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 bmr11109_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -9.20 _LACS_plot.Line_1_terminator_val_y_1 -3.26 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.48 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.82 _LACS_plot.Line_2_terminator_val_x_2 9.91 _LACS_plot.Line_2_terminator_val_y_2 8.23 _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 22 MET 1.82 -2.38 0 65 MET -6.72 -0.01 0 10 LYS -0.55 -0.81 1 11 VAL 1.78 1.33 1 12 VAL -1.62 -0.55 1 13 VAL -5.22 -2.98 1 15 LYS 2.18 1.98 1 16 THR -0.75 -1.03 1 17 PHE 4.87 5.32 1 18 ASP 4.82 3.46 1 19 ALA 2.35 1.91 1 20 ILE 1.22 1.52 1 21 VAL 5.93 3.56 1 23 ASP -2.13 -0.67 1 25 LYS 0.42 -0.05 1 26 LYS -5.46 -2.43 1 27 ASP -2.04 -0.43 1 28 VAL -5.38 -2.25 1 29 LEU -4.38 -1.85 1 30 ILE -9.20 -5.59 1 31 GLU -2.34 -3.17 1 32 PHE -2.08 -1.43 1 33 TYR -7.14 -3.03 1 34 ALA -4.22 -2.94 1 36 TRP -3.19 -3.53 1 39 HIS 2.33 4.20 1 41 LYS 4.51 3.62 1 42 GLN 3.50 2.89 1 43 LEU 0.25 0.19 1 44 GLU 9.91 7.74 1 46 ILE 3.42 2.91 1 47 TYR 4.93 4.97 1 48 THR 6.60 5.24 1 49 SER 5.49 4.29 1 50 LEU 3.05 3.03 1 52 LYS 4.25 3.81 1 53 LYS 3.48 3.01 1 54 TYR 2.58 2.00 1 55 LYS 3.75 2.98 1 57 GLN 1.55 -0.24 1 58 LYS 3.04 2.31 1 59 ASP 0.76 0.09 1 60 LEU -4.00 -1.56 1 61 VAL -3.02 -0.96 1 62 ILE 1.52 -0.50 1 63 ALA -7.07 -1.83 1 64 LYS -5.45 -1.42 1 66 ASP 0.34 -1.70 1 67 ALA -0.76 0.00 1 68 THR 1.33 0.80 1 69 ALA -3.33 -1.33 1 70 ASN -5.53 -0.61 1 71 ASP -0.92 -0.49 1 72 ILE -0.15 -0.25 1 73 THR 1.15 0.04 1 74 ASN -1.09 0.12 1 75 ASP 2.46 2.06 1 76 GLN 2.17 1.26 1 77 TYR 0.98 -1.18 1 78 LYS -0.36 0.09 1 79 VAL 1.26 0.77 1 80 GLU -1.80 -1.40 1 82 PHE -4.03 -1.29 1 84 THR -0.62 1.77 1 85 ILE -4.32 -1.34 1 86 TYR -6.42 -1.14 1 87 PHE -3.08 -0.41 1 88 ALA -5.30 -2.46 1 90 SER 4.41 3.00 1 92 ASP -0.03 -0.75 1 93 LYS 0.90 -0.50 1 94 LYS 1.34 0.56 1 95 ASN -1.56 -0.24 1 97 ILE -2.22 -0.35 1 98 LYS -0.62 0.21 1 99 PHE 1.86 0.88 1 100 GLU -2.86 -1.28 1 103 ASN -0.18 -1.04 1 104 ARG 0.06 -1.72 1 105 ASP -3.38 -2.58 1 106 LEU 3.95 3.86 1 107 GLU 4.01 3.38 1 108 HIS 7.19 7.00 1 109 LEU 3.33 3.35 1 110 SER 5.65 4.35 1 111 LYS 3.99 3.44 1 112 PHE 2.85 3.33 1 113 ILE 4.76 4.36 1 114 ASP 4.38 2.94 1 115 GLU 1.74 1.48 1 116 HIS 0.74 1.85 1 117 ALA 1.27 0.63 1 118 THR 3.33 2.55 1 119 LYS 0.34 -0.28 1 120 ARG -0.24 -0.09 1 121 SER 0.16 0.18 1 122 ARG -0.22 0.02 1 123 THR -0.27 0.05 1 124 LYS 1.34 1.02 1 125 GLU 0.58 0.73 1 126 GLU -0.17 0.19 1 127 LEU 0.32 0.24 1 128 SER -0.09 0.10 