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 bmr25584_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.09 _LACS_plot.Line_1_terminator_val_y_1 -2.22 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.60 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.33 _LACS_plot.Line_2_terminator_val_x_2 6.13 _LACS_plot.Line_2_terminator_val_y_2 4.76 _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 59 MET -6.82 -0.41 0 45 ILE -0.99 -3.20 0 10 GLU 3.33 0.23 1 11 LYS 5.24 2.32 1 12 VAL -1.87 -0.42 1 13 SER 1.57 1.48 1 15 ILE -4.67 -1.73 1 16 ILE -4.11 -1.18 1 17 ALA -4.23 -1.08 1 18 ILE -0.64 -0.37 1 19 ASN -2.18 -1.42 1 20 GLU -1.69 -0.62 1 21 ASP 1.88 1.39 1 22 VAL -4.19 -3.04 1 23 SER -4.14 -2.63 1 25 ALA -1.41 0.12 1 26 GLU -7.09 -2.43 1 27 LEU -4.61 -1.30 1 28 THR -2.26 -0.53 1 29 TRP -4.13 -1.59 1 30 ARG -5.54 -2.59 1 31 SER -0.57 -0.18 1 32 THR 5.84 4.54 1 33 ASP 0.20 0.18 1 35 ASP 0.62 0.68 1 36 LYS -3.30 -0.58 1 37 VAL -4.97 -1.89 1 38 HIS -3.99 1.09 1 39 THR -1.24 -0.24 1 40 VAL -3.31 -1.79 1 41 VAL 3.27 1.40 1 42 LEU 5.24 3.58 1 43 SER 3.65 1.20 1 44 THR 0.27 0.34 1 46 ASP -2.91 0.71 1 47 LYS -4.99 -1.49 1 48 LEU -4.51 -1.73 1 49 GLN -4.55 -1.40 1 50 ALA -6.79 -2.33 1 51 THR 1.63 -0.56 1 53 ALA 3.37 2.28 1 54 SER 0.54 -0.25 1 55 SER -1.06 -0.78 1 56 GLU 1.71 1.25 1 57 LYS -1.22 -0.88 1 58 MET -2.36 -0.35 1 60 LEU -6.87 -1.80 1 61 ARG -4.97 -1.44 1 62 LEU -1.39 -0.71 1 63 ILE -1.34 -1.36 1 65 LYS -0.94 0.39 1 66 VAL -0.69 -0.19 1 67 ASP -1.00 -1.08 1 68 GLU 1.29 1.11 1 69 SER 2.15 1.72 1 70 LYS -0.22 -0.75 1 71 LYS 0.19 0.39 1 72 ARG -2.22 -0.92 1 73 LYS -2.40 -0.85 1 74 ASP -1.26 -1.27 1 75 ASN 2.41 1.74 1 76 GLU -0.72 -0.32 1 78 ASN -0.40 -0.23 1 79 GLU -0.60 0.14 1 80 VAL -1.50 -0.75 1 81 VAL -0.59 -0.22 1 83 LYS -0.23 -0.37 1 85 GLN -0.05 0.34 1 86 ARG -3.76 -1.39 1 87 HIS -5.12 -0.68 1 88 MET -3.38 -0.55 1 89 PHE -5.85 -1.23 1 90 SER -2.64 -1.44 1 91 PHE -4.28 -0.33 1 92 ASN -1.86 -0.82 1 93 ASN -2.88 -0.05 1 94 ARG 4.07 3.36 1 95 THR 6.02 4.58 1 96 VAL 4.51 3.80 1 97 MET 4.64 4.33 1 98 ASP 4.61 3.38 1 99 ASN 3.54 3.02 1 100 ILE 4.70 1.75 1 101 LYS 4.62 4.28 1 102 MET 3.95 3.29 1 103 THR 6.13 4.35 1 104 LEU 2.48 3.00 1 105 GLN 4.42 3.61 1 106 GLN 4.00 3.10 1 107 ILE 4.16 4.53 1 108 ILE 4.95 4.60 1 109 SER 4.40 3.51 1 110 ARG 3.53 2.52 1 111 TYR 1.09 -0.12 1 112 LYS 1.42 1.21 1 113 ASP 0.65 