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 bmr15528_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.34 _LACS_plot.Line_1_terminator_val_y_1 -2.75 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 1.01 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.29 _LACS_plot.Line_2_terminator_val_x_2 5.94 _LACS_plot.Line_2_terminator_val_y_2 4.66 _LACS_plot.Y_axis_chem_shift_offset -0.21 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 99 GLU 5.49 1.80 0 103 ARG 4.74 1.22 0 56 HIS 2.16 4.36 0 10 HIS 0.19 0.48 1 11 SER 0.12 0.26 1 12 LYS 0.40 0.43 1 13 MET 0.26 0.28 1 14 THR -0.12 -0.03 1 15 ALA 0.09 0.28 1 17 ALA -0.46 0.02 1 18 TYR 0.21 0.07 1 19 THR 0.09 0.05 1 20 GLU -0.81 -0.29 1 24 GLN 0.06 0.06 1 26 LEU -1.68 -0.46 1 27 SER -2.32 -0.84 1 28 ALA 3.60 2.85 1 29 GLU 3.49 2.83 1 30 GLU 2.24 2.44 1 31 LYS 4.44 3.69 1 32 LYS 3.92 3.28 1 33 GLU 3.24 2.56 1 34 ILE 4.47 4.21 1 35 ASP 5.68 4.12 1 36 LYS 2.57 2.46 1 37 ARG -0.57 -0.21 1 38 SER -3.93 -0.73 1 39 VAL -4.69 -3.11 1 40 TYR -3.53 -1.27 1 41 VAL -2.83 -2.40 1 43 ASN 2.08 0.46 1 44 VAL -0.60 -0.59 1 45 ASP -2.15 0.41 1 46 TYR 1.61 1.56 1 48 SER 0.87 1.59 1 49 THR -5.75 -2.97 1 50 ALA 3.98 3.14 1 51 GLN 4.29 3.40 1 52 ASP 3.40 3.36 1 53 LEU 3.02 3.27 1 54 GLU 3.89 3.23 1 55 ALA 3.52 2.58 1 57 PHE 0.95 1.78 1 59 SER 3.34 1.98 1 62 SER 1.72 1.54 1 63 ILE -1.37 0.88 1 64 ASN -0.63 0.53 1 65 ARG -4.81 -0.30 1 66 ILE -4.24 -0.05 1 67 THR -1.75 -0.69 1 68 ILE -1.97 0.14 1 69 LEU -0.21 0.09 1 71 ASP -4.17 -0.50 1 72 LYS 0.04 -0.59 1 73 PHE 2.95 2.51 1 74 SER 0.82 0.67 1 76 HIS -1.19 -0.78 1 78 LYS -2.96 -0.24 1 80 TYR -2.83 -1.63 1 81 ALA -7.34 -2.41 1 82 TYR -5.01 -2.27 1 83 ILE -1.49 -0.76 1 84 GLU -3.70 -2.10 1 85 PHE 0.20 1.37 1 86 ALA 1.61 2.02 1 87 GLU -4.97 -2.25 1 88 ARG 4.38 3.55 1 89 ASN 4.33 2.76 1 90 SER 3.48 3.10 1 91 VAL 5.95 4.65 1 92 ASP 4.22 3.20 1 93 ALA 2.89 1.95 1 94 ALA 2.67 3.02 1 95 VAL 5.02 3.62 1 96 ALA 2.68 1.42 1 97 MET 0.99 -0.25 1 98 ASP 2.37 3.28 1 100 THR -3.08 -0.74 1 101 VAL 0.78 0.10 1 102 PHE -3.61 -1.50 1 105 ARG -4.19 -1.93 1 106 THR 2.04 1.02 1 107 ILE -2.11 -0.27 1 108 LYS -4.88 -4.03 1 109 VAL -2.33 -0.94 1 110 LEU -5.78 -1.44 1 112 LYS 1.56 2.21 1 113 ARG -1.18 -0.53 1 114 THR 0.55 0.43 1 115 ASN 0.15 0.14 1 116 MET -0.33 0.10 1 119 ILE -0.15 -0.07 1 120 SER -0.35 -0.15 1 121 SER 0.36 0.36 1 122 