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 bmr36101_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -9.18 _LACS_plot.Line_1_terminator_val_y_1 -3.20 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.63 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.12 _LACS_plot.Line_2_terminator_val_x_2 7.29 _LACS_plot.Line_2_terminator_val_y_2 5.07 _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 67 LEU -7.20 0.28 0 72 HIS 3.95 5.88 0 66 GLN -9.18 -0.93 0 10 VAL -0.57 -0.10 1 11 LEU 0.75 0.89 1 12 LEU -3.53 0.28 1 13 ILE -2.74 -0.83 1 14 VAL -1.79 -0.71 1 15 LYS -0.48 -0.21 1 16 LYS 4.41 0.40 1 17 VAL -0.57 -0.71 1 18 ARG -3.70 -1.23 1 19 GLN 1.21 0.29 1 20 LYS 5.02 1.62 1 21 LYS 5.01 2.23 1 22 GLN -3.68 -0.93 1 23 ASP 0.35 1.79 1 25 ALA -5.28 -2.01 1 26 LEU -6.59 -1.56 1 27 TYR -3.21 -1.30 1 28 LEU 2.58 1.50 1 29 MET -2.94 -1.86 1 30 ALA 3.89 4.10 1 31 GLU -3.47 -1.22 1 32 ARG -4.93 -2.46 1 33 ILE -5.80 -3.28 1 34 ALA -5.28 -2.01 1 35 TRP -5.28 -0.90 1 36 ALA -6.73 -2.46 1 38 GLU 1.42 1.22 1 40 LYS -2.93 -2.05 1 41 ASP -0.27 -0.66 1 42 ARG -3.71 -1.85 1 43 PHE 0.85 -0.49 1 44 THR 2.50 1.52 1 45 ILE -4.57 -1.44 1 46 SER -0.61 -1.09 1 47 HIS -5.22 -2.07 1 48 MET 2.57 -0.63 1 49 TYR 4.13 2.37 1 50 ALA 1.44 1.65 1 51 ASP 0.35 1.18 1 52 ILE 0.93 1.00 1 53 LYS 1.35 2.23 1 55 GLN -4.91 -2.77 1 56 LYS -7.21 -2.05 1 57 ILE -5.80 -2.06 1 58 SER 0.79 -0.41 1 60 GLU 2.03 1.83 1 62 LYS -1.10 -2.05 1 63 ALA 1.44 1.65 1 64 LYS 0.13 -0.21 1 65 ILE 3.38 -0.83 1 68 GLN -6.74 -1.55 1 69 LEU -3.53 -2.17 1 70 VAL -0.57 -1.32 1 71 LEU 1.35 -0.95 1 73 ALA 1.44 1.04 1 75 ASP -0.88 -0.66 1 76 THR -5.45 -2.76 1 77 THR -1.78 -0.31 1 78 ASN -1.97 -1.39 1 79 PHE -3.43 -1.10 1 80 HIS -6.44 -2.07 1 81 PHE 3.29 1.34 1 82 SER -0.62 0.74 1 83 ASN 0.47 0.44 1 84 GLU 3.87 3.67 1 85 SER 3.06 2.58 1 86 THR 0.05 -0.31 1 87 ALA 3.27 4.10 1 88 VAL 6.15 4.79 1 89 LYS 3.79 2.84 1 90 GLU 2.02 2.44 1 91 ARG 7.30 3.66 1 92 ASP 5.24 3.62 1 93 ALA 3.89 2.88 1 94 VAL 6.15 4.79 1 95 LYS 2.57 1.62 1 96 ASP 3.40 3.01 1 97 LEU 3.19 2.72 1 98 LEU 5.02 3.94 1 99 GLN 2.43 2.73 1 100 GLN 1.21 1.51 1 101 LEU 1.97 2.72 1 102 LEU 3.18 2.23 1 104 LYS -0.99 0.12 1 105 PHE 0.74 1.01 1 106 LYS -0.04 -0.01 1 107 ARG -0.48 -0.21 1 108 LYS -0.39 -0.18 1 109 ALA 0.47 1.67 