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 bmr15531_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -5.32 _LACS_plot.Line_1_terminator_val_y_1 -2.36 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.05 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.36 _LACS_plot.Line_2_terminator_val_x_2 7.17 _LACS_plot.Line_2_terminator_val_y_2 5.61 _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 43 ILE 0.62 -2.29 0 11 GLN -2.01 2.21 0 10 THR -0.20 -0.15 1 13 TRP -1.55 -2.23 1 14 GLU 3.14 2.73 1 15 HIS 2.69 3.72 1 16 VAL 5.25 3.55 1 17 ASN 3.36 2.69 1 18 ALA 4.07 3.29 1 19 ILE 5.22 4.65 1 20 GLN 5.32 3.61 1 21 GLU 2.57 2.12 1 22 ALA 3.49 2.71 1 23 ARG 4.17 3.89 1 24 ARG 3.59 3.31 1 25 LEU 2.53 2.51 1 26 LEU 3.70 3.04 1 27 ASN 2.77 2.69 1 28 LEU 0.18 0.69 1 29 SER 1.40 1.01 1 30 ARG -0.22 -0.21 1 31 ASP -0.51 0.13 1 32 THR 1.85 2.19 1 33 ALA 1.73 1.62 1 34 ALA 2.93 2.74 1 35 GLU 0.82 0.95 1 36 MET 7.17 6.70 1 37 ASN 0.13 0.10 1 38 GLU -0.94 -0.22 1 39 THR -3.13 -1.91 1 40 VAL -5.30 -2.31 1 41 GLU -3.28 -1.39 1 42 VAL -0.03 0.03 1 44 SER -0.35 -0.16 1 45 GLU -0.35 -0.16 1 47 PHE -5.21 -2.43 1 48 ASP -3.77 -1.96 1 49 LEU 2.53 1.87 1 50 GLN 1.81 1.27 1 51 GLU -1.00 -0.11 1 53 THR 0.10 -0.15 1 55 LEU 4.54 1.95 1 56 GLN 5.32 2.44 1 57 THR 6.25 5.12 1 58 ARG 3.59 3.31 1 59 LEU 4.86 4.26 1 60 GLU -4.45 -1.39 1 61 LEU 5.45 3.04 1 62 TYR 3.73 2.58 1 63 LYS 5.03 4.28 1 64 GLN 2.39 1.85 1 66 LEU 2.52 1.28 1 67 ARG -5.20 -2.55 1 69 SER 3.74 2.76 1 70 LEU 1.35 0.69 1 71 THR 6.24 4.53 1 72 LYS 2.66 1.94 1 73 LEU 3.11 1.87 1 74 LYS 6.75 6.03 1 77 LEU 4.28 3.62 1 78 THR 4.20 3.13 1 80 MET 1.37 -1.30 1 81 ALA 4.64 3.86 1 82 SER 3.74 2.76 1 83 HIS 3.86 5.48 1 84 TYR 5.48 4.33 1 85 LYS 3.24 2.52 1 86 GLN 1.80 1.85 1 87 HIS -0.24 2.55 1 91 THR 2.39 2.49 1 93 GLU -0.94 -0.22 1 94 THR 0.97 0.43 1 95 SER 0.24 -1.33 1 97 ALA -0.03 0.37 1 98 THR -4.88 -2.49 1 99 GLN -4.64 -1.66 1 100 ILE -0.06 -1.21 1 101 ILE -5.32 -1.79 1 102 THR -1.96 -0.74 1 103 PHE 4.73 4.53 1 104 GLU 3.74 3.29 1 105 SER 1.99 2.18 1 106 PHE 4.73 3.36 1 107 LYS 6.17 4.86 1 108 GLU 2.57 2.12 1 109 ASN 3.10 4.51 1 110 LEU 3.83 2.00 1 111 LYS 6.18 4.28 1 112 ASP 4.46 3.35 1 113 PHE 3.56 3.36 1 114 LEU 1.94 1.28 1 115 LEU 1.35 1.28 1 116 VAL -1.20 -0.55 1 117 ILE 1.07 -0.51 1 119 PHE 1.22 -0.15 1 120 ASP -2.56 -1.33 1 123 GLU 1.57 1.86 1 125 VAL 0.85 0.33 1 126 GLN -0.54 0.09 1 127 GLU 