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 bmr18480_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -4.05 _LACS_plot.Line_1_terminator_val_y_1 -1.43 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.26 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.95 _LACS_plot.Line_2_terminator_val_x_2 8.65 _LACS_plot.Line_2_terminator_val_y_2 6.55 _LACS_plot.Y_axis_chem_shift_offset -0.41 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 10 TRP 0.29 -2.33 0 11 THR 4.12 3.93 1 12 ASN 0.83 0.83 1 15 LEU 2.86 2.78 1 16 ALA 3.44 3.48 1 17 GLU 3.63 2.45 1 18 ASN 3.77 2.99 1 19 PHE 4.07 4.20 1 20 MET 4.01 4.64 1 21 ASN 3.65 2.85 1 22 SER 4.94 3.85 1 23 PHE 5.77 4.42 1 24 MET 2.10 1.10 1 25 GLN 4.07 3.05 1 27 LEU 2.80 2.09 1 28 SER 3.73 3.14 1 29 SER -0.95 -0.39 1 30 MET 0.84 0.45 1 33 PHE -3.49 -0.80 1 34 THR -3.02 -1.85 1 35 ALA 4.05 3.02 1 36 SER 4.42 3.15 1 37 GLN 4.65 3.27 1 38 LEU 3.77 2.86 1 39 ASP 2.68 3.41 1 40 ASP 6.23 4.44 1 41 MET 3.69 5.11 1 42 SER 4.34 3.62 1 43 THR 5.52 5.22 1 44 ILE 5.55 2.96 1 45 ALA 4.68 4.04 1 46 GLN 4.25 3.25 1 47 SER 4.68 4.03 1 48 MET 3.60 2.80 1 49 VAL 6.86 5.72 1 50 GLN 4.71 3.32 1 51 SER 5.10 4.34 1 52 ILE 6.46 5.21 1 53 GLN 4.85 3.47 1 54 SER 3.91 2.98 1 55 LEU 2.67 2.88 1 56 ALA 3.71 2.57 1 57 ALA 3.57 2.50 1 58 GLN -1.77 -0.10 1 60 ARG -1.70 -0.19 1 61 THR 0.68 0.39 1 62 SER -0.75 -0.06 1 64 ASN 4.01 3.15 1 65 LYS 4.54 4.68 1 66 LEU 3.69 2.82 1 67 GLN 5.43 4.19 1 68 ALA 3.89 3.00 1 69 LEU 3.16 2.65 1 70 ASN 4.11 4.68 1 71 MET 4.12 1.01 1 72 ALA 2.81 2.63 1 73 PHE 3.67 3.37 1 74 ALA 3.54 3.32 1 75 SER 4.88 3.95 1 76 SER 5.19 4.77 1 77 MET 1.94 1.77 1 78 ALA 2.64 2.64 1 79 GLU 3.35 3.10 1 80 ILE 5.21 4.03 1 81 ALA 2.58 2.64 1 82 ALA -0.63 1.27 1 83 SER 0.32 1.47 1 84 GLU 1.36 0.00 1 85 GLU -0.66 0.24 1 89 SER 0.38 -0.94 1 90 LEU 4.28 3.24 1 91 SER 5.01 3.49 1 92 THR 6.48 4.92 1 93 LYS 3.82 4.45 1 94 THR 7.78 6.32 1 95 SER 4.59 3.46 1 96 SER 6.21 4.17 1 97 ILE 6.20 4.94 1 98 ALA 4.84 3.89 1 99 SER 4.17 3.57 1 100 ALA 3.36 2.89 1 101 MET 3.43 3.76 1 102 SER 6.28 5.12 1 103 ASN 4.13 3.54 1 104 ALA 3.70 2.77 1 105 PHE 6.45 6.42 1 106 LEU 4.89 3.95 1 107 