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 bmr27978_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -3.19 _LACS_plot.Line_1_terminator_val_y_1 -1.81 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.32 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.28 _LACS_plot.Line_2_terminator_val_x_2 6.85 _LACS_plot.Line_2_terminator_val_y_2 5.22 _LACS_plot.Y_axis_chem_shift_offset -0.15 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 123 GLU 5.75 0.76 0 10 LEU -0.74 -1.65 1 11 GLU 3.66 3.10 1 12 PHE 3.01 0.98 1 13 LEU 2.09 1.19 1 14 ARG 4.38 3.66 1 15 ASP -0.69 -0.35 1 16 GLN 0.63 0.07 1 18 GLN 5.08 3.48 1 19 PHE 2.95 3.35 1 20 GLN 5.17 3.20 1 21 ASN 3.51 3.31 1 22 MET 3.95 4.28 1 23 ARG 4.80 3.64 1 24 GLN 4.14 3.28 1 25 VAL 4.95 3.96 1 26 ILE 3.17 1.27 1 27 GLN 4.11 2.82 1 28 GLN 1.07 1.40 1 29 ASN -0.24 -0.30 1 31 ALA 1.78 1.01 1 32 LEU 0.41 0.06 1 33 LEU 3.44 2.52 1 35 ALA 3.53 2.85 1 36 LEU 4.23 2.84 1 37 LEU 4.55 3.34 1 38 GLN 4.38 3.25 1 39 GLN 3.23 2.94 1 40 LEU 2.46 1.96 1 42 GLN -0.26 1.02 1 43 GLU -0.52 -0.51 1 44 ASN 5.08 3.56 1 46 GLN 2.70 2.10 1 47 LEU 4.28 2.61 1 48 LEU 4.70 3.52 1 49 GLN 3.90 3.51 1 50 GLN 5.31 4.59 1 51 ILE 3.86 3.17 1 52 SER 1.78 1.54 1 53 ARG -1.52 -0.79 1 54 HIS 5.08 4.82 1 55 GLN 4.49 3.50 1 56 GLU 5.18 3.65 1 57 GLN 3.75 3.36 1 58 PHE 4.49 2.82 1 59 ILE 4.64 3.56 1 60 GLN 2.63 3.49 1 61 MET 2.20 2.05 1 62 LEU -0.89 0.33 1 63 ASN 0.78 1.04 1 64 GLU -0.63 -0.08 1 68 GLU -0.04 -0.07 1 69 LEU -0.54 -0.08 1 70 ALA -0.07 0.12 1 71 ASP -0.03 -0.01 1 72 ILE 0.03 0.27 1 73 SER 0.08 0.18 1 74 ASP 0.39 0.29 1 75 VAL -0.13 0.33 1 76 GLU -0.66 -0.20 1 78 GLU 0.74 0.48 1 79 VAL -0.50 -0.19 1 81 ALA 0.15 0.19 1 82 ILE -0.96 -0.20 1 84 GLU -0.76 -0.19 1 85 GLU -0.02 0.05 1 86 ALA 0.22 0.20 1 88 GLN 0.73 0.33 1 89 MET 0.32 0.26 1 90 ASN -0.05 -0.11 1 91 TYR -0.51 -0.27 1 92 ILE -0.07 -0.12 1 93 GLN -3.19 -1.94 1 94 VAL 2.68 1.04 1 95 THR 5.29 3.96 1 97 GLN 2.00 2.07 1 98 GLU 4.20 3.25 1 99 LYS 3.44 2.92 1 100 GLU 3.28 2.95 1 101 ALA 5.14 4.00 1 102 ILE 3.75 2.83 1 103 GLU 4.38 4.85 1 104 ARG 1.87 2.63 1 105 LEU 3.79 3.33 1 106 LYS 3.00 1.62 1 107 ALA 1.36 1.06 1 108 LEU -2.99 0.07 1 110 PHE 4.04 4.69 1 112 GLU 5.26 3.24 1 113 SER 1.83 1.99 1 114 