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 bmr36048_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.52 _LACS_plot.Line_1_terminator_val_y_1 -2.39 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 0.61 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.48 _LACS_plot.Line_2_terminator_val_x_2 6.82 _LACS_plot.Line_2_terminator_val_y_2 4.84 _LACS_plot.Y_axis_chem_shift_offset 0.07 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 73 HIS -4.08 0.95 0 99 HIS 3.63 5.54 0 10 ALA -4.49 -2.22 1 11 ILE 2.81 0.45 1 12 ILE 1.29 0.99 1 13 PHE -3.28 -1.05 1 14 SER -0.97 -0.49 1 15 ASP 3.34 2.02 1 16 ASN 1.91 1.23 1 17 LYS -5.24 -1.43 1 18 ILE -5.38 -2.72 1 19 LEU 4.53 1.74 1 21 ALA -4.23 -2.16 1 22 GLN 0.08 -1.31 1 23 ARG 2.42 1.96 1 24 SER -2.24 -0.85 1 25 GLU 3.66 2.66 1 26 LYS -0.20 -0.55 1 27 MET -2.55 -0.43 1 28 SER 0.45 -0.05 1 29 LEU 4.10 1.80 1 31 LEU 5.13 1.51 1 32 MET -0.26 0.64 1 33 TRP -0.07 -0.96 1 34 GLU -5.03 -2.37 1 35 PHE 0.43 -1.39 1 39 LYS 0.01 0.55 1 40 VAL -0.39 -0.82 1 41 GLU -1.22 -0.79 1 42 LYS 3.46 2.59 1 43 ASN 2.00 0.61 1 44 GLU -4.13 -1.48 1 45 THR -2.00 -0.82 1 46 GLU 6.45 5.34 1 47 LYS 4.87 3.97 1 48 ASP 4.31 3.04 1 49 ALA 0.88 2.71 1 50 LEU 4.33 2.50 1 51 ILE 5.52 4.87 1 52 ARG 6.50 4.04 1 53 GLU 4.15 2.99 1 54 ILE 5.21 4.20 1 55 ARG 3.17 3.18 1 56 GLU 1.56 2.05 1 57 GLU 0.27 0.45 1 58 MET -0.86 0.90 1 59 LYS 3.36 -0.02 1 61 ASP -0.25 -1.21 1 62 LEU -1.85 0.50 1 63 ILE -0.12 -0.44 1 64 VAL 2.66 1.63 1 66 ASP -0.68 0.34 1 67 LYS 1.22 0.97 1 68 VAL 4.70 2.49 1 69 ILE -3.82 -0.37 1 70 THR -0.11 0.76 1 71 THR -3.77 -0.60 1 72 GLU -3.42 -1.82 1 74 GLU 0.42 -0.40 1 75 TYR -2.65 -1.05 1 76 ASP 4.55 3.11 1 77 PHE -0.56 -1.82 1 79 ILE -0.40 -0.25 1 80 VAL -2.43 -0.93 1 81 ARG -1.76 -1.35 1 82 LEU -4.16 -1.72 1 83 THR 0.15 0.31 1 84 THR -6.52 -4.04 1 85 TYR -4.38 -0.80 1 86 LYS 1.06 1.40 1 88 THR -2.47 -0.59 1 89 LEU -0.06 0.82 1 90 ASN -0.24 -0.83 1 91 LYS 1.84 2.18 1 92 GLU -4.31 -1.95 1 93 LEU -0.06 -0.12 1 95 THR 1.78 1.57 1 96 LEU -0.70 -1.57 1 97 THR 2.52 2.23 1 98 GLU -0.48 -0.08 1 100 LYS -0.33 1.40 1 101 SER -3.24 -1.35 1 102 ILE -3.71 -1.32 1 103 GLU -6.42 -1.65 1 104 TRP -2.19 -2.01 1 105 LEU -4.92 -1.43 1 106 SER 0.58 0.83 1 107 ILE 4.42 4.23 1 108 ASN 2.13 1.26 1 109 GLU -2.67 -1.29 1 110 LEU 3.16 3.20 1 111 ASP 1.96 0.14 1 112 LYS 1.96 1.07 1 113 LEU -0.93 -1.82 1 114 ASN 0.02 -1.64 1 115 TRP -0.86 0.41 1 116 ALA 1.88 0.21 1 118 ALA 2.78 1.94 1 119 ASP 1.68 0.44 1 120 ILE 3.96 3.20 1 122 ALA 6.83 4.96 1 123 VAL 3.69 2.95 1 124 ASN 4.14 3.39 1 125 LYS 3.84 1.14 1 126 ILE 3.62 4.49 1 127 MET 1.83 2.07 1 128 