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 bmr26534_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.55 _LACS_plot.Line_1_terminator_val_y_1 -3.07 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 0.98 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.54 _LACS_plot.Line_2_terminator_val_x_2 7.05 _LACS_plot.Line_2_terminator_val_y_2 5.50 _LACS_plot.Y_axis_chem_shift_offset -0.08 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 94 ALA -7.55 -2.33 0 28 ASP -0.36 3.41 0 10 THR 0.12 -0.12 1 11 ASP 0.16 0.28 1 12 ILE -0.06 -0.08 1 13 GLU 0.40 0.57 1 14 ASN 2.12 1.96 1 15 ASN 2.09 1.29 1 16 VAL -1.13 -1.62 1 17 ARG -2.36 -0.09 1 18 VAL -3.23 -1.02 1 19 VAL -0.08 -0.13 1 20 VAL -1.24 -0.89 1 21 TYR 0.27 0.31 1 22 ILE -2.53 -1.34 1 23 ARG 0.41 2.02 1 24 LYS 2.88 2.51 1 25 ASP 1.08 -0.49 1 26 VAL 0.75 0.29 1 27 GLU -0.14 -1.95 1 29 ASN -1.55 -0.41 1 30 SER -1.39 -1.40 1 31 GLN 3.57 3.04 1 32 THR -4.34 -2.58 1 33 ILE -5.38 -1.60 1 34 GLU -2.45 -1.61 1 35 LYS -2.91 -0.65 1 36 GLU 2.66 0.34 1 38 GLN -4.20 -1.99 1 39 THR 2.08 1.25 1 40 VAL -6.31 -3.25 1 41 THR 3.08 2.59 1 42 ASN -0.87 -2.02 1 43 ASN 3.17 2.43 1 44 ASP -0.35 -0.46 1 45 TYR 1.30 1.12 1 46 HIS 2.02 0.07 1 47 LYS 4.74 4.53 1 48 VAL 6.34 4.60 1 49 TYR 4.80 4.28 1 50 ASP 4.24 2.91 1 51 SER 4.84 4.25 1 52 LEU 1.76 1.88 1 53 LYS 2.82 1.13 1 54 ASN 0.23 0.18 1 55 MET 2.82 1.94 1 56 SER 3.52 2.55 1 57 THR -0.38 -0.96 1 58 VAL 0.61 0.96 1 59 LYS 0.10 1.34 1 60 SER -2.89 -0.66 1 61 VAL -2.23 -0.19 1 62 THR -1.99 -0.07 1 63 PHE 0.03 0.72 1 64 SER -2.07 -2.10 1 65 SER -2.13 -0.64 1 66 LYS 5.13 3.00 1 67 GLU 6.07 4.52 1 68 GLU 2.51 2.27 1 69 GLN 1.64 3.23 1 70 TYR 3.62 3.45 1 71 GLU 3.19 2.80 1 72 LYS 3.20 2.02 1 73 LEU 2.98 2.37 1 74 THR 4.40 3.42 1 75 GLU 2.31 2.26 1 76 ILE 1.41 1.59 1 77 MET 0.20 0.20 1 79 ASP 1.35 1.30 1 80 ASN 1.61 0.93 1 81 TRP 0.73 0.54 1 82 LYS 1.16 0.61 1 83 ILE 1.20 0.68 1 84 PHE -0.24 -0.38 1 85 GLU 0.10 0.32 1 87 ASP 0.27 0.26 1 88 ALA -0.65 -0.45 1 89 ASN -0.48 -0.41 1 91 LEU -0.28 -0.60 1 92 TYR -3.52 -1.64 1 93 ASP -0.02 1.28 1 95 TYR -2.95 -0.39 1 96 ILE 1.23 -0.35 1 97 VAL -1.71 -0.95 1 98 GLU -4.82 -2.86 1 99 ALA -4.75 -1.34 1 100 ASN 3.87 3.12 1 101 ALA -2.41 -0.50 1 103 ASN 3.39 2.25 1 104 ASP -0.22 1.56 1 105 VAL 7.06 5.76 1 106 LYS 4.35 3.07 1 107 THR 4.93 3.86 1 108 ILE 4.54 4.44 1 109 ALA 4.09 3.19 1 110 GLU 2.57 2.34 1 111 ASP 4.07 2.83 1 112 ALA 2.63 1.80 1 113 LYS 2.21 2.05 1 114 LYS 0.13 -0.04 1 115 ILE 1.82 0.66 1 116 GLU 2.46 1.81 1 118 VAL 1.50 1.20 1 119 SER -0.01 0.35 1 120 GLU -4.54 -1.27 1 121 VAL -3.64 -1.51 1 122 GLN -3.88 -1.13 1 123 ASP -2.07 -0.91 1 126 ALA 0.24 1.26 