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 bmr17742_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.96 _LACS_plot.Line_1_terminator_val_y_1 -2.70 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.87 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.23 _LACS_plot.Line_2_terminator_val_x_2 6.40 _LACS_plot.Line_2_terminator_val_y_2 4.85 _LACS_plot.Y_axis_chem_shift_offset -0.19 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 50 LYS -0.21 -2.57 0 10 TYR 3.62 4.02 1 11 VAL 6.41 4.66 1 12 TYR 5.63 5.06 1 13 GLN 4.87 3.12 1 14 LEU 4.04 3.02 1 15 LEU 2.44 1.47 1 16 SER 0.40 0.59 1 17 ASP -3.77 -1.44 1 18 SER 3.45 2.83 1 19 ARG 3.64 2.53 1 20 TYR 2.00 0.84 1 21 GLU 2.57 2.53 1 22 ASN 2.98 1.02 1 24 ILE -3.09 -1.27 1 25 ARG -4.17 -1.47 1 26 TRP -0.57 0.46 1 27 GLU -1.29 0.39 1 28 ASP -1.49 -0.66 1 29 LYS 4.40 4.03 1 30 GLU 3.69 2.97 1 31 SER 0.54 0.51 1 32 LYS 4.73 1.43 1 33 ILE -2.08 -0.67 1 34 PHE -7.12 -2.62 1 35 ARG -7.96 -2.42 1 36 ILE 2.85 2.01 1 37 VAL 2.00 1.97 1 38 ASP -3.23 -1.96 1 40 ASN 4.29 3.40 1 42 LEU 3.00 2.73 1 43 ALA 3.73 2.95 1 44 ARG 4.16 3.37 1 45 LEU 4.14 3.29 1 46 TRP 3.30 2.52 1 48 ASN 3.90 3.13 1 49 HIS 3.83 4.39 1 51 ASN 2.84 1.21 1 52 ARG -3.64 -2.33 1 53 THR 0.48 0.39 1 54 ASN 1.36 0.09 1 55 MET 1.56 -0.10 1 56 THR -5.23 -2.74 1 57 TYR 5.84 4.40 1 58 GLU 4.89 3.88 1 59 LYS 3.58 3.86 1 60 MET 3.82 4.38 1 61 SER 4.85 3.30 1 62 ARG 4.18 3.49 1 63 ALA 3.17 2.22 1 64 LEU 4.33 2.98 1 65 ARG 4.03 3.13 1 66 HIS 2.91 4.06 1 67 TYR 4.90 3.62 1 68 TYR 1.50 -0.25 1 69 LYS 3.46 2.60 1 70 LEU -0.86 -0.46 1 71 ASN 3.17 1.52 1 72 ILE 0.93 2.62 1 73 ILE -6.30 -1.74 1 74 ARG -5.53 -1.74 1 75 LYS 0.72 0.27 1 76 GLU -1.16 -0.45 1 79 GLN -3.14 -1.34 1 80 ARG 0.22 0.82 1 81 LEU 1.99 -0.07 1 82 LEU -4.96 -1.89 1 83 PHE -6.75 -1.78 1 84 ARG -7.06 -1.76 1 85 PHE 0.74 1.96 1 86 MET 0.48 -0.72 1 87 LYS -6.49 -1.68 1 88 THR 1.75 -0.01 1 90 ASP 2.92 2.46 1 91 GLU 0.99 1.86 1 92 ILE 3.44 2.78 1 93 MET 1.41 1.13 1 94 SER 1.51 1.18 1 96 ARG 0.60 -0.24 1 97 THR 2.33 1.61 1 98 ASP 3.33 2.24 1 99 ARG 3.14 2.31 1 100 LEU 2.61 2.43 1 101 GLU 3.10 2.87 1 102 HIS 3.19 3.43 1 103 LEU 3.26 2.47 1 104 GLU 3.42 3.62 1 105 SER 3.73 3.00 1 106 GLN 2.94 2.54 1 107 VAL 2.92 2.21 1 108 LEU 1.67 1.42 1 109 ASP 0.13 0.45 1 110 GLU 0.52 0.71 1 111 GLN 0.19 0.40 1 112 THR 0.27 0.34 1 113 TYR -0.16 0.02 1 114 GLN -0.65 -0.16 1 115 GLU -0.61 0.01 1 116 ASP -0.12 0.18 1 117 GLU -0.81 0.24 1 119 THR 0.26 0.32 1 120 ILE -0.29 -0.11 1 121 ALA -0.57 -0.14 1 122 SER -0.33 -0.17 1 