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 bmr26012_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -0.88 _LACS_plot.Line_1_terminator_val_y_1 -0.26 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.38 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.22 _LACS_plot.Line_2_terminator_val_x_2 6.86 _LACS_plot.Line_2_terminator_val_y_2 5.44 _LACS_plot.Y_axis_chem_shift_offset -0.26 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 61 ARG 1.70 3.68 0 35 HIS 1.89 3.84 0 10 ASP 0.70 0.80 1 11 HIS -0.25 1.34 1 12 ILE -0.35 -0.07 1 13 GLU -0.88 -0.26 1 14 VAL -0.55 -0.20 1 15 SER -0.75 -0.29 1 16 ASP 0.11 0.42 1 17 ASP 0.05 0.39 1 18 GLU -0.24 0.28 1 19 ASP -0.02 0.37 1 20 GLU -0.07 0.34 1 21 THR 0.57 0.55 1 22 HIS -0.21 1.11 1 24 ASN 0.36 0.32 1 25 ILE -0.40 0.11 1 26 ASP -0.17 0.00 1 27 THR 2.90 2.26 1 28 ALA 2.51 2.01 1 29 SER 2.48 1.89 1 30 LEU 2.29 1.95 1 31 PHE 2.54 1.89 1 36 GLN 2.78 2.18 1 37 ALA 2.22 1.65 1 38 ARG 1.05 2.77 1 39 VAL 4.24 3.40 1 42 MET 3.69 3.41 1 43 GLU 3.33 3.00 1 44 GLN 4.37 3.10 1 48 GLU 3.40 2.99 1 49 LYS 5.22 4.25 1 50 GLU 3.51 2.91 1 51 GLU 3.47 2.94 1 52 LEU 2.59 2.91 1 53 ASP 3.03 3.66 1 54 ARG 4.67 3.86 1 57 ARG 4.84 4.02 1 58 GLU 2.73 2.16 1 60 LYS 5.29 4.39 1 62 LYS 6.86 4.19 1 63 VAL 5.53 5.04 1 64 ALA 3.95 2.75 1 65 GLU 2.70 2.45 1 67 GLN 4.36 3.42 1 68 ARG 4.67 3.79 1 69 LYS 3.70 3.35 1 70 LEU 3.62 3.56 1 71 LYS 3.66 2.42 1 72 GLU 2.19 2.14 1 73 LEU 1.62 1.73 1 74 GLU 2.10 2.37 1 75 VAL 1.32 0.47 1 76 ALA -0.79 -0.32 1 77 GLU 1.63 0.76 1 80 LYS 3.59 3.04 1 81 ALA 3.77 2.74 1 82 GLU 2.56 2.11 1 83 LEU 3.91 3.58 1 84 GLU 3.72 3.18 1 85 ARG 4.25 3.66 1 86 LEU 2.56 2.60 1 87 GLN 4.73 3.58 1 88 ALA 4.02 2.68 1 89 GLU 3.39 3.16 1 90 ALA 4.30 3.27 1 91 GLN 4.18 3.33 1 92 GLN 4.59 3.24 1 93 LEU 2.44 2.74 1 94 ARG 4.06 3.12 1 95 LYS 4.56 3.70 1 96 GLU 3.58 3.04 1 97 GLU 3.72 4.28 1 98 ARG 3.75 2.81 1 99 SER 4.97 3.41 1 100 TRP 3.85 3.99 1 101 GLU 3.64 3.47 1 102 GLN 4.58 3.53 1 104 LEU 3.75 3.44 1 105 GLU 3.46 2.83 1 106 GLU 3.31 2.84 1 107 MET 3.88 3.15 1 108 ARG 4.28 3.69 1 109 LYS 4.04 3.41 1 110 LYS 3.36 2.87 1 111 GLU 2.77 2.93 1 112 LYS 2.36 1.68 1 113 SER -0.31 0.05 1 114 MET 1.63 -0.09 1 116 TRP 1.05 -0.19 1 117 ASN -0.43 0.18 1 118 VAL 0.54 0.54 1 119 ASP 0.36 0.56 1 120 THR 0.84 0.60 1 121 LEU 0.61 0.51 1 122 SER 0.19 0.17 1 123 