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 bmr34180_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -3.62 _LACS_plot.Line_1_terminator_val_y_1 -1.59 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 1.23 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.21 _LACS_plot.Line_2_terminator_val_x_2 8.66 _LACS_plot.Line_2_terminator_val_y_2 6.51 _LACS_plot.Y_axis_chem_shift_offset -0.23 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 132 PHE -3.62 -0.86 0 25 LEU -0.85 -2.59 0 67 ARG -0.40 -2.44 0 10 MET 3.66 1.69 1 11 ASP 4.18 3.95 1 12 SER 4.23 3.10 1 13 ARG 4.20 3.61 1 14 LEU 4.79 2.82 1 15 GLN 4.92 3.77 1 16 ARG 5.53 3.56 1 17 ILE 4.70 4.53 1 18 HIS 2.41 2.99 1 19 ALA 4.11 2.65 1 20 GLU 1.63 2.43 1 21 ILE 5.45 5.23 1 22 LYS 5.22 3.58 1 23 ASN 2.72 2.65 1 24 SER 4.31 3.38 1 26 LYS 0.88 0.71 1 27 ILE 3.29 3.44 1 28 ASP 1.31 0.46 1 29 ASN -0.52 -0.04 1 30 LEU 0.24 0.93 1 31 ASP -1.81 -2.05 1 32 VAL 5.16 4.33 1 33 ASN 4.83 3.50 1 34 ARG 2.70 2.72 1 36 ILE 6.77 5.87 1 37 GLU 3.77 3.25 1 38 ALA 3.44 2.77 1 39 LEU 3.90 2.66 1 40 ASP 5.00 3.03 1 41 GLU 4.38 3.01 1 42 LEU 4.22 2.78 1 43 ALA 2.18 1.73 1 44 SER 0.39 0.99 1 45 LEU -1.27 -0.58 1 46 GLN 1.14 -0.85 1 47 VAL -1.79 -0.87 1 48 THR -3.42 -1.70 1 49 MET 4.38 3.86 1 50 GLN 5.20 3.76 1 51 GLN 3.26 2.51 1 52 ALA 3.43 2.85 1 53 GLN 3.50 2.79 1 54 LYS 1.05 0.64 1 55 HIS -0.53 0.63 1 56 THR 5.74 4.05 1 57 GLU 4.76 3.10 1 58 MET 2.98 2.57 1 59 ILE 6.68 4.39 1 60 THR 6.94 5.22 1 61 THR 8.66 5.66 1 62 LEU 3.01 2.84 1 64 LYS 3.41 2.83 1 65 ILE 5.16 3.12 1 66 ARG 2.67 2.63 1 68 PHE -0.54 -1.65 1 69 LYS 2.19 1.47 1 70 VAL 1.93 1.03 1 71 SER -3.04 -2.55 1 72 GLN 4.59 3.32 1 73 VAL 4.77 3.85 1 74 ILE 6.19 5.11 1 75 MET 4.98 5.88 1 76 GLU 3.41 3.34 1 77 LYS 2.96 4.15 1 78 SER 5.38 4.32 1 79 THR 7.95 6.76 1 80 MET 4.98 4.01 1 81 LEU 1.32 2.77 1 82 TYR 4.93 4.95 1 83 ASN 4.06 2.65 1 84 LYS 4.44 3.46 1 85 PHE 4.81 3.75 1 86 LYS 4.53 3.45 1 87 ASN 3.25 2.56 1 88 MET 2.81 3.26 1 89 PHE 1.61 1.91 1 90 LEU 1.31 0.72 1 91 VAL 1.12 0.74 1 93 GLU -0.69 -0.13 1 95 ASP 0.06 0.19 1 96 SER 0.34 0.26 1 97 VAL 1.27 0.71 1 98 ILE 0.93 0.42 1 99 THR 0.94 0.60 1 100 GLN 0.31 0.45 1 101 VAL 1.09 0.62 1 102 LEU 0.64 0.37 1 104 LYS 0.13 -0.03 1 105 ARG 