124 VAL 0.70 0.47 1 126 TRP -1.15 -0.67 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17742_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.96 _LACS_plot.Line_1_terminator_val_y_1 5.26 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.13 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.77 _LACS_plot.Line_2_terminator_val_x_2 6.40 _LACS_plot.Line_2_terminator_val_y_2 -1.55 _LACS_plot.Y_axis_chem_shift_offset -0.19 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 50 LYS -0.21 -2.36 0 10 TYR 3.62 0.40 1 11 VAL 6.41 -1.75 1 12 TYR 5.63 -0.57 1 13 GLN 4.87 -1.75 1 14 LEU 4.04 -1.02 1 15 LEU 2.44 -0.97 1 16 SER 0.40 0.19 1 17 ASP -3.77 2.33 1 18 SER 3.45 -0.62 1 19 ARG 3.64 -1.11 1 20 TYR 2.00 -1.16 1 21 GLU 2.57 -0.04 1 22 ASN 2.98 -1.96 1 24 ILE -3.09 1.82 1 25 ARG -4.17 2.70 1 26 TRP -0.57 1.03 1 27 GLU -1.29 1.68 1 28 ASP -1.49 0.83 1 29 LYS 4.40 -0.37 1 30 GLU 3.69 -0.72 1 31 SER 0.54 -0.03 1 32 LYS 4.73 -3.30 1 33 ILE -2.08 1.41 1 34 PHE -7.12 4.50 1 35 ARG -7.96 5.54 1 36 ILE 2.85 -0.84 1 37 VAL 2.00 -0.03 1 38 ASP -3.23 1.27 1 40 ASN 4.29 -0.89 1 42 LEU 3.00 -0.27 1 43 ALA 3.73 -0.78 1 44 ARG 4.16 -0.79 1 45 LEU 4.14 -0.85 1 46 TRP 3.30 -0.78 1 48 ASN 3.90 -0.77 1 49 HIS 3.83 0.56 1 51 ASN 2.84 -1.63 1 52 ARG -3.64 1.31 1 53 THR 0.48 -0.09 1 54 ASN 1.36 -1.27 1 55 MET 1.56 -1.66 1 56 THR -5.23 2.49 1 57 TYR 5.84 -1.44 1 58 GLU 4.89 -1.01 1 59 LYS 3.58 0.28 1 60 MET 3.82 0.56 1 61 SER 4.85 -1.55 1 62 ARG 4.18 -0.69 1 63 ALA 3.17 -0.95 1 64 LEU 4.33 -1.35 1 65 ARG 4.03 -0.90 1 66 HIS 2.91 1.15 1 67 TYR 4.90 -1.28 1 68 TYR 1.50 -1.75 1 69 LYS 3.46 -0.86 1 70 LEU -0.86 0.40 1 71 ASN 3.17 -1.65 1 72 ILE 0.93 1.69 1 73 ILE -6.30 4.56 1 74 ARG -5.53 3.79 1 75 LYS 0.72 -0.45 1 76 GLU -1.16 0.71 1 79 GLN -3.14 1.80 1 80 ARG 0.22 0.60 1 81 LEU 1.99 -2.06 1 82 LEU -4.96 3.07 1 83 PHE -6.75 4.97 1 84 ARG -7.06 5.30 1 85 PHE 0.74 1.22 1 86 MET 0.48 -1.20 1 87 LYS -6.49 4.81 1 88 THR 1.75 -1.76 1 90 ASP 2.92 -0.46 1 91 GLU 0.99 0.87 1 92 ILE 3.44 -0.66 1 93 MET 1.41 -0.28 1 94 SER 1.51 -0.33 1 96 ARG 0.60 -0.84 1 97 THR 2.33 -0.72 1 98 ASP 3.33 -1.09 1 99 ARG 3.14 -0.83 1 100 LEU 2.61 -0.18 1 101 GLU 3.10 -0.23 1 102 HIS 3.19 0.24 1 103 LEU 3.26 -0.79 1 104 GLU 3.42 0.20 1 105 SER 3.73 -0.73 1 106 GLN 2.94 -0.40 1 107 VAL 2.92 -0.71 1 108 LEU 1.67 -0.25 1 109 ASP 0.13 0.32 1 110 GLU 0.52 0.19 1 111 GLN 0.19 0.21 1 112 THR 0.27 0.07 1 113 TYR -0.16 0.18 1 114 GLN -0.65 0.49 1 115 GLU -0.61 0.62 1 116 ASP -0.12 0.30 1 117 GLU -0.81 1.05 1 119 THR 0.26 0.06 