LEU 6.85 5.14 1 115 VAL 5.91 4.95 1 116 ILE 4.49 3.81 1 117 GLN 2.04 2.38 1 118 ALA 3.82 4.09 1 119 TYR 5.58 3.84 1 120 PHE 3.28 2.62 1 121 ALA 3.64 0.44 1 124 LYS -1.24 -0.88 1 125 ASN 3.16 4.01 1 126 GLU 3.91 3.51 1 127 ASN 3.40 2.73 1 128 LEU 3.77 2.76 1 129 ALA 4.75 3.39 1 130 ALA 3.77 3.41 1 131 ASN 3.65 3.53 1 132 PHE 4.57 2.68 1 133 LEU 2.21 1.89 1 134 LEU 1.19 1.26 1 135 SER 0.23 -0.04 1 136 GLN -0.32 -0.05 1 137 ASN 0.25 0.20 1 138 PHE 0.48 0.59 1 139 ASP 0.38 0.66 1 140 ASP 0.59 0.65 1 141 GLU 1.11 0.88 1 142 LEU 0.44 0.61 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27978_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -3.19 _LACS_plot.Line_1_terminator_val_y_1 1.38 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.68 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.72 _LACS_plot.Line_2_terminator_val_x_2 6.85 _LACS_plot.Line_2_terminator_val_y_2 -1.63 _LACS_plot.Y_axis_chem_shift_offset -0.15 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 123 GLU 5.75 -4.99 0 10 LEU -0.74 -0.91 1 11 GLU 3.66 -0.56 1 12 PHE 3.01 -2.03 1 13 LEU 2.09 -0.90 1 14 ARG 4.38 -0.72 1 15 ASP -0.69 0.34 1 16 GLN 0.63 -0.56 1 18 GLN 5.08 -1.60 1 19 PHE 2.95 0.40 1 20 GLN 5.17 -1.97 1 21 ASN 3.51 -0.20 1 22 MET 3.95 0.33 1 23 ARG 4.80 -1.16 1 24 GLN 4.14 -0.86 1 25 VAL 4.95 -0.99 1 26 ILE 3.17 -1.90 1 27 GLN 4.11 -1.29 1 28 GLN 1.07 0.33 1 29 ASN -0.24 -0.06 1 31 ALA 1.78 -0.77 1 32 LEU 0.41 -0.35 1 33 LEU 3.44 -0.92 1 35 ALA 3.53 -0.68 1 36 LEU 4.23 -1.39 1 37 LEU 4.55 -1.21 1 38 GLN 4.38 -1.13 1 39 GLN 3.23 -0.29 1 40 LEU 2.46 -0.50 1 42 GLN -0.26 1.28 1 43 GLU -0.52 0.01 1 44 ASN 5.08 -1.52 1 46 GLN 2.70 -0.60 1 47 LEU 4.28 -1.67 1 48 LEU 4.70 -1.18 1 49 GLN 3.90 -0.39 1 50 GLN 5.31 -0.72 1 51 ILE 3.86 -0.69 1 52 SER 1.78 -0.24 1 53 ARG -1.52 0.73 1 54 HIS 5.08 -0.26 1 55 GLN 4.49 -0.99 1 56 GLU 5.18 -1.53 1 57 GLN 3.75 -0.39 1 58 PHE 4.49 -1.67 1 59 ILE 4.64 -1.08 1 60 GLN 2.63 0.86 1 61 MET 2.20 -0.15 1 62 LEU -0.89 1.22 1 63 ASN 0.78 0.26 1 64 GLU -0.63 0.55 1 68 GLU -0.04 -0.03 1 69 LEU -0.54 0.46 1 70 ALA -0.07 0.19 1 71 ASP -0.03 0.02 1 72 ILE 0.03 0.24 1 73 SER 0.08 0.10 1 74 ASP 0.39 -0.10 1 75 VAL -0.13 0.46 1 76 GLU -0.66 0.46 1 78 GLU 0.74 -0.26 1 79 VAL -0.50 