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 bmr27977_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -5.70 _LACS_plot.Line_1_terminator_val_y_1 -2.31 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.94 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.47 _LACS_plot.Line_2_terminator_val_x_2 7.72 _LACS_plot.Line_2_terminator_val_y_2 5.73 _LACS_plot.Y_axis_chem_shift_offset -0.06 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 92 GLU -5.70 -1.91 0 55 GLN 1.85 -0.73 0 94 PHE -5.70 -1.53 0 10 ALA 3.74 2.73 1 11 ALA 3.49 2.61 1 12 SER 4.90 3.72 1 13 ILE 5.42 5.08 1 14 MET 4.50 3.02 1 15 LYS 5.09 4.30 1 16 ILE 4.58 3.59 1 17 TYR 3.97 4.35 1 18 THR 0.73 1.80 1 19 PHE 2.53 0.59 1 20 ASN -3.28 -0.70 1 21 LYS 1.57 1.01 1 22 ASP -0.90 -1.28 1 23 GLN 3.86 2.65 1 24 ASP 4.47 3.09 1 25 ARG 4.00 2.89 1 26 VAL 6.29 4.90 1 27 LYS 4.48 3.24 1 28 LEU 2.66 2.34 1 30 VAL 6.79 4.93 1 31 ASP 3.86 3.07 1 32 THR 6.98 5.14 1 33 ILE 6.65 5.51 1 34 ALA 4.69 3.39 1 35 LYS 4.55 2.92 1 36 TYR 4.32 3.10 1 37 LEU 5.43 2.91 1 38 ASP 3.59 3.05 1 39 ASN 4.36 2.51 1 40 ILE 3.67 3.60 1 41 HIS 2.88 3.48 1 42 LEU 0.41 0.66 1 43 HIS -0.86 -0.98 1 45 GLU 0.85 -0.25 1 46 GLU -1.73 -1.30 1 47 GLU 3.34 2.71 1 48 LYS 4.82 2.84 1 49 TYR 1.85 0.48 1 50 ARG 0.35 0.31 1 51 LYS -3.04 -1.69 1 52 ILE -2.71 -0.79 1 53 LYS 0.30 0.43 1 54 LEU 5.35 3.09 1 56 ASN -1.82 0.26 1 57 LYS 4.39 3.99 1 58 VAL 5.97 4.24 1 59 PHE 4.81 4.55 1 60 GLN 4.02 3.57 1 61 GLU 1.14 1.80 1 62 ARG -1.35 0.24 1 63 ILE 2.11 1.50 1 64 ASN 1.57 2.93 1 66 LEU -2.85 -1.98 1 67 GLU 0.32 0.44 1 69 THR 4.99 3.05 1 70 HIS 5.49 5.63 1 71 GLU 4.55 3.45 1 72 PHE 4.58 4.09 1 73 PHE 7.73 5.62 1 74 GLU 2.44 1.81 1 75 ALA 2.98 1.83 1 76 ILE 1.79 0.32 1 78 PHE 0.36 0.64 1 79 GLN -4.51 -2.07 1 80 LYS 0.91 -0.13 1 81 VAL -5.35 -2.12 1 82 LEU -2.23 -1.78 1 83 LEU -3.08 -1.51 1 85 ALA -2.50 -1.03 1 86 GLN 0.58 0.50 1 87 ASP 1.65 0.96 1 88 GLN -0.18 -0.40 1 89 GLU -0.12 0.38 1 90 ASP 1.22 0.50 1 93 GLU -2.95 -0.69 1 95 TYR -1.08 -0.24 1 96 VAL -4.27 -2.34 1 97 LEU -0.26 -0.04 1 98 SER -0.45 0.13 1 99 GLU 2.78 2.14 1 100 THR 3.84 2.60 1 101 THR 5.06 3.62 1 102 LEU 2.34 1.65 1 103 ALA 0.79 0.49 1 104 GLN -0.39 -0.39 1 106 GLN 4.42 2.45 1 107 SER 3.10 2.01 1 108 LEU 2.93 2.71 1 109 GLU 2.62 2.21 1 110 ARG 4.15 2.66 1 111 HIS 2.10 3.04 1 112 LYS 5.46 3.91 1 113 GLU 3.56 2.61 1 114 GLN 4.07 3.18 1 115 LEU 4.21 2.91 1 116 LEU 1.55 1.19 1 117 ALA 1.01 0.40 1 118 ALA 0.67 0.03 1 119 GLU 0.08 1.20 