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr11109_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -9.20 _LACS_plot.Line_1_terminator_val_y_1 5.94 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.52 _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 9.91 _LACS_plot.Line_2_terminator_val_y_2 -1.68 _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 22 MET 1.82 -4.20 0 65 MET -6.72 6.71 0 10 LYS -0.55 -0.26 1 11 VAL 1.78 -0.45 1 12 VAL -1.62 1.07 1 13 VAL -5.22 2.24 1 15 LYS 2.18 -0.20 1 16 THR -0.75 -0.28 1 17 PHE 4.87 0.45 1 18 ASP 4.82 -1.36 1 19 ALA 2.35 -0.44 1 20 ILE 1.22 0.30 1 21 VAL 5.93 -2.37 1 23 ASP -2.13 1.46 1 25 LYS 0.42 -0.47 1 26 LYS -5.46 3.03 1 27 ASP -2.04 1.61 1 28 VAL -5.38 3.13 1 29 LEU -4.38 2.53 1 30 ILE -9.20 3.61 1 31 GLU -2.34 -0.83 1 32 PHE -2.08 0.65 1 33 TYR -7.14 4.11 1 34 ALA -4.22 1.28 1 36 TRP -3.19 -0.34 1 39 HIS 2.33 1.87 1 41 LYS 4.51 -0.89 1 42 GLN 3.50 -0.61 1 43 LEU 0.25 -0.06 1 44 GLU 9.91 -2.17 1 46 ILE 3.42 -0.51 1 47 TYR 4.93 0.04 1 48 THR 6.60 -1.36 1 49 SER 5.49 -1.20 1 50 LEU 3.05 -0.02 1 52 LYS 4.25 -0.44 1 53 LYS 3.48 -0.47 1 54 TYR 2.58 -0.58 1 55 LYS 3.75 -0.77 1 57 GLN 1.55 -1.79 1 58 LYS 3.04 -0.73 1 59 ASP 0.76 -0.67 1 60 LEU -4.00 2.44 1 61 VAL -3.02 2.06 1 62 ILE 1.52 -2.02 1 63 ALA -7.07 5.24 1 64 LYS -5.45 4.03 1 66 ASP 0.34 -2.04 1 67 ALA -0.76 0.76 1 68 THR 1.33 -0.53 1 69 ALA -3.33 2.00 1 70 ASN -5.53 4.92 1 71 ASP -0.92 0.43 1 72 ILE -0.15 -0.10 1 73 THR 1.15 -1.11 1 74 ASN -1.09 1.21 1 75 ASP 2.46 -0.40 1 76 GLN 2.17 -0.91 1 77 TYR 0.98 -2.16 1 78 LYS -0.36 0.45 1 79 VAL 1.26 -0.49 1 80 GLU -1.80 0.40 1 82 PHE -4.03 2.74 1 84 THR -0.62 2.39 1 85 ILE -4.32 2.98 1 86 TYR -6.42 5.28 1 87 PHE -3.08 2.67 1 88 ALA -5.30 2.84 1 90 SER 4.41 -1.41 1 92 ASP -0.03 -0.72 1 93 LYS 0.90 -1.40 1 94 LYS 1.34 -0.78 1 95 ASN -1.56 1.32 1 97 ILE -2.22 1.87 1 98 LYS -0.62 0.83 1 99 PHE 1.86 -0.98 1 100 GLU -2.86 1.58 1 103 ASN -0.18 -0.86 1 104 ARG 0.06 -1.78 1 105 ASP -3.38 0.80 1 106 LEU 3.95 -0.09 1 107 GLU 4.01 -0.63 1 108 HIS 7.19 -0.19 1 109 LEU 3.33 0.02 1 110 SER 5.65 -1.30 1 111 LYS 3.99 -0.55 1 112 PHE 2.85 0.48 1 113 ILE 4.76 -0.40 1 114 ASP 4.38 -1.44 1 115 GLU 1.74 -0.26 1 116 HIS 0.74 1.11 1 117 ALA 1.27 -0.64 1 118 THR 3.33 -0.78 1 119 LYS 0.34 -0.62 1 120 ARG -0.24 0.15 1 121 SER 0.16 0.02 1 122 ARG -0.22 0.24 1 123 THR -0.27 0.32 1 124 LYS 1.34 -0.32 1 125 GLU 0.58 0.15 1 126 GLU -0.17 0.36 1 127 LEU 0.32 -0.08 1 128 SER -0.09 0.19 