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 bmr18261_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -4.83 _LACS_plot.Line_1_terminator_val_y_1 -1.89 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.22 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.04 _LACS_plot.Line_2_terminator_val_x_2 7.94 _LACS_plot.Line_2_terminator_val_y_2 5.97 _LACS_plot.Y_axis_chem_shift_offset -0.34 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 113 ASN -1.03 -3.02 0 10 TRP -4.83 -3.21 1 11 THR 2.70 2.14 1 12 ASN -1.79 -0.02 1 15 LEU 3.10 2.30 1 16 ALA 3.61 3.86 1 17 GLU 2.91 2.94 1 18 ASN 3.91 3.13 1 19 PHE 4.68 4.53 1 20 MET 3.05 2.08 1 21 ASN 4.18 3.20 1 22 SER 4.89 3.96 1 23 PHE 3.52 2.82 1 24 MET 3.24 0.65 1 25 GLN 4.61 3.44 1 27 LEU 2.48 2.16 1 28 SER 3.33 2.85 1 29 SER -1.07 -0.37 1 30 MET 0.44 0.34 1 33 PHE -3.43 -0.95 1 34 THR -2.04 -1.46 1 35 ALA 4.33 3.33 1 36 SER 4.53 3.10 1 37 GLN 3.22 2.94 1 38 LEU 4.31 2.83 1 39 ASP 4.37 3.51 1 40 ASP 4.45 3.54 1 41 MET 3.71 2.23 1 42 SER 4.81 3.78 1 43 THR 6.09 4.78 1 44 ILE 4.16 3.38 1 45 ALA 3.70 3.51 1 46 GLN 4.35 3.20 1 47 SER 4.19 3.23 1 48 MET 3.86 2.13 1 49 VAL 7.14 5.61 1 50 GLN 4.74 3.36 1 51 SER 5.29 4.45 1 52 ILE 4.60 3.64 1 53 GLN 5.30 3.80 1 54 SER 4.11 3.19 1 55 LEU 2.85 2.69 1 56 ALA 2.86 1.83 1 57 ALA 2.58 1.95 1 58 GLN -0.11 0.26 1 60 ARG -1.15 -0.34 1 61 THR 2.54 1.34 1 62 SER -0.69 -0.21 1 64 ASN 4.00 3.10 1 65 LYS 2.65 2.05 1 66 LEU 3.90 2.83 1 67 GLN 4.51 3.16 1 68 ALA 3.63 2.78 1 69 LEU 4.15 2.80 1 70 ASN 4.53 4.02 1 71 MET 4.64 4.05 1 72 ARG 3.84 3.06 1 73 PHE 1.62 1.55 1 74 ALA 1.41 2.82 1 75 SER 5.57 3.64 1 76 SER 5.10 4.24 1 77 MET 2.83 4.55 1 78 ALA 1.69 2.93 1 79 GLU 2.86 2.85 1 80 ILE 3.22 2.63 1 81 ALA 3.38 2.17 1 82 ALA 0.01 0.13 1 83 SER 0.89 1.03 1 84 GLU -0.76 -0.01 1 85 GLU 0.31 0.53 1 89 SER -2.37 -1.04 1 90 LEU 4.35 3.33 1 91 SER 4.75 2.96 1 92 THR 6.19 4.67 1 93 LYS 4.47 4.84 1 94 THR 6.96 5.17 1 95 SER 4.91 3.69 1 96 SER 5.40 4.40 1 97 ILE 5.77 5.62 1 98 ALA 4.41 3.66 1 99 SER 4.30 3.66 1 100 ALA 3.44 2.82 1 101 MET 3.92 5.60 1 102 SER 6.26 4.98 1 103 ASN 4.00 3.46 1 104 ALA 3.23 2.31 1 105 PHE 6.22 6.04 1 106 LEU 5.12 