0.67 1 114 ALA 0.31 0.49 1 115 ASP 0.17 0.41 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25584_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.09 _LACS_plot.Line_1_terminator_val_y_1 4.87 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.40 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.67 _LACS_plot.Line_2_terminator_val_x_2 6.13 _LACS_plot.Line_2_terminator_val_y_2 -1.37 _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 59 MET -6.82 6.41 0 45 ILE -0.99 -2.21 0 10 GLU 3.33 -3.10 1 11 LYS 5.24 -2.92 1 12 VAL -1.87 1.45 1 13 SER 1.57 -0.09 1 15 ILE -4.67 2.94 1 16 ILE -4.11 2.93 1 17 ALA -4.23 3.15 1 18 ILE -0.64 0.27 1 19 ASN -2.18 0.76 1 20 GLU -1.69 1.07 1 21 ASP 1.88 -0.49 1 22 VAL -4.19 1.15 1 23 SER -4.14 1.51 1 25 ALA -1.41 1.53 1 26 GLU -7.09 4.66 1 27 LEU -4.61 3.31 1 28 THR -2.26 1.73 1 29 TRP -4.13 2.54 1 30 ARG -5.54 2.95 1 31 SER -0.57 0.39 1 32 THR 5.84 -1.30 1 33 ASP 0.20 -0.02 1 35 ASP 0.62 0.06 1 36 LYS -3.30 2.72 1 37 VAL -4.97 3.08 1 38 HIS -3.99 5.08 1 39 THR -1.24 1.00 1 40 VAL -3.31 1.52 1 41 VAL 3.27 -1.87 1 42 LEU 5.24 -1.66 1 43 SER 3.65 -2.45 1 44 THR 0.27 0.07 1 46 ASP -2.91 3.62 1 47 LYS -4.99 3.50 1 48 LEU -4.51 2.78 1 49 GLN -4.55 3.15 1 50 ALA -6.79 4.46 1 51 THR 1.63 -2.19 1 53 ALA 3.37 -1.09 1 54 SER 0.54 -0.79 1 55 SER -1.06 0.28 1 56 GLU 1.71 -0.46 1 57 LYS -1.22 0.34 1 58 MET -2.36 2.01 1 60 LEU -6.87 5.07 1 61 ARG -4.97 3.53 1 62 LEU -1.39 0.68 1 63 ILE -1.34 -0.02 1 65 LYS -0.94 1.33 1 66 VAL -0.69 0.50 1 67 ASP -1.00 -0.08 1 68 GLU 1.29 -0.18 1 69 SER 2.15 -0.43 1 70 LYS -0.22 -0.53 1 71 LYS 0.19 0.20 1 72 ARG -2.22 1.30 1 73 LYS -2.40 1.55 1 74 ASP -1.26 -0.01 1 75 ASN 2.41 -0.67 1 76 GLU -0.72 0.40 1 78 ASN -0.40 0.17 1 79 GLU -0.60 0.74 1 80 VAL -1.50 0.75 1 81 VAL -0.59 0.37 1 83 LYS -0.23 -0.14 1 85 GLN -0.05 0.39 1 86 ARG -3.76 2.37 1 87 HIS -5.12 4.44 1 88 MET -3.38 2.83 1 89 PHE -5.85 4.62 1 90 SER -2.64 1.20 1 91 PHE -4.28 3.95 1 92 ASN -1.86 1.04 1 93 ASN -2.88 2.83 1 94 ARG 4.07 -0.71 1 95 THR 6.02 -1.44 1 96 VAL 4.51 -0.71 1 97 MET 4.64 -0.31 1 98 ASP 4.61 -1.23 1 99 ASN 3.54 -0.52 1 100 ILE 4.70 -2.95 1 101 LYS 4.62 -0.34 1 102 MET 3.95 -0.66 1 103 THR 6.13 -1.78 1 104 LEU 2.48 0.52 1 105 GLN 4.42 -0.81 1 106 GLN 4.00 -0.90 1 107 ILE 4.16 0.37 1 108 ILE 4.95 -0.35 1 109 SER 4.40 -0.89 1 110 ARG 3.53 -1.01 1 111 TYR 1.09 -1.21 1 112 LYS 1.42 -0.21 1 113 ASP 0.65 0.02 1 114 ALA 0.31 0.18 1 115 ASP 0.17 0.24 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25584_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.09 _LACS_plot.Line_1_terminator_val_y_1 0.92 _LACS_plot.Line_1_terminator_val_x_2 2.00 _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 0.26 _LACS_plot.Line_2_terminator_val_x_2 6.13 _LACS_plot.Line_2_terminator_val_y_2 -0.62 _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 97 MET 4.64 -2.12 0 10 GLU 3.33 -1.14 1 11 LYS 5.24 -0.90 1 12 VAL -1.87 0.30 1 13 SER 1.57 0.15 1 15 ILE -4.67 0.65 1 16 ILE -4.11 0.80 1 17 ALA -4.23 0.79 1 18 ILE -0.64 0.39 1 19 ASN -2.18 0.33 1 20 GLU -1.69 0.34 1 21 ASP 1.88 -0.03 1 22 VAL -4.19 0.20 1 23 SER -4.14 -0.05 1 25 ALA -1.41 0.19 1 26 GLU -7.09 0.69 1 27 LEU -4.61 0.68 1 28 THR -2.26 0.87 1 29 TRP -4.13 0.77 1 30 ARG -5.54 0.49 1 31 SER -0.57 -0.36 1 32 THR 5.84 -0.50 1 33 ASP 0.20 -0.02 1 35 ASP 0.62 -0.13 1 36 LYS -3.30 0.50 1 37 VAL -4.97 1.16 1 38 HIS -3.99 0.34 1 39 THR -1.24 0.80 1 40 VAL -3.31 -0.21 1 41 VAL 3.27 -0.16 1 42 LEU 5.24 -0.40 1 43 SER 3.65 -0.56 1 44 THR 0.27 0.16 1 45 ILE -0.99 0.14 1 46 ASP -2.91 0.03 1 47 LYS -4.99 0.39 1 48 LEU -4.51 0.86 1 49 GLN -4.55 0.52 1 50 ALA -6.79 1.41 1 51 THR 1.63 -0.89 1 53 ALA 3.37 -0.33 1 54 SER 0.54 -0.25 1 55 SER -1.06 0.00 1 56 GLU 1.71 -0.22 1 57 LYS -1.22 -0.04 1 58 MET -2.36 -0.19 1 59 MET -6.82 1.32 1 60 LEU -6.87 1.26 1 61 ARG -4.97 1.11 1 62 LEU -1.39 0.70 1 63 ILE -1.34 0.42 1 65 LYS -0.94 -0.03 1 66 VAL -0.69 -0.02 1 67 ASP -1.00 0.07 1 68 GLU 1.29 -0.24 1 69 SER 2.15 -0.16 1 70 LYS -0.22 0.08 1 71 LYS 0.19 0.08 1 72 ARG -2.22 0.24 1 73 LYS -2.40 0.57 1 74 ASP -1.26 0.00 1 75 ASN 2.41 -0.20 1 76 GLU -0.72 0.03 1 78 ASN -0.40 0.00 1 79 GLU -0.60 0.11 1 80 VAL -1.50 0.13 1 81 VAL -0.59 -0.01 1 83 LYS -0.23 -0.07 1 85 GLN -0.05 -0.18 1 86 ARG -3.76 0.80 1 87 HIS -5.12 0.01 1 88 MET -3.38 0.88 1 89 PHE -5.85 0.61 1 90 SER -2.64 1.24 1 91 PHE -4.28 0.28 1 92 ASN -1.86 0.36 1 93 ASN -2.88 0.17 1 94 ARG 4.07 -0.50 1 95 THR 6.02 -0.35 1 96 VAL 4.51 -0.33 1 98 ASP 4.61 -0.37 1 99 ASN 3.54 -0.29 1 100 ILE 4.70 -0.53 1 101 LYS 4.62 -0.67 1 102 MET 3.95 -0.31 1 103 THR 6.13 -0.50 1 104 LEU 2.48 -0.47 1 105 GLN 4.42 -0.42 1 106 GLN 4.00 -0.28 1 107 ILE 4.16 -0.71 1 108 ILE 4.95 -0.36 1 109 SER 4.40 -0.25 1 110 ARG 3.53 -0.23 1 111 TYR 1.09 