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 bmr5402_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.04 _LACS_plot.Line_1_terminator_val_y_1 -2.66 _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 -1.33 _LACS_plot.Line_2_terminator_val_x_2 5.21 _LACS_plot.Line_2_terminator_val_y_2 3.84 _LACS_plot.Y_axis_chem_shift_offset -0.13 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 83 PHE -6.01 -0.16 0 36 ILE -7.04 -0.84 0 10 TYR 1.46 0.48 1 11 GLU 2.17 1.37 1 12 TRP -4.42 -3.86 1 13 TYR -2.21 -1.75 1 14 SER -3.08 -1.36 1 15 LYS 0.98 1.05 1 16 HIS 2.07 1.06 1 17 MET -0.35 0.85 1 18 THR -2.85 -1.30 1 19 ARG 5.21 4.53 1 20 SER 3.95 3.15 1 21 GLN 3.61 3.02 1 22 ALA 3.90 2.45 1 23 GLU 5.21 4.04 1 24 GLN 4.96 3.41 1 25 LEU 2.94 2.66 1 26 LEU 3.19 2.80 1 27 LYS 3.64 3.00 1 28 GLN 3.54 2.64 1 29 GLU 3.09 1.75 1 31 LYS -2.11 -1.59 1 32 GLU 2.43 1.60 1 35 PHE -6.31 -1.98 1 37 VAL 0.01 -0.65 1 38 ARG -5.43 -2.61 1 39 ASP 1.10 1.04 1 40 SER -1.83 -1.36 1 41 SER 3.29 2.26 1 42 LYS 0.78 -0.48 1 43 ALA 1.40 1.00 1 45 LYS -2.09 -1.66 1 46 TYR -3.38 -0.55 1 47 THR -2.59 -0.63 1 48 VAL -0.84 -1.06 1 49 SER -0.64 0.22 1 50 VAL -5.14 -2.15 1 52 ALA -5.30 -1.66 1 53 LYS -1.07 -0.32 1 54 SER -0.14 -0.16 1 55 THR 0.77 1.55 1 57 ASP -1.91 -0.51 1 59 GLN 1.14 0.71 1 61 VAL -4.37 -2.34 1 62 ILE -4.35 -2.00 1 64 HIS -3.46 -0.63 1 65 TYR -3.00 -1.09 1 66 VAL 0.92 0.49 1 67 VAL 4.39 1.34 1 69 SER -4.79 -2.01 1 70 THR -0.10 -0.73 1 72 GLN 2.56 0.08 1 73 SER 2.77 0.51 1 74 GLN -3.37 -1.78 1 75 TYR -5.04 -0.93 1 76 TYR -1.82 -0.07 1 78 ALA -4.01 -1.49 1 79 GLU 2.38 2.04 1 80 LYS 3.16 1.21 1 81 HIS -0.35 -0.19 1 82 LEU -3.09 -0.75 1 84 SER 2.56 2.94 1 85 THR -5.64 -2.66 1 88 GLU 2.19 2.86 1 89 LEU 2.56 2.63 1 91 ASN 3.96 3.96 1 92 TYR 4.16 4.27 1 93 HIS 5.16 3.15 1 94 GLN 0.33 1.90 1 95 HIS -0.18 1.69 1 96 ASN -3.90 -1.02 1 102 SER -0.63 -0.14 1 103 ARG -1.93 0.34 1 104 LEU 0.93 2.87 1 105 LYS 0.58 2.62 1 106 TYR -4.10 -1.31 1 108 VAL 0.56 -0.19 1 109 SER -2.74 -1.12 1 110 GLN 0.49 0.60 1 111 GLN 0.83 0.49 1 112 ASN 0.58 0.19 1 113 LYS 1.06 0.44 1 114 ASN -0.03 0.06 1 115 ALA -0.77 -1.88 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5402_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.04 _LACS_plot.Line_1_terminator_val_y_1 4.38 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.03 _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 5.21 _LACS_plot.Line_2_terminator_val_y_2 -1.37 _LACS_plot.Y_axis_chem_shift_offset -0.13 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 83 PHE -6.01 5.85 0 36 ILE -7.04 6.20 0 10 TYR 1.46 -0.98 1 11 GLU 2.17 -0.80 1 12 TRP -4.42 0.56 1 13 TYR -2.21 0.46 1 14 SER -3.08 1.72 1 15 LYS 0.98 0.07 1 16 HIS 2.07 -1.01 1 17 MET -0.35 1.20 1 18 THR -2.85 1.55 1 19 ARG 5.21 -0.68 1 20 SER 3.95 -0.80 1 21 GLN 3.61 -0.59 1 22 ALA 3.90 -1.45 1 23 GLU 5.21 -1.17 1 24 GLN 4.96 -1.55 1 25 LEU 2.94 -0.28 1 26 LEU 3.19 -0.39 1 27 LYS 3.64 -0.64 1 28 GLN 3.54 -0.90 1 29 GLU 3.09 -1.34 1 31 LYS -2.11 0.52 1 32 GLU 2.43 -0.83 1 35 PHE -6.31 4.33 1 37 VAL 0.01 -0.66 1 38 ARG -5.43 2.82 1 39 ASP 1.10 -0.06 1 40 SER -1.83 0.47 1 41 SER 3.29 -1.03 1 42 LYS 0.78 -1.26 1 43 ALA 1.40 -0.40 1 45 LYS -2.09 0.43 1 46 TYR -3.38 2.83 1 47 THR -2.59 1.96 1 48 VAL -0.84 -0.22 1 49 SER -0.64 0.86 1 50 VAL -5.14 2.99 1 52 ALA -5.30 3.64 1 53 LYS -1.07 0.75 1 54 SER -0.14 -0.02 1 55 THR 0.77 0.78 1 57 ASP -1.91 1.40 1 59 GLN 1.14 -0.43 1 61 VAL -4.37 2.03 1 62 ILE -4.35 2.35 1 64 HIS -3.46 2.83 1 65 TYR -3.00 1.91 1 66 VAL 0.92 -0.43 1 67 VAL 4.39 -3.05 1 69 SER -4.79 2.78 1 70 THR -0.10 -0.63 1 72 GLN 2.56 -2.48 1 73 SER 2.77 -2.26 1 74 GLN -3.37 1.59 1 75 TYR -5.04 4.11 1 76 TYR -1.82 1.75 1 78 ALA -4.01 2.52 1 79 GLU 2.38 -0.34 1 80 LYS 3.16 -1.95 1 81 HIS -0.35 0.16 1 82 LEU -3.09 2.34 1 84 SER 2.56 0.38 1 85 THR -5.64 2.98 1 88 GLU 2.19 0.67 1 89 LEU 2.56 0.07 1 91 ASN 3.96 0.00 1 92 TYR 4.16 0.11 1 93 HIS 5.16 -2.01 1 94 GLN 0.33 1.57 1 95 HIS -0.18 1.87 1 96 ASN -3.90 2.88 1 102 SER -0.63 0.49 1 103 ARG -1.93 2.27 1 104 LEU 0.93 1.94 1 105 LYS 0.58 2.04 1 106 TYR -4.10 2.79 1 108 VAL 0.56 -0.75 1 109 SER -2.74 1.62 1 110 GLN 0.49 0.11 1 111 GLN 0.83 -0.34 1 112 ASN 0.58 -0.39 1 113 LYS 1.06 -0.62 1 114 ASN -0.03 0.09 1 115 ALA -0.77 -1.11 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5402_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.04 _LACS_plot.Line_1_terminator_val_y_1 0.72 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.23 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.25 _LACS_plot.Line_2_terminator_val_x_2 5.21 _LACS_plot.Line_2_terminator_val_y_2 -0.64 _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 36 ILE -7.04 0.10 0 37 VAL 0.01 1.08 0 35 PHE -6.31 -0.21 0 10 TYR 1.46 -0.59 1 11 GLU 2.17 -0.39 1 12 TRP -4.42 -0.26 1 13 TYR -2.21 1.08 1 14 SER -3.08 -0.09 1 15 LYS 0.98 -0.57 1 16 HIS 2.07 -0.30 1 17 MET -0.35 0.14 1 18 THR -2.85 0.13 1 19 ARG 5.21 -0.86 1 20 SER 3.95 -0.34 1 21 GLN 3.61 -0.35 1 22 ALA 3.90 -0.19 1 23 GLU 5.21 -0.51 1 24 GLN 4.96 -0.45 1 25 LEU 2.94 -0.35 1 26 LEU 3.19 -0.55 1 27 LYS 3.64 -0.78 1 28 GLN 3.54 -0.49 1 29 GLU 3.09 -0.45 1 31 LYS -2.11 0.00 1 32 GLU 2.43 -0.14 1 38 ARG -5.43 1.00 1 39 ASP 1.10 0.23 1 40 SER -1.83 0.10 1 41 SER 3.29 -0.33 1 42 LYS 0.78 -0.05 1 43 ALA 1.40 -0.22 1 45 LYS -2.09 0.32 1 46 TYR -3.38 0.71 1 47 THR -2.59 0.73 1 48 VAL -0.84 0.78 1 49 SER -0.64 0.92 1 50 VAL -5.14 1.11 1 52 ALA -5.30 0.16 1 53 LYS -1.07 0.01 1 54 SER -0.14 0.00 1 55 THR 0.77 -0.15 1 57 ASP -1.91 0.12 1 59 GLN 1.14 0.06 1 61 VAL -4.37 0.19 1 62 ILE -4.35 0.92 1 64 HIS -3.46 0.35 1 65 TYR -3.00 0.25 1 66 VAL 0.92 