3.99 1 107 GLN 1.77 1.76 1 108 THR 0.21 0.73 1 109 THR -0.51 0.46 1 111 VAL -3.91 -1.42 1 112 VAL 2.48 2.21 1 114 GLN 7.95 5.65 1 116 PHE 3.65 3.56 1 117 ILE 5.26 4.58 1 118 ASN 4.10 2.62 1 119 GLU 3.08 2.83 1 120 ILE 4.81 1.66 1 121 THR 6.84 5.29 1 122 GLN 4.87 3.49 1 123 LEU 2.73 2.91 1 124 VAL 6.47 5.10 1 125 SER 4.97 4.06 1 126 MET 3.82 3.54 1 127 PHE 3.31 2.29 1 128 ALA 1.80 2.07 1 129 GLN 1.95 1.82 1 130 ALA 1.36 1.32 1 132 MET -0.36 0.21 1 133 ASN 0.01 0.41 1 134 ASP -0.01 0.18 1 135 VAL 0.22 -0.04 1 136 SER -0.20 0.04 1 137 ALA 0.23 1.47 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18261_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -4.83 _LACS_plot.Line_1_terminator_val_y_1 2.94 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.78 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.96 _LACS_plot.Line_2_terminator_val_x_2 7.94 _LACS_plot.Line_2_terminator_val_y_2 -1.97 _LACS_plot.Y_axis_chem_shift_offset -0.34 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 113 ASN -1.03 -1.99 0 10 TRP -4.83 1.62 1 11 THR 2.70 -0.56 1 12 ASN -1.79 1.77 1 15 LEU 3.10 -0.80 1 16 ALA 3.61 0.25 1 17 GLU 2.91 0.03 1 18 ASN 3.91 -0.78 1 19 PHE 4.68 -0.15 1 20 MET 3.05 -0.97 1 21 ASN 4.18 -0.98 1 22 SER 4.89 -0.93 1 23 PHE 3.52 -0.70 1 24 MET 3.24 -2.59 1 25 GLN 4.61 -1.17 1 27 LEU 2.48 -0.32 1 28 SER 3.33 -0.48 1 29 SER -1.07 0.70 1 30 MET 0.44 -0.10 1 33 PHE -3.43 2.48 1 34 THR -2.04 0.58 1 35 ALA 4.33 -1.00 1 36 SER 4.53 -1.43 1 37 GLN 3.22 -0.28 1 38 LEU 4.31 -1.48 1 39 ASP 4.37 -0.86 1 40 ASP 4.45 -0.91 1 41 MET 3.71 -1.48 1 42 SER 4.81 -1.03 1 43 THR 6.09 -1.31 1 44 ILE 4.16 -0.78 1 45 ALA 3.70 -0.19 1 46 GLN 4.35 -1.15 1 47 SER 4.19 -0.96 1 48 MET 3.86 -1.73 1 49 VAL 7.14 -1.53 1 50 GLN 4.74 -1.38 1 51 SER 5.29 -0.84 1 52 ILE 4.60 -0.96 1 53 GLN 5.30 -1.50 1 54 SER 4.11 -0.92 1 55 LEU 2.85 -0.16 1 56 ALA 2.86 -1.03 1 57 ALA 2.58 -0.63 1 58 GLN -0.11 0.37 1 60 ARG -1.15 0.81 1 61 THR 2.54 -1.20 1 62 SER -0.69 0.48 1 64 ASN 4.00 -0.90 1 65 LYS 2.65 -0.60 1 66 LEU 3.90 -1.07 1 67 GLN 4.51 -1.35 1 68 ALA 3.63 -0.85 1 69 LEU 4.15 -1.35 1 70 ASN 4.53 -0.51 1 71 MET 4.64 -0.59 1 72 ARG 3.84 -0.78 1 73 