GLN 2.01 1.89 1 108 THR 1.48 1.86 1 109 THR -0.93 -0.07 1 111 VAL -4.05 -1.44 1 112 VAL 1.62 1.53 1 113 ASN -1.37 -1.89 1 114 GLN 8.65 5.94 1 116 PHE 3.61 3.59 1 117 ILE 5.83 3.54 1 118 ASN 4.10 2.68 1 119 GLU 3.89 2.51 1 120 ILE 5.55 2.00 1 121 THR 6.48 4.97 1 122 GLN 4.04 3.07 1 123 LEU 4.27 2.72 1 124 VAL 6.56 5.27 1 125 SER 4.40 3.46 1 126 MET 3.48 3.85 1 127 PHE 1.60 -0.94 1 128 ALA 2.10 2.16 1 129 GLN 1.60 1.32 1 130 ALA 1.45 1.31 1 132 MET 0.94 0.98 1 133 ASN -0.09 0.39 1 134 ASP 0.13 0.20 1 135 VAL 0.12 -0.05 1 136 SER -0.18 0.05 1 137 ALA 0.25 1.45 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18480_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -4.05 _LACS_plot.Line_1_terminator_val_y_1 2.62 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.74 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 1.05 _LACS_plot.Line_2_terminator_val_x_2 8.65 _LACS_plot.Line_2_terminator_val_y_2 -2.10 _LACS_plot.Y_axis_chem_shift_offset -0.41 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 10 TRP 0.29 -2.62 0 11 THR 4.12 -0.19 1 12 ASN 0.83 0.00 1 15 LEU 2.86 -0.08 1 16 ALA 3.44 0.04 1 17 GLU 3.63 -1.18 1 18 ASN 3.77 -0.78 1 19 PHE 4.07 0.13 1 20 MET 4.01 0.63 1 21 ASN 3.65 -0.80 1 22 SER 4.94 -1.09 1 23 PHE 5.77 -1.35 1 24 MET 2.10 -1.00 1 25 GLN 4.07 -1.02 1 27 LEU 2.80 -0.71 1 28 SER 3.73 -0.59 1 29 SER -0.95 0.56 1 30 MET 0.84 -0.39 1 33 PHE -3.49 2.69 1 34 THR -3.02 1.17 1 35 ALA 4.05 -1.03 1 36 SER 4.42 -1.27 1 37 GLN 4.65 -1.38 1 38 LEU 3.77 -0.91 1 39 ASP 2.68 0.73 1 40 ASP 6.23 -1.79 1 41 MET 3.69 1.42 1 42 SER 4.34 -0.72 1 43 THR 5.52 -0.30 1 44 ILE 5.55 -2.59 1 45 ALA 4.68 -0.64 1 46 GLN 4.25 -1.00 1 47 SER 4.68 -0.65 1 48 MET 3.60 -0.80 1 49 VAL 6.86 -1.14 1 50 GLN 4.71 -1.39 1 51 SER 5.10 -0.76 1 52 ILE 6.46 -1.25 1 53 GLN 4.85 -1.38 1 54 SER 3.91 -0.93 1 55 LEU 2.67 0.21 1 56 ALA 3.71 -1.14 1 57 ALA 3.57 -1.07 1 58 GLN -1.77 1.67 1 60 ARG -1.70 1.51 1 61 THR 0.68 -0.29 1 62 SER -0.75 0.69 1 64 ASN 4.01 -0.86 1 65 LYS 4.54 0.14 1 66 LEU 3.69 -0.87 1 67 GLN 5.43 -1.24 1 68 ALA 3.89 -0.89 1 69 LEU 3.16 -0.51 1 70 ASN 4.11 0.57 1 71 MET 4.12 -3.11 1 72 ALA 2.81 -0.18 1 73 