0.23 1.59 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15531_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -5.32 _LACS_plot.Line_1_terminator_val_y_1 2.96 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.95 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.64 _LACS_plot.Line_2_terminator_val_x_2 7.17 _LACS_plot.Line_2_terminator_val_y_2 -1.56 _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 43 ILE 0.62 -2.91 0 11 GLN -2.01 4.22 0 10 THR -0.20 0.05 1 13 TRP -1.55 -0.68 1 14 GLU 3.14 -0.41 1 15 HIS 2.69 1.03 1 16 VAL 5.25 -1.70 1 17 ASN 3.36 -0.67 1 18 ALA 4.07 -0.78 1 19 ILE 5.22 -0.57 1 20 GLN 5.32 -1.71 1 21 GLU 2.57 -0.45 1 22 ALA 3.49 -0.78 1 23 ARG 4.17 -0.28 1 24 ARG 3.59 -0.28 1 25 LEU 2.53 -0.02 1 26 LEU 3.70 -0.66 1 27 ASN 2.77 -0.08 1 28 LEU 0.18 0.51 1 29 SER 1.40 -0.39 1 30 ARG -0.22 0.01 1 31 ASP -0.51 0.64 1 32 THR 1.85 0.34 1 33 ALA 1.73 -0.11 1 34 ALA 2.93 -0.19 1 35 GLU 0.82 0.13 1 36 MET 7.17 -0.47 1 37 ASN 0.13 -0.03 1 38 GLU -0.94 0.72 1 39 THR -3.13 1.22 1 40 VAL -5.30 2.99 1 41 GLU -3.28 1.89 1 42 VAL -0.03 0.06 1 44 SER -0.35 0.19 1 45 GLU -0.35 0.19 1 47 PHE -5.21 2.78 1 48 ASP -3.77 1.81 1 49 LEU 2.53 -0.66 1 50 GLN 1.81 -0.54 1 51 GLU -1.00 0.89 1 53 THR 0.10 -0.25 1 55 LEU 4.54 -2.59 1 56 GLN 5.32 -2.88 1 57 THR 6.25 -1.13 1 58 ARG 3.59 -0.28 1 59 LEU 4.86 -0.60 1 60 GLU -4.45 3.06 1 61 LEU 5.45 -2.41 1 62 TYR 3.73 -1.15 1 63 LYS 5.03 -0.75 1 64 GLN 2.39 -0.54 1 66 LEU 2.52 -1.24 1 67 ARG -5.20 2.65 1 69 SER 3.74 -0.98 1 70 LEU 1.35 -0.66 1 71 THR 6.24 -1.71 1 72 LYS 2.66 -0.72 1 73 LEU 3.11 -1.24 1 74 LYS 6.75 -0.72 1 77 LEU 4.28 -0.66 1 78 THR 4.20 -1.07 1 80 MET 1.37 -2.67 1 81 ALA 4.64 -0.78 1 82 SER 3.74 -0.98 1 83 HIS 3.86 1.62 1 84 TYR 5.48 -1.15 1 85 LYS 3.24 -0.72 1 86 GLN 1.80 0.05 1 87 HIS -0.24 2.79 1 91 THR 2.39 0.10 1 93 GLU -0.94 0.72 1 94 THR 0.97 -0.54 1 95 SER 0.24 -1.57 1 97 ALA -0.03 0.40 1 98 THR -4.88 2.39 1 99 GLN -4.64 2.98 1 100 ILE -0.06 -1.15 1 101 ILE -5.32 3.53 1 102 THR -1.96 1.22 1 103 PHE 4.73 -0.20 1 104 GLU 3.74 -0.45 1 105 SER 1.99 0.19 1 106 PHE 4.73 -1.37 1 107 LYS 6.17 -1.31 1 108 GLU 2.57 -0.45 1 109 ASN 3.10 1.41 1 110 LEU 3.83 -1.83 1 111 LYS 6.18 -1.90 1 112 ASP 4.46 -1.11 1 113 PHE 3.56 -0.20 1 114 LEU 1.94 -0.66 1 115 LEU 1.35 -0.07 1 116 VAL -1.20 0.65 1 117 ILE 1.07 -1.58 1 119 PHE 1.22 -1.37 1 120 ASP -2.56 1.23 1 123 GLU 1.57 0.29 1 125 VAL 