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 bmr17683_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.87 _LACS_plot.Line_1_terminator_val_y_1 -2.65 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.86 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.38 _LACS_plot.Line_2_terminator_val_x_2 6.25 _LACS_plot.Line_2_terminator_val_y_2 4.56 _LACS_plot.Y_axis_chem_shift_offset -0.06 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 102 GLN -3.44 2.08 0 10 HIS 0.38 1.32 1 11 MET 0.14 -0.06 1 12 ALA -0.50 -0.35 1 15 SER -0.33 -0.28 1 16 ASN 0.31 0.08 1 17 VAL -0.29 0.39 1 19 ALA 3.37 2.47 1 20 PHE 3.36 4.44 1 21 LEU 1.60 1.62 1 22 THR 6.23 4.46 1 23 LYS 3.70 3.30 1 24 LEU 3.93 2.95 1 25 TRP 5.46 5.75 1 26 THR 6.25 5.12 1 27 LEU 3.86 2.74 1 28 VAL 6.20 4.41 1 29 SER 2.92 2.57 1 30 ASP -0.33 -0.18 1 32 ASP 2.76 1.83 1 33 THR -1.67 -1.38 1 34 ASP 3.62 2.89 1 35 ALA 2.71 1.69 1 36 LEU -3.25 0.53 1 37 ILE -1.19 -1.98 1 39 TRP -1.64 0.08 1 40 SER 2.37 1.17 1 42 SER 1.20 0.91 1 44 ASN -0.47 -0.77 1 45 SER -1.67 -1.24 1 46 PHE -5.90 -2.04 1 47 HIS -4.40 -0.88 1 48 VAL -1.89 -1.27 1 49 PHE -3.25 -1.79 1 50 ASP 0.53 -0.37 1 51 GLN 4.95 4.22 1 53 GLN 3.35 2.31 1 54 PHE 4.35 4.27 1 55 ALA 2.51 1.90 1 56 LYS 0.74 1.70 1 57 GLU -1.44 0.67 1 58 VAL 3.81 2.51 1 59 LEU 2.61 2.13 1 61 LYS 0.48 2.07 1 62 TYR -3.89 -2.56 1 63 PHE 5.07 1.04 1 64 LYS -2.93 0.62 1 65 HIS -1.96 -1.33 1 66 ASN -1.57 -0.36 1 67 ASN 2.98 2.08 1 68 MET 4.52 2.70 1 69 ALA 3.99 2.57 1 70 SER 2.79 2.99 1 71 PHE 5.80 4.33 1 72 VAL 5.04 3.71 1 73 ARG 4.78 3.15 1 74 GLN 5.30 2.78 1 75 LEU 3.74 3.38 1 76 ASN 3.63 2.70 1 77 MET 1.24 1.29 1 78 TYR 0.80 1.10 1 80 PHE -4.04 -1.79 1 81 ARG -1.43 -1.07 1 82 LYS -0.10 -0.22 1 83 VAL 0.12 -0.30 1 84 VAL -0.89 0.08 1 85 HIS -0.37 -0.12 1 86 ILE -0.75 -0.62 1 87 GLU 0.65 0.48 1 88 GLN 0.06 0.10 1 91 LEU 0.04 -0.02 1 92 VAL -0.18 -0.32 1 93 LYS 0.48 0.60 1 95 GLU -0.86 -0.65 1 96 ARG -0.22 0.10 1 97 ASP -2.36 -0.61 1 98 ASP -0.12 -0.08 1 99 THR -6.87 -3.80 1 100 GLU -6.36 -1.82 1 101 PHE -4.44 -1.10 1 103 HIS -3.88 -1.01 1 106 PHE -6.30 -1.69 1 107 LEU 2.42 1.41 1 108 ARG -1.74 -2.68 1 110 GLN 3.87 2.32 1 111 GLU 5.15 2.22 1 112 GLN 1.02 0.71 1 113 LEU 2.27 2.19 1 114 LEU 1.88 1.28 1 115 GLU -0.79 0.17 1 116 ASN 5.13 2.51 1 117 ILE -3.68 -2.30 1 118 LYS 0.14 0.04 1 119 ARG 0.24 0.18 1 120 LYS 0.09 -0.09 1 121 VAL -0.30 -0.18 1 