PHE 3.67 -0.30 1 74 ALA 3.54 -0.22 1 75 SER 4.88 -0.93 1 76 SER 5.19 -0.42 1 77 MET 1.94 -0.17 1 78 ALA 2.64 0.00 1 79 GLU 3.35 -0.25 1 80 ILE 5.21 -1.18 1 81 ALA 2.58 0.06 1 82 ALA -0.63 1.90 1 83 SER 0.32 1.15 1 84 GLU 1.36 -1.36 1 85 GLU -0.66 0.90 1 89 SER 0.38 -1.32 1 90 LEU 4.28 -1.04 1 91 SER 5.01 -1.52 1 92 THR 6.48 -1.56 1 93 LYS 3.82 0.63 1 94 THR 7.78 -1.46 1 95 SER 4.59 -1.13 1 96 SER 6.21 -2.04 1 97 ILE 6.20 -1.26 1 98 ALA 4.84 -0.95 1 99 SER 4.17 -0.60 1 100 ALA 3.36 -0.47 1 101 MET 3.43 0.33 1 102 SER 6.28 -1.16 1 103 ASN 4.13 -0.59 1 104 ALA 3.70 -0.93 1 105 PHE 6.45 -0.03 1 106 LEU 4.89 -0.94 1 107 GLN 2.01 -0.12 1 108 THR 1.48 0.38 1 109 THR -0.93 0.86 1 111 VAL -4.05 2.61 1 112 VAL 1.62 -0.09 1 113 ASN -1.37 -0.52 1 114 GLN 8.65 -2.71 1 116 PHE 3.61 -0.02 1 117 ILE 5.83 -2.29 1 118 ASN 4.10 -1.42 1 119 GLU 3.89 -1.38 1 120 ILE 5.55 -3.55 1 121 THR 6.48 -1.51 1 122 GLN 4.04 -0.97 1 123 LEU 4.27 -1.55 1 124 VAL 6.56 -1.29 1 125 SER 4.40 -0.94 1 126 MET 3.48 0.37 1 127 PHE 1.60 -2.54 1 128 ALA 2.10 0.06 1 129 GLN 1.60 -0.28 1 130 ALA 1.45 -0.14 1 132 MET 0.94 0.04 1 133 ASN -0.09 0.48 1 134 ASP 0.13 0.07 1 135 VAL 0.12 -0.17 1 136 SER -0.18 0.23 1 137 ALA 0.25 1.20 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18480_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -4.05 _LACS_plot.Line_1_terminator_val_y_1 0.31 _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 0.13 _LACS_plot.Line_2_terminator_val_x_2 8.65 _LACS_plot.Line_2_terminator_val_y_2 -0.72 _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 112 VAL 1.62 -0.89 0 74 ALA 3.54 -1.09 0 33 PHE -3.49 0.67 0 20 MET 4.01 -1.18 0 10 TRP 0.29 -0.07 1 11 THR 4.12 -0.45 1 12 ASN 0.83 -0.38 1 15 LEU 2.86 -0.31 1 16 ALA 3.44 -0.21 1 17 GLU 3.63 -0.53 1 18 ASN 3.77 -0.31 1 19 PHE 4.07 -0.67 1 21 ASN 3.65 -0.29 1 22 SER 4.94 -0.32 1 23 PHE 5.77 -0.75 1 24 MET 2.10 -0.30 1 25 GLN 4.07 -0.38 1 27 LEU 2.80 -0.62 1 28 SER 3.73 -0.41 1 29 SER -0.95 0.20 1 30 MET 0.84 0.14 1 34 THR -3.02 0.14 1 35 ALA 4.05 -0.24 1 36 SER 4.42 -0.23 1 37 GLN 4.65 -0.28 1 38 LEU 3.77 -0.45 1 39 ASP 2.68 -0.23 1 40 ASP 6.23 -0.42 1 41 MET 3.69 -0.84 