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 bmr17267_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.97 _LACS_plot.Line_1_terminator_val_y_1 -2.63 _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 -1.49 _LACS_plot.Line_2_terminator_val_x_2 6.23 _LACS_plot.Line_2_terminator_val_y_2 4.66 _LACS_plot.Y_axis_chem_shift_offset -0.01 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 99 HIS -6.97 0.58 0 10 ASN -0.13 -0.20 1 11 PHE 1.02 0.55 1 12 GLN 0.88 0.88 1 13 SER -0.46 -0.33 1 14 ILE 3.27 2.12 1 15 ASN 5.12 2.08 1 16 VAL 1.09 0.71 1 17 VAL -4.43 -3.64 1 18 GLU 0.96 1.69 1 19 ASN -3.97 -1.37 1 20 LEU 4.50 2.79 1 21 GLU 3.79 2.42 1 22 GLU -0.96 -0.94 1 23 ALA 2.02 0.68 1 24 LYS 1.19 0.46 1 25 GLU -0.53 0.18 1 27 ILE -1.04 -0.55 1 29 THR -2.19 0.40 1 30 ILE -2.38 -1.11 1 31 ILE -3.84 -1.59 1 32 MET -5.54 -1.42 1 33 PHE -0.43 0.45 1 34 LYS -6.04 -1.77 1 35 THR -4.70 -1.75 1 36 ASP 2.38 1.93 1 37 THR -0.78 -2.43 1 40 TYR 2.83 0.80 1 42 VAL 5.14 4.12 1 43 GLU 3.33 3.10 1 44 MET 4.14 3.36 1 45 GLN 4.66 3.92 1 46 LYS 5.04 3.60 1 47 GLU 3.15 2.73 1 48 LEU 3.92 3.14 1 49 SER 4.71 3.46 1 50 TYR 2.79 1.37 1 51 VAL 3.68 3.07 1 52 SER 4.94 4.24 1 53 LYS 3.61 2.96 1 54 GLU -0.13 0.01 1 55 ARG -2.66 -2.04 1 56 GLU 3.35 2.62 1 58 LYS -0.67 -0.53 1 59 PHE -1.00 -1.44 1 60 ASN -5.21 -0.87 1 61 ILE -3.17 -0.35 1 62 TYR -5.34 -2.18 1 63 TYR 0.06 -1.34 1 64 ALA -3.67 -2.58 1 65 ARG 2.11 0.73 1 66 LEU 3.52 1.73 1 67 GLU 3.76 3.42 1 68 GLU -1.88 -1.03 1 69 GLU 3.53 3.14 1 70 LYS 4.05 2.21 1 71 ASN 0.34 0.79 1 72 ILE 5.66 4.25 1 73 ASP 4.26 3.46 1 74 LEU 1.79 2.62 1 75 ALA 4.04 2.57 1 76 TYR 3.51 2.63 1 77 LYS 3.77 2.99 1 78 TYR -0.01 -0.32 1 79 ASP 2.34 0.83 1 80 ALA 0.30 -1.47 1 81 ASN 0.36 1.02 1 82 ILE -3.49 -1.64 1 83 VAL -3.11 -1.85 1 85 THR -0.29 2.59 1 86 THR 1.68 0.92 1 87 VAL -2.82 -1.19 1 88 PHE -1.27 -1.10 1 89 LEU -3.57 -2.31 1 90 ASP -2.41 -1.67 1 91 LYS 3.67 2.36 1 92 GLU -0.82 -0.57 1 94 ASN -0.71 -0.41 1 95 LYS 3.29 2.31 1 96 PHE -1.34 1.56 1 97 TYR -3.48 0.44 1 98 VAL -3.30 -1.22 1 100 GLN -0.57 -0.04 1 102 LEU 0.89 1.42 1 103 MET -4.77 -0.52 1 104 ARG -3.26 -2.01 1 105 LYS 4.07 4.74 1 106 ASN 5.15 3.47 1 107 ASN 2.19 2.77 1 108 ILE 5.20 4.88 1 109 GLU 4.30 3.79 1 110 THR 6.23 5.17 1 111 ILE 5.17 1.99 1 112 LEU 4.37 3.06 1 113 ASN 4.17 2.80 1 114 SER 4.07 3.33 1 115 LEU 0.02 0.24 1 117 VAL 1.95 0.50 1 118 LYS -0.54 -0.08 1 119 GLU -0.36 0.32 