THR 0.52 0.92 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr36048_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.52 _LACS_plot.Line_1_terminator_val_y_1 4.13 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -1.38 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.52 _LACS_plot.Line_2_terminator_val_x_2 6.82 _LACS_plot.Line_2_terminator_val_y_2 -1.98 _LACS_plot.Y_axis_chem_shift_offset 0.07 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 73 HIS -4.08 5.03 0 99 HIS 3.63 1.91 0 10 ALA -4.49 2.27 1 11 ILE 2.81 -2.36 1 12 ILE 1.29 -0.30 1 13 PHE -3.28 2.23 1 14 SER -0.97 0.48 1 15 ASP 3.34 -1.32 1 16 ASN 1.91 -0.68 1 17 LYS -5.24 3.81 1 18 ILE -5.38 2.66 1 19 LEU 4.53 -2.79 1 21 ALA -4.23 2.07 1 22 GLN 0.08 -1.39 1 23 ARG 2.42 -0.46 1 24 SER -2.24 1.39 1 25 GLU 3.66 -1.00 1 26 LYS -0.20 -0.35 1 27 MET -2.55 2.12 1 28 SER 0.45 -0.50 1 29 LEU 4.10 -2.30 1 31 LEU 5.13 -3.62 1 32 MET -0.26 0.90 1 33 TRP -0.07 -0.89 1 34 GLU -5.03 2.66 1 35 PHE 0.43 -1.82 1 39 LYS 0.01 0.54 1 40 VAL -0.39 -0.43 1 41 GLU -1.22 0.43 1 42 LYS 3.46 -0.87 1 43 ASN 2.00 -1.39 1 44 GLU -4.13 2.65 1 45 THR -2.00 1.18 1 46 GLU 6.45 -1.11 1 47 LYS 4.87 -0.90 1 48 ASP 4.31 -1.27 1 49 ALA 0.88 1.83 1 50 LEU 4.33 -1.83 1 51 ILE 5.52 -0.65 1 52 ARG 6.50 -2.46 1 53 GLU 4.15 -1.16 1 54 ILE 5.21 -1.01 1 55 ARG 3.17 0.01 1 56 GLU 1.56 0.49 1 57 GLU 0.27 0.18 1 58 MET -0.86 1.76 1 59 LYS 3.36 -3.38 1 61 ASP -0.25 -0.96 1 62 LEU -1.85 2.35 1 63 ILE -0.12 -0.32 1 64 VAL 2.66 -1.03 1 66 ASP -0.68 1.02 1 67 LYS 1.22 -0.25 1 68 VAL 4.70 -2.21 1 69 ILE -3.82 3.45 1 70 THR -0.11 0.87 1 71 THR -3.77 3.17 1 72 GLU -3.42 1.60 1 74 GLU 0.42 -0.82 1 75 TYR -2.65 1.60 1 76 ASP 4.55 -1.44 1 77 PHE -0.56 -1.26 1 79 ILE -0.40 0.15 1 80 VAL -2.43 1.50 1 81 ARG -1.76 0.41 1 82 LEU -4.16 2.44 1 83 THR 0.15 0.16 1 84 THR -6.52 2.48 1 85 TYR -4.38 3.58 1 86 LYS 1.06 0.34 1 88 THR -2.47 1.88 1 89 LEU -0.06 0.88 1 90 ASN -0.24 -0.59 1 91 LYS 1.84 0.34 1 92 GLU -4.31 2.36 1 93 LEU -0.06 -0.06 1 95 THR 1.78 -0.21 1 96 LEU -0.70 -0.87 1 97 THR 2.52 -0.29 1 98 GLU -0.48 0.40 1 100 LYS -0.33 1.73 1 101 SER -3.24 1.89 1 102 ILE -3.71 2.39 1 103 GLU -6.42 4.77 1 104 TRP -2.19 0.18 1 105 LEU -4.92 3.49 1 106 SER 0.58 0.25 1 107 ILE 4.42 -0.19 1 108 ASN 2.13 -0.87 1 109 GLU -2.67 1.38 1 110 LEU 3.16 0.04 1 111 ASP 1.96 -1.82 1 112 LYS 1.96 -0.89 1 113 LEU -0.93 -0.89 1 114 ASN 0.02 -1.66 1 115 TRP -0.86 1.27 1 116 ALA 1.88 -1.67 1 118 ALA 2.78 -0.84 1 119 ASP 1.68 -1.24 1 120 ILE 3.96 -0.76 1 122 ALA 6.83 -1.87 1 123 VAL 3.69 -0.74 1 124 ASN 4.14 -0.75 1 125 LYS 3.84 -2.70 1 126 ILE 3.62 0.87 1 127 