0.31 1 81 ALA 0.15 0.04 1 82 ILE -0.96 0.76 1 84 GLU -0.76 0.57 1 85 GLU -0.02 0.07 1 86 ALA 0.22 -0.02 1 88 GLN 0.73 -0.40 1 89 MET 0.32 -0.06 1 90 ASN -0.05 -0.06 1 91 TYR -0.51 0.24 1 92 ILE -0.07 -0.05 1 93 GLN -3.19 1.25 1 94 VAL 2.68 -1.64 1 95 THR 5.29 -1.33 1 97 GLN 2.00 0.07 1 98 GLU 4.20 -0.95 1 99 LYS 3.44 -0.52 1 100 GLU 3.28 -0.33 1 101 ALA 5.14 -1.14 1 102 ILE 3.75 -0.92 1 103 GLU 4.38 0.47 1 104 ARG 1.87 0.76 1 105 LEU 3.79 -0.46 1 106 LYS 3.00 -1.38 1 107 ALA 1.36 -0.30 1 108 LEU -2.99 3.06 1 110 PHE 4.04 0.65 1 112 GLU 5.26 -2.02 1 113 SER 1.83 0.16 1 114 LEU 6.85 -1.71 1 115 VAL 5.91 -0.96 1 116 ILE 4.49 -0.68 1 117 GLN 2.04 0.34 1 118 ALA 3.82 0.27 1 119 TYR 5.58 -1.74 1 120 PHE 3.28 -0.66 1 121 ALA 3.64 -3.20 1 124 LYS -1.24 0.36 1 125 ASN 3.16 0.85 1 126 GLU 3.91 -0.40 1 127 ASN 3.40 -0.67 1 128 LEU 3.77 -1.01 1 129 ALA 4.75 -1.36 1 130 ALA 3.77 -0.36 1 131 ASN 3.65 -0.12 1 132 PHE 4.57 -1.89 1 133 LEU 2.21 -0.32 1 134 LEU 1.19 0.07 1 135 SER 0.23 -0.27 1 136 GLN -0.32 0.27 1 137 ASN 0.25 -0.05 1 138 PHE 0.48 0.11 1 139 ASP 0.38 0.28 1 140 ASP 0.59 0.06 1 141 GLU 1.11 -0.23 1 142 LEU 0.44 0.17 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27978_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -3.19 _LACS_plot.Line_1_terminator_val_y_1 0.22 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.18 _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 6.85 _LACS_plot.Line_2_terminator_val_y_2 -0.56 _LACS_plot.Y_axis_chem_shift_offset 0.02 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 123 GLU 5.75 -2.72 0 10 LEU -0.74 0.01 1 11 GLU 3.66 -0.66 1 12 PHE 3.01 -0.19 1 13 LEU 2.09 -0.74 1 14 ARG 4.38 -0.78 1 15 ASP -0.69 0.15 1 16 GLN 0.63 0.11 1 18 GLN 5.08 -0.09 1 19 PHE 2.95 -0.24 1 20 GLN 5.17 -0.58 1 21 ASN 3.51 -0.27 1 22 MET 3.95 -0.58 1 23 ARG 4.80 -0.73 1 24 GLN 4.14 -0.33 1 25 VAL 4.95 -0.38 1 26 ILE 3.17 -0.34 1 27 GLN 4.11 -0.32 1 28 GLN 1.07 -0.03 1 29 ASN -0.24 -0.04 1 31 ALA 1.78 -0.06 1 32 LEU 0.41 0.01 1 33 LEU 3.44 -0.11 1 35 ALA 3.53 -0.15 1 36 LEU 4.23 -0.29 1 37 LEU 4.55 -0.31 1 38 GLN 4.38 -0.26 1 39 GLN 3.23 -0.16 1 40 LEU 2.46 -0.14 1 42 GLN -0.26 -0.03 1 43 GLU -0.52 -0.01 1 44 ASN 5.08 -0.22 1 46 GLN 2.70 0.01 1 47 LEU 4.28 -0.36 