0.22 1 112 LYS 1.42 0.05 1 113 ASP 0.65 -0.01 1 114 ALA 0.31 0.02 1 115 ASP 0.17 0.00 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25584_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.09 _LACS_plot.Line_1_terminator_val_y_1 -2.55 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.55 _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 6.13 _LACS_plot.Line_2_terminator_val_y_2 2.06 _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 11 LYS 5.24 -1.02 0 42 LEU 5.24 -1.38 0 10 GLU 3.33 -1.36 1 12 VAL -1.87 -1.15 1 13 SER 1.57 0.77 1 15 ILE -4.67 -0.97 1 16 ILE -4.11 -3.08 1 17 ALA -4.23 -1.57 1 18 ILE -0.64 -2.08 1 19 ASN -2.18 -0.40 1 20 GLU -1.69 -0.41 1 21 ASP 1.88 -0.58 1 22 VAL -4.19 -2.85 1 25 ALA -1.41 -2.01 1 26 GLU -7.09 -1.97 1 27 LEU -4.61 -2.85 1 28 THR -2.26 -2.01 1 29 TRP -4.13 -2.16 1 30 ARG -5.54 -1.52 1 31 SER -0.57 1.90 1 32 THR 5.84 0.95 1 33 ASP 0.20 0.80 1 35 ASP 0.62 -0.88 1 36 LYS -3.30 -2.04 1 37 VAL -4.97 -1.12 1 38 HIS -3.99 -0.71 1 39 THR -1.24 -1.57 1 40 VAL -3.31 -1.52 1 41 VAL 3.27 3.09 1 43 SER 3.65 0.87 1 44 THR 0.27 -1.09 1 45 ILE -0.99 -2.55 1 46 ASP -2.91 -0.76 1 47 LYS -4.99 -3.81 1 48 LEU -4.51 -1.98 1 49 GLN -4.55 -2.07 1 50 ALA -6.79 -0.41 1 53 ALA 3.37 -0.26 1 54 SER 0.54 0.28 1 55 SER -1.06 0.20 1 56 GLU 1.71 0.99 1 57 LYS -1.22 -0.90 1 58 MET -2.36 -2.13 1 59 MET -6.82 -2.22 1 60 LEU -6.87 -2.27 1 61 ARG -4.97 -2.34 1 62 LEU -1.39 -2.12 1 63 ILE -1.34 -0.04 1 65 LYS -0.94 0.75 1 66 VAL -0.69 -1.05 1 67 ASP -1.00 0.36 1 68 GLU 1.29 0.73 1 69 SER 2.15 0.60 1 70 LYS -0.22 0.47 1 71 LYS 0.19 -0.37 1 72 ARG -2.22 -0.95 1 73 LYS -2.40 0.39 1 74 ASP -1.26 1.09 1 75 ASN 2.41 0.76 1 76 GLU -0.72 -0.02 1 78 ASN -0.40 -0.14 1 79 GLU -0.60 -0.27 1 80 VAL -1.50 -0.73 1 85 GLN -0.05 -0.92 1 86 ARG -3.76 -1.34 1 87 HIS -5.12 -0.19 1 88 MET -3.38 -2.69 1 89 PHE -5.85 -1.23 1 90 SER -2.64 -1.57 1 91 PHE -4.28 -1.34 1 92 ASN -1.86 -0.35 1 93 ASN -2.88 -0.67 1 94 ARG 4.07 0.50 1 95 THR 6.02 1.96 1 96 VAL 4.51 1.26 1 97 MET 4.64 0.86 1 98 ASP 4.61 2.68 1 99 ASN 3.54 2.91 1 100 ILE 4.70 1.13 1 101 LYS 4.62 0.98 1 102 MET 3.95 2.69 1 103 THR 6.13 1.80 1 104 LEU 2.48 0.80 1 105 GLN 4.42 2.82 1 106 GLN 4.00 2.65 1 107 ILE 4.16 1.21 1 108 ILE 4.95 2.81 1 109 SER 4.40 1.47 1 110 ARG 3.53 2.28 1 111 TYR 1.09 0.30 1 112 LYS 1.42 0.78 1 113 ASP 0.65 0.39 1 114 ALA 0.31 0.20 1 stop_ save_