LEU 1.39 1.84 1 63 VAL 6.16 3.50 1 64 ILE 5.81 3.96 1 65 ALA 2.64 1.06 1 66 ARG -0.03 -1.71 1 69 LEU 4.86 -0.77 1 71 ASP 4.56 2.10 1 72 VAL 7.95 1.36 1 73 ILE 4.00 3.89 1 74 ASN 3.57 2.97 1 75 LYS 1.53 -1.73 1 76 LYS 5.70 1.11 1 77 LEU -1.21 0.54 1 78 TRP 3.66 2.76 1 79 GLN 5.92 2.79 1 80 GLU 2.97 3.03 1 81 ILE 4.49 0.40 1 82 ILE 5.33 1.86 1 83 LYS 3.47 4.28 1 85 LEU -0.91 -1.20 1 86 HIS 4.15 0.65 1 87 LEU 0.23 -0.63 1 89 SER 1.84 0.06 1 90 SER 0.51 0.35 1 91 ILE 1.25 0.07 1 92 THR 2.21 0.64 1 93 SER 0.85 1.02 1 94 ALA 3.83 0.53 1 95 ALA 4.52 0.82 1 96 PHE 3.68 2.53 1 97 THR 6.03 1.53 1 98 LEU 3.33 0.50 1 99 ARG 5.34 1.76 1 100 THR 5.71 2.82 1 101 GLN 3.87 2.89 1 102 TYR 4.36 3.94 1 103 MET 4.57 -0.06 1 104 LYS 2.27 0.92 1 105 TYR -0.02 0.53 1 106 LEU -2.18 -0.91 1 109 TYR 4.35 0.29 1 110 GLU 3.37 3.17 1 112 GLU 2.50 1.33 1 113 LYS 0.81 2.12 1 114 LYS -2.38 -0.06 1 115 ASN 3.04 -0.66 1 116 LEU 1.75 -0.07 1 117 SER -2.72 -2.04 1 120 ALA 3.44 3.45 1 121 GLU 2.24 3.30 1 122 LEU 5.42 0.16 1 123 GLN 4.24 2.02 1 124 ALA 3.11 2.35 1 125 ALA 2.66 2.54 1 126 ILE 3.91 1.88 1 127 ASP 2.37 1.88 1 129 ASN 0.49 0.31 1 130 ARG 1.04 0.36 1 131 ARG 0.87 0.24 1 132 GLU 0.06 0.43 1 134 ARG 0.21 0.20 1 135 ARG 0.13 0.16 1 136 SER -0.28 -0.04 1 137 SER -0.08 -0.66 1 138 TYR -0.28 -0.67 1 stop_ save_