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 bmr17278_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -9.23 _LACS_plot.Line_1_terminator_val_y_1 -3.19 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.72 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.65 _LACS_plot.Line_2_terminator_val_x_2 7.11 _LACS_plot.Line_2_terminator_val_y_2 5.73 _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 113 ASP 2.16 -1.82 0 59 ARG -9.23 -1.91 0 97 LYS 1.48 -2.57 0 10 ASN 3.31 3.24 1 12 VAL 4.22 3.50 1 13 ALA 3.85 3.09 1 14 ARG 3.33 0.88 1 15 PHE 4.02 4.40 1 16 ASN 4.32 3.03 1 17 GLU 4.73 3.35 1 18 LEU 3.75 3.97 1 19 LYS 3.02 3.32 1 20 ILE 1.70 1.34 1 21 ARG 0.55 1.01 1 22 LYS 5.80 0.88 1 24 VAL -4.20 -1.73 1 25 LYS -2.82 -0.08 1 26 TRP -6.52 -3.06 1 27 ILE -4.72 0.19 1 28 VAL -2.03 0.17 1 29 PHE -4.60 -1.98 1 30 LYS -7.90 -2.58 1 31 ILE 0.84 0.66 1 32 GLU -3.84 -1.49 1 34 THR 1.08 0.17 1 35 LYS -4.85 -1.56 1 36 ILE 0.16 0.39 1 37 VAL -5.89 -2.95 1 38 VAL 2.46 2.21 1 39 GLU -1.93 0.89 1 40 LYS -5.19 -1.29 1 41 ASP -5.97 -2.00 1 43 LYS -1.18 0.27 1 45 ASN -0.99 -1.11 1 46 ALA 3.91 2.88 1 47 ASP 4.54 3.02 1 48 GLU 1.73 2.38 1 49 PHE 2.32 1.55 1 50 ARG 4.01 3.73 1 52 ALA -1.90 -1.13 1 53 LEU 0.95 -1.99 1 55 ALA 2.49 2.27 1 56 ASN -1.78 -1.65 1 57 ASP -5.37 -2.14 1 60 PHE -5.88 -2.72 1 62 VAL -5.96 -2.95 1 63 TYR -4.10 -0.41 1 64 ASP 0.61 0.03 1 67 ASN 0.93 -0.23 1 68 LYS -1.86 -0.88 1 69 ILE 0.00 -0.07 1 70 GLN -3.30 -0.52 1 71 PHE -1.27 0.20 1 72 VAL -4.87 -0.91 1 73 LEU -2.93 -0.94 1 74 TRP -3.00 -2.32 1 77 ASP 2.16 2.54 1 78 ASN -2.39 0.25 1 79 ALA 6.54 5.56 1 81 VAL 4.83 4.24 1 82 LYS 5.57 5.08 1 84 ARG 3.66 2.83 1 85 MET 6.23 4.98 1 86 THR 7.11 5.24 1 87 TYR 4.74 3.77 1 88 ALA 2.72 2.51 1 89 SER 2.32 0.97 1 90 SER 4.18 3.46 1 91 LYS 4.07 3.22 1 92 ASP 3.65 2.07 1 93 ALA 1.76 1.17 1 94 LEU 3.93 3.34 1 95 LEU 3.02 2.03 1 96 LYS -0.03 -0.61 1 98 LEU 1.15 1.39 1 99 ASP -0.56 -0.46 1 101 ALA -0.07 0.17 1 102 THR 1.00 1.12 1 103 ALA -2.43 -1.66 1 104 VAL -1.65 -0.85 1 105 ALA -0.22 0.28 1 106 LEU -0.17 -0.94 1 107 GLU -5.51 -2.41 1 108 ALA -2.59 -1.18 1 109 HIS -4.51 -2.10 1 110 GLU 4.51 2.70 1 111 MET 2.91 2.47 1 