122 THR -0.36 -0.32 1 123 SER 0.27 0.04 1 124 VAL 0.60 1.68 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17683_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.87 _LACS_plot.Line_1_terminator_val_y_1 4.22 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.14 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.62 _LACS_plot.Line_2_terminator_val_x_2 6.25 _LACS_plot.Line_2_terminator_val_y_2 -1.69 _LACS_plot.Y_axis_chem_shift_offset -0.06 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 102 GLN -3.44 5.52 0 10 HIS 0.38 0.94 1 11 MET 0.14 -0.20 1 12 ALA -0.50 0.15 1 15 SER -0.33 0.05 1 16 ASN 0.31 -0.23 1 17 VAL -0.29 0.68 1 19 ALA 3.37 -0.90 1 20 PHE 3.36 1.08 1 21 LEU 1.60 0.02 1 22 THR 6.23 -1.77 1 23 LYS 3.70 -0.40 1 24 LEU 3.93 -0.98 1 25 TRP 5.46 0.29 1 26 THR 6.25 -1.13 1 27 LEU 3.86 -1.12 1 28 VAL 6.20 -1.79 1 29 SER 2.92 -0.35 1 30 ASP -0.33 0.15 1 32 ASP 2.76 -0.93 1 33 THR -1.67 0.29 1 34 ASP 3.62 -0.73 1 35 ALA 2.71 -1.02 1 36 LEU -3.25 3.78 1 37 ILE -1.19 -0.79 1 39 TRP -1.64 1.72 1 40 SER 2.37 -1.20 1 42 SER 1.20 -0.29 1 44 ASN -0.47 -0.30 1 45 SER -1.67 0.43 1 46 PHE -5.90 3.86 1 47 HIS -4.40 3.52 1 48 VAL -1.89 0.62 1 49 PHE -3.25 1.46 1 50 ASP 0.53 -0.90 1 51 GLN 4.95 -0.73 1 53 GLN 3.35 -1.04 1 54 PHE 4.35 -0.08 1 55 ALA 2.51 -0.61 1 56 LYS 0.74 0.96 1 57 GLU -1.44 2.11 1 58 VAL 3.81 -1.30 1 59 LEU 2.61 -0.48 1 61 LYS 0.48 1.59 1 62 TYR -3.89 1.33 1 63 PHE 5.07 -4.03 1 64 LYS -2.93 3.55 1 65 HIS -1.96 0.63 1 66 ASN -1.57 1.21 1 67 ASN 2.98 -0.90 1 68 MET 4.52 -1.82 1 69 ALA 3.99 -1.42 1 70 SER 2.79 0.20 1 71 PHE 5.80 -1.47 1 72 VAL 5.04 -1.33 1 73 ARG 4.78 -1.63 1 74 GLN 5.30 -2.52 1 75 LEU 3.74 -0.36 1 76 ASN 3.63 -0.93 1 77 MET 1.24 0.05 1 78 TYR 0.80 0.30 1 80 PHE -4.04 2.25 1 81 ARG -1.43 0.36 1 82 LYS -0.10 -0.12 1 83 VAL 0.12 -0.42 1 84 VAL -0.89 0.97 1 85 HIS -0.37 0.25 1 86 ILE -0.75 0.13 1 87 GLU 0.65 -0.17 1 88 GLN 0.06 0.04 1 91 LEU 0.04 -0.06 1 92 VAL -0.18 -0.14 1 93 LYS 0.48 0.12 1 95 GLU -0.86 0.21 1 96 ARG -0.22 0.32 1 97 ASP -2.36 1.75 1 98 ASP -0.12 0.04 1 99 THR -6.87 3.07 1 100 GLU -6.36 4.54 1 101 PHE -4.44 3.34 1 103 HIS -3.88 2.87 1 106 PHE -6.30 4.61 1 107 LEU 2.42 -1.01 1 108 ARG -1.74 -0.94 1 110 GLN 3.87 -1.55 1 111 GLU 5.15 -2.93 1 112 GLN 1.02 -0.31 1 113 LEU 2.27 -0.08 1 114 LEU 1.88 -0.60 1 115 GLU -0.79 0.96 1 116 ASN 5.13 -2.62 1 117 ILE -3.68 1.38 1 118 LYS 0.14 -0.10 1 119 ARG 0.24 -0.06 1 120 LYS 0.09 -0.18 1 121 VAL -0.30 0.12 1 122 THR -0.36 0.04 1 123 SER 0.27 -0.23 1 124 VAL 0.60 1.08 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17683_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.87 _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 -0.18 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.24 _LACS_plot.Line_2_terminator_val_x_2 6.25 _LACS_plot.Line_2_terminator_val_y_2 -0.63 _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 37 ILE -1.19 1.53 0 107 LEU 2.42 -1.70 0 110 GLN 3.87 -1.86 0 10 HIS 0.38 -0.08 1 11 MET 0.14 -0.06 1 12 ALA -0.50 0.03 1 15 SER -0.33 -0.03 1 16 ASN 0.31 0.01 1 17 VAL -0.29 -0.12 1 19 ALA 3.37 -0.09 1 20 PHE 3.36 -0.34 1 21 LEU 1.60 -0.49 1 22 THR 6.23 -0.46 1 23 LYS 3.70 -0.30 1 24 LEU 3.93 -0.48 1 25 TRP 5.46 -0.85 1 26 THR 6.25 -0.55 1 27 LEU 3.86 -0.48 1 28 VAL 6.20 -1.36 1 29 SER 2.92 -0.41 1 30 ASP -0.33 -0.35 1 32 ASP 2.76 -0.09 1 33 THR -1.67 0.35 1 34 ASP 3.62 0.11 1 35 ALA 2.71 -0.19 1 36 LEU -3.25 0.73 1 39 TRP -1.64 0.39 1 40 SER 2.37 0.05 1 42 SER 1.20 -0.08 1 44 ASN -0.47 0.55 1 45 SER -1.67 1.17 1 46 PHE -5.90 1.23 1 47 HIS -4.40 0.32 1 48 VAL -1.89 0.44 1 49 PHE -3.25 0.79 1 50 ASP 0.53 -0.12 1 51 GLN 4.95 -0.34 1 53 GLN 3.35 -0.10 1 54 PHE 4.35 -0.55 1 55 ALA 2.51 -0.56 1 56 LYS 0.74 -0.10 1 57 GLU -1.44 0.11 1 58 VAL 3.81 -0.08 1 59 LEU 2.61 -0.46 1 61 LYS 0.48 -0.47 1 62 TYR -3.89 0.33 1 63 PHE 5.07 -0.15 1 64 LYS -2.93 -0.03 1 65 HIS -1.96 0.27 1 66 ASN -1.57 0.14 1 67 ASN 2.98 -0.09 1 68 MET 4.52 -0.16 1 69 ALA 3.99 -0.37 1 70 SER 2.79 -0.37 1 71 PHE 5.80 -1.01 1 72 VAL 5.04 -0.33 1 73 ARG 4.78 -0.61 1 74 GLN 5.30 -0.67 1 75 LEU 3.74 -0.19 1 76 ASN 3.63 -0.35 1 77 MET 1.24 0.21 1 78 TYR 0.80 0.00 1 80 PHE -4.04 0.45 1 81 ARG -1.43 0.21 1 82 LYS -0.10 -0.32 1 83 VAL 0.12 -0.16 1 84 VAL -0.89 0.07 1 85 HIS -0.37 0.06 1 86 ILE -0.75 0.00 1 87 GLU 0.65 -0.01 1 88 GLN 0.06 0.02 1 91 LEU 0.04 -0.05 1 92 VAL -0.18 0.01 1 93 LYS 0.48 -0.10 1 95 GLU -0.86 0.14 1 96 ARG -0.22 -0.04 1 97 ASP -2.36 0.45 1 98 ASP -0.12 -0.11 1 99 THR -6.87 0.43 1 100 GLU -6.36 0.77 1 101 PHE -4.44 1.10 1 102 GLN -3.44 -0.44 1 103 HIS -3.88 0.32 1 106 PHE -6.30 0.65 1 108 ARG -1.74 0.74 1 111 GLU 5.15 -0.38 1 112 GLN 1.02 -0.18 1 113 LEU 2.27 -0.38 1 114 LEU 1.88 -0.35 1 115 GLU -0.79 0.00 1 116 ASN 5.13 -0.31 1 117 ILE -3.68 0.46 1 118 LYS 0.14 -0.13 1 119 ARG 0.24 0.01 1 120 LYS 0.09 0.06 1 121 VAL -0.30 0.05 1 122 THR -0.36 0.04 1 123 SER 0.27 0.10 1 124 VAL 0.60 -0.21 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17683_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.87 _LACS_plot.Line_1_terminator_val_y_1 -2.51 _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 -1.06 _LACS_plot.Line_2_terminator_val_x_2 6.25 _LACS_plot.Line_2_terminator_val_y_2 1.94 _LACS_plot.Y_axis_chem_shift_offset 0.31 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 117 ILE 5.13 -2.08 0 99 THR -0.12 -4.37 0 10 HIS 0.38 0.73 1 11 MET 0.14 -0.96 1 12 ALA -0.50 -0.41 1 15 SER -0.33 -0.34 1 16 ASN 0.31 -0.76 1 19 ALA 3.37 0.91 1 20 PHE 3.36 0.33 1 21 LEU 1.60 0.93 1 22 THR 6.23 3.02 1 23 LYS 3.70 1.78 1 24 LEU 3.93 -0.63 1 25 TRP 5.46 0.00 1 26 THR 6.25 0.68 1 27 LEU 3.86 1.32 1 28 VAL 6.20 2.95 1 29 SER 2.92 -2.17 1 32 ASP 2.76 1.99 1 33 THR -1.67 1.04 1 34 ASP 3.62 -0.59 1 35 ALA 2.71 -0.20 1 36 LEU -3.25 -2.50 1 37 ILE -1.19 -3.04 1 39 TRP -1.64 2.49 1 42 SER 1.20 1.17 1 44 ASN -0.47 0.21 1 45 SER -1.67 -2.65 1 46 PHE -5.90 -4.24 1 47 HIS -4.40 -0.59 1 48 VAL -1.89 -0.74 1 49 PHE -3.25 -1.60 1 50 ASP 0.53 -0.05 1 51 GLN 4.95 1.93 1 53 GLN 3.35 2.32 1 54 PHE 4.35 1.80 1 55 ALA 2.51 -1.58 1 56 LYS 0.74 1.21 1 57 GLU -1.44 0.61 1 58 VAL 3.81 0.37 1 61 LYS 2.61 0.46 1 62 TYR 0.48 -0.51 1 63 PHE -3.89 -1.36 1 64 LYS 5.07 -1.74 1 65 HIS -2.93 -1.79 1 67 ASN -1.57 -0.64 1 68 MET 2.98 0.91 1 69 ALA 4.52 3.23 1 70 SER 3.99 1.50 1 71 PHE 2.79 0.12 1 72 VAL 5.80 1.33 1 73 ARG 5.04 2.68 1 74 GLN 4.78 1.60 1 75 LEU 5.30 2.52 1 76 ASN 3.74 4.08 1 77 MET 3.63 0.34 1 78 TYR 1.24 -1.49 1 80 PHE 0.80 0.06 1 81 ARG -4.04 -1.32 1 82 LYS -1.43 -0.50 1 83 VAL -0.10 -1.59 1 84 VAL 0.12 -0.80 1 85 HIS -0.89 0.37 1 86 ILE -0.37 -0.58 1 87 GLU -0.75 -0.41 1 88 GLN 0.65 0.39 1 91 LEU 0.06 -0.45 1 92 VAL 0.04 -0.61 1 95 GLU 0.48 -0.26 1 96 ARG -0.86 -1.17 1 97 ASP -0.22 -1.92 1 98 ASP -2.36 -0.77 1 100 GLU -6.87 -3.30 1 101 PHE -6.36 -1.00 1 102 GLN -4.44 -1.95 1 106 PHE -3.88 -4.15 1 107 LEU -6.30 -0.63 1 110 GLN -1.74 0.76 1 111 GLU 3.87 1.24 1 112 GLN 5.15 1.45 1 113 LEU 1.02 0.51 1 114 LEU 2.27 1.41 1 115 GLU 1.88 -0.89 1 116 ASN -0.79 -0.04 1 118 LYS -3.68 -0.77 1 119 ARG 0.14 -0.02 1 120 LYS 0.24 -0.59 1 121 VAL 0.09 -0.20 1 122 THR -0.30 -0.65 1 123 SER -0.36 -0.55 1 124 VAL 0.27 -1.17 1 stop_ save_