LYS 0.77 0.55 1 124 ASP 0.23 0.51 1 126 PHE -0.06 0.13 1 127 SER -0.14 0.16 1 128 LYS 1.04 1.70 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26012_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -0.88 _LACS_plot.Line_1_terminator_val_y_1 0.62 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.62 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.78 _LACS_plot.Line_2_terminator_val_x_2 6.86 _LACS_plot.Line_2_terminator_val_y_2 -1.42 _LACS_plot.Y_axis_chem_shift_offset -0.26 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 61 ARG 1.70 1.98 0 35 HIS 1.89 1.95 0 10 ASP 0.70 0.10 1 11 HIS -0.25 1.59 1 12 ILE -0.35 0.28 1 13 GLU -0.88 0.62 1 14 VAL -0.55 0.35 1 15 SER -0.75 0.46 1 16 ASP 0.11 0.31 1 17 ASP 0.05 0.34 1 18 GLU -0.24 0.52 1 19 ASP -0.02 0.39 1 20 GLU -0.07 0.41 1 21 THR 0.57 -0.02 1 22 HIS -0.21 1.32 1 24 ASN 0.36 -0.04 1 25 ILE -0.40 0.51 1 26 ASP -0.17 0.17 1 27 THR 2.90 -0.64 1 28 ALA 2.51 -0.50 1 29 SER 2.48 -0.59 1 30 LEU 2.29 -0.34 1 31 PHE 2.54 -0.65 1 36 GLN 2.78 -0.60 1 37 ALA 2.22 -0.57 1 38 ARG 1.05 1.72 1 39 VAL 4.24 -0.84 1 42 MET 3.69 -0.28 1 43 GLU 3.33 -0.33 1 44 GLN 4.37 -1.27 1 48 GLU 3.40 -0.41 1 49 LYS 5.22 -0.97 1 50 GLU 3.51 -0.60 1 51 GLU 3.47 -0.53 1 52 LEU 2.59 0.32 1 53 ASP 3.03 0.63 1 54 ARG 4.67 -0.81 1 57 ARG 4.84 -0.82 1 58 GLU 2.73 -0.57 1 60 LYS 5.29 -0.90 1 62 LYS 6.86 -2.67 1 63 VAL 5.53 -0.49 1 64 ALA 3.95 -1.20 1 65 GLU 2.70 -0.25 1 67 GLN 4.36 -0.94 1 68 ARG 4.67 -0.88 1 69 LYS 3.70 -0.35 1 70 LEU 3.62 -0.06 1 71 LYS 3.66 -1.24 1 72 GLU 2.19 -0.05 1 73 LEU 1.62 0.11 1 74 GLU 2.10 0.27 1 75 VAL 1.32 -0.85 1 76 ALA -0.79 0.47 1 77 GLU 1.63 -0.87 1 80 LYS 3.59 -0.55 1 81 ALA 3.77 -1.03 1 82 GLU 2.56 -0.45 1 83 LEU 3.91 -0.33 1 84 GLU 3.72 -0.54 1 85 ARG 4.25 -0.59 1 86 LEU 2.56 0.04 1 87 GLN 4.73 -1.15 1 88 ALA 4.02 -1.34 1 89 GLU 3.39 -0.23 1 90 ALA 4.30 -1.03 1 91 GLN 4.18 -0.85 1 92 GLN 4.59 -1.35 1 93 LEU 2.44 0.30 1 94 ARG 4.06 -0.94 1 95 LYS 4.56 -0.86 1 96 GLU 3.58 -0.54 1 97 GLU 3.72 0.56 1 98 ARG 3.75 -0.94 1 99 SER 4.97 -1.56 1 100 TRP 3.85 0.14 1 101 GLU 3.64 -0.17 1 102 GLN 4.58 -1.05 1 104 LEU 3.75 -0.31 1 105 GLU 3.46 -0.63 1 106 GLU 3.31 -0.47 1 107 MET 3.88 -0.73 1 108 ARG 4.28 -0.59 1 109 LYS 4.04 -0.63 1 110 LYS 3.36 -0.49 1 111 GLU 2.77 0.16 1 112 LYS 2.36 -0.68 1 113 SER -0.31 0.36 1 114 MET 1.63 -1.72 1 116 