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 bmr15627_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.56 _LACS_plot.Line_1_terminator_val_y_1 -2.68 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.66 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.88 _LACS_plot.Line_2_terminator_val_x_2 7.17 _LACS_plot.Line_2_terminator_val_y_2 3.70 _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 77 HIS 7.17 6.38 0 12 GLU 4.20 2.26 1 13 LYS -1.27 -0.49 1 14 ALA 3.61 1.29 1 15 PHE -4.32 -4.01 1 16 VAL -2.76 -0.43 1 18 GLU -4.24 -0.89 1 19 LEU -4.28 -1.54 1 20 ALA -2.48 -1.21 1 21 VAL 0.32 0.63 1 22 ALA -5.28 -1.93 1 23 ASP 3.73 3.25 1 24 ASP 0.00 -0.68 1 26 VAL -3.32 -1.20 1 27 ASN -3.03 -0.80 1 28 VAL -1.98 -1.64 1 29 ARG -3.95 -2.05 1 30 PHE -2.57 -0.52 1 31 ARG -0.24 -0.40 1 32 ILE -2.10 -1.34 1 33 ALA -0.38 0.15 1 34 ASP 2.60 2.02 1 36 TYR -2.90 -0.63 1 37 TYR -2.51 -2.10 1 38 MET -6.37 -1.26 1 39 TYR 0.71 0.25 1 40 GLN 2.94 4.37 1 41 ALA 1.42 1.05 1 42 LYS -2.91 -2.92 1 43 ILE 1.25 1.13 1 44 VAL -5.19 -1.14 1 46 LYS -4.21 -1.11 1 47 THR -6.49 -2.60 1 48 ASN -2.47 -0.22 1 50 ALA -0.81 0.23 1 51 ASP 4.75 1.55 1 52 LEU 1.79 1.74 1 53 LEU -1.90 -1.71 1 55 GLN 0.42 0.00 1 57 SER -2.07 -1.25 1 58 PHE -2.38 0.28 1 59 SER 0.30 0.06 1 60 LYS 2.45 2.01 1 62 GLU -6.06 -2.56 1 63 GLU -0.60 0.24 1 64 LYS -6.00 -1.00 1 65 GLU -2.35 -1.63 1 66 ASP -4.74 -2.00 1 67 GLU 1.41 0.85 1 68 PHE 1.54 1.24 1 69 PHE -1.96 -0.80 1 71 ARG 2.15 0.94 1 72 GLN -6.66 -2.09 1 73 THR 3.01 1.21 1 74 VAL -7.56 -4.31 1 75 TYR -5.26 -1.36 1 76 HIS -1.22 0.71 1 78 GLU -5.33 -1.38 1 79 ALA -3.69 -0.76 1 80 GLN -2.83 -0.91 1 81 VAL -3.85 -1.82 1 82 ALA -3.34 -1.80 1 83 PHE -4.10 -1.81 1 85 TYR 0.47 -0.56 1 86 ALA -0.23 0.06 1 87 LYS -4.17 -2.43 1 88 ALA 1.02 0.24 1 89 VAL -0.55 -0.18 1 91 GLU -2.30 -0.50 1 93 TYR -4.52 -2.02 1 94 LYS -4.42 -2.21 1 95 LEU -5.03 -1.41 1 96 VAL -0.19 -0.24 1 97 LEU -5.74 -2.19 1 98 THR -1.86 -0.50 1 99 TYR -2.43 -2.37 1 100 GLN -4.82 -1.38 1 102 SER -5.50 -0.85 1 103 ALA -4.41 -2.55 1 104 GLU 3.33 2.42 1 105 ALA 1.27 0.95 1 107 VAL -4.07 -1.08 1 109 TYR 2.26 1.12 1 112 VAL -3.23 -1.29 1 113 ASP -4.35 -2.23 1 114 THR -0.91 0.54 1 115 GLU -4.33 -1.83 1 116 PHE -4.55 -1.35 1 117 ASP -0.81 -0.50 1 118 ILE 1.22 -0.82 1 119 PHE 0.00 -0.74 1 121 ASN 1.51 0.60 1 123 THR -0.57 -0.33 1 124 TYR -3.42 -0.57 1 125 HIS -2.16 -0.03 1 127 GLN 0.15 0.18 1 