MET 1.83 0.24 1 128 THR 0.52 0.40 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr36048_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.52 _LACS_plot.Line_1_terminator_val_y_1 0.82 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -0.19 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.28 _LACS_plot.Line_2_terminator_val_x_2 6.82 _LACS_plot.Line_2_terminator_val_y_2 -0.75 _LACS_plot.Y_axis_chem_shift_offset -0.05 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 22 GLN 0.08 -0.86 0 73 HIS -4.08 -0.27 0 83 THR 0.15 1.04 0 70 THR -0.11 1.08 0 10 ALA -4.49 0.51 1 11 ILE 2.81 -0.30 1 12 ILE 1.29 -0.09 1 13 PHE -3.28 0.92 1 14 SER -0.97 0.01 1 15 ASP 3.34 -0.42 1 16 ASN 1.91 -0.11 1 17 LYS -5.24 0.66 1 18 ILE -5.38 1.11 1 19 LEU 4.53 -0.89 1 21 ALA -4.23 0.81 1 23 ARG 2.42 -0.56 1 24 SER -2.24 -0.24 1 25 GLU 3.66 -0.34 1 26 LYS -0.20 -0.03 1 27 MET -2.55 -0.20 1 28 SER 0.45 -0.34 1 29 LEU 4.10 -0.70 1 31 LEU 5.13 -0.47 1 32 MET -0.26 0.22 1 33 TRP -0.07 0.14 1 34 GLU -5.03 0.47 1 35 PHE 0.43 0.47 1 39 LYS 0.01 0.31 1 40 VAL -0.39 -0.17 1 41 GLU -1.22 0.11 1 42 LYS 3.46 -0.27 1 43 ASN 2.00 -0.16 1 44 GLU -4.13 0.35 1 45 THR -2.00 0.14 1 46 GLU 6.45 -0.48 1 47 LYS 4.87 -1.02 1 48 ASP 4.31 -0.33 1 49 ALA 0.88 -0.20 1 50 LEU 4.33 -0.49 1 51 ILE 5.52 -0.70 1 52 ARG 6.50 -0.30 1 53 GLU 4.15 -0.43 1 54 ILE 5.21 -0.52 1 55 ARG 3.17 0.01 1 56 GLU 1.56 -0.10 1 57 GLU 0.27 0.32 1 58 MET -0.86 0.68 1 59 LYS 3.36 -0.24 1 61 ASP -0.25 0.12 1 62 LEU -1.85 -0.01 1 63 ILE -0.12 0.02 1 64 VAL 2.66 0.13 1 66 ASP -0.68 -0.03 1 67 LYS 1.22 -0.87 1 68 VAL 4.70 -0.26 1 69 ILE -3.82 0.20 1 71 THR -3.77 0.26 1 72 GLU -3.42 1.16 1 74 GLU 0.42 -0.19 1 75 TYR -2.65 0.33 1 76 ASP 4.55 -0.40 1 77 PHE -0.56 0.14 1 79 ILE -0.40 0.32 1 80 VAL -2.43 0.74 1 81 ARG -1.76 0.78 1 82 LEU -4.16 0.99 1 84 THR -6.52 1.13 1 85 TYR -4.38 0.26 1 86 LYS 1.06 0.49 1 88 THR -2.47 0.69 1 89 LEU -0.06 -0.03 1 90 ASN -0.24 0.28 1 91 LYS 1.84 -0.02 1 92 GLU -4.31 0.29 1 93 LEU -0.06 -0.12 1 95 THR 1.78 -0.16 1 96 LEU -0.70 0.54 1 97 THR 2.52 -0.22 1 98 GLU -0.48 -0.03 1 99 HIS 3.63 -0.71 1 100 LYS -0.33 -0.23 1 101 SER -3.24 0.21 1 102 ILE -3.71 0.90 1 103 GLU -6.42 0.37 1 104 TRP -2.19 0.57 1 105 LEU -4.92 0.53 1 106 SER 0.58 0.27 1 107 ILE 4.42 -0.58 1 108 ASN 2.13 -0.16 1 109 GLU -2.67 0.31 1 110 LEU 3.16 -0.33 1 111 ASP 1.96 -0.23 1 112 LYS 1.96 -0.14 1 113 LEU -0.93 -0.46 1 114 ASN 0.02 0.17 1 115 TRP -0.86 -0.22 1 116 ALA 1.88 0.13 1 118 ALA 2.78 -0.53 1 119 ASP 1.68 -0.31 1 120 ILE 3.96 -0.55 1 122 ALA 6.83 -1.10 1 123 VAL 3.69 -0.46 1 124 ASN 4.14 -0.35 1 125 LYS 3.84 -0.23 1 