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 bmr10026_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.64 _LACS_plot.Line_1_terminator_val_y_1 -2.54 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.75 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.56 _LACS_plot.Line_2_terminator_val_x_2 6.34 _LACS_plot.Line_2_terminator_val_y_2 4.92 _LACS_plot.Y_axis_chem_shift_offset -0.03 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 119 LYS 5.34 0.77 0 10 HIS 0.22 0.28 1 11 LYS 0.48 0.49 1 12 GLU -0.37 -0.26 1 13 GLU -0.63 -0.19 1 14 HIS 0.03 0.07 1 15 ALA 0.02 0.22 1 16 HIS 0.02 0.04 1 17 ALA 0.16 0.28 1 18 HIS 0.17 0.21 1 19 ASN 0.27 0.24 1 20 LYS 0.60 0.28 1 21 ASP 0.82 0.36 1 22 TYR -0.17 -0.16 1 23 ASP 0.00 -0.32 1 24 ILE 0.16 0.13 1 26 THR 0.05 0.11 1 27 THR -0.23 -0.15 1 28 GLU -0.69 0.15 1 29 ASN -4.06 -0.50 1 30 LEU -5.69 -1.29 1 31 TYR -1.92 -0.27 1 32 PHE -6.61 -1.65 1 33 GLN -3.18 -0.35 1 35 SER -1.17 -0.42 1 36 SER -0.26 0.03 1 38 SER -1.26 -0.45 1 39 SER 3.71 2.81 1 41 ASP 2.55 1.96 1 42 MET 3.02 2.38 1 43 MET 4.50 1.67 1 44 ARG 4.78 3.94 1 45 GLU 3.65 2.41 1 46 ILE 6.35 5.39 1 47 ARG 5.82 5.22 1 48 LYS 4.32 3.61 1 49 VAL 4.97 4.22 1 50 LEU 4.55 3.67 1 52 ALA 2.14 1.66 1 53 ASN -0.98 0.85 1 54 ASN 3.59 1.92 1 56 ASP -1.80 -0.75 1 57 TYR -5.36 -2.20 1 58 GLU -5.79 -2.30 1 59 GLN 1.70 0.50 1 60 ARG -0.39 0.82 1 61 GLU -5.71 -2.22 1 62 ARG 4.94 4.21 1 63 PHE -1.99 -1.96 1 64 LEU -5.13 -0.27 1 65 LEU -5.47 -1.92 1 66 PHE -1.87 -0.17 1 68 VAL -4.75 -1.72 1 69 HIS -1.81 1.79 1 71 ASP -2.24 -1.13 1 73 HIS 0.98 0.14 1 74 ALA 3.00 2.54 1 75 GLU 2.41 1.11 1 76 ASN -0.35 -0.59 1 77 LEU 1.28 1.17 1 78 VAL -4.29 -1.49 1 79 GLN -4.91 -1.85 1 80 TRP -3.92 -0.15 1 81 GLU -6.33 -3.21 1 82 MET -5.11 -1.03 1 83 GLU -7.64 -3.01 1 84 VAL 0.16 0.14 1 86 LYS -0.69 -0.57 1 87 LEU 0.90 0.11 1 89 ARG 2.90 1.78 1 90 LEU -1.90 -0.30 1 91 SER 1.67 0.35 1 92 LEU -4.10 -1.47 1 93 ASN -1.83 0.22 1 95 VAL -3.90 -1.21 1 96 ARG -4.78 -1.66 1 97 PHE -4.42 -1.51 1 98 LYS -4.32 -1.19 1 99 ARG 3.61 2.80 1 100 ILE 0.41 0.04 1 101 SER -1.56 -0.03 1 103 THR -0.39 0.05 1 105 ILE 3.09 2.54 1 106 ALA 3.42 2.82 1 107 PHE 2.62 2.11 1 108 LYS 5.06 3.86 1 109 ASN 3.96 2.94 1 110 ILE 0.61 -0.59 1 111 ALA 3.99 2.04 1 112 SER 4.57 3.48 1 113 LYS 3.50 3.35 1 114 ILE 4.37 2.65 1 115 ALA 4.51 3.10 1 116 ASN 3.55 3.27 1 117 GLU 3.30 2.42 1 118 LEU -1.52 -0.33 1 120 LEU -2.32 -1.51 1 121 SER -2.21 -0.95 1 124 