0.85 -0.52 1 126 GLN -0.54 0.63 1 127 GLU 0.23 1.36 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15531_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -5.32 _LACS_plot.Line_1_terminator_val_y_1 0.44 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.14 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.17 _LACS_plot.Line_2_terminator_val_x_2 7.17 _LACS_plot.Line_2_terminator_val_y_2 -0.54 _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 47 PHE -5.21 -0.39 0 10 THR -0.20 0.04 1 11 GLN -2.01 -0.49 1 13 TRP -1.55 0.16 1 14 GLU 3.14 -0.01 1 15 HIS 2.69 -0.49 1 16 VAL 5.25 -1.11 1 17 ASN 3.36 -0.40 1 18 ALA 4.07 -0.12 1 19 ILE 5.22 -0.59 1 20 GLN 5.32 -0.24 1 21 GLU 2.57 -0.01 1 22 ALA 3.49 -0.33 1 23 ARG 4.17 -0.53 1 24 ARG 3.59 -0.29 1 25 LEU 2.53 -0.33 1 26 LEU 3.70 -0.31 1 27 ASN 2.77 -0.18 1 28 LEU 0.18 0.02 1 29 SER 1.40 -0.04 1 30 ARG -0.22 0.19 1 31 ASP -0.51 0.31 1 32 THR 1.85 0.14 1 33 ALA 1.73 0.00 1 34 ALA 2.93 -0.02 1 35 GLU 0.82 -0.12 1 36 MET 7.17 -0.35 1 37 ASN 0.13 0.13 1 38 GLU -0.94 0.08 1 39 THR -3.13 0.68 1 40 VAL -5.30 0.45 1 41 GLU -3.28 0.78 1 42 VAL -0.03 0.15 1 43 ILE 0.62 0.15 1 44 SER -0.35 -0.01 1 45 GLU -0.35 -0.12 1 48 ASP -3.77 -0.17 1 49 LEU 2.53 -0.86 1 50 GLN 1.81 -0.19 1 51 GLU -1.00 -0.28 1 53 THR 0.10 -0.02 1 55 LEU 4.54 -0.25 1 56 GLN 5.32 -0.40 1 57 THR 6.25 0.33 1 58 ARG 3.59 -0.68 1 59 LEU 4.86 0.04 1 60 GLU -4.45 0.08 1 61 LEU 5.45 -0.19 1 62 TYR 3.73 0.30 1 63 LYS 5.03 -0.17 1 64 GLN 2.39 -0.16 1 66 LEU 2.52 -0.37 1 67 ARG -5.20 0.25 1 69 SER 3.74 -0.06 1 70 LEU 1.35 0.11 1 71 THR 6.24 0.07 1 72 LYS 2.66 0.01 1 73 LEU 3.11 -0.18 1 74 LYS 6.75 -0.64 1 77 LEU 4.28 0.12 1 78 THR 4.20 -0.21 1 80 MET 1.37 -0.32 1 81 ALA 4.64 -0.18 1 82 SER 3.74 -0.18 1 83 HIS 3.86 -0.52 1 84 TYR 5.48 -0.58 1 85 LYS 3.24 -0.17 1 86 GLN 1.80 -0.31 1 87 HIS -0.24 -0.11 1 91 THR 2.39 -0.26 1 93 GLU -0.94 -0.03 1 94 THR 0.97 -0.01 1 95 SER 0.24 0.07 1 97 ALA -0.03 0.09 1 98 THR -4.88 0.32 1 99 GLN -4.64 0.40 1 100 ILE -0.06 0.61 1 101 ILE -5.32 0.89 1 102 THR -1.96 0.66 1 103 PHE 4.73 -0.36 1 104 GLU 3.74 -0.37 1 105 SER 1.99 -0.15 1 106 PHE 4.73 -0.65 1 107 LYS 6.17 -0.92 1 108 GLU 2.57 -0.36 1 109 ASN 3.10 -0.39 1 110 LEU 3.83 -0.76 1 111 LYS 6.18 -0.69 1 112 ASP 4.46 -0.23 1 113 PHE 3.56 -0.21 1 114 LEU 1.94 -0.55 1 115 LEU 1.35 -0.15 1 116 VAL -1.20 0.20 1 119 PHE 1.22 -0.04 1 120 ASP -2.56 0.38 1 123 GLU 