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 bmr19843_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.46 _LACS_plot.Line_1_terminator_val_y_1 -2.26 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.87 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.94 _LACS_plot.Line_2_terminator_val_x_2 6.03 _LACS_plot.Line_2_terminator_val_y_2 4.85 _LACS_plot.Y_axis_chem_shift_offset -0.36 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 103 ILE 0.01 -3.62 0 10 SER -2.58 -0.60 1 11 GLU -3.77 -1.89 1 12 LYS -4.33 -0.01 1 13 ASN 3.18 1.08 1 14 TYR 4.05 5.30 1 15 ASP 5.14 5.34 1 16 GLU 2.44 2.55 1 17 PHE 2.45 4.44 1 18 MET 2.59 1.45 1 19 LYS 3.95 3.38 1 20 LEU 2.64 2.23 1 21 LEU -0.35 0.27 1 23 ILE 0.85 -2.21 1 24 SER 0.22 0.73 1 25 SER 5.21 4.14 1 26 ASP 3.65 2.67 1 27 VAL 6.04 4.24 1 28 ILE 5.65 4.83 1 29 GLU 2.73 1.97 1 30 LYS 3.19 3.43 1 31 ALA 0.25 0.33 1 32 ARG 3.62 3.30 1 33 ASN 2.04 1.36 1 34 PHE 1.28 1.94 1 35 LYS 1.25 -0.72 1 36 ILE 1.99 2.83 1 37 VAL -2.67 -1.30 1 38 THR -0.00 0.49 1 39 GLU -5.46 -1.78 1 40 VAL -3.70 -1.54 1 41 GLN -1.99 0.01 1 42 GLN -2.37 -1.72 1 43 ASP -2.28 -1.44 1 45 GLN -0.49 0.03 1 46 ASP -0.35 0.20 1 47 PHE -4.64 -0.48 1 48 THR 1.24 1.41 1 49 TRP -2.70 0.43 1 50 SER -2.98 -0.86 1 51 GLN 2.20 1.40 1 52 HIS -1.16 -0.46 1 53 TYR -4.01 -2.34 1 54 SER 3.33 2.68 1 57 HIS 0.24 1.14 1 58 THR -2.51 0.15 1 59 MET -3.97 -0.29 1 60 THR -1.23 0.60 1 61 ASN -6.87 -0.09 1 62 LYS -4.13 -0.94 1 63 PHE -2.98 -1.28 1 64 THR -2.87 -0.48 1 65 VAL 3.27 2.52 1 67 LYS -4.83 -1.75 1 68 GLU 1.24 1.70 1 69 SER -3.48 -0.25 1 70 ASN 0.20 0.65 1 71 ILE -2.27 -3.72 1 72 GLN -4.24 -1.17 1 73 THR -1.32 -1.24 1 74 MET 3.77 4.24 1 77 LYS -0.05 -0.05 1 78 THR -1.35 -0.49 1 79 PHE -2.43 -2.13 1 80 LYS -2.73 -1.27 1 81 ALA -6.60 -1.39 1 82 THR 0.92 0.07 1 83 VAL 0.83 0.21 1 84 GLN -3.57 -1.64 1 85 MET -3.71 -0.79 1 86 GLU -3.28 -1.72 1 89 LYS -2.70 -1.10 1 90 LEU -1.56 -0.97 1 91 VAL -3.88 -1.02 1 92 VAL -4.93 -2.42 1 93 ASN -3.47 0.28 1 94 PHE -2.08 -1.88 1 96 ASN 0.28 1.11 1 97 TYR -2.79 1.61 1 98 HIS -4.60 -0.97 1 99 GLN -4.22 -1.16 1 100 THR -4.12 -1.99 1 101 SER -2.72 -0.38 1 102 GLU -6.09 -1.19 1 104 VAL -1.33 -0.79 1 106 ASP -0.09 0.51 1 107 LYS -3.74 -1.39 1 108 LEU -0.99 -0.49 1 109 VAL -0.89 0.21 1 110 GLU -6.60 -2.08 1 111 VAL -1.39 -0.02 1 112 SER -2.74 0.08 1 113 THR -2.63 0.03 1 114 ILE -3.64 -0.36 1 117 VAL 0.32 0.81 1 118 THR -0.86 0.18 1 119 TYR -5.81 -2.47 1 120 GLU -7.46 -3.27 1 121 ARG -5.94 -0.82 1 122 VAL -1.64 -0.66 1 123 SER -2.68 -0.71 1 124 LYS -2.03 -1.18 1 125 ARG 1.82 2.10 1 126 LEU -1.59 -0.27 1 127 ALA -0.35 1.47 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19843_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.46 _LACS_plot.Line_1_terminator_val_y_1 5.20 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.13 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 1.06 _LACS_plot.Line_2_terminator_val_x_2 6.03 _LACS_plot.Line_2_terminator_val_y_2 -1.18 _LACS_plot.Y_axis_chem_shift_offset -0.36 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 103 ILE 0.01 -3.63 0 10 SER -2.58 1.98 1 11 GLU -3.77 1.88 1 12 LYS -4.33 4.32 1 13 ASN 3.18 -2.10 1 14 TYR 4.05 1.25 1 15 ASP 5.14 0.20 1 16 GLU 2.44 0.11 1 17 PHE 2.45 1.99 1 18 MET 2.59 -1.14 1 19 LYS 3.95 -0.57 1 20 LEU 2.64 -0.41 1 21 LEU -0.35 0.62 1 23 ILE 0.85 -3.06 1 24 SER 0.22 0.51 1 25 SER 5.21 -1.07 1 26 ASP 3.65 -0.98 1 27 VAL 6.04 -1.80 1 28 ILE 5.65 -0.82 1 29 GLU 2.73 -0.76 1 30 LYS 3.19 0.24 1 31 ALA 0.25 0.08 1 32 ARG 3.62 -0.32 1 33 ASN 2.04 -0.68 1 34 PHE 1.28 0.66 1 35 LYS 1.25 -1.97 1 36 ILE 1.99 0.84 1 37 VAL -2.67 1.37 1 38 THR -0.00 0.49 1 39 GLU -5.46 3.68 1 40 VAL -3.70 2.16 1 41 GLN -1.99 2.00 1 42 GLN -2.37 0.65 1 43 ASP -2.28 0.84 1 45 GLN -0.49 0.52 1 46 ASP -0.35 0.55 1 47 PHE -4.64 4.16 1 48 THR 1.24 0.17 1 49 TRP -2.70 3.13 1 50 SER -2.98 2.12 1 51 GLN 2.20 -0.80 1 52 HIS -1.16 0.70 1 53 TYR -4.01 1.67 1 54 SER 3.33 -0.65 1 57 HIS 0.24 0.90 1 58 THR -2.51 2.66 1 59 MET -3.97 3.68 1 60 THR -1.23 1.83 1 61 ASN -6.87 6.78 1 62 LYS -4.13 3.19 1 63 PHE -2.98 1.70 1 64 THR -2.87 2.39 1 65 VAL 3.27 -0.75 1 67 LYS -4.83 3.08 1 68 GLU 1.24 0.46 1 69 SER -3.48 3.23 1 70 ASN 0.20 0.45 1 71 ILE -2.27 -1.45 1 72 GLN -4.24 3.07 1 73 THR -1.32 0.08 1 74 MET 3.77 0.47 1 77 LYS -0.05 0.00 1 78 THR -1.35 0.86 1 79 PHE -2.43 0.30 1 80 LYS -2.73 1.46 1 81 ALA -6.60 5.21 1 82 THR 0.92 -0.85 1 83 VAL 0.83 -0.62 1 84 GLN -3.57 1.93 1 85 MET -3.71 2.92 1 86 GLU -3.28 1.56 1 89 LYS -2.70 1.60 1 90 LEU -1.56 0.59 1 91 VAL -3.88 2.86 1 92 VAL -4.93 2.51 1 93 ASN -3.47 3.75 1 94 PHE -2.08 0.20 1 96 ASN 0.28 0.83 1 97 TYR -2.79 4.40 1 98 HIS -4.60 3.63 1 99 GLN -4.22 3.06 1 100 THR -4.12 2.13 1 101 SER -2.72 2.34 1 102 GLU -6.09 4.90 1 104 VAL -1.33 0.54 1 106 ASP -0.09 0.60 1 107 LYS -3.74 2.35 1 108 LEU -0.99 0.50 1 109 VAL -0.89 1.10 1 110 GLU -6.60 4.52 1 111 VAL -1.39 1.37 1 112 SER -2.74 2.82 1 113 THR -2.63 2.66 1 114 ILE -3.64 3.28 1 117 VAL 0.32 0.49 1 118 THR -0.86 1.04 1 119 TYR -5.81 3.34 1 120 GLU -7.46 4.19 1 121 ARG -5.94 5.12 1 122 VAL -1.64 0.98 1 123 SER -2.68 1.97 1 124 LYS -2.03 0.85 1 125 ARG 1.82 0.28 1 126 LEU -1.59 