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr11109_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -9.20 _LACS_plot.Line_1_terminator_val_y_1 0.95 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.20 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.15 _LACS_plot.Line_2_terminator_val_x_2 9.91 _LACS_plot.Line_2_terminator_val_y_2 -0.82 _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 66 ASP 0.34 -1.29 0 10 LYS -0.55 0.05 1 11 VAL 1.78 0.12 1 12 VAL -1.62 -0.21 1 13 VAL -5.22 0.54 1 15 LYS 2.18 0.04 1 16 THR -0.75 0.34 1 17 PHE 4.87 -0.88 1 18 ASP 4.82 -0.57 1 19 ALA 2.35 -0.40 1 20 ILE 1.22 -0.05 1 21 VAL 5.93 -0.87 1 22 MET 1.82 -0.12 1 23 ASP -2.13 -0.40 1 25 LYS 0.42 -0.04 1 26 LYS -5.46 0.51 1 27 ASP -2.04 0.04 1 28 VAL -5.38 0.89 1 29 LEU -4.38 0.94 1 30 ILE -9.20 0.88 1 31 GLU -2.34 0.42 1 32 PHE -2.08 1.23 1 33 TYR -7.14 0.85 1 34 ALA -4.22 -0.33 1 36 TRP -3.19 -0.05 1 39 HIS 2.33 -0.10 1 41 LYS 4.51 -0.29 1 42 GLN 3.50 -0.27 1 43 LEU 0.25 0.06 1 44 GLU 9.91 -0.47 1 46 ILE 3.42 -0.37 1 47 TYR 4.93 -0.73 1 48 THR 6.60 -0.51 1 49 SER 5.49 -0.34 1 50 LEU 3.05 -0.40 1 52 LYS 4.25 -0.37 1 53 LYS 3.48 -0.39 1 54 TYR 2.58 -0.21 1 55 LYS 3.75 -0.16 1 57 GLN 1.55 0.19 1 58 LYS 3.04 -0.17 1 59 ASP 0.76 0.04 1 60 LEU -4.00 0.99 1 61 VAL -3.02 0.09 1 62 ILE 1.52 0.35 1 63 ALA -7.07 1.53 1 64 LYS -5.45 1.26 1 65 MET -6.72 0.30 1 67 ALA -0.76 0.30 1 68 THR 1.33 0.23 1 69 ALA -3.33 0.28 1 70 ASN -5.53 0.15 1 71 ASP -0.92 -0.05 1 72 ILE -0.15 -0.43 1 73 THR 1.15 -0.17 1 74 ASN -1.09 0.03 1 75 ASP 2.46 -0.41 1 76 GLN 2.17 -0.19 1 77 TYR 0.98 -1.01 1 78 LYS -0.36 -0.25 1 79 VAL 1.26 -0.22 1 80 GLU -1.80 0.06 1 82 PHE -4.03 0.22 1 84 THR -0.62 0.26 1 85 ILE -4.32 1.16 1 86 TYR -6.42 1.22 1 87 PHE -3.08 0.64 1 88 ALA -5.30 0.48 1 90 SER 4.41 -0.78 1 92 ASP -0.03 0.36 1 93 LYS 0.90 -0.41 1 94 LYS 1.34 -0.04 1 95 ASN -1.56 0.14 1 97 ILE -2.22 0.21 1 98 LYS -0.62 -0.03 1 99 PHE 1.86 -0.88 1 100 GLU -2.86 -0.04 1 103 ASN -0.18 -0.05 1 104 ARG 0.06 -0.06 1 105 ASP -3.38 0.15 1 106 LEU 3.95 -0.49 1 107 GLU 4.01 -0.32 1 108 HIS 7.19 -0.45 1 109 LEU 3.33 -0.24 1 110 SER 5.65 -0.35 1 111 LYS 3.99 -0.30 1 112 PHE 2.85 0.04 1 113 ILE 4.76 -1.13 1 114 ASP 4.38 -0.45 1 115 GLU 1.74 -0.47 1 116 HIS 0.74 -0.35 1 117 ALA 1.27 -0.02 1 118 THR 3.33 -0.21 1 119 LYS 0.34 0.09 1 120 ARG -0.24 0.04 1 121 SER 0.16 0.00 1 122 ARG -0.22 0.18 1 123 THR -0.27 -0.01 1 124 LYS 1.34 -0.09 1 125 GLU 0.58 -0.13 1 126 GLU -0.17 -0.10 1 127 LEU 0.32 0.04 1 128 SER -0.09 0.04 