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 bmr19703_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.58 _LACS_plot.Line_1_terminator_val_y_1 -3.16 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.73 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.62 _LACS_plot.Line_2_terminator_val_x_2 7.24 _LACS_plot.Line_2_terminator_val_y_2 5.67 _LACS_plot.Y_axis_chem_shift_offset 0.02 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 16 TYR -6.78 -1.72 0 57 TYR 6.07 6.24 0 83 THR 0.95 -2.05 0 85 ARG -8.58 -3.79 0 52 ILE 0.98 -2.24 0 10 ASP 0.63 -0.90 1 12 SER 0.93 1.04 1 13 ARG -4.07 -1.35 1 14 LYS -5.06 -0.96 1 15 THR -0.93 -0.06 1 17 GLU -1.59 -0.72 1 18 ALA -5.20 -2.13 1 19 TYR -2.29 -2.68 1 20 ASP 1.60 1.79 1 22 GLU -2.37 -1.52 1 23 THR -4.00 -1.25 1 24 LEU 3.40 2.98 1 25 LEU 2.33 2.49 1 26 SER 4.53 3.11 1 27 LEU 4.15 3.34 1 28 ALA 2.88 2.20 1 29 HIS 2.66 2.62 1 30 ARG 3.72 2.82 1 31 ASN -1.13 0.31 1 32 ASN 3.67 1.74 1 33 VAL 1.29 -0.04 1 34 ASP 2.15 0.11 1 49 HIS -0.62 0.34 1 50 VAL -6.04 -2.96 1 51 ILE -0.53 0.01 1 53 ASP -1.79 1.92 1 55 SER 3.62 2.79 1 56 TRP -2.80 0.97 1 58 ASP 5.07 3.71 1 59 ILE 3.84 3.55 1 60 VAL 7.25 5.62 1 61 GLU 3.92 2.45 1 62 GLN 4.08 2.78 1 63 HIS -0.98 1.82 1 64 ASN -1.99 -0.78 1 65 GLU 0.68 0.98 1 66 ILE 1.85 0.95 1 67 SER -2.43 -0.17 1 68 ASP 3.95 3.40 1 69 GLU 4.54 4.13 1 70 GLU 4.40 2.84 1 71 ASN 4.03 3.82 1 72 ASP 3.48 3.31 1 73 MET -0.49 0.74 1 74 LEU 4.16 2.77 1 75 ASP 2.74 2.80 1 76 LEU -0.84 -1.03 1 77 ALA 0.70 -0.20 1 78 PHE 0.43 0.05 1 80 LEU 0.99 1.40 1 81 THR -5.68 -1.61 1 82 ASP 2.07 1.64 1 84 SER 2.41 3.54 1 89 GLN -2.17 -1.85 1 90 ILE -0.80 -2.33 1 91 ILE 0.76 -0.94 1 92 LEU 1.51 -0.30 1 93 THR -5.46 -2.74 1 94 LYS 4.80 3.39 1 95 GLU 4.56 2.88 1 96 LEU -0.10 -1.60 1 97 ASP 1.72 2.31 1 99 LEU 0.95 0.64 1 101 VAL -3.76 -2.26 1 102 ILE -2.08 -0.50 1 103 LEU -0.32 -1.05 1 105 THR 0.72 0.79 1 106 GLU -1.42 -0.21 1 107 THR -0.19 0.04 1 108 ARG 0.08 0.09 1 109 ASN 0.20 0.03 1 110 ILE 0.18 0.24 1 111 SER -0.03 0.01 1 112 PHE -0.07 0.04 1 113 VAL 0.04 0.04 1 114 LYS 0.07 0.12 1 115 ASN 0.08 0.26 1 116 SER 0.81 1.82 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19703_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.58 _LACS_plot.Line_1_terminator_val_y_1 5.42 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.27 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.38 _LACS_plot.Line_2_terminator_val_x_2 7.24 _LACS_plot.Line_2_terminator_val_y_2 -1.57 _LACS_plot.Y_axis_chem_shift_offset 0.02 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 16 TYR -6.78 5.06 0 57 TYR 6.07 0.17 0 83 THR 0.95 -3.00 0 85 ARG -8.58 4.79 0 52 ILE 0.98 -3.22 0 10 ASP 0.63 -1.53 1 12 SER 0.93 0.11 1 13 ARG -4.07 2.72 1 14 LYS -5.06 4.10 1 15 THR -0.93 0.87 1 17 GLU -1.59 0.87 1 18 ALA -5.20 3.07 1 19 TYR -2.29 -0.39 1 