SER -0.64 -0.14 1 125 SER -0.37 -0.03 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr10026_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.64 _LACS_plot.Line_1_terminator_val_y_1 5.10 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.25 _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 6.34 _LACS_plot.Line_2_terminator_val_y_2 -1.42 _LACS_plot.Y_axis_chem_shift_offset -0.03 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 119 LYS 5.34 -4.57 0 10 HIS 0.22 0.06 1 11 LYS 0.48 0.01 1 12 GLU -0.37 0.11 1 13 GLU -0.63 0.44 1 14 HIS 0.03 0.04 1 15 ALA 0.02 0.20 1 16 HIS 0.02 0.02 1 17 ALA 0.16 0.12 1 18 HIS 0.17 0.04 1 19 ASN 0.27 -0.03 1 20 LYS 0.60 -0.32 1 21 ASP 0.82 -0.46 1 22 TYR -0.17 0.01 1 23 ASP 0.00 -0.32 1 24 ILE 0.16 -0.03 1 26 THR 0.05 0.06 1 27 THR -0.23 0.08 1 28 GLU -0.69 0.84 1 29 ASN -4.06 3.56 1 30 LEU -5.69 4.40 1 31 TYR -1.92 1.65 1 32 PHE -6.61 4.96 1 33 GLN -3.18 2.83 1 35 SER -1.17 0.75 1 36 SER -0.26 0.29 1 38 SER -1.26 0.81 1 39 SER 3.71 -0.90 1 41 ASP 2.55 -0.59 1 42 MET 3.02 -0.64 1 43 MET 4.50 -2.83 1 44 ARG 4.78 -0.84 1 45 GLU 3.65 -1.24 1 46 ILE 6.35 -0.96 1 47 ARG 5.82 -0.60 1 48 LYS 4.32 -0.71 1 49 VAL 4.97 -0.75 1 50 LEU 4.55 -0.88 1 52 ALA 2.14 -0.48 1 53 ASN -0.98 1.83 1 54 ASN 3.59 -1.67 1 56 ASP -1.80 1.05 1 57 TYR -5.36 3.16 1 58 GLU -5.79 3.49 1 59 GLN 1.70 -1.20 1 60 ARG -0.39 1.21 1 61 GLU -5.71 3.49 1 62 ARG 4.94 -0.73 1 63 PHE -1.99 0.03 1 64 LEU -5.13 4.86 1 65 LEU -5.47 3.55 1 66 PHE -1.87 1.70 1 68 VAL -4.75 3.03 1 69 HIS -1.81 3.60 1 71 ASP -2.24 1.11 1 73 HIS 0.98 -0.84 1 74 ALA 3.00 -0.46 1 75 GLU 2.41 -1.30 1 76 ASN -0.35 -0.24 1 77 LEU 1.28 -0.11 1 78 VAL -4.29 2.80 1 79 GLN -4.91 3.06 1 80 TRP -3.92 3.77 1 81 GLU -6.33 3.12 1 82 MET -5.11 4.08 1 83 GLU -7.64 4.63 1 84 VAL 0.16 -0.02 1 86 LYS -0.69 0.12 1 87 LEU 0.90 -0.79 1 89 ARG 2.90 -1.12 1 90 LEU -1.90 1.60 1 91 SER 1.67 -1.32 1 92 LEU -4.10 2.63 1 93 ASN -1.83 2.05 1 95 VAL -3.90 2.69 1 96 ARG -4.78 3.12 1 97 PHE -4.42 2.91 1 98 LYS -4.32 3.13 1 99 ARG 3.61 -0.81 1 100 ILE 0.41 -0.37 1 101 SER -1.56 1.53 1 103 THR -0.39 0.44 1 105 ILE 3.09 -0.55 1 106 ALA 3.42 -0.60 1 107 PHE 2.62 -0.51 1 108 LYS 5.06 -1.20 1 109 ASN 3.96 -1.02 1 110 ILE 0.61 -1.20 1 111 ALA 3.99 -1.95 1 112 SER 4.57 -1.09 1 113 LYS 3.50 -0.15 1 114 ILE 4.37 -1.72 1 115 ALA 4.51 -1.41 1 116 ASN 3.55 -0.28 1 117 GLU 3.30 -0.88 1 118 LEU -1.52 1.19 1 120 LEU -2.32 0.81 1 121 SER -2.21 1.26 1 124 SER -0.64 0.50 1 125 SER -0.37 0.34 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr10026_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.64 _LACS_plot.Line_1_terminator_val_y_1 1.19 _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 0.40 _LACS_plot.Line_2_terminator_val_x_2 6.34 _LACS_plot.Line_2_terminator_val_y_2 -0.78 _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 61 GLU -5.71 0.18 0 111 ALA 3.99 -1.32 0 10 HIS 0.22 -0.02 1 11 LYS 0.48 -0.06 1 12 GLU -0.37 -0.07 1 13 GLU -0.63 -0.09 1 14 HIS 0.03 -0.03 1 15 ALA 0.02 -0.06 1 16 HIS 0.02 -0.05 1 17 ALA 0.16 -0.06 1 18 HIS 0.17 -0.03 1 19 ASN 0.27 -0.08 1 20 LYS 0.60 -0.05 1 21 ASP 0.82 -0.10 1 22 TYR -0.17 -0.02 1 23 ASP 0.00 -0.01 1 24 ILE 0.16 -0.02 1 26 THR 0.05 0.07 1 27 THR -0.23 0.07 1 28 GLU -0.69 0.06 1 29 ASN -4.06 0.91 1 30 LEU -5.69 0.44 1 31 TYR -1.92 0.82 1 32 PHE -6.61 0.54 1 33 GLN -3.18 0.70 1 35 SER -1.17 0.29 1 36 SER -0.26 0.12 1 38 SER -1.26 0.11 1 39 SER 3.71 -0.31 1 41 ASP 2.55 -0.09 1 42 MET 3.02 -0.13 1 43 MET 4.50 -0.09 1 44 ARG 4.78 -0.40 1 45 GLU 3.65 -0.27 1 46 ILE 6.35 -0.75 1 47 ARG 5.82 -1.01 1 48 LYS 4.32 -0.23 1 49 VAL 4.97 -0.30 1 50 LEU 4.55 -0.25 1 52 ALA 2.14 0.04 1 53 ASN -0.98 0.10 1 54 ASN 3.59 -0.11 1 56 ASP -1.80 0.24 1 57 TYR -5.36 1.25 1 58 GLU -5.79 0.26 1 59 GLN 1.70 0.36 1 60 ARG -0.39 0.08 1 62 ARG 4.94 -0.67 1 63 PHE -1.99 0.69 1 64 LEU -5.13 1.09 1 65 LEU -5.47 0.89 1 66 PHE -1.87 0.25 1 68 VAL -4.75 1.01 1 69 HIS -1.81 0.43 1 71 ASP -2.24 0.08 1 73 HIS 0.98 0.09 1 74 ALA 3.00 -0.15 1 75 GLU 2.41 -0.01 1 76 ASN -0.35 0.13 1 77 LEU 1.28 0.54 1 78 VAL -4.29 0.84 1 79 GLN -4.91 1.47 1 80 TRP -3.92 0.77 1 81 GLU -6.33 1.10 1 82 MET -5.11 1.13 1 83 GLU -7.64 1.32 1 84 VAL 0.16 0.65 1 86 LYS -0.69 0.34 1 87 LEU 0.90 -0.19 1 89 ARG 2.90 -0.20 1 90 LEU -1.90 0.11 1 91 SER 1.67 -0.21 1 92 LEU -4.10 0.27 1 93 ASN -1.83 0.38 1 95 VAL -3.90 0.88 1 96 ARG -4.78 0.98 1 97 PHE -4.42 1.16 1 98 LYS -4.32 0.89 1 99 ARG 3.61 -0.86 1 100 ILE 0.41 0.18 1 101 SER -1.56 0.26 1 103 THR -0.39 0.01 1 105 ILE 3.09 -0.23 1 106 ALA 3.42 -0.20 1 107 PHE 2.62 -0.48 1 108 LYS 5.06 -1.19 1 109 ASN 3.96 -0.45 1 110 ILE 0.61 -0.12 1 112 SER 4.57 -0.82 1 113 LYS 3.50 -0.37 1 114 ILE 4.37 -0.78 1 115 ALA 4.51 -0.82 1 116 ASN 3.55 -0.25 1 117 GLU 3.30 -0.28 1 118 LEU -1.52 -0.10 1 119 LYS 5.34 -0.34 1 120 LEU -2.32 0.36 1 121 SER -2.21 0.55 1 124 SER -0.64 0.07 1 125 SER -0.37 0.13 