126 ILE 3.62 -0.51 1 127 MET 1.83 -0.07 1 128 THR 0.52 -0.04 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr36048_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.52 _LACS_plot.Line_1_terminator_val_y_1 -1.88 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 0.07 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.89 _LACS_plot.Line_2_terminator_val_x_2 6.82 _LACS_plot.Line_2_terminator_val_y_2 1.29 _LACS_plot.Y_axis_chem_shift_offset 0.39 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 53 GLU 4.15 3.45 0 84 THR -6.52 -0.08 0 13 PHE -3.28 1.92 0 19 LEU 4.53 -2.35 0 69 ILE -3.82 -4.44 0 10 ALA -4.49 -2.93 1 11 ILE 2.81 -2.44 1 12 ILE 1.29 -2.08 1 14 SER -0.97 0.72 1 15 ASP 3.34 -1.46 1 16 ASN 1.91 -1.51 1 17 LYS -5.24 -2.23 1 18 ILE -5.38 -0.37 1 21 ALA -4.23 -3.47 1 22 GLN 0.08 -0.15 1 23 ARG 2.42 0.29 1 24 SER -2.24 -0.66 1 25 GLU 3.66 0.33 1 26 LYS -0.20 -0.31 1 27 MET -2.55 0.20 1 28 SER 0.45 -0.69 1 31 LEU 5.13 -0.87 1 32 MET -0.26 -1.23 1 33 TRP -0.07 -1.72 1 34 GLU -5.03 -2.58 1 39 LYS 0.01 -1.34 1 40 VAL -0.39 1.12 1 41 GLU -1.22 0.39 1 42 LYS 3.46 0.68 1 43 ASN 2.00 -1.23 1 44 GLU -4.13 -0.04 1 45 THR -2.00 0.51 1 46 GLU 6.45 1.04 1 47 LYS 4.87 1.21 1 48 ASP 4.31 3.29 1 49 ALA 0.88 0.95 1 50 LEU 4.33 0.55 1 51 ILE 5.52 1.85 1 52 ARG 6.50 1.89 1 54 ILE 5.21 0.23 1 55 ARG 3.17 2.88 1 56 GLU 1.56 1.04 1 57 GLU 0.27 1.13 1 58 MET -0.86 0.31 1 59 LYS 3.36 -0.86 1 61 ASP -0.25 -0.77 1 62 LEU -1.85 -2.03 1 63 ILE -0.12 0.70 1 64 VAL 2.66 -0.29 1 66 ASP -0.68 -0.30 1 67 LYS 1.22 -0.13 1 68 VAL 4.70 -1.46 1 70 THR -0.11 -0.62 1 71 THR -3.77 -2.31 1 72 GLU -3.42 -1.23 1 73 HIS -4.08 -1.63 1 74 GLU 0.42 -2.28 1 76 ASP 4.55 1.24 1 77 PHE -0.56 -0.36 1 79 ILE -0.40 -1.16 1 80 VAL -2.43 -2.10 1 81 ARG -1.76 -2.82 1 82 LEU -4.16 -1.13 1 83 THR 0.15 -1.21 1 85 TYR -4.38 -0.08 1 86 LYS 1.06 -0.38 1 88 THR -2.47 -1.16 1 89 LEU -0.06 -1.48 1 90 ASN -0.24 -0.93 1 91 LYS 1.84 0.65 1 92 GLU -4.31 -0.70 1 95 THR 1.78 -1.28 1 96 LEU -0.70 -0.03 1 97 THR 2.52 1.29 1 98 GLU -0.48 0.56 1 99 HIS 3.63 0.84 1 100 LYS -0.33 -0.29 1 101 SER -3.24 -2.92 1 102 ILE -3.71 -1.05 1 103 GLU -6.42 -2.53 1 104 TRP -2.19 -0.08 1 105 LEU -4.92 -0.84 1 106 SER 0.58 1.14 1 107 ILE 4.42 -0.25 1 108 ASN 2.13 0.50 1 109 GLU -2.67 0.29 1 110 LEU 3.16 -0.21 1 111 ASP 1.96 0.38 1 112 LYS 1.96 0.22 1 113 LEU -0.93 -2.19 1 114 ASN 0.02 -0.94 1 115 TRP -0.86 0.69 1 118 ALA 2.78 -1.48 1 119 ASP 1.68 -1.36 1 122 ALA 3.96 0.60 1 123 VAL 6.83 1.62 1 124 ASN 3.69 2.88 1 125 LYS 4.14 2.27 1 126 ILE 3.84 2.37 1 127 MET 3.62 1.78 1 128 THR 1.83 0.84 1 129 GLU 0.52 0.12 1 stop_ save_