128 THR 0.14 1.15 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15627_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.56 _LACS_plot.Line_1_terminator_val_y_1 4.88 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.34 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 1.12 _LACS_plot.Line_2_terminator_val_x_2 7.17 _LACS_plot.Line_2_terminator_val_y_2 -3.47 _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 77 HIS 7.17 -0.79 0 12 GLU 4.20 -1.94 1 13 LYS -1.27 0.78 1 14 ALA 3.61 -2.32 1 15 PHE -4.32 0.31 1 16 VAL -2.76 2.33 1 18 GLU -4.24 3.35 1 19 LEU -4.28 2.74 1 20 ALA -2.48 1.27 1 21 VAL 0.32 0.31 1 22 ALA -5.28 3.35 1 23 ASP 3.73 -0.48 1 24 ASP 0.00 -0.68 1 26 VAL -3.32 2.12 1 27 ASN -3.03 2.23 1 28 VAL -1.98 0.34 1 29 ARG -3.95 1.90 1 30 PHE -2.57 2.05 1 31 ARG -0.24 -0.16 1 32 ILE -2.10 0.76 1 33 ALA -0.38 0.53 1 34 ASP 2.60 -0.58 1 36 TYR -2.90 2.27 1 37 TYR -2.51 0.41 1 38 MET -6.37 5.11 1 39 TYR 0.71 -0.46 1 40 GLN 2.94 1.43 1 41 ALA 1.42 -0.37 1 42 LYS -2.91 -0.01 1 43 ILE 1.25 -0.12 1 44 VAL -5.19 4.05 1 46 LYS -4.21 3.10 1 47 THR -6.49 3.89 1 48 ASN -2.47 2.25 1 50 ALA -0.81 1.04 1 51 ASP 4.75 -3.20 1 52 LEU 1.79 -0.05 1 53 LEU -1.90 0.19 1 55 GLN 0.42 -0.42 1 57 SER -2.07 0.82 1 58 PHE -2.38 2.66 1 59 SER 0.30 -0.24 1 60 LYS 2.45 -0.44 1 62 GLU -6.06 3.50 1 63 GLU -0.60 0.84 1 64 LYS -6.00 5.00 1 65 GLU -2.35 0.72 1 66 ASP -4.74 2.74 1 67 GLU 1.41 -0.56 1 68 PHE 1.54 -0.30 1 69 PHE -1.96 1.16 1 71 ARG 2.15 -1.21 1 72 GLN -6.66 4.57 1 73 THR 3.01 -1.80 1 74 VAL -7.56 3.25 1 75 TYR -5.26 3.90 1 76 HIS -1.22 1.93 1 78 GLU -5.33 3.95 1 79 ALA -3.69 2.93 1 80 GLN -2.83 1.92 1 81 VAL -3.85 2.03 1 82 ALA -3.34 1.54 1 83 PHE -4.10 2.29 1 85 TYR 0.47 -1.03 1 86 ALA -0.23 0.29 1 87 LYS -4.17 1.74 1 88 ALA 1.02 -0.78 1 89 VAL -0.55 0.37 1 91 GLU -2.30 1.80 1 93 TYR -4.52 2.50 1 94 LYS -4.42 2.21 1 95 LEU -5.03 3.62 1 96 VAL -0.19 -0.05 1 97 LEU -5.74 3.55 1 98 THR -1.86 1.36 1 99 TYR -2.43 0.06 1 100 GLN -4.82 3.44 1 102 SER -5.50 4.65 1 103 ALA -4.41 1.86 1 104 GLU 3.33 -0.91 1 105 ALA 1.27 -0.32 1 107 VAL -4.07 2.99 1 109 TYR 2.26 -1.14 1 112 VAL -3.23 1.94 1 113 ASP -4.35 2.12 1 114 THR -0.91 1.45 1 115 GLU -4.33 2.50 1 116 PHE -4.55 3.20 1 117 ASP -0.81 0.31 1 118 ILE 1.22 -2.04 1 119 PHE 0.00 -0.74 1 121 ASN 1.51 -0.91 1 123 THR -0.57 0.24 1 124 TYR -3.42 2.85 1 125 HIS -2.16 2.13 1 127 GLN 0.15 0.03 1 128 THR 0.14 1.01 