THR 0.29 0.03 1 123 ASP 0.30 0.34 1 124 ARG 0.71 1.47 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15528_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.34 _LACS_plot.Line_1_terminator_val_y_1 4.59 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -0.98 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.71 _LACS_plot.Line_2_terminator_val_x_2 5.94 _LACS_plot.Line_2_terminator_val_y_2 -1.28 _LACS_plot.Y_axis_chem_shift_offset -0.21 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 99 GLU 5.49 -3.69 0 103 ARG 4.74 -3.52 0 56 HIS 2.16 2.20 0 10 HIS 0.19 0.29 1 11 SER 0.12 0.14 1 12 LYS 0.40 0.03 1 13 MET 0.26 0.02 1 14 THR -0.12 0.09 1 15 ALA 0.09 0.19 1 17 ALA -0.46 0.48 1 18 TYR 0.21 -0.14 1 19 THR 0.09 -0.04 1 20 GLU -0.81 0.52 1 24 GLN 0.06 0.00 1 26 LEU -1.68 1.22 1 27 SER -2.32 1.48 1 28 ALA 3.60 -0.75 1 29 GLU 3.49 -0.66 1 30 GLU 2.24 0.20 1 31 LYS 4.44 -0.75 1 32 LYS 3.92 -0.64 1 33 GLU 3.24 -0.68 1 34 ILE 4.47 -0.26 1 35 ASP 5.68 -1.56 1 36 LYS 2.57 -0.11 1 37 ARG -0.57 0.36 1 38 SER -3.93 3.20 1 39 VAL -4.69 1.58 1 40 TYR -3.53 2.26 1 41 VAL -2.83 0.43 1 43 ASN 2.08 -1.62 1 44 VAL -0.60 0.01 1 45 ASP -2.15 2.56 1 46 TYR 1.61 -0.05 1 48 SER 0.87 0.72 1 49 THR -5.75 2.78 1 50 ALA 3.98 -0.84 1 51 GLN 4.29 -0.89 1 52 ASP 3.40 -0.04 1 53 LEU 3.02 0.25 1 54 GLU 3.89 -0.66 1 55 ALA 3.52 -0.94 1 57 PHE 0.95 0.83 1 59 SER 3.34 -1.36 1 62 SER 1.72 -0.18 1 63 ILE -1.37 2.25 1 64 ASN -0.63 1.16 1 65 ARG -4.81 4.51 1 66 ILE -4.24 4.19 1 67 THR -1.75 1.06 1 68 ILE -1.97 2.11 1 69 LEU -0.21 0.30 1 71 ASP -4.17 3.67 1 72 LYS 0.04 -0.63 1 73 PHE 2.95 -0.44 1 74 SER 0.82 -0.15 1 76 HIS -1.19 0.41 1 78 LYS -2.96 2.72 1 80 TYR -2.83 1.20 1 81 ALA -7.34 4.93 1 82 TYR -5.01 2.74 1 83 ILE -1.49 0.73 1 84 GLU -3.70 1.60 1 85 PHE 0.20 1.17 1 86 ALA 1.61 0.41 1 87 GLU -4.97 2.72 1 88 ARG 4.38 -0.83 1 89 ASN 4.33 -1.57 1 90 SER 3.48 -0.38 1 91 VAL 5.95 -1.30 1 92 ASP 4.22 -1.02 1 93 ALA 2.89 -0.94 1 94 ALA 2.67 0.35 1 95 VAL 5.02 -1.40 1 96 ALA 2.68 -1.26 1 97 MET 0.99 -1.24 1 98 ASP 2.37 0.91 1 100 THR -3.08 2.34 1 101 VAL 0.78 -0.68 1 102 PHE -3.61 2.11 1 105 ARG -4.19 2.26 1 106 THR 2.04 -1.02 1 107 ILE -2.11 1.84 1 108 LYS -4.88 0.85 1 109 VAL -2.33 1.39 1 110 LEU -5.78 4.34 1 112 LYS 1.56 0.65 1 113 ARG -1.18 0.65 1 114 THR 0.55 -0.12 1 115 ASN 0.15 -0.01 1 116 MET -0.33 0.43 1 119 ILE -0.15 0.08 