114 LEU -0.11 -0.14 1 115 ALA 1.41 0.28 1 117 LEU -0.50 1.59 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17278_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -9.23 _LACS_plot.Line_1_terminator_val_y_1 6.04 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.28 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.35 _LACS_plot.Line_2_terminator_val_x_2 7.11 _LACS_plot.Line_2_terminator_val_y_2 -1.38 _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 113 ASP 2.16 -3.98 0 59 ARG -9.23 7.32 0 97 LYS 1.48 -4.05 0 10 ASN 3.31 -0.07 1 12 VAL 4.22 -0.72 1 13 ALA 3.85 -0.76 1 14 ARG 3.33 -2.45 1 15 PHE 4.02 0.38 1 16 ASN 4.32 -1.29 1 17 GLU 4.73 -1.38 1 18 LEU 3.75 0.22 1 19 LYS 3.02 0.30 1 20 ILE 1.70 -0.36 1 21 ARG 0.55 0.46 1 22 LYS 5.80 -4.92 1 24 VAL -4.20 2.47 1 25 LYS -2.82 2.74 1 26 TRP -6.52 3.46 1 27 ILE -4.72 4.91 1 28 VAL -2.03 2.20 1 29 PHE -4.60 2.62 1 30 LYS -7.90 5.32 1 31 ILE 0.84 -0.18 1 32 GLU -3.84 2.35 1 34 THR 1.08 -0.91 1 35 LYS -4.85 3.29 1 36 ILE 0.16 0.23 1 37 VAL -5.89 2.94 1 38 VAL 2.46 -0.25 1 39 GLU -1.93 2.82 1 40 LYS -5.19 3.90 1 41 ASP -5.97 3.97 1 43 LYS -1.18 1.45 1 45 ASN -0.99 -0.12 1 46 ALA 3.91 -1.03 1 47 ASP 4.54 -1.52 1 48 GLU 1.73 0.65 1 49 PHE 2.32 -0.77 1 50 ARG 4.01 -0.28 1 52 ALA -1.90 0.77 1 53 LEU 0.95 -2.94 1 55 ALA 2.49 -0.22 1 56 ASN -1.78 0.13 1 57 ASP -5.37 3.23 1 60 PHE -5.88 3.16 1 62 VAL -5.96 3.01 1 63 TYR -4.10 3.69 1 64 ASP 0.61 -0.58 1 67 ASN 0.93 -1.16 1 68 LYS -1.86 0.98 1 69 ILE 0.00 -0.07 1 70 GLN -3.30 2.78 1 71 PHE -1.27 1.47 1 72 VAL -4.87 3.96 1 73 LEU -2.93 1.99 1 74 TRP -3.00 0.68 1 77 ASP 2.16 0.38 1 78 ASN -2.39 2.64 1 79 ALA 6.54 -0.98 1 81 VAL 4.83 -0.59 1 82 LYS 5.57 -0.49 1 84 ARG 3.66 -0.83 1 85 MET 6.23 -1.25 1 86 THR 7.11 -1.87 1 87 TYR 4.74 -0.97 1 88 ALA 2.72 -0.21 1 89 SER 2.32 -1.35 1 90 SER 4.18 -0.72 1 91 LYS 4.07 -0.85 1 92 ASP 3.65 -1.58 1 93 ALA 1.76 -0.59 1 94 LEU 3.93 -0.59 1 95 LEU 3.02 -0.99 1 96 LYS -0.03 -0.58 1 98 LEU 1.15 0.24 1 99 ASP -0.56 0.10 1 101 ALA -0.07 0.24 1 102 THR 1.00 0.12 1 103 ALA -2.43 0.77 1 104 VAL -1.65 0.80 1 105 ALA -0.22 0.50 1 106 LEU -0.17 -0.77 1 107 GLU -5.51 3.10 1 108 ALA -2.59 1.41 1 109 