20 ASP 1.60 0.19 1 22 GLU -2.37 0.85 1 23 THR -4.00 2.75 1 24 LEU 3.40 -0.42 1 25 LEU 2.33 0.16 1 26 SER 4.53 -1.42 1 27 LEU 4.15 -0.81 1 28 ALA 2.88 -0.68 1 29 HIS 2.66 -0.04 1 30 ARG 3.72 -0.90 1 31 ASN -1.13 1.44 1 32 ASN 3.67 -1.93 1 33 VAL 1.29 -1.33 1 34 ASP 2.15 -2.04 1 49 HIS -0.62 0.96 1 50 VAL -6.04 3.08 1 51 ILE -0.53 0.54 1 53 ASP -1.79 3.71 1 55 SER 3.62 -0.83 1 56 TRP -2.80 3.77 1 58 ASP 5.07 -1.36 1 59 ILE 3.84 -0.29 1 60 VAL 7.25 -1.63 1 61 GLU 3.92 -1.47 1 62 GLN 4.08 -1.30 1 63 HIS -0.98 2.80 1 64 ASN -1.99 1.21 1 65 GLU 0.68 0.30 1 66 ILE 1.85 -0.90 1 67 SER -2.43 2.26 1 68 ASP 3.95 -0.55 1 69 GLU 4.54 -0.41 1 70 GLU 4.40 -1.56 1 71 ASN 4.03 -0.21 1 72 ASP 3.48 -0.17 1 73 MET -0.49 1.23 1 74 LEU 4.16 -1.39 1 75 ASP 2.74 0.06 1 76 LEU -0.84 -0.19 1 77 ALA 0.70 -0.90 1 78 PHE 0.43 -0.38 1 80 LEU 0.99 0.41 1 81 THR -5.68 4.07 1 82 ASP 2.07 -0.43 1 84 SER 2.41 1.13 1 89 GLN -2.17 0.32 1 90 ILE -0.80 -1.53 1 91 ILE 0.76 -1.70 1 92 LEU 1.51 -1.81 1 93 THR -5.46 2.72 1 94 LYS 4.80 -1.41 1 95 GLU 4.56 -1.68 1 96 LEU -0.10 -1.50 1 97 ASP 1.72 0.59 1 99 LEU 0.95 -0.31 1 101 VAL -3.76 1.50 1 102 ILE -2.08 1.58 1 103 LEU -0.32 -0.73 1 105 THR 0.72 0.07 1 106 GLU -1.42 1.21 1 107 THR -0.19 0.23 1 108 ARG 0.08 0.01 1 109 ASN 0.20 -0.17 1 110 ILE 0.18 0.06 1 111 SER -0.03 0.04 1 112 PHE -0.07 0.11 1 113 VAL 0.04 0.00 1 114 LYS 0.07 0.05 1 115 ASN 0.08 0.18 1 116 SER 0.81 1.01 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19703_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -8.58 _LACS_plot.Line_1_terminator_val_y_1 0.47 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.29 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.02 _LACS_plot.Line_2_terminator_val_x_2 7.24 _LACS_plot.Line_2_terminator_val_y_2 -0.71 _LACS_plot.Y_axis_chem_shift_offset 0.14 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 23 THR -4.00 1.03 0 84 SER 2.41 0.61 0 10 ASP 0.63 -0.23 1 12 SER 0.93 -0.25 1 13 ARG -4.07 0.98 1 14 LYS -5.06 0.09 1 15 THR -0.93 0.67 1 16 TYR -6.78 0.24 1 17 GLU -1.59 0.05 1 18 ALA -5.20 -0.03 1 19 TYR -2.29 0.15 1 20 ASP 1.60 -0.46 1 22 GLU -2.37 0.17 1 24 LEU 3.40 -0.32 1 25 LEU 2.33 -0.57 1 26 SER 4.53 -0.41 1 27 LEU 4.15 -0.50 1 28 ALA 2.88 -1.04 1 29 HIS 2.66 -0.19 1 30 ARG 3.72 -0.23 1 31 ASN -1.13 -0.16 1 32 ASN 3.67 -0.51 1 33 VAL 1.29 -0.61 1 34 ASP 2.15 -0.26 1 49 HIS -0.62 0.13 1 50 VAL -6.04 0.21 1 51 ILE -0.53 -0.15 1 52 ILE 0.98 -0.14 1 55 SER 3.62 -0.19 1 56 TRP -2.80 -0.19 1 57 TYR 6.07 -0.83 1 58 ASP 5.07 -0.25 1 59 ILE 3.84 -0.36 1 60 VAL 7.25 -0.66 1 61 GLU 3.92 -0.73 1 62 GLN 4.08 -0.61 1 63 HIS -0.98 -0.29 1 64 ASN -1.99 0.34 1 65 GLU 0.68 -0.22 1 66 ILE 1.85 -0.17 1 67 SER -2.43 -0.03 1 68 ASP 3.95 -0.33 1 69 GLU 4.54 -0.39 1 70 GLU 4.40 -0.53 1 71 ASN 4.03 -0.38 1 72 ASP 3.48 -0.39 1 73 MET -0.49 -0.06 1 74 LEU 4.16 -0.57 