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr36101_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -9.18 _LACS_plot.Line_1_terminator_val_y_1 5.98 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.37 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.88 _LACS_plot.Line_2_terminator_val_x_2 7.29 _LACS_plot.Line_2_terminator_val_y_2 -2.22 _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 67 LEU -7.20 7.48 0 72 HIS 3.95 1.93 0 66 GLN -9.18 8.25 0 10 VAL -0.57 0.47 1 11 LEU 0.75 0.14 1 12 LEU -3.53 3.81 1 13 ILE -2.74 1.91 1 14 VAL -1.79 1.08 1 15 LYS -0.48 0.27 1 16 LYS 4.41 -4.01 1 17 VAL -0.57 -0.14 1 18 ARG -3.70 2.47 1 19 GLN 1.21 -0.92 1 20 LYS 5.02 -3.40 1 21 LYS 5.01 -2.78 1 22 GLN -3.68 2.75 1 23 ASP 0.35 1.44 1 25 ALA -5.28 3.27 1 26 LEU -6.59 5.03 1 27 TYR -3.21 1.91 1 28 LEU 2.58 -1.08 1 29 MET -2.94 1.08 1 30 ALA 3.89 0.21 1 31 GLU -3.47 2.25 1 32 ARG -4.93 2.47 1 33 ILE -5.80 2.52 1 34 ALA -5.28 3.27 1 35 TRP -5.28 4.38 1 36 ALA -6.73 4.27 1 38 GLU 1.42 -0.20 1 40 LYS -2.93 0.88 1 41 ASP -0.27 -0.39 1 42 ARG -3.71 1.86 1 43 PHE 0.85 -1.34 1 44 THR 2.50 -0.98 1 45 ILE -4.57 3.13 1 46 SER -0.61 -0.48 1 47 HIS -5.22 3.15 1 48 MET 2.57 -3.20 1 49 TYR 4.13 -1.76 1 50 ALA 1.44 0.21 1 51 ASP 0.35 0.83 1 52 ILE 0.93 0.07 1 53 LYS 1.35 0.88 1 55 GLN -4.91 2.14 1 56 LYS -7.21 5.16 1 57 ILE -5.80 3.74 1 58 SER 0.79 -1.20 1 60 GLU 2.03 -0.20 1 62 LYS -1.10 -0.95 1 63 ALA 1.44 0.21 1 64 LYS 0.13 -0.34 1 65 ILE 3.38 -4.21 1 68 GLN -6.74 5.19 1 69 LEU -3.53 1.36 1 70 VAL -0.57 -0.75 1 71 LEU 1.35 -2.30 1 73 ALA 1.44 -0.40 1 75 ASP -0.88 0.22 1 76 THR -5.45 2.69 1 77 THR -1.78 1.47 1 78 ASN -1.97 0.58 1 79 PHE -3.43 2.33 1 80 HIS -6.44 4.37 1 81 PHE 3.29 -1.95 1 82 SER -0.62 1.36 1 83 ASN 0.47 -0.03 1 84 GLU 3.87 -0.20 1 85 SER 3.06 -0.48 1 86 THR 0.05 -0.36 1 87 ALA 3.27 0.83 1 88 VAL 6.15 -1.36 1 89 LYS 3.79 -0.95 1 90 GLU 2.02 0.42 1 91 ARG 7.30 -3.64 1 92 ASP 5.24 -1.62 1 93 ALA 3.89 -1.01 1 94 VAL 6.15 -1.36 1 95 LYS 2.57 -0.95 1 96 ASP 3.40 -0.39 1 97 LEU 3.19 -0.47 1 98 LEU 5.02 -1.08 1 99 GLN 2.43 0.30 1 100 GLN 1.21 0.30 1 101 LEU 1.97 0.75 1 102 LEU 3.18 -0.95 1 104 LYS -0.99 1.11 1 105 PHE 0.74 0.27 1 106 LYS -0.04 0.03 1 107 ARG -0.48 0.27 1 108 LYS -0.39 0.21 1 109 ALA 0.47 1.20 