1.57 -0.07 1 125 VAL 0.85 0.01 1 126 GLN -0.54 0.08 1 127 GLU 0.23 -0.21 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15531_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -5.32 _LACS_plot.Line_1_terminator_val_y_1 -1.89 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.97 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.52 _LACS_plot.Line_2_terminator_val_x_2 7.17 _LACS_plot.Line_2_terminator_val_y_2 2.73 _LACS_plot.Y_axis_chem_shift_offset -0.19 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 25 LEU 2.53 -2.42 0 36 MET 7.17 -0.30 0 10 THR -0.20 -0.44 1 13 TRP -1.55 1.52 1 14 GLU 3.14 -0.72 1 15 HIS 2.69 1.86 1 16 VAL 5.25 1.51 1 17 ASN 3.36 2.05 1 18 ALA 4.07 1.34 1 19 ILE 5.22 1.87 1 20 GLN 5.32 3.65 1 21 GLU 2.57 1.59 1 22 ALA 3.49 1.07 1 23 ARG 4.17 2.53 1 24 ARG 3.59 2.81 1 26 LEU 3.70 1.56 1 27 ASN 2.77 1.60 1 28 LEU 0.18 0.15 1 29 SER 1.40 0.14 1 30 ARG -0.22 -0.60 1 31 ASP -0.51 0.04 1 32 THR 1.85 -0.05 1 33 ALA 1.73 -0.08 1 34 ALA 2.93 0.24 1 35 GLU 0.82 0.65 1 37 ASN 0.13 0.05 1 38 GLU -0.94 -0.51 1 39 THR -3.13 -0.48 1 40 VAL -5.30 -3.13 1 41 GLU -3.28 -1.03 1 42 VAL -0.03 -0.24 1 43 ILE 0.62 1.56 1 44 SER -0.35 -0.26 1 47 PHE -5.21 -3.33 1 48 ASP -3.77 -0.64 1 49 LEU 2.53 -0.19 1 50 GLN 1.81 0.67 1 53 THR 0.10 0.51 1 55 LEU 4.54 0.70 1 56 GLN 5.32 4.39 1 57 THR 6.25 2.03 1 58 ARG 3.59 1.73 1 59 LEU 4.86 -0.25 1 60 GLU -4.45 -0.89 1 61 LEU 5.45 4.33 1 62 TYR 3.73 2.12 1 63 LYS 5.03 2.78 1 64 GLN 2.39 1.43 1 66 LEU 2.52 -0.91 1 67 ARG -5.20 -0.44 1 69 SER 3.74 1.80 1 70 LEU 1.35 0.92 1 71 THR 6.24 2.05 1 72 LYS 2.66 0.48 1 73 LEU 3.11 -1.00 1 74 LYS 6.75 2.09 1 77 LEU 4.28 1.53 1 78 THR 4.20 1.14 1 80 MET 1.37 1.01 1 81 ALA 4.64 2.67 1 82 SER 3.74 1.68 1 83 HIS 3.86 3.59 1 84 TYR 5.48 3.76 1 85 LYS 3.24 1.49 1 86 GLN 1.80 1.88 1 87 HIS -0.24 0.97 1 93 GLU -0.94 -0.17 1 94 THR 0.97 0.09 1 95 SER 0.24 -0.73 1 97 ALA -0.03 -0.01 1 98 THR -4.88 -0.37 1 99 GLN -4.64 -2.87 1 100 ILE -0.06 0.23 1 101 ILE -5.32 -1.55 1 102 THR -1.96 1.27 1 103 PHE 4.73 1.44 1 104 GLU 3.74 2.67 1 105 SER 1.99 2.29 1 106 PHE 4.73 -0.13 1 107 LYS 6.17 1.75 1 108 GLU 2.57 2.66 1 109 ASN 3.10 2.56 1 110 LEU 3.83 -0.18 1 111 LYS 6.18 1.65 1 112 ASP 4.46 2.94 1 113 PHE 3.56 1.17 1 114 LEU 1.94 0.80 1 115 LEU 1.35 0.64 1 116 VAL -1.20 -0.32 1 119 PHE 1.22 0.34 1 120 ASP -2.56 -0.91 1 125 VAL 0.85 0.04 1 126 GLN -0.54 -1.11 1 stop_ save_