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr11109_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -9.20 _LACS_plot.Line_1_terminator_val_y_1 -3.89 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.36 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.14 _LACS_plot.Line_2_terminator_val_x_2 9.91 _LACS_plot.Line_2_terminator_val_y_2 3.30 _LACS_plot.Y_axis_chem_shift_offset 0.39 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 39 HIS 2.33 6.36 0 10 LYS -0.55 -1.23 1 11 VAL 1.78 -0.91 1 12 VAL -1.62 -2.34 1 13 VAL -5.22 0.82 1 15 LYS 2.18 0.85 1 16 THR -0.75 -0.86 1 17 PHE 4.87 1.40 1 18 ASP 4.82 1.88 1 19 ALA 2.35 1.20 1 20 ILE 1.22 0.61 1 21 VAL 5.93 0.71 1 22 MET 1.82 -1.30 1 23 ASP -2.13 0.51 1 25 LYS 0.42 0.33 1 26 LYS -5.46 0.18 1 27 ASP -2.04 -0.89 1 28 VAL -5.38 -3.14 1 29 LEU -4.38 -3.90 1 30 ILE -9.20 -5.46 1 31 GLU -2.34 -2.14 1 32 PHE -2.08 -0.34 1 33 TYR -7.14 -5.23 1 34 ALA -4.22 1.04 1 36 TRP -3.19 -0.12 1 41 LYS 4.51 2.83 1 42 GLN 3.50 1.23 1 43 LEU 0.25 -0.40 1 44 GLU 9.91 -0.20 1 46 ILE 3.42 0.98 1 47 TYR 4.93 2.07 1 48 THR 6.60 1.80 1 49 SER 5.49 2.04 1 50 LEU 3.05 0.63 1 52 LYS 4.25 2.30 1 53 LYS 3.48 1.54 1 54 TYR 2.58 0.45 1 55 LYS 3.75 0.35 1 57 GLN 1.55 -0.27 1 58 LYS 3.04 0.34 1 59 ASP 0.76 -3.78 1 60 LEU -4.00 -2.10 1 61 VAL -3.02 -3.06 1 62 ILE 1.52 -1.74 1 63 ALA -7.07 -1.07 1 64 LYS -5.45 -4.18 1 65 MET -6.72 -2.97 1 66 ASP 0.34 0.66 1 67 ALA -0.76 -1.11 1 68 THR 1.33 0.35 1 69 ALA -3.33 -1.80 1 70 ASN -5.53 -2.51 1 71 ASP -0.92 -1.01 1 72 ILE -0.15 0.23 1 73 THR 1.15 -0.79 1 74 ASN -1.09 0.06 1 75 ASP 2.46 0.51 1 76 GLN 2.17 -0.34 1 77 TYR 0.98 -2.44 1 78 LYS -0.36 0.80 1 79 VAL 1.26 -1.21 1 80 GLU -1.80 -1.57 1 82 PHE -4.03 -0.82 1 84 THR -0.62 -2.54 1 85 ILE -4.32 -2.52 1 86 TYR -6.42 -1.18 1 87 PHE -3.08 -2.24 1 88 ALA -5.30 -1.67 1 90 SER 4.41 0.04 1 92 ASP -0.03 -1.07 1 93 LYS 0.90 1.73 1 94 LYS 1.34 -1.84 1 95 ASN -1.56 -2.57 1 97 ILE -2.22 -0.59 1 98 LYS -0.62 -0.37 1 99 PHE 1.86 -0.78 1 100 GLU -2.86 -0.85 1 103 ASN -0.18 -0.76 1 104 ARG 0.06 -2.81 1 105 ASP -3.38 -1.02 1 106 LEU 3.95 2.35 1 107 GLU 4.01 2.74 1 108 HIS 7.19 5.59 1 109 LEU 3.33 0.59 1 110 SER 5.65 -0.04 1 111 LYS 3.99 1.42 1 112 PHE 2.85 1.39 1 113 ILE 4.76 1.04 1 114 ASP 4.38 2.87 1 115 GLU 1.74 0.59 1 116 HIS 0.74 -0.27 1 117 ALA 1.27 0.38 1 118 THR 3.33 0.76 1 119 LYS 0.34 -0.23 1 120 ARG -0.24 0.08 1 121 SER 0.16 0.00 1 122 ARG -0.22 0.34 1 123 THR -0.27 0.01 1 124 LYS 1.34 0.39 1 125 GLU 0.58 0.28 1 126 GLU -0.17 0.13 1 127 LEU 0.32 -0.10 1 128 SER -0.09 -0.07 1 stop_ save_