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26534_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.55 _LACS_plot.Line_1_terminator_val_y_1 4.48 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -1.01 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.46 _LACS_plot.Line_2_terminator_val_x_2 7.05 _LACS_plot.Line_2_terminator_val_y_2 -1.55 _LACS_plot.Y_axis_chem_shift_offset -0.08 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 94 ALA -7.55 5.22 0 28 ASP -0.36 3.77 0 10 THR 0.12 -0.24 1 11 ASP 0.16 0.12 1 12 ILE -0.06 -0.02 1 13 GLU 0.40 0.17 1 14 ASN 2.12 -0.16 1 15 ASN 2.09 -0.80 1 16 VAL -1.13 -0.49 1 17 ARG -2.36 2.27 1 18 VAL -3.23 2.21 1 19 VAL -0.08 -0.05 1 20 VAL -1.24 0.35 1 21 TYR 0.27 0.04 1 22 ILE -2.53 1.19 1 23 ARG 0.41 1.61 1 24 LYS 2.88 -0.37 1 25 ASP 1.08 -1.57 1 26 VAL 0.75 -0.46 1 27 GLU -0.14 -1.81 1 29 ASN -1.55 1.14 1 30 SER -1.39 -0.01 1 31 GLN 3.57 -0.53 1 32 THR -4.34 1.76 1 33 ILE -5.38 3.78 1 34 GLU -2.45 0.84 1 35 LYS -2.91 2.26 1 36 GLU 2.66 -2.32 1 38 GLN -4.20 2.21 1 39 THR 2.08 -0.83 1 40 VAL -6.31 3.06 1 41 THR 3.08 -0.49 1 42 ASN -0.87 -1.15 1 43 ASN 3.17 -0.74 1 44 ASP -0.35 -0.11 1 45 TYR 1.30 -0.18 1 46 HIS 2.02 -1.95 1 47 LYS 4.74 -0.21 1 48 VAL 6.34 -1.74 1 49 TYR 4.80 -0.52 1 50 ASP 4.24 -1.33 1 51 SER 4.84 -0.59 1 52 LEU 1.76 0.12 1 53 LYS 2.82 -1.69 1 54 ASN 0.23 -0.05 1 55 MET 2.82 -0.88 1 56 SER 3.52 -0.97 1 57 THR -0.38 -0.58 1 58 VAL 0.61 0.35 1 59 LYS 0.10 1.24 1 60 SER -2.89 2.23 1 61 VAL -2.23 2.04 1 62 THR -1.99 1.92 1 63 PHE 0.03 0.69 1 64 SER -2.07 -0.03 1 65 SER -2.13 1.49 1 66 LYS 5.13 -2.13 1 67 GLU 6.07 -1.55 1 68 GLU 2.51 -0.24 1 69 GLN 1.64 1.59 1 70 TYR 3.62 -0.17 1 71 GLU 3.19 -0.39 1 72 LYS 3.20 -1.18 1 73 LEU 2.98 -0.61 1 74 THR 4.40 -0.98 1 75 GLU 2.31 -0.05 1 76 ILE 1.41 0.18 1 77 MET 0.20 0.00 1 79 ASP 1.35 -0.05 1 80 ASN 1.61 -0.68 1 81 TRP 0.73 -0.19 1 82 LYS 1.16 -0.55 1 83 ILE 1.20 -0.52 1 84 PHE -0.24 -0.14 1 85 GLU 0.10 0.22 1 87 ASP 0.27 -0.01 1 88 ALA -0.65 0.20 1 89 ASN -0.48 0.07 1 91 LEU -0.28 -0.32 1 92 TYR -3.52 1.88 1 93 ASP -0.02 1.30 1 95 TYR -2.95 2.56 1 96 ILE 1.23 -1.58 1 97 VAL -1.71 0.76 1 98 GLU -4.82 1.96 1 99 ALA -4.75 3.41 1 100 ASN 3.87 -0.75 1 101 ALA -2.41 1.91 1 103 ASN 3.39 -1.14 1 104 ASP -0.22 1.78 1 105 VAL 7.06 -1.30 1 106 LYS 4.35 -1.28 1 107 THR 4.93 -1.07 1 108 ILE 4.54 -0.10 1 109 ALA 4.09 -0.90 1 110 GLU 2.57 -0.23 1 111 ASP 4.07 -1.24 1 112 ALA 2.63 -0.83 1 113 LYS 2.21 -0.16 1 114 LYS 0.13 -0.17 1 115 ILE 1.82 -1.16 1 116 GLU 2.46 -0.65 1 118 VAL 1.50 -0.30 1 119 SER -0.01 0.36 1 120 GLU -4.54 3.27 1 121 VAL -3.64 2.13 1 122 GLN -3.88 2.75 1 123 ASP -2.07 1.16 1 126 