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17267_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.97 _LACS_plot.Line_1_terminator_val_y_1 4.34 _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 0.51 _LACS_plot.Line_2_terminator_val_x_2 6.23 _LACS_plot.Line_2_terminator_val_y_2 -1.57 _LACS_plot.Y_axis_chem_shift_offset -0.01 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 99 HIS -6.97 7.55 0 10 ASN -0.13 -0.07 1 11 PHE 1.02 -0.47 1 12 GLN 0.88 0.00 1 13 SER -0.46 0.13 1 14 ILE 3.27 -1.15 1 15 ASN 5.12 -3.04 1 16 VAL 1.09 -0.38 1 17 VAL -4.43 0.79 1 18 GLU 0.96 0.73 1 19 ASN -3.97 2.60 1 20 LEU 4.50 -1.71 1 21 GLU 3.79 -1.37 1 22 GLU -0.96 0.02 1 23 ALA 2.02 -1.34 1 24 LYS 1.19 -0.73 1 25 GLU -0.53 0.71 1 27 ILE -1.04 0.49 1 29 THR -2.19 2.59 1 30 ILE -2.38 1.27 1 31 ILE -3.84 2.25 1 32 MET -5.54 4.12 1 33 PHE -0.43 0.88 1 34 LYS -6.04 4.27 1 35 THR -4.70 2.95 1 36 ASP 2.38 -0.45 1 37 THR -0.78 -1.65 1 40 TYR 2.83 -2.03 1 42 VAL 5.14 -1.02 1 43 GLU 3.33 -0.23 1 44 MET 4.14 -0.78 1 45 GLN 4.66 -0.74 1 46 LYS 5.04 -1.44 1 47 GLU 3.15 -0.42 1 48 LEU 3.92 -0.78 1 49 SER 4.71 -1.25 1 50 TYR 2.79 -1.42 1 51 VAL 3.68 -0.61 1 52 SER 4.94 -0.70 1 53 LYS 3.61 -0.65 1 54 GLU -0.13 0.14 1 55 ARG -2.66 0.62 1 56 GLU 3.35 -0.73 1 58 LYS -0.67 0.14 1 59 PHE -1.00 -0.44 1 60 ASN -5.21 4.34 1 61 ILE -3.17 2.82 1 62 TYR -5.34 3.16 1 63 TYR 0.06 -1.40 1 64 ALA -3.67 1.09 1 65 ARG 2.11 -1.38 1 66 LEU 3.52 -1.79 1 67 GLU 3.76 -0.34 1 68 GLU -1.88 0.85 1 69 GLU 3.53 -0.39 1 70 LYS 4.05 -1.84 1 71 ASN 0.34 0.45 1 72 ILE 5.66 -1.41 1 73 ASP 4.26 -0.80 1 74 LEU 1.79 0.83 1 75 ALA 4.04 -1.47 1 76 TYR 3.51 -0.88 1 77 LYS 3.77 -0.78 1 78 TYR -0.01 -0.31 1 79 ASP 2.34 -1.51 1 80 ALA 0.30 -1.77 1 81 ASN 0.36 0.66 1 82 ILE -3.49 1.85 1 83 VAL -3.11 1.26 1 85 THR -0.29 2.88 1 86 THR 1.68 -0.76 1 87 VAL -2.82 1.63 1 88 PHE -1.27 0.17 1 89 LEU -3.57 1.26 1 90 ASP -2.41 0.74 1 91 LYS 3.67 -1.31 1 92 GLU -0.82 0.25 1 94 ASN -0.71 0.30 1 95 LYS 3.29 -0.98 1 96 PHE -1.34 2.90 1 97 TYR -3.48 3.92 1 98 VAL -3.30 2.08 1 100 GLN -0.57 0.53 1 102 LEU 0.89 0.53 1 103 MET -4.77 4.25 1 104 ARG -3.26 1.25 1 105 LYS 4.07 0.67 1 106 ASN 5.15 -1.68 1 107 ASN 2.19 0.58 1 108 ILE 5.20 -0.32 1 109 GLU 4.30 -0.51 1 110 THR 6.23 -1.06 1 111 ILE 5.17 -3.18 1 112 LEU 4.37 -1.31 1 113 ASN 4.17 -1.37 1 114 SER 4.07 -0.74 1 115 LEU 0.02 0.22 1 117 VAL 1.95 -1.45 1 118 LYS -0.54 0.46 1 119 GLU -0.36 0.68 