0.08 -0.02 1 107 ARG 2.02 1.02 1 108 SER 0.09 0.03 1 109 SER -0.29 0.04 1 111 GLU 0.46 0.79 1 112 GLU -0.86 -0.22 1 113 THR -0.04 0.01 1 114 ILE -0.41 -0.39 1 115 GLU -0.09 0.23 1 117 GLU 1.17 1.03 1 118 SER 0.89 0.72 1 119 LEU 2.36 1.50 1 120 HIS 3.05 4.21 1 121 GLN 2.95 2.00 1 122 LEU 2.63 2.06 1 123 PHE -0.16 -0.46 1 124 GLU -0.44 0.07 1 126 GLU -1.01 -0.18 1 129 THR 0.12 0.08 1 130 GLU -0.35 0.27 1 131 SER -0.19 0.74 1 133 TYR -0.02 0.21 1 135 PHE 0.12 1.33 1 136 GLU -1.55 -0.52 1 137 GLU 0.01 0.54 1 138 ALA -0.82 -0.34 1 139 ASP 0.64 1.86 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr34180_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -3.62 _LACS_plot.Line_1_terminator_val_y_1 2.03 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -0.76 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.79 _LACS_plot.Line_2_terminator_val_x_2 8.66 _LACS_plot.Line_2_terminator_val_y_2 -2.15 _LACS_plot.Y_axis_chem_shift_offset -0.23 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 132 PHE -3.62 2.76 0 25 LEU -0.85 -1.74 0 67 ARG -0.40 -2.04 0 10 MET 3.66 -1.97 1 11 ASP 4.18 -0.23 1 12 SER 4.23 -1.13 1 13 ARG 4.20 -0.59 1 14 LEU 4.79 -1.97 1 15 GLN 4.92 -1.15 1 16 ARG 5.53 -1.97 1 17 ILE 4.70 -0.17 1 18 HIS 2.41 0.58 1 19 ALA 4.11 -1.46 1 20 GLU 1.63 0.80 1 21 ILE 5.45 -0.22 1 22 LYS 5.22 -1.64 1 23 ASN 2.72 -0.07 1 24 SER 4.31 -0.93 1 26 LYS 0.88 -0.17 1 27 ILE 3.29 0.15 1 28 ASP 1.31 -0.85 1 29 ASN -0.52 0.48 1 30 LEU 0.24 0.69 1 31 ASP -1.81 -0.24 1 32 VAL 5.16 -0.83 1 33 ASN 4.83 -1.33 1 34 ARG 2.70 0.02 1 36 ILE 6.77 -0.90 1 37 GLU 3.77 -0.52 1 38 ALA 3.44 -0.67 1 39 LEU 3.90 -1.24 1 40 ASP 5.00 -1.97 1 41 GLU 4.38 -1.37 1 42 LEU 4.22 -1.44 1 43 ALA 2.18 -0.45 1 44 SER 0.39 0.60 1 45 LEU -1.27 0.69 1 46 GLN 1.14 -1.99 1 47 VAL -1.79 0.92 1 48 THR -3.42 1.72 1 49 MET 4.38 -0.52 1 50 GLN 5.20 -1.44 1 51 GLN 3.26 -0.75 1 52 ALA 3.43 -0.58 1 53 GLN 3.50 -0.71 1 54 LYS 1.05 -0.41 1 55 HIS -0.53 1.16 1 56 THR 5.74 -1.69 1 57 GLU 4.76 -1.66 1 58 MET 2.98 -0.41 1 59 ILE 6.68 -2.29 1 60 THR 6.94 -1.72 1 61 THR 8.66 -3.00 1 62 LEU 3.01 -0.17 1 64 LYS 3.41 -0.58 1 65 ILE 5.16 -2.04 1 66 ARG 2.67 -0.04 1 68 PHE -0.54 -1.11 1 69 LYS 2.19 -0.72 1 70 VAL 1.93 -0.90 1 71 SER -3.04 0.49 