ALA 0.24 1.02 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26534_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.55 _LACS_plot.Line_1_terminator_val_y_1 0.81 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -0.21 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.20 _LACS_plot.Line_2_terminator_val_x_2 7.05 _LACS_plot.Line_2_terminator_val_y_2 -0.72 _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 49 TYR 4.80 -1.79 0 10 THR 0.12 -0.07 1 11 ASP 0.16 -0.02 1 12 ILE -0.06 -0.09 1 13 GLU 0.40 -0.19 1 14 ASN 2.12 -0.32 1 15 ASN 2.09 -0.20 1 16 VAL -1.13 0.29 1 17 ARG -2.36 0.68 1 18 VAL -3.23 0.28 1 19 VAL -0.08 0.34 1 20 VAL -1.24 0.14 1 21 TYR 0.27 0.51 1 22 ILE -2.53 0.52 1 23 ARG 0.41 -0.21 1 24 LYS 2.88 0.00 1 25 ASP 1.08 -0.01 1 26 VAL 0.75 0.04 1 27 GLU -0.14 0.48 1 28 ASP -0.36 -0.11 1 29 ASN -1.55 0.18 1 30 SER -1.39 0.28 1 31 GLN 3.57 -0.93 1 32 THR -4.34 0.61 1 33 ILE -5.38 0.46 1 34 GLU -2.45 0.71 1 35 LYS -2.91 0.24 1 36 GLU 2.66 -0.45 1 38 GLN -4.20 0.38 1 39 THR 2.08 0.37 1 40 VAL -6.31 0.62 1 41 THR 3.08 -0.37 1 42 ASN -0.87 -0.03 1 43 ASN 3.17 -0.21 1 44 ASP -0.35 0.24 1 45 TYR 1.30 -0.57 1 46 HIS 2.02 -0.44 1 47 LYS 4.74 -0.19 1 48 VAL 6.34 -0.55 1 50 ASP 4.24 -0.60 1 51 SER 4.84 -0.33 1 52 LEU 1.76 -0.25 1 53 LYS 2.82 -0.82 1 54 ASN 0.23 -0.22 1 55 MET 2.82 -0.19 1 56 SER 3.52 -0.29 1 57 THR -0.38 -0.11 1 58 VAL 0.61 -0.29 1 59 LYS 0.10 -0.04 1 60 SER -2.89 0.12 1 61 VAL -2.23 0.47 1 62 THR -1.99 0.53 1 63 PHE 0.03 0.27 1 64 SER -2.07 0.02 1 65 SER -2.13 -0.40 1 66 LYS 5.13 -0.36 1 67 GLU 6.07 -0.37 1 68 GLU 2.51 -0.21 1 69 GLN 1.64 -0.41 1 70 TYR 3.62 -0.49 1 71 GLU 3.19 -0.40 1 72 LYS 3.20 -0.19 1 73 LEU 2.98 -0.36 1 74 THR 4.40 -0.44 1 75 GLU 2.31 -0.29 1 76 ILE 1.41 -0.13 1 77 MET 0.20 -0.05 1 79 ASP 1.35 -0.10 1 80 ASN 1.61 -0.09 1 81 TRP 0.73 -0.14 1 82 LYS 1.16 -0.38 1 83 ILE 1.20 -0.25 1 84 PHE -0.24 0.01 1 85 GLU 0.10 -0.19 1 87 ASP 0.27 -0.05 1 88 ALA -0.65 -0.07 1 89 ASN -0.48 -0.48 1 91 LEU -0.28 -0.05 1 92 TYR -3.52 0.26 1 93 ASP -0.02 -0.27 1 94 ALA -7.55 1.01 1 95 TYR -2.95 0.62 1 96 ILE 1.23 0.13 1 97 VAL -1.71 0.46 1 98 GLU -4.82 0.58 1 99 ALA -4.75 0.27 1 100 ASN 3.87 -0.41 1 101 ALA -2.41 0.14 1 103 ASN 3.39 -0.21 1 104 ASP -0.22 0.11 1 105 VAL 7.06 -0.86 1 106 LYS 4.35 -0.26 1 107 THR 4.93 -0.37 1 108 ILE 4.54 -0.56 1 109 ALA 4.09 -0.50 1 110 GLU 2.57 -0.38 1 111 ASP 4.07 -0.22 1 112 ALA 2.63 -0.34 1 113 LYS 2.21 -0.47 1 114 LYS 0.13 -0.06 1 115 ILE 1.82 -0.34 1 116 GLU 2.46 -0.27 1 118 VAL 1.50 0.11 1 119 SER -0.01 -0.01 1 120 GLU -4.54 0.28 1 121 VAL -3.64 1.00 1 122 GLN -3.88 0.50 1 123 ASP -2.07 0.20 1 126 ALA 0.24 -0.19 