1.32 1 127 ALA -0.35 1.82 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19843_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.46 _LACS_plot.Line_1_terminator_val_y_1 1.11 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.10 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.44 _LACS_plot.Line_2_terminator_val_x_2 6.03 _LACS_plot.Line_2_terminator_val_y_2 -0.69 _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 54 SER 3.33 -1.90 0 10 SER -2.58 0.34 1 11 GLU -3.77 1.04 1 12 LYS -4.33 0.30 1 13 ASN 3.18 -0.05 1 14 TYR 4.05 -0.28 1 15 ASP 5.14 -0.84 1 16 GLU 2.44 -0.41 1 17 PHE 2.45 -0.54 1 18 MET 2.59 -0.51 1 19 LYS 3.95 -0.38 1 20 LEU 2.64 -0.36 1 21 LEU -0.35 -0.59 1 23 ILE 0.85 -0.29 1 24 SER 0.22 -0.20 1 25 SER 5.21 -0.51 1 26 ASP 3.65 -0.28 1 27 VAL 6.04 -0.67 1 28 ILE 5.65 -0.73 1 29 GLU 2.73 0.01 1 30 LYS 3.19 -0.23 1 31 ALA 0.25 0.01 1 32 ARG 3.62 -0.75 1 33 ASN 2.04 -0.38 1 34 PHE 1.28 -0.30 1 35 LYS 1.25 -0.08 1 36 ILE 1.99 0.16 1 37 VAL -2.67 1.27 1 38 THR -0.00 0.77 1 39 GLU -5.46 0.88 1 40 VAL -3.70 0.75 1 41 GLN -1.99 0.19 1 42 GLN -2.37 -0.03 1 43 ASP -2.28 0.13 1 45 GLN -0.49 0.16 1 46 ASP -0.35 0.49 1 47 PHE -4.64 0.43 1 48 THR 1.24 0.49 1 49 TRP -2.70 0.42 1 50 SER -2.98 1.82 1 51 GLN 2.20 0.91 1 52 HIS -1.16 0.84 1 53 TYR -4.01 0.77 1 57 HIS 0.24 -0.24 1 58 THR -2.51 1.14 1 59 MET -3.97 0.53 1 60 THR -1.23 0.75 1 61 ASN -6.87 0.44 1 62 LYS -4.13 1.17 1 63 PHE -2.98 0.34 1 64 THR -2.87 1.15 1 65 VAL 3.27 -0.12 1 67 LYS -4.83 0.39 1 68 GLU 1.24 -0.11 1 69 SER -3.48 0.55 1 70 ASN 0.20 0.18 1 71 ILE -2.27 -0.10 1 72 GLN -4.24 1.23 1 73 THR -1.32 0.15 1 74 MET 3.77 -0.25 1 77 LYS -0.05 0.16 1 78 THR -1.35 1.23 1 79 PHE -2.43 0.30 1 80 LYS -2.73 0.61 1 81 ALA -6.60 0.50 1 82 THR 0.92 0.13 1 83 VAL 0.83 -0.38 1 84 GLN -3.57 0.58 1 85 MET -3.71 1.08 1 86 GLU -3.28 0.29 1 89 LYS -2.70 0.73 1 90 LEU -1.56 0.57 1 91 VAL -3.88 0.68 1 92 VAL -4.93 0.24 1 93 ASN -3.47 0.62 1 94 PHE -2.08 0.48 1 96 ASN 0.28 -0.20 1 97 TYR -2.79 0.53 1 98 HIS -4.60 0.54 1 99 GLN -4.22 1.05 1 100 THR -4.12 1.23 1 101 SER -2.72 0.98 1 102 GLU -6.09 0.62 1 103 ILE 0.01 0.80 1 104 VAL -1.33 0.08 1 106 ASP -0.09 -0.03 1 107 LYS -3.74 0.72 1 108 LEU -0.99 0.28 1 109 VAL -0.89 0.58 1 110 GLU -6.60 1.21 1 111 VAL -1.39 0.56 1 112 SER -2.74 0.91 1 113 THR -2.63 1.29 1 114 ILE -3.64 0.39 1 117 VAL 0.32 0.10 1 118 THR -0.86 0.95 1 119 TYR -5.81 0.43 1 120 GLU -7.46 0.69 1 121 ARG -5.94 0.37 1 122 VAL -1.64 0.81 1 123 SER -2.68 0.86 1 124 LYS -2.03 0.40 1 125 ARG 1.82 -0.22 1 126 LEU -1.59 0.05 1 127 ALA -0.35 -0.26 