PHE 1.62 -0.07 1 74 ALA 1.41 1.41 1 75 SER 5.57 -1.93 1 76 SER 5.10 -0.86 1 77 MET 2.83 1.72 1 78 ALA 1.69 1.24 1 79 GLU 2.86 -0.01 1 80 ILE 3.22 -0.59 1 81 ALA 3.38 -1.21 1 82 ALA 0.01 0.12 1 83 SER 0.89 0.14 1 84 GLU -0.76 0.75 1 85 GLU 0.31 0.22 1 89 SER -2.37 1.33 1 90 LEU 4.35 -1.02 1 91 SER 4.75 -1.79 1 92 THR 6.19 -1.52 1 93 LYS 4.47 0.37 1 94 THR 6.96 -1.79 1 95 SER 4.91 -1.22 1 96 SER 5.40 -1.00 1 97 ILE 5.77 -0.15 1 98 ALA 4.41 -0.75 1 99 SER 4.30 -0.64 1 100 ALA 3.44 -0.62 1 101 MET 3.92 1.68 1 102 SER 6.26 -1.28 1 103 ASN 4.00 -0.54 1 104 ALA 3.23 -0.92 1 105 PHE 6.22 -0.18 1 106 LEU 5.12 -1.13 1 107 GLN 1.77 -0.01 1 108 THR 0.21 0.52 1 109 THR -0.51 0.97 1 111 VAL -3.91 2.49 1 112 VAL 2.48 -0.27 1 114 GLN 7.95 -2.30 1 116 PHE 3.65 -0.09 1 117 ILE 5.26 -0.68 1 118 ASN 4.10 -1.48 1 119 GLU 3.08 -0.25 1 120 ILE 4.81 -3.15 1 121 THR 6.84 -1.55 1 122 GLN 4.87 -1.38 1 123 LEU 2.73 0.18 1 124 VAL 6.47 -1.37 1 125 SER 4.97 -0.91 1 126 MET 3.82 -0.28 1 127 PHE 3.31 -1.02 1 128 ALA 1.80 0.27 1 129 GLN 1.95 -0.13 1 130 ALA 1.36 -0.04 1 132 MET -0.36 0.57 1 133 ASN 0.01 0.40 1 134 ASP -0.01 0.19 1 135 VAL 0.22 -0.26 1 136 SER -0.20 0.24 1 137 ALA 0.23 1.24 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18261_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -4.83 _LACS_plot.Line_1_terminator_val_y_1 0.33 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.15 _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 7.94 _LACS_plot.Line_2_terminator_val_y_2 -0.56 _LACS_plot.Y_axis_chem_shift_offset 0.00 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 10 TRP -4.83 0.24 0 61 THR 2.54 0.44 0 112 VAL 2.48 -0.87 0 11 THR 2.70 -0.45 1 12 ASN -1.79 0.07 1 15 LEU 3.10 -0.01 1 16 ALA 3.61 -0.32 1 17 GLU 2.91 -0.39 1 18 ASN 3.91 -0.19 1 19 PHE 4.68 -0.74 1 20 MET 3.05 -0.06 1 21 ASN 4.18 -0.20 1 22 SER 4.89 -0.27 1 23 PHE 3.52 -0.62 1 24 MET 3.24 -0.44 1 25 GLN 4.61 -0.36 1 27 LEU 2.48 -0.56 1 28 SER 3.33 -0.33 1 29 SER -1.07 0.26 1 30 MET 0.44 0.21 1 33 PHE -3.43 0.55 1 34 THR -2.04 0.19 1 35 ALA 4.33 -0.23 1 36 SER 4.53 -0.19 1 37 GLN 3.22 -0.07 1 38 LEU 4.31 -0.50 1 39 ASP 4.37 -0.20 1 40 ASP 4.45 -0.16 1 