1 75 ASP 2.74 -0.32 1 76 LEU -0.84 -0.06 1 77 ALA 0.70 -0.25 1 78 PHE 0.43 -0.20 1 80 LEU 0.99 -0.59 1 81 THR -5.68 0.51 1 82 ASP 2.07 -0.26 1 83 THR 0.95 -0.10 1 85 ARG -8.58 0.47 1 89 GLN -2.17 -0.15 1 90 ILE -0.80 -0.38 1 91 ILE 0.76 -0.27 1 92 LEU 1.51 -0.23 1 93 THR -5.46 0.41 1 94 LYS 4.80 -0.64 1 95 GLU 4.56 -0.39 1 96 LEU -0.10 0.11 1 97 ASP 1.72 -0.63 1 101 VAL -3.76 0.31 1 102 ILE -2.08 0.33 1 103 LEU -0.32 -0.01 1 105 THR 0.72 -0.21 1 106 GLU -1.42 0.00 1 107 THR -0.19 -0.11 1 108 ARG 0.08 -0.21 1 109 ASN 0.20 -0.16 1 110 ILE 0.18 -0.10 1 111 SER -0.03 -0.13 1 112 PHE -0.07 -0.07 1 113 VAL 0.04 -0.20 1 114 LYS 0.07 -0.11 1 115 ASN 0.08 -0.07 1 116 SER 0.81 -0.31 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19703_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -8.58 _LACS_plot.Line_1_terminator_val_y_1 -2.79 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.22 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.03 _LACS_plot.Line_2_terminator_val_x_2 7.24 _LACS_plot.Line_2_terminator_val_y_2 1.84 _LACS_plot.Y_axis_chem_shift_offset 0.38 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 99 LEU 0.95 -4.56 0 29 HIS 2.66 4.89 0 73 MET -0.49 4.39 0 85 ARG -8.58 -1.09 0 10 ASP 0.63 0.78 1 12 SER 0.93 -2.23 1 13 ARG -4.07 -0.68 1 14 LYS -5.06 -2.70 1 15 THR -0.93 -1.58 1 16 TYR -6.78 -1.79 1 17 GLU -1.59 -1.17 1 18 ALA -5.20 -1.24 1 19 TYR -2.29 -0.20 1 20 ASP 1.60 0.16 1 22 GLU -2.37 -1.49 1 23 THR -4.00 2.16 1 24 LEU 3.40 0.50 1 25 LEU 2.33 -1.08 1 26 SER 4.53 2.69 1 27 LEU 4.15 1.52 1 28 ALA 2.88 1.74 1 30 ARG 3.72 0.06 1 31 ASN -1.13 -2.50 1 32 ASN 3.67 -1.08 1 33 VAL 1.29 0.34 1 34 ASP 2.15 -3.37 1 49 HIS -0.62 -0.92 1 50 VAL -6.04 -4.18 1 51 ILE -0.53 -0.53 1 52 ILE 0.98 -0.06 1 53 ASP -1.79 1.81 1 55 SER 3.62 0.28 1 56 TRP -2.80 0.29 1 57 TYR 6.07 0.72 1 58 ASP 5.07 2.21 1 59 ILE 3.84 2.02 1 60 VAL 7.25 1.99 1 61 GLU 3.92 0.81 1 62 GLN 4.08 1.59 1 63 HIS -0.98 3.53 1 64 ASN -1.99 -2.62 1 65 GLU 0.68 -0.30 1 66 ILE 1.85 -0.14 1 67 SER -2.43 0.14 1 68 ASP 3.95 2.00 1 69 GLU 4.54 2.34 1 70 GLU 4.40 1.26 1 71 ASN 4.03 2.42 1 72 ASP 3.48 2.47 1 74 LEU 4.16 0.87 1 75 ASP 2.74 1.22 1 76 LEU -0.84 -0.38 1 77 ALA 0.70 -0.58 1 78 PHE 0.43 0.66 1 80 LEU 0.99 -1.07 1 81 THR -5.68 1.04 1 82 ASP 2.07 0.40 1 83 THR 0.95 -0.21 1 84 SER 2.41 -1.04 1 89 GLN -2.17 -2.01 1 90 ILE -0.80 -2.64 1 91 ILE 0.76 -0.44 1 92 LEU 1.51 -3.21 1 93 THR -5.46 1.42 1 94 LYS 4.80 1.03 1 95 GLU 4.56 0.04 1 96 LEU -0.10 -3.49 1 97 ASP 1.72 -0.50 1 101 VAL -3.76 -3.99 1 102 ILE -2.08 -0.82 1 103 LEU -0.32 -0.98 1 105 THR 0.72 -0.62 1 106 GLU -1.42 -0.59 1 107 THR -0.19 -0.36 1 108 ARG 0.08 -0.76 1 109 ASN 0.20 -0.09 1 110 ILE 0.18 -0.49 1 111 SER -0.03 -0.62 1 112 PHE -0.07 -0.52 1 113 VAL 0.04 -0.85 1 114 LYS 0.07 -0.56 1 115 ASN 0.08 -0.97 1 116 SER 0.81 3.91 1 stop_ save_