1 42 SER 4.34 -0.30 1 43 THR 5.52 -0.44 1 44 ILE 5.55 -0.47 1 45 ALA 4.68 -0.28 1 46 GLN 4.25 -0.32 1 47 SER 4.68 -0.21 1 48 MET 3.60 -0.10 1 49 VAL 6.86 -0.68 1 50 GLN 4.71 -0.28 1 51 SER 5.10 -0.62 1 52 ILE 6.46 -0.79 1 53 GLN 4.85 -0.43 1 54 SER 3.91 -0.18 1 55 LEU 2.67 -0.36 1 56 ALA 3.71 -0.17 1 57 ALA 3.57 -0.16 1 58 GLN -1.77 0.02 1 60 ARG -1.70 0.26 1 61 THR 0.68 -0.23 1 62 SER -0.75 0.19 1 64 ASN 4.01 -0.34 1 65 LYS 4.54 -0.51 1 66 LEU 3.69 -0.32 1 67 GLN 5.43 -1.05 1 68 ALA 3.89 -0.51 1 69 LEU 3.16 -0.29 1 70 ASN 4.11 -0.35 1 71 MET 4.12 0.29 1 72 ALA 2.81 -0.08 1 73 PHE 3.67 -0.56 1 75 SER 4.88 -0.61 1 76 SER 5.19 -0.51 1 77 MET 1.94 -0.25 1 78 ALA 2.64 -0.42 1 79 GLU 3.35 -0.41 1 80 ILE 5.21 -0.57 1 81 ALA 2.58 -0.17 1 82 ALA -0.63 -0.27 1 83 SER 0.32 -0.05 1 84 GLU 1.36 0.15 1 85 GLU -0.66 -0.09 1 89 SER 0.38 -0.06 1 90 LEU 4.28 -0.36 1 91 SER 5.01 -0.32 1 92 THR 6.48 -0.43 1 93 LYS 3.82 -0.75 1 94 THR 7.78 -0.66 1 95 SER 4.59 -0.21 1 96 SER 6.21 -0.43 1 97 ILE 6.20 -0.36 1 98 ALA 4.84 -0.28 1 99 SER 4.17 -0.14 1 100 ALA 3.36 -0.18 1 101 MET 3.43 -0.11 1 102 SER 6.28 -0.09 1 103 ASN 4.13 -0.27 1 104 ALA 3.70 -0.08 1 105 PHE 6.45 -0.41 1 106 LEU 4.89 -0.64 1 107 GLN 2.01 -0.24 1 108 THR 1.48 0.02 1 109 THR -0.93 0.13 1 111 VAL -4.05 0.14 1 113 ASN -1.37 -0.17 1 114 GLN 8.65 -0.71 1 116 PHE 3.61 -0.36 1 117 ILE 5.83 -0.52 1 118 ASN 4.10 -0.37 1 119 GLU 3.89 -0.39 1 120 ILE 5.55 -0.60 1 121 THR 6.48 -0.55 1 122 GLN 4.04 -0.34 1 123 LEU 4.27 -0.92 1 124 VAL 6.56 -0.77 1 125 SER 4.40 -0.42 1 126 MET 3.48 -0.53 1 127 PHE 1.60 0.02 1 128 ALA 2.10 -0.14 1 129 GLN 1.60 -0.12 1 130 ALA 1.45 -0.10 1 132 MET 0.94 -0.08 1 133 ASN -0.09 0.03 1 134 ASP 0.13 -0.02 1 135 VAL 0.12 0.06 1 136 SER -0.18 -0.04 1 137 ALA 0.25 -0.21 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18480_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -4.05 _LACS_plot.Line_1_terminator_val_y_1 -1.48 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.14 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.28 _LACS_plot.Line_2_terminator_val_x_2 8.65 _LACS_plot.Line_2_terminator_val_y_2 3.46 _LACS_plot.Y_axis_chem_shift_offset -0.35 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 137 ALA 0.25 4.71 0 10 TRP 0.29 -0.28 1 11 THR 4.12 -0.73 1 12 ASN 0.83 -0.71 1 15 LEU 2.86 0.96 1 16 ALA 3.44 1.30 1 17 GLU 3.63 1.39 1 18 ASN 3.77 3.15 1 19 PHE 4.07 1.04 1 20 MET 4.01 2.62 1 21 ASN 3.65 3.05 1 22 SER 4.94 3.54 1 23 PHE 5.77 -0.15 1 24 MET 2.10 3.50 1 25 GLN 4.07 3.87 1 27 LEU 2.80 0.96 1 28 SER 3.73 -0.18 1 29 SER -0.95 -0.63 1 30 MET 0.84 -0.41 1 33 PHE -3.49 0.59 1 34 THR -3.02 0.37 1 35 ALA 4.05 2.95 1 36 SER 4.42 2.43 1 37 GLN 4.65 3.15 1 38 LEU 3.77 2.08 1 39 ASP 2.68 2.92 1 40 ASP 6.23 3.30 1 41 MET 3.69 1.39 1 42 SER 4.34 2.88 1 43 THR 5.52 2.56 1 44 ILE 5.55 2.16 1 45 ALA 4.68 1.60 1 46 GLN 4.25 3.01 1 47 SER 4.68 2.88 1 48 MET 3.60 1.50 1 49 VAL 6.86 1.61 1 50 GLN 4.71 3.45 1 51 SER 5.10 1.77 1 52 ILE 6.46 2.28 1 53 GLN 4.85 3.01 1 54 SER 3.91 2.22 1 55 LEU 2.67 1.83 1 56 ALA 3.71 2.73 1 57 ALA 3.57 1.54 1 58 GLN -1.77 0.61 1 60 ARG -1.70 -0.45 1 61 THR 0.68 -1.05 1 62 SER -0.75 0.11 1 65 LYS 4.54 2.40 1 66 LEU 3.69 1.33 1 67 GLN 5.43 2.79 1 68 ALA 3.89 2.52 1 69 LEU 3.16 1.26 1 70 ASN 4.11 2.28 1 71 MET 4.12 1.98 1 72 ALA 2.81 1.26 1 73 PHE 3.67 1.46 1 74 ALA 3.54 1.57 1 77 MET 1.94 2.05 1 78 ALA 2.64 0.55 1 79 GLU 3.35 2.29 1 80 ILE 5.21 2.61 1 81 ALA 2.58 -0.54 1 82 ALA -0.63 -0.11 1 83 SER 0.32 0.26 1 84 GLU 1.36 0.00 1 85 GLU -0.66 0.66 1 89 SER 0.38 0.47 1 90 LEU 4.28 1.83 1 91 SER 5.01 2.72 1 92 THR 6.48 1.46 1 94 THR 7.78 2.33 1 95 SER 4.59 3.23 1 97 ILE 6.20 1.29 1 98 ALA 4.84 2.94 1 99 SER 4.17 2.57 1 104 ALA 3.70 3.90 1 105 PHE 6.45 3.42 1 106 LEU 4.89 1.47 1 107 GLN 2.01 0.82 1 108 THR 1.48 1.25 1 109 THR -0.93 1.46 1 111 VAL -4.05 -1.88 1 112 VAL 1.62 -1.65 1 114 GLN 8.65 0.41 1 116 PHE 3.61 0.80 1 117 ILE 5.83 2.39 1 118 ASN 4.10 1.83 1 119 GLU 3.89 1.96 1 120 ILE 5.55 1.88 1 121 THR 6.48 2.56 1 122 GLN 4.04 3.01 1 123 LEU 4.27 0.75 1 124 VAL 6.56 1.15 1 125 SER 4.40 1.34 1 126 MET 3.48 2.95 1 127 PHE 1.60 2.33 1 128 ALA 2.10 0.99 1 129 GLN 1.60 1.26 1 130 ALA 1.45 0.76 1 132 MET 0.94 -0.35 1 133 ASN -0.09 -0.55 1 134 ASP 0.13 -0.14 1 135 VAL 0.12 -0.14 1 136 SER -0.18 -1.28 1 stop_ save_