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26534_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.55 _LACS_plot.Line_1_terminator_val_y_1 -3.07 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 0.47 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.03 _LACS_plot.Line_2_terminator_val_x_2 7.05 _LACS_plot.Line_2_terminator_val_y_2 2.37 _LACS_plot.Y_axis_chem_shift_offset 0.27 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 32 THR -4.34 2.11 0 94 ALA -7.55 -3.39 0 47 LYS 4.74 -3.41 0 10 THR 0.12 3.09 1 11 ASP 0.16 -2.09 1 12 ILE -0.06 -0.27 1 13 GLU 0.40 -0.26 1 14 ASN 2.12 1.67 1 15 ASN 2.09 0.82 1 16 VAL -1.13 -1.11 1 17 ARG -2.36 -2.25 1 18 VAL -3.23 -0.78 1 19 VAL -0.08 -2.64 1 20 VAL -1.24 -2.54 1 21 TYR 0.27 -1.56 1 22 ILE -2.53 -0.23 1 23 ARG 0.41 -0.36 1 24 LYS 2.88 0.74 1 25 ASP 1.08 0.92 1 26 VAL 0.75 -1.14 1 27 GLU -0.14 -1.47 1 28 ASP -0.36 1.08 1 29 ASN -1.55 1.48 1 30 SER -1.39 0.03 1 31 GLN 3.57 -2.31 1 33 ILE -5.38 -3.54 1 34 GLU -2.45 -2.98 1 35 LYS -2.91 -0.11 1 36 GLU 2.66 -0.71 1 38 GLN -4.20 -2.16 1 39 THR 2.08 -0.26 1 40 VAL -6.31 -1.53 1 41 THR 3.08 0.38 1 42 ASN -0.87 -1.53 1 44 ASP -0.35 -1.14 1 45 TYR 1.30 -0.45 1 46 HIS 2.02 1.44 1 48 VAL 6.34 3.98 1 49 TYR 4.80 1.59 1 50 ASP 4.24 -0.17 1 51 SER 4.84 4.06 1 52 LEU 1.76 -1.63 1 53 LYS 2.82 0.92 1 54 ASN 0.23 2.36 1 55 MET 2.82 -0.40 1 56 SER 3.52 3.40 1 57 THR -0.38 0.18 1 58 VAL 0.61 -2.64 1 59 LYS 0.10 -1.50 1 60 SER -2.89 2.41 1 61 VAL -2.23 -4.80 1 62 THR -1.99 -0.07 1 63 PHE 0.03 -2.31 1 64 SER -2.07 0.07 1 65 SER -2.13 -1.25 1 66 LYS 5.13 -0.57 1 67 GLU 6.07 1.86 1 68 GLU 2.51 2.09 1 69 GLN 1.64 3.38 1 70 TYR 3.62 2.47 1 71 GLU 3.19 1.14 1 72 LYS 3.20 2.45 1 73 LEU 2.98 1.14 1 74 THR 4.40 4.15 1 75 GLU 2.31 0.07 1 76 ILE 1.41 1.59 1 77 MET 0.20 1.21 1 79 ASP 1.35 -1.84 1 80 ASN 1.61 1.91 1 81 TRP 0.73 -0.89 1 82 LYS 1.16 -0.42 1 83 ILE 1.20 0.00 1 84 PHE -0.24 0.23 1 85 GLU 0.10 -1.03 1 87 ASP 0.27 -2.05 1 88 ALA -0.65 -1.84 1 89 ASN -0.48 3.21 1 91 LEU -0.28 -1.42 1 92 TYR -3.52 -0.88 1 93 ASP -0.02 0.46 1 95 TYR -2.95 -0.19 1 96 ILE 1.23 -1.72 1 97 VAL -1.71 -0.33 1 98 GLU -4.82 -3.03 1 99 ALA -4.75 -2.52 1 100 ASN 3.87 1.55 1 101 ALA -2.41 -0.68 1 103 ASN 3.39 3.91 1 104 ASP -0.22 -0.61 1 105 VAL 7.06 0.68 1 106 LYS 4.35 0.09 1 107 THR 4.93 4.14 1 108 ILE 4.54 -0.72 1 109 ALA 4.09 -0.14 1 110 GLU 2.57 2.48 1 111 ASP 4.07 3.17 1 112 ALA 2.63 2.62 1 113 LYS 2.21 1.78 1 114 LYS 0.13 0.79 1 115 ILE 1.82 0.20 1 116 GLU 2.46 -0.03 1 118 VAL 1.50 -3.15 1 119 SER -0.01 2.38 1 120 GLU -4.54 -2.12 1 121 VAL -3.64 -3.28 1 122 GLN -3.88 -0.78 1 123 ASP -2.07 -1.75 1 126 ALA 0.24 -4.76 1 stop_ save_