0.20 1 67 VAL 4.39 -0.27 1 69 SER -4.79 1.28 1 70 THR -0.10 0.44 1 72 GLN 2.56 0.07 1 73 SER 2.77 -0.77 1 74 GLN -3.37 0.21 1 75 TYR -5.04 1.15 1 76 TYR -1.82 0.67 1 78 ALA -4.01 0.41 1 79 GLU 2.38 -1.18 1 80 LYS 3.16 -0.67 1 81 HIS -0.35 -0.29 1 82 LEU -3.09 0.49 1 83 PHE -6.01 0.15 1 84 SER 2.56 0.15 1 85 THR -5.64 0.62 1 88 GLU 2.19 -0.49 1 89 LEU 2.56 -1.25 1 91 ASN 3.96 -0.26 1 92 TYR 4.16 -0.55 1 94 GLN 0.33 0.07 1 95 HIS -0.18 -0.29 1 96 ASN -3.90 -0.08 1 102 SER -0.63 -0.04 1 104 LEU 0.93 0.21 1 105 LYS 0.58 -0.28 1 106 TYR -4.10 0.33 1 108 VAL 0.56 -0.01 1 109 SER -2.74 -0.10 1 110 GLN 0.49 -0.11 1 111 GLN 0.83 -0.11 1 112 ASN 0.58 -0.12 1 113 LYS 1.06 -0.11 1 114 ASN -0.03 -0.11 1 115 ALA -0.77 0.20 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5402_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.04 _LACS_plot.Line_1_terminator_val_y_1 -2.33 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.45 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.79 _LACS_plot.Line_2_terminator_val_x_2 5.21 _LACS_plot.Line_2_terminator_val_y_2 1.46 _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 83 PHE -6.01 0.55 0 96 ASN -3.90 2.27 0 10 TYR 1.46 1.67 1 11 GLU 2.17 -0.78 1 12 TRP -4.42 -1.27 1 13 TYR -2.21 -0.91 1 14 SER -3.08 -2.03 1 15 LYS 0.98 0.02 1 16 HIS 2.07 -0.17 1 17 MET -0.35 -0.20 1 18 THR -2.85 0.36 1 19 ARG 5.21 1.73 1 20 SER 3.95 3.15 1 21 GLN 3.61 2.53 1 22 ALA 3.90 1.47 1 23 GLU 5.21 1.41 1 24 GLN 4.96 2.69 1 25 LEU 2.94 -2.35 1 26 LEU 3.19 2.23 1 27 LYS 3.64 1.59 1 28 GLN 3.54 2.25 1 29 GLU 3.09 2.26 1 31 LYS -2.11 0.06 1 32 GLU 2.43 0.17 1 35 PHE -6.31 -3.74 1 36 ILE -7.04 -2.33 1 37 VAL 0.01 -2.90 1 38 ARG -5.43 -1.39 1 39 ASP 1.10 -0.08 1 40 SER -1.83 0.50 1 41 SER 3.29 1.02 1 42 LYS 0.78 -1.59 1 43 ALA 1.40 0.83 1 45 LYS -2.09 -0.55 1 46 TYR -3.38 -1.00 1 47 THR -2.59 -2.40 1 48 VAL -0.84 -1.25 1 49 SER -0.64 -1.36 1 50 VAL -5.14 -3.75 1 52 ALA -5.30 -3.16 1 53 LYS -1.07 -0.67 1 54 SER -0.14 -0.68 1 55 THR 0.77 0.69 1 59 GLN 1.14 0.64 1 61 VAL -4.37 -3.26 1 62 ILE -4.35 -0.09 1 64 HIS -3.46 1.09 1 65 TYR -3.00 -1.35 1 66 VAL 0.92 -0.30 1 67 VAL 4.39 -0.22 1 69 SER -4.79 0.74 1 70 THR -0.10 2.24 1 72 GLN 2.56 -1.35 1 73 SER 2.77 -0.92 1 74 GLN -3.37 -1.11 1 75 TYR -5.04 0.09 1 76 TYR -1.82 -2.65 1 78 ALA -4.01 -1.07 1 79 GLU 2.38 -0.65 1 80 LYS 3.16 -0.72 1 81 HIS -0.35 -2.22 1 82 LEU -3.09 -0.78 1 84 SER 2.56 -0.84 1 85 THR -5.64 -0.94 1 88 GLU 2.19 1.45 1 89 LEU 2.56 0.15 1 91 ASN 3.96 2.65 1 92 TYR 4.16 3.42 1 93 HIS 5.16 2.30 1 94 GLN 0.33 0.96 1 95 HIS -0.18 -0.13 1 102 SER -0.63 -0.29 1 103 ARG -1.93 -3.29 1 105 LYS 0.58 0.55 1 108 VAL 0.56 -2.00 1 109 SER -2.74 -0.49 1 110 GLN 0.49 0.10 1 111 GLN 0.83 -0.06 1 112 ASN 0.58 0.25 1 113 LYS 1.06 -0.17 1 114 ASN -0.03 -1.37 1 115 ALA -0.77 -2.55 1 stop_ save_