HIS -4.51 2.41 1 110 GLU 4.51 -1.81 1 111 MET 2.91 -0.44 1 114 LEU -0.11 -0.03 1 115 ALA 1.41 -1.13 1 117 LEU -0.50 2.09 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17278_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -9.23 _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 -0.18 _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 7.11 _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 41 ASP -5.97 -0.69 0 10 ASN 3.31 -0.18 1 12 VAL 4.22 -0.63 1 13 ALA 3.85 -0.09 1 14 ARG 3.33 -0.28 1 15 PHE 4.02 -0.61 1 16 ASN 4.32 -0.35 1 17 GLU 4.73 -0.56 1 18 LEU 3.75 -0.29 1 20 ILE 1.70 0.19 1 21 ARG 0.55 -0.06 1 24 VAL -4.20 -0.32 1 25 LYS -2.82 -0.01 1 26 TRP -6.52 0.40 1 27 ILE -4.72 0.10 1 28 VAL -2.03 0.88 1 29 PHE -4.60 1.11 1 30 LYS -7.90 1.18 1 31 ILE 0.84 0.21 1 34 THR 1.08 0.26 1 35 LYS -4.85 0.57 1 36 ILE 0.16 0.43 1 37 VAL -5.89 0.50 1 38 VAL 2.46 -0.33 1 39 GLU -1.93 0.13 1 40 LYS -5.19 0.24 1 43 LYS -1.18 -0.03 1 45 ASN -0.99 0.24 1 46 ALA 3.91 -0.83 1 47 ASP 4.54 -0.41 1 48 GLU 1.73 -0.52 1 49 PHE 2.32 -0.37 1 50 ARG 4.01 -1.51 1 52 ALA -1.90 -0.24 1 55 ALA 2.49 -0.08 1 56 ASN -1.78 -0.18 1 57 ASP -5.37 0.13 1 59 ARG -9.23 0.35 1 60 PHE -5.88 1.28 1 62 VAL -5.96 1.57 1 63 TYR -4.10 0.14 1 64 ASP 0.61 -0.11 1 67 ASN 0.93 0.59 1 68 LYS -1.86 0.20 1 69 ILE 0.00 0.32 1 70 GLN -3.30 0.11 1 71 PHE -1.27 0.73 1 72 VAL -4.87 0.82 1 73 LEU -2.93 0.65 1 74 TRP -3.00 0.48 1 77 ASP 2.16 -0.08 1 78 ASN -2.39 -0.32 1 81 VAL 4.83 -0.59 1 84 ARG 5.57 -0.13 1 85 MET 3.66 -0.26 1 86 THR 6.23 -0.46 1 87 TYR 7.11 -0.66 1 88 ALA 4.74 -0.17 1 89 SER 2.72 -0.04 1 90 SER 2.32 0.26 1 91 LYS 4.18 -0.64 1 92 ASP 4.07 -0.43 1 93 ALA 3.65 -0.48 1 94 LEU 1.76 -0.51 1 95 LEU 3.93 -1.24 1 96 LYS 3.02 -0.48 1 97 LYS -0.03 -0.14 1 98 LEU 1.48 -0.51 1 99 ASP 1.15 -0.25 1 101 ALA -0.56 0.54 1 102 THR -0.07 0.17 1 103 ALA 1.00 -0.27 1 104 VAL -2.43 0.07 1 105 ALA -1.65 0.12 1 106 LEU -0.22 0.21 1 107 GLU -0.17 0.51 1 108 ALA -5.51 0.54 1 109 HIS -2.59 -0.21 1 110 GLU -4.51 0.22 1 111 MET 4.51 0.01 1 113 ASP 2.91 -0.49 1 114 LEU 2.16 0.23 1 117 LEU 1.41 -0.23 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17278_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -9.23 _LACS_plot.Line_1_terminator_val_y_1 -4.10 _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 -1.43 _LACS_plot.Line_2_terminator_val_x_2 7.11 _LACS_plot.Line_2_terminator_val_y_2 2.40 _LACS_plot.Y_axis_chem_shift_offset 0.55 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 117 LEU -0.50 5.02 0 10 ASN 3.31 2.35 1 12 VAL 4.22 1.21 1 13 ALA 3.85 3.60 1 14 ARG 3.33 2.10 1 15 PHE 4.02 0.72 1 16 ASN 4.32 2.94 1 17 GLU 4.73 1.47 1 18 LEU 3.75 0.19 1 19 LYS 3.02 0.56 1 20 ILE 1.70 0.81 1 21 ARG 0.55 -0.06 1 22 LYS 5.80 0.15 1 24 VAL -4.20 -2.85 1 25 LYS -2.82 -2.89 1 26 TRP -6.52 -2.07 1 27 ILE -4.72 -1.74 1 28 VAL -2.03 -1.63 1 29 PHE -4.60 -1.42 1 30 LYS -7.90 -3.00 1 31 ILE 0.84 -0.79 1 32 GLU -3.84 -1.60 1 34 THR 1.08 -0.92 1 35 LYS -4.85 -2.82 1 36 ILE 0.16 -1.68 1 37 VAL -5.89 -0.41 1 38 VAL 2.46 -0.37 1 39 GLU -1.93 -1.01 1 40 LYS -5.19 -4.70 1 41 ASP -5.97 -2.85 1 43 LYS -1.18 -0.34 1 45 ASN -0.99 1.36 1 46 ALA 3.91 0.92 1 47 ASP 4.54 2.42 1 48 GLU 1.73 1.47 1 49 PHE 2.32 -0.19 1 50 ARG 4.01 2.44 1 52 ALA -1.90 -1.54 1 53 LEU 0.95 -1.51 1 55 ALA 2.49 0.32 1 56 ASN -1.78 -1.73 1 57 ASP -5.37 -3.52 1 59 ARG -9.23 -0.99 1 60 PHE -5.88 0.14 1 62 VAL -5.96 -3.19 1 63 TYR -4.10 -2.15 1 64 ASP 0.61 -2.26 1 67 ASN 0.93 -0.93 1 68 LYS -1.86 -3.21 1 69 ILE 0.00 -1.72 1 70 GLN -3.30 -0.84 1 71 PHE -1.27 -0.21 1 72 VAL -4.87 -2.85 1 73 LEU -2.93 -4.80 1 74 TRP -3.00 -3.30 1 77 ASP 2.16 0.24 1 78 ASN -2.39 1.68 1 79 ALA 6.54 -0.29 1 81 VAL 4.83 0.87 1 82 LYS 5.57 3.13 1 84 ARG 3.66 3.37 1 85 MET 6.23 3.07 1 86 THR 7.11 2.21 1 87 TYR 4.74 2.82 1 88 ALA 2.72 1.16 1 89 SER 2.32 -1.15 1 90 SER 4.18 -0.06 1 91 LYS 4.07 1.19 1 92 ASP 3.65 1.52 1 93 ALA 1.76 -0.13 1 94 LEU 3.93 1.42 1 95 LEU 3.02 1.19 1 96 LYS -0.03 -0.65 1 97 LYS 1.48 -2.94 1 98 LEU 1.15 -0.06 1 99 ASP -0.56 -0.48 1 101 ALA -0.07 -0.38 1 102 THR 1.00 -0.21 1 103 ALA -2.43 -0.37 1 104 VAL -1.65 -1.26 1 105 ALA -0.22 -2.64 1 106 LEU -0.17 -3.17 1 107 GLU -5.51 -3.12 1 108 ALA -2.59 -0.98 1 109 HIS -4.51 0.41 1 110 GLU 4.51 3.39 1 111 MET 2.91 0.19 1 113 ASP 2.16 -1.69 1 114 LEU -0.11 -1.22 1 115 ALA 1.41 -2.94 1 stop_ save_