1 48 LEU 4.70 -0.32 1 49 GLN 3.90 -0.19 1 50 GLN 5.31 -0.70 1 51 ILE 3.86 -0.34 1 52 SER 1.78 -0.20 1 53 ARG -1.52 0.41 1 54 HIS 5.08 -0.28 1 55 GLN 4.49 -0.28 1 56 GLU 5.18 -0.23 1 57 GLN 3.75 -0.42 1 58 PHE 4.49 -0.74 1 59 ILE 4.64 -0.29 1 60 GLN 2.63 -0.31 1 61 MET 2.20 -0.55 1 62 LEU -0.89 -0.13 1 63 ASN 0.78 -0.17 1 64 GLU -0.63 -0.06 1 68 GLU -0.04 0.02 1 69 LEU -0.54 -0.01 1 70 ALA -0.07 -0.02 1 71 ASP -0.03 0.09 1 72 ILE 0.03 -0.01 1 73 SER 0.08 0.03 1 74 ASP 0.39 0.00 1 75 VAL -0.13 -0.07 1 76 GLU -0.66 0.00 1 78 GLU 0.74 0.00 1 79 VAL -0.50 0.05 1 81 ALA 0.15 0.01 1 82 ILE -0.96 -0.04 1 84 GLU -0.76 -0.07 1 85 GLU -0.02 -0.03 1 86 ALA 0.22 -0.06 1 88 GLN 0.73 -0.08 1 89 MET 0.32 -0.11 1 90 ASN -0.05 0.00 1 91 TYR -0.51 -0.09 1 92 ILE -0.07 0.12 1 93 GLN -3.19 0.72 1 94 VAL 2.68 0.12 1 95 THR 5.29 -0.22 1 97 GLN 2.00 -0.19 1 98 GLU 4.20 -0.55 1 99 LYS 3.44 -0.43 1 100 GLU 3.28 -0.42 1 101 ALA 5.14 -1.05 1 102 ILE 3.75 -0.32 1 103 GLU 4.38 -0.29 1 104 ARG 1.87 -0.17 1 105 LEU 3.79 0.00 1 106 LYS 3.00 -0.07 1 107 ALA 1.36 -0.06 1 108 LEU -2.99 0.09 1 110 PHE 4.04 -0.74 1 112 GLU 5.26 -0.37 1 113 SER 1.83 -0.07 1 114 LEU 6.85 -0.66 1 115 VAL 5.91 -0.64 1 116 ILE 4.49 -0.28 1 117 GLN 2.04 -0.58 1 118 ALA 3.82 -0.80 1 119 TYR 5.58 -0.60 1 120 PHE 3.28 -0.08 1 121 ALA 3.64 -0.62 1 124 LYS -1.24 0.07 1 125 ASN 3.16 -0.51 1 126 GLU 3.91 -0.22 1 127 ASN 3.40 -0.16 1 128 LEU 3.77 0.03 1 129 ALA 4.75 -0.49 1 130 ALA 3.77 -0.37 1 131 ASN 3.65 -0.48 1 132 PHE 4.57 -0.82 1 133 LEU 2.21 -0.09 1 134 LEU 1.19 -0.09 1 135 SER 0.23 -0.29 1 136 GLN -0.32 -0.03 1 137 ASN 0.25 0.03 1 138 PHE 0.48 -0.04 1 139 ASP 0.38 -0.08 1 140 ASP 0.59 -0.14 1 141 GLU 1.11 -0.14 1 142 LEU 0.44 -0.21 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27978_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -3.19 _LACS_plot.Line_1_terminator_val_y_1 -1.70 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.90 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.06 _LACS_plot.Line_2_terminator_val_x_2 6.85 _LACS_plot.Line_2_terminator_val_y_2 3.27 _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 123 GLU 5.75 -2.64 0 10 LEU -0.74 -0.82 1 11 GLU 3.66 1.43 1 12 PHE 3.01 0.56 1 13 LEU 2.09 0.40 1 14 ARG 