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19843_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.46 _LACS_plot.Line_1_terminator_val_y_1 -3.09 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.17 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.23 _LACS_plot.Line_2_terminator_val_x_2 6.03 _LACS_plot.Line_2_terminator_val_y_2 1.51 _LACS_plot.Y_axis_chem_shift_offset 0.53 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 28 ILE 5.65 3.20 0 19 LYS 3.95 3.70 0 35 LYS 1.25 -3.70 0 10 SER -2.58 -3.50 1 11 GLU -3.77 -1.80 1 12 LYS -4.33 -2.20 1 13 ASN 3.18 -0.30 1 14 TYR 4.05 0.00 1 15 ASP 5.14 2.10 1 16 GLU 2.44 2.20 1 17 PHE 2.45 0.70 1 18 MET 2.59 2.20 1 20 LEU 2.64 0.40 1 21 LEU -0.35 -1.70 1 23 ILE 0.85 -1.00 1 24 SER 0.22 1.10 1 25 SER 5.21 1.60 1 26 ASP 3.65 2.20 1 27 VAL 6.04 0.50 1 29 GLU 2.73 2.30 1 30 LYS 3.19 2.30 1 31 ALA 0.25 0.70 1 32 ARG 3.62 0.90 1 33 ASN 2.04 -1.30 1 34 PHE 1.28 0.00 1 36 ILE 1.99 0.40 1 37 VAL -2.67 -1.00 1 38 THR -0.00 -1.50 1 39 GLU -5.46 -2.50 1 40 VAL -3.70 -0.40 1 41 GLN -1.99 -2.90 1 42 GLN -2.37 -2.30 1 43 ASP -2.28 -0.60 1 45 GLN -0.49 -1.60 1 46 ASP -0.35 -1.50 1 47 PHE -4.64 0.70 1 48 THR 1.24 -1.90 1 49 TRP -2.70 -0.20 1 50 SER -2.98 -2.30 1 51 GLN 2.20 -1.30 1 52 HIS -1.16 0.20 1 53 TYR -4.01 -1.70 1 54 SER 3.33 -0.90 1 57 HIS 0.24 -0.40 1 58 THR -2.51 -1.20 1 59 MET -3.97 -2.40 1 60 THR -1.23 -2.10 1 61 ASN -6.87 -2.80 1 62 LYS -4.13 -1.80 1 63 PHE -2.98 -3.30 1 64 THR -2.87 0.80 1 65 VAL 3.27 0.50 1 67 LYS -4.83 -2.00 1 68 GLU 1.24 0.00 1 69 SER -3.48 -3.30 1 70 ASN 0.20 -1.80 1 71 ILE -2.27 -3.20 1 72 GLN -4.24 0.40 1 73 THR -1.32 2.20 1 74 MET 3.77 1.60 1 77 LYS -0.05 -0.90 1 78 THR -1.35 -0.80 1 79 PHE -2.43 -4.20 1 80 LYS -2.73 -0.50 1 81 ALA -6.60 -1.60 1 82 THR 0.92 -1.80 1 83 VAL 0.83 -1.10 1 84 GLN -3.57 -1.60 1 85 MET -3.71 -0.80 1 86 GLU -3.28 0.40 1 89 LYS -2.70 -0.70 1 90 LEU -1.56 -0.80 1 91 VAL -3.88 -1.30 1 92 VAL -4.93 -3.50 1 93 ASN -3.47 -2.20 1 96 ASN 0.28 -2.10 1 97 TYR -2.79 -2.80 1 98 HIS -4.60 -2.30 1 99 GLN -4.22 -1.20 1 100 THR -4.12 -0.50 1 101 SER -2.72 -2.00 1 102 GLU -6.09 -3.90 1 103 ILE 0.01 0.00 1 104 VAL -1.33 0.90 1 106 ASP -0.09 -2.30 1 107 LYS -3.74 -2.40 1 108 LEU -0.99 -2.50 1 109 VAL -0.89 -0.50 1 110 GLU -6.60 -1.60 1 111 VAL -1.39 -0.80 1 112 SER -2.74 -2.10 1 113 THR -2.63 -0.40 1 114 ILE -3.64 0.00 1 117 VAL 0.32 -2.40 1 118 THR -0.86 -1.60 1 119 TYR -5.81 -3.00 1 120 GLU -7.46 -3.50 1 121 ARG -5.94 -2.10 1 122 VAL -1.64 0.10 1 123 SER -2.68 -2.10 1 124 LYS -2.03 -1.40 1 125 ARG 1.82 0.20 1 126 LEU -1.59 -1.30 1 stop_ save_