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr10026_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.64 _LACS_plot.Line_1_terminator_val_y_1 -2.70 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.57 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.91 _LACS_plot.Line_2_terminator_val_x_2 6.34 _LACS_plot.Line_2_terminator_val_y_2 2.15 _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 80 TRP -3.92 -4.53 0 116 ASN 3.55 4.65 0 10 HIS 0.22 0.19 1 11 LYS 0.48 -0.37 1 12 GLU -0.37 -0.39 1 13 GLU -0.63 -0.35 1 14 HIS 0.03 0.06 1 15 ALA 0.02 -0.21 1 16 HIS 0.02 0.06 1 17 ALA 0.16 -0.26 1 18 HIS 0.17 0.06 1 19 ASN 0.27 0.08 1 20 LYS 0.60 -0.42 1 21 ASP 0.82 -0.46 1 22 TYR -0.17 -0.62 1 23 ASP 0.00 -0.99 1 24 ILE 0.16 -0.37 1 26 THR 0.05 0.22 1 27 THR -0.23 -0.68 1 28 GLU -0.69 -1.78 1 29 ASN -4.06 -0.70 1 30 LEU -5.69 -2.46 1 31 TYR -1.92 -1.52 1 32 PHE -6.61 -1.32 1 33 GLN -3.18 -0.77 1 35 SER -1.17 -0.10 1 36 SER -0.26 0.07 1 38 SER -1.26 1.24 1 39 SER 3.71 1.64 1 41 ASP 2.55 1.58 1 42 MET 3.02 2.04 1 43 MET 4.50 1.95 1 44 ARG 4.78 3.11 1 45 GLU 3.65 2.30 1 46 ILE 6.35 1.04 1 47 ARG 5.82 2.99 1 48 LYS 4.32 2.84 1 49 VAL 4.97 3.26 1 50 LEU 4.55 2.88 1 52 ALA 2.14 0.52 1 53 ASN -0.98 -1.86 1 54 ASN 3.59 -0.26 1 56 ASP -1.80 -1.50 1 57 TYR -5.36 -2.00 1 58 GLU -5.79 -1.27 1 59 GLN 1.70 -0.72 1 60 ARG -0.39 -0.39 1 61 GLU -5.71 -0.37 1 62 ARG 4.94 0.03 1 63 PHE -1.99 -2.07 1 64 LEU -5.13 -2.46 1 65 LEU -5.47 -2.56 1 66 PHE -1.87 -0.98 1 68 VAL -4.75 -1.80 1 69 HIS -1.81 -1.78 1 71 ASP -2.24 0.65 1 73 HIS 0.98 1.64 1 74 ALA 3.00 0.71 1 75 GLU 2.41 0.50 1 76 ASN -0.35 -1.12 1 77 LEU 1.28 0.06 1 78 VAL -4.29 -2.48 1 79 GLN -4.91 0.26 1 81 GLU -6.33 0.33 1 82 MET -5.11 -2.91 1 83 GLU -7.64 -0.86 1 84 VAL 0.16 -1.38 1 86 LYS -0.69 -0.21 1 87 LEU 0.90 -0.01 1 89 ARG 2.90 0.10 1 90 LEU -1.90 -0.76 1 91 SER 1.67 -0.80 1 92 LEU -4.10 -1.66 1 93 ASN -1.83 -0.23 1 95 VAL -3.90 -2.38 1 96 ARG -4.78 -0.79 1 97 PHE -4.42 -0.61 1 98 LYS -4.32 -1.29 1 99 ARG 3.61 -1.55 1 100 ILE 0.41 -0.53 1 101 SER -1.56 -1.82 1 103 THR -0.39 0.90 1 105 ILE 3.09 0.44 1 106 ALA 3.42 3.87 1 107 PHE 2.62 -1.17 1 108 LYS 5.06 2.79 1 109 ASN 3.96 2.56 1 110 ILE 0.61 -0.85 1 111 ALA 3.99 0.49 1 112 SER 4.57 1.41 1 113 LYS 3.50 1.84 1 114 ILE 4.37 1.16 1 115 ALA 4.51 1.68 1 117 GLU 3.30 1.57 1 118 LEU -1.52 -2.88 1 119 LYS 5.34 -0.20 1 120 LEU -2.32 -0.28 1 121 SER -2.21 -0.75 1 124 SER -0.64 -0.14 1 125 SER -0.37 -0.63 1 stop_ save_