41 MET 3.71 -0.28 1 42 SER 4.81 -0.17 1 43 THR 6.09 -0.31 1 44 ILE 4.16 -0.24 1 45 ALA 3.70 -0.20 1 46 GLN 4.35 -0.27 1 47 SER 4.19 -0.21 1 48 MET 3.86 -0.37 1 49 VAL 7.14 -0.82 1 50 GLN 4.74 -0.25 1 51 SER 5.29 -0.23 1 52 ILE 4.60 -0.57 1 53 GLN 5.30 -0.39 1 54 SER 4.11 -0.17 1 55 LEU 2.85 -0.27 1 56 ALA 2.86 -0.09 1 57 ALA 2.58 -0.10 1 58 GLN -0.11 0.02 1 60 ARG -1.15 0.21 1 62 SER -0.69 0.12 1 64 ASN 4.00 -0.19 1 65 LYS 2.65 -0.12 1 66 LEU 3.90 -0.27 1 67 GLN 4.51 -0.12 1 68 ALA 3.63 -0.13 1 69 LEU 4.15 -0.43 1 70 ASN 4.53 -0.19 1 71 MET 4.64 -0.28 1 72 ARG 3.84 -0.36 1 73 PHE 1.62 -0.09 1 74 ALA 1.41 -0.56 1 75 SER 5.57 -0.83 1 76 SER 5.10 -0.16 1 77 MET 2.83 -0.45 1 78 ALA 1.69 -0.39 1 79 GLU 2.86 -0.43 1 80 ILE 3.22 -0.24 1 81 ALA 3.38 -0.36 1 82 ALA 0.01 0.00 1 83 SER 0.89 -0.17 1 84 GLU -0.76 0.07 1 85 GLU 0.31 -0.06 1 89 SER -2.37 0.11 1 90 LEU 4.35 -0.23 1 92 THR 6.19 -0.36 1 93 LYS 4.47 -0.52 1 94 THR 6.96 -0.41 1 95 SER 4.91 -0.08 1 96 SER 5.40 -0.01 1 97 ILE 5.77 -0.38 1 98 ALA 4.41 -0.26 1 99 SER 4.30 -0.10 1 100 ALA 3.44 -0.08 1 101 MET 3.92 -0.42 1 102 SER 6.26 -0.10 1 103 ASN 4.00 -0.26 1 104 ALA 3.23 -0.07 1 105 PHE 6.22 -0.22 1 106 LEU 5.12 -0.60 1 107 GLN 1.77 -0.15 1 108 THR 0.21 0.17 1 109 THR -0.51 0.27 1 111 VAL -3.91 0.15 1 113 ASN -1.03 -0.24 1 114 GLN 7.95 -0.71 1 116 PHE 3.65 -0.41 1 117 ILE 5.26 -0.63 1 118 ASN 4.10 -0.44 1 119 GLU 3.08 -0.32 1 120 ILE 4.81 -0.44 1 121 THR 6.84 -0.60 1 122 GLN 4.87 -0.25 1 123 LEU 2.73 -0.50 1 124 VAL 6.47 -0.56 1 125 SER 4.97 -0.43 1 126 MET 3.82 -0.43 1 127 PHE 3.31 -0.22 1 128 ALA 1.80 -0.17 1 129 GLN 1.95 -0.14 1 130 ALA 1.36 -0.03 1 132 MET -0.36 0.06 1 133 ASN 0.01 -0.02 1 134 ASP -0.01 0.02 1 135 VAL 0.22 0.09 1 136 SER -0.20 -0.01 1 137 ALA 0.23 -0.17 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18261_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -4.83 _LACS_plot.Line_1_terminator_val_y_1 -1.56 _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 -0.16 _LACS_plot.Line_2_terminator_val_x_2 7.94 _LACS_plot.Line_2_terminator_val_y_2 3.29 _LACS_plot.Y_axis_chem_shift_offset -0.49 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 