TRP 1.05 -1.24 1 117 ASN -0.43 0.61 1 118 VAL 0.54 0.00 1 119 ASP 0.36 0.20 1 120 THR 0.84 -0.24 1 121 LEU 0.61 -0.10 1 122 SER 0.19 -0.02 1 123 LYS 0.77 -0.22 1 124 ASP 0.23 0.28 1 126 PHE -0.06 0.19 1 127 SER -0.14 0.30 1 128 LYS 1.04 0.66 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26012_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -0.88 _LACS_plot.Line_1_terminator_val_y_1 0.02 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.15 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.07 _LACS_plot.Line_2_terminator_val_x_2 6.86 _LACS_plot.Line_2_terminator_val_y_2 -0.41 _LACS_plot.Y_axis_chem_shift_offset 0.04 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 114 MET 1.63 -0.56 0 10 ASP 0.70 -0.11 1 11 HIS -0.25 -0.36 1 12 ILE -0.35 -0.06 1 13 GLU -0.88 -0.01 1 14 VAL -0.55 0.07 1 15 SER -0.75 0.05 1 16 ASP 0.11 0.00 1 17 ASP 0.05 -0.14 1 18 GLU -0.24 -0.09 1 19 ASP -0.02 -0.05 1 20 GLU -0.07 -0.06 1 21 THR 0.57 -0.12 1 24 ASN 0.36 -0.01 1 25 ILE -0.40 0.02 1 26 ASP -0.17 0.05 1 27 THR 2.90 -0.29 1 28 ALA 2.51 -0.08 1 29 SER 2.48 -0.21 1 31 PHE 2.54 -0.24 1 36 GLN 2.78 -0.25 1 37 ALA 2.22 -0.15 1 39 VAL 4.24 -0.42 1 43 GLU 3.33 -0.24 1 49 LYS 5.22 -0.50 1 50 GLU 3.51 -0.24 1 51 GLU 3.47 -0.26 1 52 LEU 2.59 -0.18 1 53 ASP 3.03 -0.32 1 54 ARG 4.67 -0.38 1 60 LYS 5.29 -0.43 1 62 LYS 6.86 -0.25 1 63 VAL 5.53 -0.54 1 64 ALA 3.95 -0.15 1 65 GLU 2.70 -0.23 1 67 GLN 4.36 -0.27 1 68 ARG 4.67 -0.18 1 69 LYS 3.70 -0.24 1 70 LEU 3.62 -0.38 1 71 LYS 3.66 -0.18 1 72 GLU 2.19 -0.28 1 73 LEU 1.62 -0.14 1 74 GLU 2.10 -0.28 1 75 VAL 1.32 0.08 1 76 ALA -0.79 0.13 1 77 GLU 1.63 -0.15 1 82 GLU 2.56 -0.13 1 83 LEU 3.91 -0.38 1 84 GLU 3.72 -0.31 1 85 ARG 4.25 -0.19 1 86 LEU 2.56 -0.14 1 87 GLN 4.73 -0.26 1 88 ALA 4.02 -0.07 1 89 GLU 3.39 -0.25 1 90 ALA 4.30 -0.22 1 91 GLN 4.18 -0.23 1 92 GLN 4.59 -0.21 1 94 ARG 4.06 -0.05 1 95 LYS 4.56 -0.23 1 96 GLU 3.58 -0.36 1 99 SER 4.97 -0.14 1 100 TRP 3.85 -0.46 1 102 GLN 4.58 -0.18 1 104 LEU 3.75 -0.18 1 105 GLU 3.46 -0.18 1 106 GLU 3.31 -0.25 1 108 ARG 4.28 -0.13 1 109 LYS 4.04 -0.26 1 113 SER -0.31 -0.02 1 116 TRP 1.05 -0.04 1 118 VAL 0.54 -0.02 1 120 THR 0.84 -0.07 1 121 LEU 0.61 0.02 1 122 SER 0.19 -0.05 1 128 LYS 1.04 -0.17 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26012_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -0.88 _LACS_plot.Line_1_terminator_val_y_1 -0.71 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.19 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.41 _LACS_plot.Line_2_terminator_val_x_2 6.86 _LACS_plot.Line_2_terminator_val_y_2 4.35 _LACS_plot.Y_axis_chem_shift_offset 0.12 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 128 LYS 1.04 -9.42 0 10 ASP 0.70 -0.58 1 11 HIS -0.25 0.66 1 12 ILE -0.35 -0.80 1 13 GLU -0.88 -0.56 1 14 VAL -0.55 -0.44 1 15 SER -0.75 -0.35 1 16 ASP 0.11 -0.34 1 17 ASP 0.05 0.06 1 18 GLU -0.24 -0.27 1 19 ASP -0.02 0.13 1 20 GLU -0.07 -0.03 1 21 THR 0.57 -0.56 1 22 HIS -0.21 0.68 1 24 ASN 0.36 -0.14 1 25 ILE -0.40 -0.88 1 26 ASP -0.17 0.56 1 27 THR 2.90 0.83 1 28 ALA 2.51 1.61 1 29 SER 2.48 0.89 1 30 LEU 2.29 0.39 1 31 PHE 2.54 1.30 1 35 HIS 1.89 2.43 1 36 GLN 2.78 0.99 1 37 ALA 2.22 1.55 1 38 ARG 1.05 1.48 1 39 VAL 4.24 1.58 1 42 MET 3.69 2.03 1 43 GLU 3.33 2.70 1 44 GLN 4.37 2.22 1 48 GLU 3.40 2.74 1 49 LYS 5.22 1.64 1 50 GLU 3.51 2.75 1 51 GLU 3.47 3.14 1 52 LEU 2.59 0.95 1 53 ASP 3.03 2.32 1 54 ARG 4.67 2.84 1 57 ARG 4.84 3.08 1 58 GLU 2.73 1.55 1 60 LYS 5.29 3.12 1 61 ARG 1.70 2.77 1 62 LYS 6.86 3.84 1 63 VAL 5.53 1.60 1 64 ALA 3.95 3.21 1 65 GLU 2.70 1.48 1 67 GLN 4.36 2.65 1 68 ARG 4.67 2.55 1 69 LYS 3.70 2.78 1 70 LEU 3.62 1.18 1 71 LYS 3.66 2.69 1 72 GLU 2.19 2.25 1 73 LEU 1.62 1.14 1 74 GLU 2.10 1.79 1 75 VAL 1.32 -0.09 1 76 ALA -0.79 -0.53 1 77 GLU 1.63 0.73 1 80 LYS 3.59 1.46 1 81 ALA 3.77 2.75 1 82 GLU 2.56 1.70 1 83 LEU 3.91 1.05 1 84 GLU 3.72 3.31 1 85 ARG 4.25 3.22 1 86 LEU 2.56 1.57 1 87 GLN 4.73 3.32 1 88 ALA 4.02 3.08 1 89 GLU 3.39 2.09 1 90 ALA 4.30 2.64 1 91 GLN 4.18 3.13 1 92 GLN 4.59 3.23 1 93 LEU 2.44 1.42 1 94 ARG 4.06 3.14 1 95 LYS 4.56 3.03 1 96 GLU 3.58 2.05 1 97 GLU 3.72 1.85 1 98 ARG 3.75 2.58 1 99 SER 4.97 3.06 1 100 TRP 3.85 2.47 1 101 GLU 3.64 3.48 1 102 GLN 4.58 2.89 1 104 LEU 3.75 1.51 1 105 GLU 3.46 2.83 1 106 GLU 3.31 2.89 1 107 MET 3.88 1.97 1 108 ARG 4.28 3.17 1 109 LYS 4.04 2.89 1 110 LYS 3.36 2.55 1 111 GLU 2.77 1.71 1 112 LYS 2.36 0.21 1 113 SER -0.31 -0.59 1 114 MET 1.63 0.72 1 116 TRP 1.05 -0.52 1 117 ASN -0.43 -0.13 1 118 VAL 0.54 -0.53 1 119 ASP 0.36 0.45 1 120 THR 0.84 0.10 1 121 LEU 0.61 -0.09 1 122 SER 0.19 0.30 1 123 LYS 0.77 -0.14 1 124 ASP 0.23 0.30 1 126 PHE -0.06 -0.09 1 127 SER -0.14 -1.32 1 stop_ save_