1 72 GLN 4.59 -1.27 1 73 VAL 4.77 -0.92 1 74 ILE 6.19 -1.08 1 75 MET 4.98 0.90 1 76 GLU 3.41 -0.07 1 77 LYS 2.96 1.19 1 78 SER 5.38 -1.06 1 79 THR 7.95 -1.19 1 80 MET 4.98 -0.97 1 81 LEU 1.32 1.45 1 82 TYR 4.93 0.02 1 83 ASN 4.06 -1.41 1 84 LYS 4.44 -0.98 1 85 PHE 4.81 -1.06 1 86 LYS 4.53 -1.08 1 87 ASN 3.25 -0.69 1 88 MET 2.81 0.45 1 89 PHE 1.61 0.30 1 90 LEU 1.31 -0.59 1 91 VAL 1.12 -0.38 1 93 GLU -0.69 0.56 1 95 ASP 0.06 0.13 1 96 SER 0.34 -0.08 1 97 VAL 1.27 -0.56 1 98 ILE 0.93 -0.51 1 99 THR 0.94 -0.34 1 100 GLN 0.31 0.14 1 101 VAL 1.09 -0.47 1 102 LEU 0.64 -0.27 1 104 LYS 0.13 -0.16 1 105 ARG 0.08 -0.10 1 107 ARG 2.02 -1.00 1 108 SER 0.09 -0.06 1 109 SER -0.29 0.33 1 111 GLU 0.46 0.33 1 112 GLU -0.86 0.64 1 113 THR -0.04 0.05 1 114 ILE -0.41 0.02 1 115 GLU -0.09 0.32 1 117 GLU 1.17 -0.14 1 118 SER 0.89 -0.17 1 119 LEU 2.36 -0.86 1 120 HIS 3.05 1.16 1 121 GLN 2.95 -0.95 1 122 LEU 2.63 -0.57 1 123 PHE -0.16 -0.30 1 124 GLU -0.44 0.51 1 126 GLU -1.01 0.83 1 129 THR 0.12 -0.04 1 130 GLU -0.35 0.62 1 131 SER -0.19 0.93 1 133 TYR -0.02 0.23 1 135 PHE 0.12 1.21 1 136 GLU -1.55 1.03 1 137 GLU 0.01 0.53 1 138 ALA -0.82 0.48 1 139 ASP 0.64 1.22 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr34180_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -3.62 _LACS_plot.Line_1_terminator_val_y_1 0.26 _LACS_plot.Line_1_terminator_val_x_2 1.99 _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 0.13 _LACS_plot.Line_2_terminator_val_x_2 8.66 _LACS_plot.Line_2_terminator_val_y_2 -0.74 _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 58 MET 2.98 -1.45 0 10 MET 3.66 -0.12 1 11 ASP 4.18 -0.23 1 12 SER 4.23 -0.28 1 13 ARG 4.20 -0.32 1 14 LEU 4.79 -0.53 1 15 GLN 4.92 -0.12 1 16 ARG 5.53 -0.22 1 17 ILE 4.70 -0.60 1 18 HIS 2.41 -0.49 1 19 ALA 4.11 -0.56 1 20 GLU 1.63 -0.40 1 21 ILE 5.45 -0.64 1 22 LYS 5.22 -0.78 1 23 ASN 2.72 -0.39 1 24 SER 4.31 -0.15 1 25 LEU -0.85 0.37 1 26 LYS 0.88 0.21 1 27 ILE 3.29 -0.46 1 28 ASP 1.31 -0.12 1 29 ASN -0.52 0.09 1 30 LEU 0.24 -0.04 1 31 ASP -1.81 0.20 1 32 VAL 5.16 -0.59 1 33 ASN 4.83 -0.30 1 34 ARG 2.70 -0.25 1 36 ILE 6.77 -0.84 1 37 GLU 3.77 -0.28 1 38 ALA 3.44 0.06 1 39 LEU 3.90 -0.44 1 40 ASP 5.00 -0.20 1 41 GLU 4.38 -0.36 1 42 LEU 4.22 -0.36 1 43 ALA 