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr36101_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -9.18 _LACS_plot.Line_1_terminator_val_y_1 1.06 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.12 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.31 _LACS_plot.Line_2_terminator_val_x_2 7.29 _LACS_plot.Line_2_terminator_val_y_2 -0.71 _LACS_plot.Y_axis_chem_shift_offset -0.09 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 91 ARG 7.30 -1.60 0 66 GLN -9.18 2.00 0 32 ARG -4.93 -0.46 0 10 VAL -0.57 0.15 1 11 LEU 0.75 0.06 1 12 LEU -3.53 0.11 1 13 ILE -2.74 0.62 1 14 VAL -1.79 0.22 1 15 LYS -0.48 0.13 1 16 LYS 4.41 -0.11 1 17 VAL -0.57 0.46 1 18 ARG -3.70 1.34 1 19 GLN 1.21 -0.09 1 20 LYS 5.02 -0.56 1 21 LYS 5.01 -0.61 1 22 GLN -3.68 0.41 1 23 ASP 0.35 0.02 1 25 ALA -5.28 0.83 1 26 LEU -6.59 0.60 1 27 TYR -3.21 0.46 1 28 LEU 2.58 0.49 1 29 MET -2.94 0.86 1 30 ALA 3.89 -0.09 1 31 GLU -3.47 -0.02 1 33 ILE -5.80 1.01 1 34 ALA -5.28 0.71 1 35 TRP -5.28 1.08 1 36 ALA -6.73 0.46 1 38 GLU 1.42 -0.33 1 40 LYS -2.93 0.29 1 41 ASP -0.27 -0.24 1 42 ARG -3.71 -0.11 1 43 PHE 0.85 0.08 1 44 THR 2.50 0.24 1 45 ILE -4.57 0.13 1 46 SER -0.61 0.24 1 47 HIS -5.22 0.54 1 48 MET 2.57 -0.14 1 49 TYR 4.13 -0.22 1 50 ALA 1.44 0.09 1 51 ASP 0.35 0.38 1 52 ILE 0.93 -0.35 1 53 LYS 1.35 -0.67 1 55 GLN -4.91 1.43 1 56 LYS -7.21 0.96 1 57 ILE -5.80 1.11 1 58 SER 0.79 -0.67 1 60 GLU 2.03 -0.24 1 62 LYS -1.10 0.17 1 63 ALA 1.44 -0.28 1 64 LYS 0.13 -0.06 1 65 ILE 3.38 -0.22 1 67 LEU -7.20 0.86 1 68 GLN -6.74 1.02 1 69 LEU -3.53 0.55 1 70 VAL -0.57 0.16 1 71 LEU 1.35 0.31 1 72 HIS 3.95 -0.49 1 73 ALA 1.44 0.00 1 75 ASP -0.88 -0.01 1 76 THR -5.45 0.94 1 77 THR -1.78 -0.15 1 78 ASN -1.97 0.41 1 79 PHE -3.43 0.43 1 80 HIS -6.44 0.79 1 81 PHE 3.29 -0.29 1 82 SER -0.62 -0.43 1 83 ASN 0.47 0.03 1 84 GLU 3.87 -0.32 1 85 SER 3.06 -0.04 1 86 THR 0.05 0.32 1 87 ALA 3.27 -0.10 1 88 VAL 6.15 -0.70 1 89 LYS 3.79 -0.22 1 90 GLU 2.02 -0.37 1 92 ASP 5.24 -0.32 1 93 ALA 3.89 -0.12 1 94 VAL 6.15 -0.68 1 95 LYS 2.57 0.55 1 96 ASP 3.40 -0.20 1 97 LEU 3.19 -0.13 1 98 LEU 5.02 -0.53 1 99 GLN 2.43 -0.17 1 100 GLN 1.21 -0.04 1 101 LEU 1.97 -0.18 1 102 LEU 3.18 -0.39 1 104 LYS -0.99 0.01 1 105 PHE 0.74 0.10 1 106 LYS -0.04 0.02 1 107 ARG -0.48 0.01 1 108 LYS -0.39 0.02 1 109 ALA 0.47 -0.30 