1 120 SER -0.35 0.20 1 121 SER 0.36 0.00 1 122 THR 0.29 -0.26 1 123 ASP 0.30 0.04 1 124 ARG 0.71 0.76 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15528_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.34 _LACS_plot.Line_1_terminator_val_y_1 0.71 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -0.16 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.19 _LACS_plot.Line_2_terminator_val_x_2 5.94 _LACS_plot.Line_2_terminator_val_y_2 -0.51 _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 38 SER -3.93 1.88 0 10 HIS 0.19 0.06 1 11 SER 0.12 -0.02 1 12 LYS 0.40 0.04 1 13 MET 0.26 0.05 1 14 THR -0.12 -0.02 1 15 ALA 0.09 0.02 1 17 ALA -0.46 -0.03 1 18 TYR 0.21 0.09 1 19 THR 0.09 -0.08 1 20 GLU -0.81 -0.05 1 24 GLN 0.06 -0.17 1 26 LEU -1.68 0.07 1 27 SER -2.32 0.00 1 28 ALA 3.60 -0.28 1 29 GLU 3.49 -0.32 1 30 GLU 2.24 -0.30 1 31 LYS 4.44 -0.48 1 32 LYS 3.92 -0.28 1 33 GLU 3.24 -0.32 1 34 ILE 4.47 -0.67 1 35 ASP 5.68 -0.50 1 36 LYS 2.57 -0.13 1 37 ARG -0.57 0.32 1 39 VAL -4.69 1.00 1 40 TYR -3.53 0.56 1 41 VAL -2.83 0.76 1 43 ASN 2.08 -0.23 1 44 VAL -0.60 -0.14 1 45 ASP -2.15 -0.17 1 46 TYR 1.61 -0.07 1 48 SER 0.87 -0.04 1 49 THR -5.75 0.31 1 50 ALA 3.98 -0.40 1 51 GLN 4.29 -0.40 1 52 ASP 3.40 -0.05 1 53 LEU 3.02 -0.41 1 54 GLU 3.89 -0.60 1 55 ALA 3.52 -0.07 1 56 HIS 2.16 -0.45 1 57 PHE 0.95 -0.07 1 59 SER 3.34 -0.18 1 62 SER 1.72 -0.05 1 63 ILE -1.37 -0.16 1 64 ASN -0.63 -0.07 1 65 ARG -4.81 0.82 1 66 ILE -4.24 0.40 1 67 THR -1.75 1.03 1 68 ILE -1.97 0.16 1 69 LEU -0.21 0.73 1 71 ASP -4.17 0.55 1 72 LYS 0.04 0.23 1 73 PHE 2.95 -0.26 1 74 SER 0.82 -0.12 1 76 HIS -1.19 -0.01 1 78 LYS -2.96 0.45 1 80 TYR -2.83 0.39 1 81 ALA -7.34 1.07 1 82 TYR -5.01 1.33 1 83 ILE -1.49 0.11 1 84 GLU -3.70 0.45 1 85 PHE 0.20 0.20 1 86 ALA 1.61 -0.08 1 87 GLU -4.97 0.41 1 88 ARG 4.38 -0.38 1 89 ASN 4.33 -0.24 1 90 SER 3.48 -0.46 1 91 VAL 5.95 -0.92 1 92 ASP 4.22 -0.32 1 93 ALA 2.89 -0.13 1 94 ALA 2.67 0.22 1 95 VAL 5.02 -0.38 1 96 ALA 2.68 0.08 1 97 MET 0.99 -0.01 1 98 ASP 2.37 -0.22 1 99 GLU 5.49 -0.20 1 100 THR -3.08 0.15 1 101 VAL 0.78 0.52 1 102 PHE -3.61 0.05 1 103 ARG 4.74 -0.95 1 105 ARG -4.19 0.40 1 106 THR 2.04 0.24 1 107 ILE -2.11 0.71 1 108 LYS -4.88 1.20 1 109 VAL -2.33 1.29 1 110 LEU -5.78 0.43 1 112 LYS 1.56 -0.21 1 113 ARG -1.18 0.11 1 114 THR 0.55 -0.09 1 115 ASN 0.15 -0.06 1 119 ILE -0.15 