2.18 -0.32 1 44 SER 0.39 -0.06 1 45 LEU -1.27 0.03 1 46 GLN 1.14 0.08 1 47 VAL -1.79 0.31 1 48 THR -3.42 0.20 1 49 MET 4.38 -0.55 1 50 GLN 5.20 -0.34 1 51 GLN 3.26 -0.21 1 52 ALA 3.43 -0.54 1 53 GLN 3.50 -0.44 1 54 LYS 1.05 -0.09 1 55 HIS -0.53 0.12 1 56 THR 5.74 -0.68 1 57 GLU 4.76 -0.34 1 59 ILE 6.68 -0.72 1 60 THR 6.94 -0.57 1 61 THR 8.66 -0.55 1 62 LEU 3.01 -0.46 1 64 LYS 3.41 -0.53 1 65 ILE 5.16 -0.45 1 66 ARG 2.67 -0.11 1 67 ARG -0.40 0.12 1 68 PHE -0.54 0.76 1 69 LYS 2.19 -0.21 1 70 VAL 1.93 -0.59 1 71 SER -3.04 0.42 1 72 GLN 4.59 -0.26 1 73 VAL 4.77 -0.23 1 74 ILE 6.19 -0.66 1 75 MET 4.98 -0.42 1 76 GLU 3.41 -0.27 1 77 LYS 2.96 -0.15 1 78 SER 5.38 -0.43 1 79 THR 7.95 -0.58 1 80 MET 4.98 -0.31 1 81 LEU 1.32 -0.38 1 82 TYR 4.93 -0.46 1 83 ASN 4.06 -0.56 1 84 LYS 4.44 -0.39 1 85 PHE 4.81 -0.25 1 86 LYS 4.53 -0.14 1 87 ASN 3.25 -0.41 1 88 MET 2.81 -0.48 1 89 PHE 1.61 -0.24 1 90 LEU 1.31 -0.04 1 91 VAL 1.12 -0.07 1 93 GLU -0.69 -0.06 1 95 ASP 0.06 -0.03 1 96 SER 0.34 -0.04 1 97 VAL 1.27 -0.04 1 98 ILE 0.93 -0.01 1 99 THR 0.94 -0.10 1 100 GLN 0.31 -0.03 1 101 VAL 1.09 -0.10 1 102 LEU 0.64 -0.04 1 104 LYS 0.13 -0.06 1 105 ARG 0.08 -0.07 1 107 ARG 2.02 -0.13 1 108 SER 0.09 -0.03 1 109 SER -0.29 0.03 1 111 GLU 0.46 -0.16 1 112 GLU -0.86 -0.04 1 113 THR -0.04 -0.03 1 114 ILE -0.41 0.00 1 115 GLU -0.09 -0.06 1 117 GLU 1.17 -0.19 1 118 SER 0.89 -0.09 1 119 LEU 2.36 -0.30 1 120 HIS 3.05 -0.47 1 121 GLN 2.95 -0.32 1 122 LEU 2.63 -0.46 1 123 PHE -0.16 0.31 1 124 GLU -0.44 -0.01 1 126 GLU -1.01 -0.03 1 130 GLU -0.35 -0.05 1 131 SER -0.19 0.02 1 132 PHE -3.62 0.05 1 133 TYR -0.02 -0.12 1 135 PHE 0.12 0.05 1 136 GLU -1.55 0.09 1 137 GLU 0.01 -0.14 1 138 ALA -0.82 0.01 1 139 ASP 0.64 -0.31 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr34180_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -3.62 _LACS_plot.Line_1_terminator_val_y_1 -1.74 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 0.75 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.79 _LACS_plot.Line_2_terminator_val_x_2 8.66 _LACS_plot.Line_2_terminator_val_y_2 3.17 _LACS_plot.Y_axis_chem_shift_offset 0.09 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 131 SER -0.19 5.43 0 41 GLU 4.38 -4.67 0 10 MET 3.66 1.47 1 