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15627_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.56 _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 -0.24 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.13 _LACS_plot.Line_2_terminator_val_x_2 7.17 _LACS_plot.Line_2_terminator_val_y_2 -0.66 _LACS_plot.Y_axis_chem_shift_offset 0.05 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 77 HIS 7.17 -0.19 0 98 THR -1.86 1.45 0 12 GLU 4.20 -0.10 1 13 LYS -1.27 -0.25 1 14 ALA 3.61 -1.23 1 15 PHE -4.32 0.22 1 16 VAL -2.76 0.26 1 18 GLU -4.24 0.01 1 19 LEU -4.28 0.51 1 20 ALA -2.48 0.58 1 21 VAL 0.32 0.04 1 22 ALA -5.28 0.18 1 23 ASP 3.73 -0.19 1 24 ASP 0.00 -0.12 1 26 VAL -3.32 0.20 1 27 ASN -3.03 0.43 1 28 VAL -1.98 0.13 1 29 ARG -3.95 0.65 1 30 PHE -2.57 0.20 1 31 ARG -0.24 0.15 1 32 ILE -2.10 0.63 1 33 ALA -0.38 -0.22 1 34 ASP 2.60 -0.14 1 36 TYR -2.90 0.63 1 37 TYR -2.51 0.71 1 38 MET -6.37 -0.23 1 39 TYR 0.71 -0.20 1 40 GLN 2.94 -0.83 1 41 ALA 1.42 -0.39 1 42 LYS -2.91 -0.05 1 43 ILE 1.25 0.68 1 44 VAL -5.19 0.34 1 46 LYS -4.21 0.24 1 47 THR -6.49 1.21 1 48 ASN -2.47 -0.56 1 50 ALA -0.81 -0.14 1 51 ASP 4.75 -0.44 1 52 LEU 1.79 -0.53 1 53 LEU -1.90 0.47 1 55 GLN 0.42 -0.35 1 57 SER -2.07 0.03 1 58 PHE -2.38 0.19 1 59 SER 0.30 -0.10 1 60 LYS 2.45 -0.19 1 62 GLU -6.06 0.22 1 63 GLU -0.60 0.21 1 64 LYS -6.00 -0.06 1 65 GLU -2.35 0.36 1 66 ASP -4.74 0.01 1 67 GLU 1.41 -0.54 1 68 PHE 1.54 -0.54 1 69 PHE -1.96 0.09 1 71 ARG 2.15 0.15 1 72 GLN -6.66 0.14 1 73 THR 3.01 0.16 1 74 VAL -7.56 1.01 1 75 TYR -5.26 0.64 1 76 HIS -1.22 -0.07 1 78 GLU -5.33 0.81 1 79 ALA -3.69 -0.52 1 80 GLN -2.83 0.98 1 81 VAL -3.85 0.20 1 82 ALA -3.34 0.58 1 83 PHE -4.10 -0.27 1 85 TYR 0.47 0.42 1 86 ALA -0.23 -0.22 1 87 LYS -4.17 -0.07 1 88 ALA 1.02 -0.40 1 89 VAL -0.55 -0.37 1 91 GLU -2.30 0.08 1 93 TYR -4.52 0.29 1 94 LYS -4.42 0.65 1 95 LEU -5.03 0.56 1 96 VAL -0.19 0.46 1 97 LEU -5.74 0.88 1 99 TYR -2.43 0.29 1 100 GLN -4.82 0.61 1 102 SER -5.50 0.64 1 103 ALA -4.41 0.19 1 104 GLU 3.33 -0.21 1 105 ALA 1.27 -0.23 1 107 VAL -4.07 -0.11 1 109 TYR 2.26 -0.22 1 112 VAL -3.23 -0.28 1 113 ASP -4.35 0.80 1 114 THR -0.91 -0.03 1 115 GLU -4.33 0.68 1 116 PHE -4.55 -0.06 1 117 ASP -0.81 -0.02 1 118 ILE 1.22 -0.90 1 119 PHE 0.00 -0.13 1 121 ASN 1.51 -0.47 1 123 THR -0.57 0.76 1 124 TYR -3.42 0.02 1 125 HIS -2.16 0.09 1 127 GLN 0.15 -0.09 1 128 THR 0.14 -0.34 