1 120 ILE -0.29 0.18 1 121 ALA -0.57 0.43 1 122 SER -0.33 0.16 1 124 VAL 0.70 -0.23 1 126 TRP -1.15 0.48 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17742_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.96 _LACS_plot.Line_1_terminator_val_y_1 0.84 _LACS_plot.Line_1_terminator_val_x_2 2.00 _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 0.18 _LACS_plot.Line_2_terminator_val_x_2 6.40 _LACS_plot.Line_2_terminator_val_y_2 -0.65 _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 33 ILE -2.08 1.21 0 68 TYR 1.50 0.92 0 10 TYR 3.62 -0.70 1 11 VAL 6.41 -1.14 1 12 TYR 5.63 -0.93 1 13 GLN 4.87 -0.51 1 14 LEU 4.04 -0.73 1 15 LEU 2.44 -0.83 1 16 SER 0.40 0.07 1 17 ASP -3.77 0.33 1 18 SER 3.45 -0.10 1 19 ARG 3.64 -0.23 1 20 TYR 2.00 0.33 1 21 GLU 2.57 0.12 1 22 ASN 2.98 -0.25 1 24 ILE -3.09 0.89 1 25 ARG -4.17 0.56 1 26 TRP -0.57 0.22 1 27 GLU -1.29 0.33 1 28 ASP -1.49 0.13 1 29 LYS 4.40 -1.16 1 30 GLU 3.69 -0.43 1 31 SER 0.54 0.02 1 32 LYS 4.73 -0.41 1 34 PHE -7.12 0.95 1 35 ARG -7.96 1.14 1 36 ILE 2.85 0.03 1 37 VAL 2.00 -0.45 1 38 ASP -3.23 0.28 1 40 ASN 4.29 -0.14 1 42 LEU 3.00 -0.31 1 43 ALA 3.73 0.14 1 44 ARG 4.16 -0.25 1 45 LEU 4.14 -0.33 1 46 TRP 3.30 -0.57 1 48 ASN 3.90 -0.34 1 49 HIS 3.83 -0.52 1 50 LYS -0.21 -0.41 1 51 ASN 2.84 -0.48 1 52 ARG -3.64 0.32 1 53 THR 0.48 -0.13 1 54 ASN 1.36 -0.13 1 55 MET 1.56 0.09 1 56 THR -5.23 0.47 1 57 TYR 5.84 -0.42 1 58 GLU 4.89 -0.53 1 59 LYS 3.58 -0.38 1 60 MET 3.82 -0.61 1 61 SER 4.85 -0.68 1 62 ARG 4.18 -0.41 1 63 ALA 3.17 -0.16 1 64 LEU 4.33 -0.56 1 65 ARG 4.03 -0.81 1 66 HIS 2.91 -0.29 1 67 TYR 4.90 -0.42 1 69 LYS 3.46 -0.20 1 70 LEU -0.86 -0.03 1 71 ASN 3.17 -0.37 1 72 ILE 0.93 -0.04 1 73 ILE -6.30 0.84 1 74 ARG -5.53 0.43 1 75 LYS 0.72 -0.25 1 76 GLU -1.16 -0.20 1 79 GLN -3.14 0.15 1 80 ARG 0.22 -0.08 1 81 LEU 1.99 -0.32 1 82 LEU -4.96 0.67 1 83 PHE -6.75 0.25 1 84 ARG -7.06 1.24 1 85 PHE 0.74 0.41 1 86 MET 0.48 0.18 1 87 LYS -6.49 0.58 1 88 THR 1.75 -0.24 1 90 ASP 2.92 -0.42 1 91 GLU 0.99 -0.34 1 92 ILE 3.44 -0.58 1 93 MET 1.41 -0.11 1 94 SER 1.51 -0.06 1 96 ARG 0.60 0.23 1 97 THR 2.33 -0.13 1 98 ASP 3.33 -0.24 1 99 ARG 3.14 -0.15 1 100 LEU 2.61 -0.29 1 101 GLU 3.10 -0.39 1 102 HIS 3.19 -0.27 1 103 LEU 3.26 -0.37 1 104 GLU 3.42 -0.32 1 105 SER 3.73 -0.27 1 106 GLN 2.94 -0.22 1 107 VAL 2.92 -0.16 1 108 LEU 1.67 -0.27 1 109 ASP 0.13 0.04 1 110 GLU 0.52 -0.16 1 111 GLN 0.19 0.00 1 112 THR 0.27 -0.09 1 113 TYR -0.16 0.00 1 114 GLN -0.65 -0.06 1 115 GLU -0.61 -0.13 1 116 ASP -0.12 -0.05 1 117 GLU -0.81 -0.05 