11 ASP 4.18 1.79 1 12 SER 4.23 2.61 1 13 ARG 4.20 2.12 1 14 LEU 4.79 1.94 1 15 GLN 4.92 3.08 1 16 ARG 5.53 2.33 1 17 ILE 4.70 1.12 1 18 HIS 2.41 2.29 1 19 ALA 4.11 2.07 1 20 GLU 1.63 3.33 1 21 ILE 5.45 0.59 1 22 LYS 5.22 2.19 1 23 ASN 2.72 3.09 1 24 SER 4.31 -0.93 1 25 LEU -0.85 -2.04 1 26 LYS 0.88 1.46 1 27 ILE 3.29 -0.58 1 28 ASP 1.31 -0.59 1 29 ASN -0.52 -2.14 1 30 LEU 0.24 0.26 1 31 ASP -1.81 -0.70 1 32 VAL 5.16 1.52 1 33 ASN 4.83 2.39 1 34 ARG 2.70 2.18 1 36 ILE 6.77 0.48 1 37 GLU 3.77 3.12 1 38 ALA 3.44 1.66 1 39 LEU 3.90 2.29 1 40 ASP 5.00 3.15 1 42 LEU 4.22 1.13 1 43 ALA 2.18 -0.03 1 44 SER 0.39 -0.48 1 45 LEU -1.27 -0.66 1 46 GLN 1.14 -1.63 1 47 VAL -1.79 -0.27 1 48 THR -3.42 0.93 1 49 MET 4.38 1.26 1 50 GLN 5.20 3.07 1 51 GLN 3.26 2.66 1 52 ALA 3.43 0.84 1 53 GLN 3.50 0.75 1 54 LYS 1.05 -0.10 1 55 HIS -0.53 1.99 1 56 THR 5.74 2.77 1 57 GLU 4.76 1.70 1 58 MET 2.98 1.08 1 59 ILE 6.68 0.91 1 60 THR 6.94 1.81 1 61 THR 8.66 1.18 1 62 LEU 3.01 -0.62 1 64 LYS 3.41 2.21 1 65 ILE 5.16 -0.55 1 66 ARG 2.67 0.47 1 67 ARG -0.40 0.16 1 68 PHE -0.54 -3.00 1 69 LYS 2.19 -0.26 1 70 VAL 1.93 -0.88 1 72 GLN 4.59 1.72 1 73 VAL 4.77 1.95 1 74 ILE 6.19 3.13 1 75 MET 4.98 2.54 1 76 GLU 3.41 3.30 1 77 LYS 2.96 3.19 1 78 SER 5.38 2.03 1 79 THR 7.95 0.65 1 80 MET 4.98 3.30 1 81 LEU 1.32 -0.05 1 82 TYR 4.93 0.63 1 83 ASN 4.06 2.07 1 84 LYS 4.44 2.92 1 85 PHE 4.81 1.22 1 86 LYS 4.53 1.58 1 87 ASN 3.25 1.91 1 88 MET 2.81 0.65 1 89 PHE 1.61 0.53 1 90 LEU 1.31 0.06 1 91 VAL 1.12 0.57 1 93 GLU -0.69 0.41 1 95 ASP 0.06 0.15 1 96 SER 0.34 0.05 1 97 VAL 1.27 0.20 1 98 ILE 0.93 0.13 1 99 THR 0.94 -0.08 1 100 GLN 0.31 -0.01 1 101 VAL 1.09 -0.02 1 102 LEU 0.64 -0.56 1 105 ARG 0.08 -0.39 1 107 ARG 2.02 0.20 1 108 SER 0.09 -0.58 1 111 GLU 0.46 -0.15 1 112 GLU -0.86 -0.33 1 113 THR -0.04 -0.66 1 114 ILE -0.41 -0.81 1 115 GLU -0.09 -0.06 1 117 GLU 1.17 0.60 1 118 SER 0.89 1.09 1 119 LEU 2.36 0.03 1 120 HIS 3.05 3.24 1 121 GLN 2.95 1.61 1 122 LEU 2.63 0.41 1 123 PHE -0.16 0.09 1 124 GLU -0.44 0.47 1 126 GLU -1.01 0.38 1 129 THR 0.12 0.08 1 130 GLU -0.35 -0.25 1 132 PHE -3.62 -1.47 1 133 TYR -0.02 -2.28 1 135 PHE 0.12 0.46 1 136 GLU -1.55 -0.09 1 137 GLU 0.01 -0.60 1 138 ALA -0.82 -1.41 1 139 ASP 0.64 -3.80 1 stop_ save_