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15627_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.56 _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 -0.12 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.33 _LACS_plot.Line_2_terminator_val_x_2 7.17 _LACS_plot.Line_2_terminator_val_y_2 1.62 _LACS_plot.Y_axis_chem_shift_offset 0.67 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 128 THR 0.14 4.38 0 12 GLU 4.20 0.41 1 13 LYS -1.27 -0.46 1 14 ALA 3.61 -2.17 1 15 PHE -4.32 -2.20 1 16 VAL -2.76 0.52 1 18 GLU -4.24 -2.44 1 19 LEU -4.28 -2.22 1 20 ALA -2.48 -1.85 1 21 VAL 0.32 -1.72 1 22 ALA -5.28 -1.22 1 23 ASP 3.73 0.88 1 24 ASP 0.00 -0.22 1 26 VAL -3.32 -1.99 1 27 ASN -3.03 -1.21 1 28 VAL -1.98 -2.15 1 29 ARG -3.95 -0.69 1 30 PHE -2.57 -0.18 1 31 ARG -0.24 -0.66 1 32 ILE -2.10 -1.36 1 33 ALA -0.38 -0.26 1 34 ASP 2.60 1.25 1 36 TYR -2.90 -2.56 1 37 TYR -2.51 -3.08 1 38 MET -6.37 -0.71 1 39 TYR 0.71 0.38 1 40 GLN 2.94 0.04 1 41 ALA 1.42 -0.13 1 42 LYS -2.91 -1.45 1 43 ILE 1.25 -0.98 1 44 VAL -5.19 -2.23 1 46 LYS -4.21 -1.87 1 47 THR -6.49 -0.36 1 48 ASN -2.47 0.66 1 50 ALA -0.81 -0.43 1 51 ASP 4.75 -1.00 1 52 LEU 1.79 0.13 1 53 LEU -1.90 0.42 1 55 GLN 0.42 -0.17 1 57 SER -2.07 -1.07 1 58 PHE -2.38 1.29 1 59 SER 0.30 1.18 1 60 LYS 2.45 1.25 1 62 GLU -6.06 -1.81 1 63 GLU -0.60 -0.41 1 64 LYS -6.00 -2.90 1 65 GLU -2.35 -1.68 1 66 ASP -4.74 0.38 1 67 GLU 1.41 -1.17 1 68 PHE 1.54 1.28 1 69 PHE -1.96 0.15 1 71 ARG 2.15 -0.01 1 72 GLN -6.66 -1.42 1 73 THR 3.01 0.36 1 74 VAL -7.56 -3.00 1 75 TYR -5.26 0.03 1 76 HIS -1.22 2.12 1 77 HIS 7.17 1.26 1 78 GLU -5.33 -3.02 1 79 ALA -3.69 -2.38 1 80 GLN -2.83 -2.12 1 81 VAL -3.85 -3.71 1 82 ALA -3.34 -1.81 1 83 PHE -4.10 -1.58 1 85 TYR 0.47 2.02 1 86 ALA -0.23 -1.11 1 87 LYS -4.17 -2.90 1 88 ALA 1.02 -0.48 1 89 VAL -0.55 -0.43 1 91 GLU -2.30 -1.89 1 93 TYR -4.52 -3.61 1 94 LYS -4.42 -1.39 1 95 LEU -5.03 -3.17 1 96 VAL -0.19 -1.06 1 97 LEU -5.74 -2.87 1 98 THR -1.86 -1.14 1 99 TYR -2.43 -2.92 1 100 GLN -4.82 -1.96 1 102 SER -5.50 -2.77 1 103 ALA -4.41 2.16 1 104 GLU 3.33 0.49 1 105 ALA 1.27 -0.52 1 107 VAL -4.07 -4.13 1 109 TYR 2.26 -1.75 1 112 VAL -3.23 -3.36 1 113 ASP -4.35 0.26 1 114 THR -0.91 -2.72 1 115 GLU -4.33 -1.79 1 116 PHE -4.55 -1.92 1 117 ASP -0.81 -2.74 1 118 ILE 1.22 -1.04 1 119 PHE 0.00 -1.34 1 121 ASN 1.51 0.83 1 123 THR -0.57 -0.48 1 124 TYR -3.42 -2.17 1 127 GLN 0.15 -0.45 1 stop_ save_