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17267_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.97 _LACS_plot.Line_1_terminator_val_y_1 0.83 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.10 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.31 _LACS_plot.Line_2_terminator_val_x_2 6.23 _LACS_plot.Line_2_terminator_val_y_2 -0.54 _LACS_plot.Y_axis_chem_shift_offset -0.10 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 64 ALA -3.67 -0.43 0 86 THR 1.68 0.96 0 99 HIS -6.97 0.04 0 10 ASN -0.13 -0.02 1 11 PHE 1.02 -0.01 1 12 GLN 0.88 -0.02 1 13 SER -0.46 0.12 1 14 ILE 3.27 -0.29 1 15 ASN 5.12 -0.38 1 16 VAL 1.09 0.49 1 17 VAL -4.43 0.74 1 18 GLU 0.96 -0.11 1 19 ASN -3.97 0.26 1 20 LEU 4.50 -0.97 1 21 GLU 3.79 -0.29 1 22 GLU -0.96 -0.04 1 23 ALA 2.02 -0.56 1 24 LYS 1.19 -0.13 1 25 GLU -0.53 -0.09 1 27 ILE -1.04 0.56 1 29 THR -2.19 0.66 1 30 ILE -2.38 0.44 1 31 ILE -3.84 0.76 1 32 MET -5.54 0.86 1 33 PHE -0.43 0.67 1 34 LYS -6.04 0.86 1 35 THR -4.70 1.29 1 36 ASP 2.38 -0.14 1 37 THR -0.78 0.14 1 40 TYR 2.83 0.18 1 42 VAL 5.14 -0.38 1 43 GLU 3.33 -0.21 1 44 MET 4.14 -0.26 1 45 GLN 4.66 -0.04 1 46 LYS 5.04 -0.48 1 47 GLU 3.15 -0.15 1 48 LEU 3.92 -0.31 1 49 SER 4.71 0.11 1 50 TYR 2.79 0.03 1 51 VAL 3.68 -0.17 1 52 SER 4.94 -0.53 1 53 LYS 3.61 -0.30 1 54 GLU -0.13 0.14 1 55 ARG -2.66 0.37 1 56 GLU 3.35 -0.37 1 58 LYS -0.67 0.08 1 59 PHE -1.00 0.12 1 60 ASN -5.21 0.62 1 61 ILE -3.17 0.80 1 62 TYR -5.34 0.34 1 63 TYR 0.06 0.21 1 65 ARG 2.11 0.01 1 66 LEU 3.52 -0.09 1 67 GLU 3.76 -0.35 1 68 GLU -1.88 0.26 1 69 GLU 3.53 -0.29 1 70 LYS 4.05 0.10 1 71 ASN 0.34 0.54 1 72 ILE 5.66 -0.39 1 73 ASP 4.26 -0.05 1 74 LEU 1.79 -0.11 1 75 ALA 4.04 -0.83 1 76 TYR 3.51 -0.22 1 77 LYS 3.77 -0.51 1 78 TYR -0.01 0.18 1 79 ASP 2.34 -0.49 1 80 ALA 0.30 0.06 1 81 ASN 0.36 -0.23 1 82 ILE -3.49 0.20 1 83 VAL -3.11 0.40 1 85 THR -0.29 0.79 1 87 VAL -2.82 0.49 1 88 PHE -1.27 0.32 1 89 LEU -3.57 0.95 1 90 ASP -2.41 -0.14 1 91 LYS 3.67 -0.53 1 92 GLU -0.82 0.13 1 94 ASN -0.71 0.14 1 95 LYS 3.29 -0.15 1 96 PHE -1.34 0.28 1 97 TYR -3.48 0.17 1 98 VAL -3.30 1.02 1 100 GLN -0.57 0.61 1 102 LEU 0.89 -0.20 1 103 MET -4.77 0.07 1 104 ARG -3.26 0.26 1 105 LYS 4.07 -0.52 1 106 ASN 5.15 -0.16 1 107 ASN 2.19 -0.15 1 108 ILE 5.20 -0.72 1 109 GLU 4.30 -0.74 1 110 THR 6.23 -0.43 1 111 ILE 5.17 -0.61 1 112 LEU 4.37 -0.51 1 113 ASN 4.17 -0.24 1 114 SER 4.07 -0.14 1 115 LEU 0.02 -0.43 1 117 VAL 1.95 -0.01 1 118 LYS -0.54 0.09 1 119 GLU -0.36 -0.09 