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr36101_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -9.18 _LACS_plot.Line_1_terminator_val_y_1 -3.41 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.56 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.98 _LACS_plot.Line_2_terminator_val_x_2 7.29 _LACS_plot.Line_2_terminator_val_y_2 2.52 _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 109 ALA 0.47 4.22 0 32 ARG -4.93 -5.91 0 66 GLN -9.18 -0.49 0 10 VAL -0.57 -0.26 1 11 LEU 0.75 -0.29 1 12 LEU -3.53 -4.46 1 13 ILE -2.74 -0.56 1 14 VAL -1.79 -1.32 1 15 LYS -0.48 -0.57 1 16 LYS 4.41 -0.25 1 17 VAL -0.57 0.34 1 18 ARG -3.70 -0.38 1 19 GLN 1.21 -1.11 1 20 LYS 5.02 -0.97 1 21 LYS 5.01 -1.67 1 22 GLN -3.68 -0.64 1 23 ASP 0.35 0.79 1 25 ALA -5.28 -4.27 1 26 LEU -6.59 -3.81 1 27 TYR -3.21 -1.62 1 28 LEU 2.58 -2.25 1 29 MET -2.94 -0.18 1 30 ALA 3.89 1.04 1 31 GLU -3.47 -1.09 1 33 ILE -5.80 -4.87 1 34 ALA -5.28 -3.81 1 35 TRP -5.28 -1.80 1 36 ALA -6.73 -2.61 1 38 GLU 1.42 0.82 1 40 LYS -2.93 -0.90 1 41 ASP -0.27 -1.41 1 42 ARG -3.71 -1.75 1 43 PHE 0.85 1.65 1 44 THR 2.50 0.07 1 45 ILE -4.57 -1.70 1 46 SER -0.61 -1.84 1 47 HIS -5.22 0.91 1 48 MET 2.57 2.65 1 49 TYR 4.13 3.35 1 50 ALA 1.44 0.50 1 51 ASP 0.35 -0.57 1 52 ILE 0.93 -3.46 1 53 LYS 1.35 0.13 1 55 GLN -4.91 -1.51 1 56 LYS -7.21 -1.33 1 57 ILE -5.80 -1.17 1 58 SER 0.79 -0.35 1 60 GLU 2.03 0.74 1 62 LYS -1.10 0.32 1 63 ALA 1.44 0.11 1 64 LYS 0.13 -1.78 1 65 ILE 3.38 0.17 1 67 LEU -7.20 -5.08 1 68 GLN -6.74 -1.56 1 69 LEU -3.53 -2.66 1 70 VAL -0.57 -0.60 1 71 LEU 1.35 1.54 1 72 HIS 3.95 3.53 1 73 ALA 1.44 0.35 1 75 ASP -0.88 -2.41 1 76 THR -5.45 -0.21 1 77 THR -1.78 -2.80 1 78 ASN -1.97 -1.09 1 79 PHE -3.43 -1.75 1 80 HIS -6.44 0.24 1 81 PHE 3.29 -2.87 1 82 SER -0.62 0.11 1 83 ASN 0.47 0.06 1 84 GLU 3.87 1.61 1 85 SER 3.06 1.64 1 86 THR 0.05 0.29 1 87 ALA 3.27 1.07 1 88 VAL 6.15 1.27 1 89 LYS 3.79 3.78 1 90 GLU 2.02 1.00 1 91 ARG 7.30 2.86 1 92 ASP 5.24 0.98 1 93 ALA 3.89 3.13 1 94 VAL 6.15 0.32 1 95 LYS 2.57 3.14 1 96 ASP 3.40 3.11 1 97 LEU 3.19 2.40 1 98 LEU 5.02 0.99 1 99 GLN 2.43 1.48 1 100 GLN 1.21 1.95 1 101 LEU 1.97 0.58 1 102 LEU 3.18 0.59 1 104 LYS -0.99 -1.28 1 105 PHE 0.74 0.20 1 106 LYS -0.04 0.00 1 107 ARG -0.48 -0.61 1 108 LYS -0.39 -1.42 1 stop_ save_