1 119 THR 0.26 -0.06 1 120 ILE -0.29 0.00 1 121 ALA -0.57 0.01 1 122 SER -0.33 -0.11 1 124 VAL 0.70 -0.11 1 126 TRP -1.15 -0.06 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17742_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.96 _LACS_plot.Line_1_terminator_val_y_1 -2.93 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.97 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.68 _LACS_plot.Line_2_terminator_val_x_2 6.40 _LACS_plot.Line_2_terminator_val_y_2 2.72 _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 34 PHE -7.12 3.76 0 10 TYR 3.62 1.12 1 11 VAL 6.41 0.49 1 12 TYR 5.63 2.86 1 13 GLN 4.87 3.92 1 14 LEU 4.04 2.26 1 15 LEU 2.44 0.62 1 16 SER 0.40 -2.09 1 17 ASP -3.77 -0.60 1 18 SER 3.45 1.66 1 19 ARG 3.64 1.85 1 20 TYR 2.00 1.13 1 21 GLU 2.57 -0.28 1 22 ASN 2.98 -0.70 1 24 ILE -3.09 2.93 1 25 ARG -4.17 -1.15 1 26 TRP -0.57 0.54 1 27 GLU -1.29 0.18 1 28 ASP -1.49 -0.13 1 29 LYS 4.40 2.18 1 30 GLU 3.69 2.08 1 31 SER 0.54 -2.24 1 32 LYS 4.73 -1.10 1 33 ILE -2.08 0.67 1 35 ARG -7.96 0.22 1 36 ILE 2.85 -2.48 1 37 VAL 2.00 -0.35 1 40 ASN 4.29 3.37 1 42 LEU 3.00 0.17 1 43 ALA 3.73 1.29 1 44 ARG 4.16 3.17 1 45 LEU 4.14 2.45 1 46 TRP 3.30 1.84 1 48 ASN 3.90 3.42 1 49 HIS 3.83 1.99 1 50 LYS -0.21 -1.25 1 51 ASN 2.84 -0.80 1 52 ARG -3.64 -0.09 1 53 THR 0.48 -0.06 1 54 ASN 1.36 -0.23 1 55 MET 1.56 -1.22 1 56 THR -5.23 0.85 1 57 TYR 5.84 1.40 1 58 GLU 4.89 2.61 1 59 LYS 3.58 2.20 1 60 MET 3.82 1.85 1 61 SER 4.85 1.78 1 62 ARG 4.18 2.43 1 63 ALA 3.17 1.90 1 64 LEU 4.33 0.49 1 65 ARG 4.03 3.22 1 66 HIS 2.91 3.73 1 67 TYR 4.90 3.17 1 68 TYR 1.50 -3.62 1 69 LYS 3.46 1.52 1 70 LEU -0.86 -1.70 1 71 ASN 3.17 -1.60 1 72 ILE 0.93 0.07 1 73 ILE -6.30 -2.36 1 74 ARG -5.53 -1.38 1 75 LYS 0.72 -0.07 1 79 GLN -3.14 -0.61 1 80 ARG 0.22 -0.03 1 81 LEU 1.99 -4.32 1 82 LEU -4.96 -2.24 1 83 PHE -6.75 -2.95 1 84 ARG -7.06 1.34 1 85 PHE 0.74 0.32 1 86 MET 0.48 0.14 1 87 LYS -6.49 -0.98 1 90 ASP 2.92 2.04 1 91 GLU 0.99 2.64 1 92 ILE 3.44 1.72 1 93 MET 1.41 0.71 1 94 SER 1.51 0.66 1 96 ARG 0.60 1.57 1 97 THR 2.33 0.75 1 98 ASP 3.33 1.74 1 99 ARG 3.14 1.94 1 100 LEU 2.61 0.61 1 101 GLU 3.10 2.17 1 102 HIS 3.19 3.22 1 103 LEU 3.26 1.41 1 104 GLU 3.42 1.59 1 105 SER 3.73 1.32 1 106 GLN 2.94 2.24 1 107 VAL 2.92 1.16 1 108 LEU 1.67 0.01 1 109 ASP 0.13 0.07 1 110 GLU 0.52 0.14 1 111 GLN 0.19 0.21 1 112 THR 0.27 -0.61 1 113 TYR -0.16 -0.60 1 114 GLN -0.65 -0.63 1 115 GLU -0.61 -0.54 1 116 ASP -0.12 -0.43 1 119 THR 0.26 -0.04 1 120 ILE -0.29 -0.72 1 121 ALA -0.57 -0.47 1 stop_ save_