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17267_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.97 _LACS_plot.Line_1_terminator_val_y_1 -2.82 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.62 _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 6.23 _LACS_plot.Line_2_terminator_val_y_2 2.28 _LACS_plot.Y_axis_chem_shift_offset 0.16 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 35 THR -4.70 2.10 0 99 HIS -6.97 1.14 0 10 ASN -0.13 0.21 1 11 PHE 1.02 0.30 1 12 GLN 0.88 0.03 1 13 SER -0.46 0.38 1 14 ILE 3.27 0.13 1 15 ASN 5.12 -0.79 1 16 VAL 1.09 0.94 1 17 VAL -4.43 -0.58 1 18 GLU 0.96 -0.79 1 19 ASN -3.97 -0.25 1 20 LEU 4.50 1.28 1 21 GLU 3.79 0.53 1 22 GLU -0.96 -0.50 1 23 ALA 2.02 -0.90 1 24 LYS 1.19 1.01 1 25 GLU -0.53 1.01 1 27 ILE -1.04 -3.04 1 29 THR -2.19 -3.39 1 30 ILE -2.38 -2.02 1 31 ILE -3.84 -1.60 1 32 MET -5.54 -0.74 1 33 PHE -0.43 -0.80 1 34 LYS -6.04 -3.20 1 36 ASP 2.38 1.06 1 37 THR -0.78 -1.11 1 40 TYR 2.83 2.24 1 42 VAL 5.14 2.72 1 43 GLU 3.33 2.52 1 44 MET 4.14 1.40 1 45 GLN 4.66 3.29 1 46 LYS 5.04 2.48 1 47 GLU 3.15 3.19 1 48 LEU 3.92 2.57 1 49 SER 4.71 2.36 1 50 TYR 2.79 3.52 1 51 VAL 3.68 2.06 1 52 SER 4.94 0.53 1 53 LYS 3.61 1.39 1 54 GLU -0.13 0.09 1 55 ARG -2.66 -0.03 1 56 GLU 3.35 1.75 1 58 LYS -0.67 -1.05 1 59 PHE -1.00 -3.56 1 60 ASN -5.21 -0.30 1 61 ILE -3.17 -3.08 1 62 TYR -5.34 -2.76 1 63 TYR 0.06 -2.88 1 64 ALA -3.67 -2.75 1 65 ARG 2.11 2.87 1 66 LEU 3.52 -0.25 1 67 GLU 3.76 0.95 1 68 GLU -1.88 0.05 1 69 GLU 3.53 2.22 1 70 LYS 4.05 0.90 1 71 ASN 0.34 0.94 1 72 ILE 5.66 2.01 1 73 ASP 4.26 3.13 1 74 LEU 1.79 0.35 1 75 ALA 4.04 2.63 1 76 TYR 3.51 3.38 1 77 LYS 3.77 1.24 1 78 TYR -0.01 -2.58 1 79 ASP 2.34 -1.13 1 80 ALA 0.30 -2.37 1 81 ASN 0.36 -0.75 1 82 ILE -3.49 -1.19 1 83 VAL -3.11 -0.86 1 85 THR -0.29 -1.93 1 86 THR 1.68 -2.04 1 87 VAL -2.82 -2.42 1 88 PHE -1.27 -1.36 1 89 LEU -3.57 0.00 1 90 ASP -2.41 1.92 1 91 LYS 3.67 -0.55 1 92 GLU -0.82 0.03 1 94 ASN -0.71 0.37 1 95 LYS 3.29 -1.17 1 96 PHE -1.34 -0.79 1 97 TYR -3.48 -3.51 1 98 VAL -3.30 -3.26 1 100 GLN -0.57 -1.51 1 102 LEU 0.89 -1.16 1 103 MET -4.77 -2.65 1 104 ARG -3.26 1.71 1 105 LYS 4.07 0.32 1 106 ASN 5.15 2.23 1 107 ASN 2.19 2.20 1 108 ILE 5.20 1.54 1 109 GLU 4.30 1.35 1 110 THR 6.23 2.04 1 111 ILE 5.17 2.41 1 112 LEU 4.37 2.15 1 113 ASN 4.17 4.20 1 114 SER 4.07 0.69 1 115 LEU 0.02 -0.46 1 117 VAL 1.95 -0.43 1 118 LYS -0.54 -0.01 1 119 GLU -0.36 0.47 1 stop_ save_