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27977_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -5.70 _LACS_plot.Line_1_terminator_val_y_1 3.39 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.06 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.53 _LACS_plot.Line_2_terminator_val_x_2 7.72 _LACS_plot.Line_2_terminator_val_y_2 -1.99 _LACS_plot.Y_axis_chem_shift_offset -0.06 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 92 GLU -5.70 3.79 0 55 GLN 1.85 -2.58 0 94 PHE -5.70 4.17 0 10 ALA 3.74 -1.01 1 11 ALA 3.49 -0.88 1 12 SER 4.90 -1.18 1 13 ILE 5.42 -0.34 1 14 MET 4.50 -1.48 1 15 LYS 5.09 -0.79 1 16 ILE 4.58 -0.99 1 17 TYR 3.97 0.38 1 18 THR 0.73 1.07 1 19 PHE 2.53 -1.94 1 20 ASN -3.28 2.58 1 21 LYS 1.57 -0.56 1 22 ASP -0.90 -0.38 1 23 GLN 3.86 -1.21 1 24 ASP 4.47 -1.38 1 25 ARG 4.00 -1.11 1 26 VAL 6.29 -1.39 1 27 LYS 4.48 -1.24 1 28 LEU 2.66 -0.32 1 30 VAL 6.79 -1.86 1 31 ASP 3.86 -0.79 1 32 THR 6.98 -1.84 1 33 ILE 6.65 -1.14 1 34 ALA 4.69 -1.30 1 35 LYS 4.55 -1.63 1 36 TYR 4.32 -1.22 1 37 LEU 5.43 -2.52 1 38 ASP 3.59 -0.54 1 39 ASN 4.36 -1.85 1 40 ILE 3.67 -0.07 1 41 HIS 2.88 0.60 1 42 LEU 0.41 0.25 1 43 HIS -0.86 -0.12 1 45 GLU 0.85 -1.10 1 46 GLU -1.73 0.43 1 47 GLU 3.34 -0.63 1 48 LYS 4.82 -1.98 1 49 TYR 1.85 -1.37 1 50 ARG 0.35 -0.04 1 51 LYS -3.04 1.35 1 52 ILE -2.71 1.92 1 53 LYS 0.30 0.13 1 54 LEU 5.35 -2.26 1 56 ASN -1.82 2.08 1 57 LYS 4.39 -0.40 1 58 VAL 5.97 -1.73 1 59 PHE 4.81 -0.26 1 60 GLN 4.02 -0.45 1 61 GLU 1.14 0.66 1 62 ARG -1.35 1.59 1 63 ILE 2.11 -0.61 1 64 ASN 1.57 1.36 1 66 LEU -2.85 0.87 1 67 GLU 0.32 0.12 1 69 THR 4.99 -1.94 1 70 HIS 5.49 0.14 1 71 GLU 4.55 -1.10 1 72 PHE 4.58 -0.49 1 73 PHE 7.73 -2.11 1 74 GLU 2.44 -0.63 1 75 ALA 2.98 -1.15 1 76 ILE 1.79 -1.47 1 78 PHE 0.36 0.28 1 79 GLN -4.51 2.44 1 80 LYS 0.91 -1.04 1 81 VAL -5.35 3.23 1 82 LEU -2.23 0.45 1 83 LEU -3.08 1.57 1 85 ALA -2.50 1.47 1 86 GLN 0.58 -0.08 1 87 ASP 1.65 -0.69 1 88 GLN -0.18 -0.22 1 89 GLU -0.12 0.50 1 90 ASP 1.22 -0.72 1 93 GLU -2.95 2.26 1 95 TYR -1.08 0.84 1 96 VAL -4.27 1.93 1 97 LEU -0.26 0.22 1 98 SER -0.45 0.58 1 99 GLU 2.78 -0.64 1 100 THR 3.84 -1.24 1 101 THR 5.06 -1.44 1 102 LEU 2.34 -0.69 1 103 ALA 0.79 -0.30 1 104 GLN -0.39 0.00 1 106 GLN 4.42 -1.97 1 107 SER 3.10 -1.09 1 108 LEU 2.93 -0.22 1 109 GLU 2.62 -0.41 1 110 ARG 4.15 -1.49 1 111 HIS 2.10 0.94 1 112 LYS 5.46 -1.55 1 113 GLU 3.56 -0.95 1 114 GLN 4.07 -0.89 1 115 LEU 4.21 -1.30 1 116 LEU 1.55 -0.36 1 117 ALA 1.01 -0.61 1 118 ALA 0.67 -0.64 1 119 GLU 0.08 1.12 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27977_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -5.70 _LACS_plot.Line_1_terminator_val_y_1 0.34 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.26 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.07 _LACS_plot.Line_2_terminator_val_x_2 7.72 _LACS_plot.Line_2_terminator_val_y_2 -0.75 _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 53 LYS 0.30 -1.05 0 96 VAL -4.27 1.20 0 10 ALA 3.74 -0.45 1 11 ALA 3.49 -0.29 1 12 SER 4.90 -0.47 1 13 ILE 5.42 -0.82 1 14 MET 4.50 -0.25 1 15 LYS 5.09 -0.75 1 16 ILE 4.58 -0.66 1 17 TYR 3.97 -0.30 1 18 THR 0.73 0.22 1 19 PHE 2.53 -0.13 1 20 ASN -3.28 0.10 1 21 LYS 1.57 -0.23 1 22 ASP -0.90 0.06 1 23 GLN 3.86 -0.49 1 24 ASP 4.47 -0.24 1 25 ARG 4.00 -0.44 1 26 VAL 6.29 -0.82 1 27 LYS 4.48 -0.48 1 28 LEU 2.66 -0.21 1 30 VAL 6.79 -0.83 1 31 ASP 3.86 -0.39 1 32 THR 6.98 -0.67 1 33 ILE 6.65 -0.63 1 34 ALA 4.69 -0.62 1 35 LYS 4.55 -0.26 1 36 TYR 4.32 -0.10 1 37 LEU 5.43 -0.17 1 38 ASP 3.59 -0.27 1 39 ASN 4.36 -0.50 1 40 ILE 3.67 -0.48 1 41 HIS 2.88 -0.54 1 42 LEU 0.41 -0.59 1 43 HIS -0.86 0.18 1 45 GLU 0.85 -0.04 1 46 GLU -1.73 0.11 1 47 GLU 3.34 -0.66 1 48 LYS 4.82 -0.37 1 49 TYR 1.85 0.10 1 50 ARG 0.35 -0.07 1 51 LYS -3.04 0.91 1 52 ILE -2.71 -0.18 1 54 LEU 5.35 -1.34 1 55 GLN 1.85 -0.23 1 56 ASN -1.82 -0.25 1 57 LYS 4.39 -0.42 1 58 VAL 5.97 -0.45 1 59 PHE 4.81 -0.84 1 60 GLN 4.02 -0.50 1 61 GLU 1.14 -0.31 1 62 ARG -1.35 0.04 1 63 ILE 2.11 -0.20 1 64 ASN 1.57 -0.48 1 66 LEU -2.85 0.12 1 67 GLU 0.32 -0.13 1 69 THR 4.99 -0.67 1 70 HIS 5.49 -0.24 1 71 GLU 4.55 -0.50 1 72 PHE 4.58 -0.32 1 73 PHE 7.73 -1.13 1 74 GLU 2.44 0.26 1 75 ALA 2.98 -0.39 1 76 ILE 1.79 -0.28 1 78 PHE 0.36 0.23 1 79 GLN -4.51 0.48 1 80 LYS 0.91 0.56 1 81 VAL -5.35 0.32 1 82 LEU -2.23 0.53 1 83 LEU -3.08 0.18 1 85 ALA -2.50 0.03 1 86 GLN 0.58 -0.21 1 87 ASP 1.65 -0.29 1 88 GLN -0.18 -0.01 1 89 GLU -0.12 -0.20 1 90 ASP 1.22 -0.16 1 92 GLU -5.70 0.08 1 93 GLU -2.95 0.43 1 94 PHE -5.70 0.38 1 95 TYR -1.08 0.70 1 97 LEU -0.26 -0.68 1 98 SER -0.45 -0.21 1 99 GLU 2.78 -0.42 1 100 THR 3.84 -0.35 1 101 THR 5.06 -0.39 1 102 LEU 2.34 -0.47 1 103 ALA 0.79 -0.14 1 104 GLN -0.39 0.07 1 106 GLN 4.42 -0.22 1 107 SER 3.10 -0.62 1 108 LEU 2.93 -0.28 1 109 GLU 2.62 -0.52 1 110 ARG 4.15 -0.34 1 111 HIS 2.10 -0.12 1 112 LYS 5.46 -0.66 1 113 GLU 3.56 -0.53 1 114 GLN 4.07 -0.42 1 115 LEU 4.21 -0.46 1 116 LEU 1.55 -0.44 1 117 ALA 1.01 -0.23 1 118 ALA 0.67 -0.57 1 119 GLU 0.08 -0.60 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27977_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -5.70 _LACS_plot.Line_1_terminator_val_y_1 -2.09 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.92 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.58 _LACS_plot.Line_2_terminator_val_x_2 7.72 _LACS_plot.Line_2_terminator_val_y_2 2.92 _LACS_plot.Y_axis_chem_shift_offset -0.14 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 119 GLU 0.08 4.16 0 10 ALA 3.74 3.00 1 11 ALA 3.49 2.60 1 12 SER 4.90 1.22 1 13 ILE 5.42 1.06 1 14 MET 4.50 3.77 1 15 LYS 5.09 1.42 1 16 ILE 4.58 2.25 1 17 TYR 3.97 1.98 1 18 THR 0.73 1.69 1 19 PHE 2.53 -0.53 1 20 ASN -3.28 -1.43 1 21 LYS 1.57 0.07 1 22 ASP -0.90 -0.06 1 23 GLN 3.86 2.41 1 24 ASP 4.47 2.89 1 25 ARG 4.00 4.03 1 26 VAL 6.29 0.49 1 27 LYS 4.48 1.62 1 28 LEU 2.66 2.97 1 30 VAL 6.79 1.30 1 33 ILE 6.65 1.20 1 34 ALA 4.69 0.72 1 35 LYS 4.55 2.93 1 36 TYR 4.32 4.55 1 37 LEU 5.43 2.07 1 38 ASP 3.59 2.08 1 39 ASN 4.36 2.11 1 40 ILE 3.67 0.78 1 41 HIS 2.88 3.00 1 42 LEU 0.41 -0.38 1 43 HIS -0.86 0.58 1 45 GLU 0.85 -0.29 1 46 GLU -1.73 -0.45 1 47 GLU 3.34 2.07 1 48 LYS 4.82 1.14 1 49 TYR 1.85 -0.42 1 50 ARG 0.35 -3.03 1 51 LYS -3.04 -1.88 1 52 ILE -2.71 -1.74 1 53 LYS 0.30 -0.17 1 54 LEU 5.35 1.12 1 55 GLN 1.85 -0.31 1 56 ASN -1.82 0.22 1 57 LYS 4.39 1.36 1 58 VAL 5.97 1.70 1 59 PHE 4.81 4.36 1 60 GLN 4.02 1.81 1 61 GLU 1.14 1.81 1 62 ARG -1.35 -0.34 1 63 ILE 2.11 1.44 1 64 ASN 1.57 -1.24 1 66 LEU -2.85 -1.24 1 67 GLU 0.32 1.17 1 69 THR 4.99 2.35 1 70 HIS 5.49 3.24 1 71 GLU 4.55 2.68 1 72 PHE 4.58 0.32 1 73 PHE 7.73 2.49 1 74 GLU 2.44 3.71 1 75 ALA 2.98 1.55 1 76 ILE 1.79 -0.89 1 78 PHE 0.36 -0.19 1 79 GLN -4.51 -0.92 1 80 LYS 0.91 -0.31 1 81 VAL -5.35 -2.74 1 82 LEU -2.23 -0.95 1 83 LEU -3.08 -1.48 1 85 ALA -2.50 -0.34 1 86 GLN 0.58 0.01 1 87 ASP 1.65 -1.01 1 88 GLN -0.18 -0.63 1 89 GLU -0.12 -0.12 1 90 ASP 1.22 -0.80 1 92 GLU -5.70 -1.71 1 93 GLU -2.95 -0.19 1 94 PHE -5.70 -0.29 1 95 TYR -1.08 0.25 1 96 VAL -4.27 0.18 1 97 LEU -0.26 -1.69 1 98 SER -0.45 0.17 1 99 GLU 2.78 2.02 1 100 THR 3.84 1.78 1 101 THR 5.06 1.38 1 102 LEU 2.34 -0.57 1 103 ALA 0.79 -0.18 1 104 GLN -0.39 -0.22 1 106 GLN 4.42 2.02 1 107 SER 3.10 0.62 1 108 LEU 2.93 1.21 1 109 GLU 2.62 1.95 1 110 ARG 4.15 3.25 1 111 HIS 2.10 3.38 1 112 LYS 5.46 1.09 1 113 GLU 3.56 3.14 1 114 GLN 4.07 2.60 1 115 LEU 4.21 0.54 1 116 LEU 1.55 0.19 1 117 ALA 1.01 -0.63 1 118 ALA 0.67 -2.13 1 stop_ save_