4.38 0.57 1 15 ASP -0.69 -0.01 1 16 GLN 0.63 1.56 1 18 GLN 5.08 2.96 1 19 PHE 2.95 0.69 1 20 GLN 5.17 3.13 1 21 ASN 3.51 1.58 1 22 MET 3.95 0.72 1 23 ARG 4.80 1.33 1 24 GLN 4.14 2.76 1 25 VAL 4.95 2.60 1 26 ILE 3.17 0.89 1 27 GLN 4.11 1.94 1 28 GLN 1.07 0.66 1 29 ASN -0.24 -1.35 1 31 ALA 1.78 0.96 1 32 LEU 0.41 -0.40 1 33 LEU 3.44 3.10 1 35 ALA 3.53 2.88 1 36 LEU 4.23 1.33 1 37 LEU 4.55 3.28 1 38 GLN 4.38 2.71 1 39 GLN 3.23 1.46 1 40 LEU 2.46 1.57 1 42 GLN -0.26 0.53 1 43 GLU -0.52 -2.04 1 44 ASN 5.08 2.58 1 46 GLN 2.70 1.29 1 47 LEU 4.28 1.25 1 48 LEU 4.70 2.66 1 49 GLN 3.90 2.57 1 50 GLN 5.31 1.25 1 51 ILE 3.86 1.69 1 52 SER 1.78 -0.11 1 53 ARG -1.52 1.76 1 54 HIS 5.08 2.15 1 55 GLN 4.49 2.87 1 56 GLU 5.18 2.28 1 57 GLN 3.75 0.49 1 58 PHE 4.49 2.31 1 59 ILE 4.64 3.34 1 60 GLN 2.63 2.96 1 61 MET 2.20 -0.48 1 62 LEU -0.89 -0.09 1 63 ASN 0.78 -0.56 1 64 GLU -0.63 -0.19 1 68 GLU -0.04 -0.60 1 69 LEU -0.54 -0.56 1 70 ALA -0.07 -0.05 1 71 ASP -0.03 -0.09 1 72 ILE 0.03 -0.35 1 73 SER 0.08 -0.07 1 74 ASP 0.39 0.06 1 75 VAL -0.13 0.40 1 76 GLU -0.66 0.20 1 78 GLU 0.74 0.52 1 79 VAL -0.50 0.01 1 81 ALA 0.15 0.47 1 82 ILE -0.96 -0.16 1 84 GLU -0.76 -0.67 1 85 GLU -0.02 -0.44 1 86 ALA 0.22 0.22 1 88 GLN 0.73 -0.63 1 89 MET 0.32 -0.55 1 90 ASN -0.05 -0.51 1 91 TYR -0.51 -1.14 1 92 ILE -0.07 -0.62 1 93 GLN -3.19 0.40 1 94 VAL 2.68 0.75 1 95 THR 5.29 3.58 1 97 GLN 2.00 1.89 1 98 GLU 4.20 1.97 1 99 LYS 3.44 2.63 1 100 GLU 3.28 1.18 1 101 ALA 5.14 1.97 1 102 ILE 3.75 3.71 1 103 GLU 4.38 3.58 1 104 ARG 1.87 2.39 1 105 LEU 3.79 4.12 1 106 LYS 3.00 0.93 1 107 ALA 1.36 -0.71 1 108 LEU -2.99 -1.58 1 110 PHE 4.04 0.34 1 112 GLU 5.26 2.40 1 113 SER 1.83 1.24 1 114 LEU 6.85 1.01 1 115 VAL 5.91 1.14 1 116 ILE 4.49 2.95 1 117 GLN 2.04 0.78 1 118 ALA 3.82 2.17 1 119 TYR 5.58 3.73 1 120 PHE 3.28 1.66 1 121 ALA 3.64 -1.45 1 124 LYS -1.24 0.02 1 125 ASN 3.16 0.31 1 126 GLU 3.91 2.83 1 127 ASN 3.40 2.37 1 128 LEU 3.77 1.07 1 129 ALA 4.75 1.06 1 130 ALA 3.77 2.87 1 131 ASN 3.65 2.55 1 132 PHE 4.57 0.93 1 133 LEU 2.21 0.88 1 134 LEU 1.19 -0.05 1 135 SER 0.23 -1.00 1 136 GLN -0.32 -0.40 1 137 ASN 0.25 -0.18 1 138 PHE 0.48 -0.12 1 139 ASP 0.38 0.39 1 140 ASP 0.59 0.44 1 141 GLU 1.11 0.21 1 142 LEU 0.44 -0.04 1 stop_ save_