137 ALA 0.23 4.71 0 10 TRP -4.83 -0.28 1 11 THR 2.70 -0.73 1 12 ASN -1.79 -0.71 1 15 LEU 3.10 0.96 1 16 ALA 3.61 1.30 1 17 GLU 2.91 1.39 1 18 ASN 3.91 3.15 1 19 PHE 4.68 1.04 1 20 MET 3.05 2.62 1 21 ASN 4.18 3.05 1 22 SER 4.89 3.54 1 23 PHE 3.52 -0.15 1 24 MET 3.24 3.50 1 25 GLN 4.61 3.87 1 27 LEU 2.48 0.96 1 28 SER 3.33 -0.18 1 29 SER -1.07 -0.63 1 30 MET 0.44 -0.41 1 33 PHE -3.43 0.59 1 34 THR -2.04 0.37 1 35 ALA 4.33 2.95 1 36 SER 4.53 2.43 1 37 GLN 3.22 3.15 1 38 LEU 4.31 2.08 1 39 ASP 4.37 2.92 1 40 ASP 4.45 3.30 1 41 MET 3.71 1.39 1 42 SER 4.81 2.88 1 43 THR 6.09 2.56 1 44 ILE 4.16 2.16 1 45 ALA 3.70 1.60 1 46 GLN 4.35 3.01 1 47 SER 4.19 2.88 1 48 MET 3.86 1.50 1 49 VAL 7.14 1.61 1 50 GLN 4.74 3.45 1 51 SER 5.29 1.77 1 52 ILE 4.60 2.28 1 53 GLN 5.30 3.01 1 54 SER 4.11 2.22 1 55 LEU 2.85 1.83 1 56 ALA 2.86 2.73 1 57 ALA 2.58 1.54 1 58 GLN -0.11 0.61 1 60 ARG -1.15 -0.45 1 61 THR 2.54 -1.05 1 62 SER -0.69 0.11 1 65 LYS 2.65 2.40 1 66 LEU 3.90 1.33 1 67 GLN 4.51 2.79 1 68 ALA 3.63 2.52 1 69 LEU 4.15 1.26 1 70 ASN 4.53 2.28 1 71 MET 4.64 1.98 1 72 ARG 3.84 2.76 1 73 PHE 1.62 1.46 1 74 ALA 1.41 1.57 1 77 MET 2.83 2.05 1 78 ALA 1.69 0.55 1 79 GLU 2.86 2.29 1 80 ILE 3.22 2.61 1 81 ALA 3.38 -0.54 1 82 ALA 0.01 -0.11 1 83 SER 0.89 0.26 1 84 GLU -0.76 0.00 1 85 GLU 0.31 0.66 1 89 SER -2.37 0.47 1 90 LEU 4.35 1.83 1 91 SER 4.75 2.72 1 92 THR 6.19 1.46 1 94 THR 6.96 2.33 1 95 SER 4.91 3.23 1 97 ILE 5.77 1.29 1 98 ALA 4.41 2.94 1 99 SER 4.30 2.57 1 100 ALA 3.44 4.05 1 101 MET 3.92 1.18 1 102 SER 6.26 1.76 1 103 ASN 4.00 1.40 1 104 ALA 3.23 3.90 1 105 PHE 6.22 3.42 1 106 LEU 5.12 1.47 1 107 GLN 1.77 0.82 1 108 THR 0.21 1.25 1 109 THR -0.51 1.46 1 111 VAL -3.91 -1.88 1 112 VAL 2.48 -1.65 1 114 GLN 7.95 0.41 1 116 PHE 3.65 0.80 1 117 ILE 5.26 2.39 1 118 ASN 4.10 1.83 1 119 GLU 3.08 1.96 1 120 ILE 4.81 1.88 1 121 THR 6.84 2.56 1 122 GLN 4.87 3.01 1 123 LEU 2.73 0.75 1 124 VAL 6.47 1.15 1 125 SER 4.97 1.34 1 126 MET 3.82 2.95 1 127 PHE 3.31 2.33 1 128 ALA 1.80 0.99 1 129 GLN 1.95 1.26 1 130 ALA 1.36 0.76 1 132 MET -0.36 -0.35 1 133 ASN 0.01 -0.55 1 134 ASP -0.01 -0.14 1 135 VAL 0.22 -0.14 1 136 SER -0.20 -1.28 1 stop_ save_