0.06 1 120 SER -0.35 0.06 1 121 SER 0.36 -0.11 1 123 ASP 0.30 0.00 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15528_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.34 _LACS_plot.Line_1_terminator_val_y_1 -2.95 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 0.64 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.93 _LACS_plot.Line_2_terminator_val_x_2 5.94 _LACS_plot.Line_2_terminator_val_y_2 2.21 _LACS_plot.Y_axis_chem_shift_offset 0.13 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 49 THR -5.75 1.24 0 10 HIS 0.19 0.47 1 11 SER 0.12 -0.09 1 12 LYS 0.40 -0.01 1 13 MET 0.26 0.07 1 14 THR -0.12 -0.45 1 15 ALA 0.09 0.28 1 17 ALA -0.46 -0.43 1 18 TYR 0.21 0.13 1 19 THR 0.09 -0.70 1 20 GLU -0.81 -0.47 1 26 LEU -1.68 -0.08 1 27 SER -2.32 0.19 1 29 GLU 3.49 2.28 1 30 GLU 2.24 2.59 1 31 LYS 4.44 1.37 1 32 LYS 3.92 2.25 1 33 GLU 3.24 2.39 1 34 ILE 4.47 4.24 1 35 ASP 5.68 2.49 1 36 LYS 2.57 -0.20 1 37 ARG -0.57 -1.94 1 38 SER -3.93 -0.79 1 39 VAL -4.69 -1.78 1 40 TYR -3.53 -2.92 1 41 VAL -2.83 -1.65 1 43 ASN 2.08 -0.84 1 44 VAL -0.60 -0.42 1 45 ASP -2.15 0.91 1 46 TYR 1.61 -0.45 1 48 SER 0.87 -1.38 1 50 ALA 3.98 1.24 1 51 GLN 4.29 2.22 1 52 ASP 3.40 3.54 1 53 LEU 3.02 0.86 1 54 GLU 3.89 1.87 1 55 ALA 3.52 2.91 1 56 HIS 2.16 2.24 1 57 PHE 0.95 1.50 1 59 SER 3.34 1.36 1 62 SER 1.72 0.69 1 63 ILE -1.37 -1.36 1 64 ASN -0.63 -0.51 1 65 ARG -4.81 -2.51 1 66 ILE -4.24 -2.68 1 67 THR -1.75 -1.17 1 68 ILE -1.97 -2.66 1 69 LEU -0.21 -2.10 1 71 ASP -4.17 -0.86 1 72 LYS 0.04 1.13 1 73 PHE 2.95 1.35 1 74 SER 0.82 0.21 1 80 TYR -2.83 -4.18 1 81 ALA -7.34 -2.44 1 82 TYR -5.01 0.33 1 83 ILE -1.49 -2.88 1 84 GLU -3.70 -0.49 1 85 PHE 0.20 -1.38 1 86 ALA 1.61 0.34 1 87 GLU -4.97 -0.13 1 88 ARG 4.38 2.60 1 89 ASN 4.33 1.98 1 90 SER 3.48 -0.09 1 91 VAL 5.95 0.69 1 92 ASP 4.22 2.29 1 93 ALA 2.89 1.47 1 94 ALA 2.67 2.73 1 95 VAL 5.02 2.47 1 96 ALA 2.68 0.44 1 97 MET 0.99 -0.34 1 98 ASP 2.37 -0.32 1 99 GLU 5.49 -0.23 1 100 THR -3.08 -1.82 1 101 VAL 0.78 -0.16 1 102 PHE -3.61 -1.58 1 103 ARG 4.74 -0.29 1 105 ARG -4.19 -1.76 1 106 THR 2.04 0.94 1 107 ILE -2.11 -1.52 1 108 LYS -4.88 -0.76 1 109 VAL -2.33 -1.79 1 112 LYS 1.56 -0.77 1 113 ARG -1.18 -0.54 1 114 THR 0.55 -0.66 1 115 ASN 0.15 -0.69 1 119 ILE -0.15 -0.14 1 120 SER -0.35 0.09 1 121 SER 0.36 0.21 1 122 THR 0.29 -0.45 1 123 ASP 0.30 -1.33 1 stop_ save_