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 bmr16277_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.86 _LACS_plot.Line_1_terminator_val_y_1 -3.61 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.84 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.41 _LACS_plot.Line_2_terminator_val_x_2 5.35 _LACS_plot.Line_2_terminator_val_y_2 3.49 _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 67 SER -2.66 4.26 0 10 LEU 0.88 -0.11 1 11 GLN 1.04 0.22 1 12 ALA -1.36 -0.85 1 13 THR 0.63 -0.05 1 14 GLU -5.75 -2.35 1 15 ALA -6.84 -2.68 1 16 THR 0.95 -0.34 1 17 ILE -1.82 -1.61 1 18 VAL -4.42 -3.30 1 19 THR -2.04 -1.15 1 20 LEU -5.10 -2.02 1 21 ASP -2.49 -2.41 1 22 SER 3.74 2.43 1 23 ASP -0.27 -0.14 1 24 ASN 4.63 1.47 1 25 ILE 1.50 -1.27 1 26 LEU 2.47 1.74 1 27 LEU -0.77 0.07 1 28 SER -2.20 -0.92 1 29 GLU -4.43 -1.64 1 30 GLU -5.17 -1.83 1 31 GLN -1.36 -0.93 1 32 VAL -6.44 -3.37 1 33 ASP 0.48 0.61 1 34 VAL 4.12 2.90 1 35 GLU 3.09 1.70 1 36 LEU 0.33 -0.63 1 37 VAL 3.29 1.39 1 38 GLN -4.69 -2.70 1 39 ARG 4.06 2.08 1 41 ASP 1.10 1.17 1 42 ILE 1.02 -2.57 1 43 ILE -6.11 -4.32 1 44 LYS -4.79 -2.22 1 45 VAL -1.53 -1.27 1 46 VAL 3.46 0.03 1 50 LYS -2.64 -2.11 1 51 PHE 2.38 1.56 1 53 VAL -5.81 -4.17 1 54 ASP -0.92 -1.26 1 56 ARG -5.49 -3.11 1 57 VAL 3.08 1.48 1 58 ILE -0.67 -0.23 1 59 GLU -3.92 -0.26 1 61 HIS -4.02 -0.57 1 62 SER -3.46 -2.53 1 63 MET -2.15 -2.23 1 64 VAL -3.93 -1.29 1 65 ASP -1.60 -1.44 1 66 GLU -1.13 -1.45 1 68 LEU 3.08 1.75 1 69 ILE 0.47 0.60 1 70 THR -1.59 -0.64 1 72 GLU 0.38 -0.64 1 73 ALA 1.37 1.55 1 74 MET -0.14 -0.70 1 76 VAL -2.89 -1.36 1 77 ALA 0.48 0.40 1 78 LYS -5.04 -3.64 1 79 LYS -0.97 -0.87 1 82 SER 0.85 1.65 1 83 THR -0.36 -0.65 1 84 VAL -5.29 -4.23 1 85 ILE -4.62 -2.98 1 86 ALA 2.64 0.36 1 88 SER -1.23 -0.49 1 89 ILE -1.82 -0.56 1 90 ASN -0.62 0.33 1 91 GLN 2.76 1.52 1 92 ASN 1.84 2.48 1 94 SER 0.77 0.53 1 95 LEU -6.86 -2.03 1 96 LEU -2.72 -1.93 1 97 ILE -5.50 -3.84 1 99 ALA 0.58 0.41 1 100 THR 0.61 0.02 1 101 HIS -2.56 0.64 1 102 VAL -4.70 -3.15 1 104 ALA 1.03 0.47 1 105 ASP -0.76 -0.14 1 106 THR -1.25 -0.46 1 107 THR -0.49 -0.40 1 108 LEU 3.17 2.28 1 109 SER 3.63 3.17 1 110 GLN 3.59 2.60 1 111 ILE 4.73 3.69 1 112 VAL 5.35 4.00 1 113 LYS 3.12 2.14 1 114 LEU 2.49 1.94 1 115 VAL 4.39 2.87 1 116 GLU 1.50 1.29 1 117 GLU 0.71 0.33 1 118 ALA 0.10 -0.37 1 119 GLN 1.15 1.64 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr16277_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.86 _LACS_plot.Line_1_terminator_val_y_1 3.25 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.16 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.59 _LACS_plot.Line_2_terminator_val_x_2 5.35 _LACS_plot.Line_2_terminator_val_y_2 -1.86 _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 67 SER -2.66 6.92 0 10 LEU 0.88 -0.99 1 11 GLN 1.04 -0.82 1 12 ALA -1.36 0.51 1 13 THR 0.63 -0.68 1 14 GLU -5.75 3.40 1 15 ALA -6.84 4.16 1 16 THR 0.95 -1.29 1 17 ILE -1.82 0.21 1 18 VAL -4.42 1.12 1 19 THR -2.04 0.89 1 20 LEU -5.10 3.08 1 21 ASP -2.49 0.08 1 22 SER 3.74 -1.31 1 23 ASP -0.27 0.13 1 24 ASN 4.63 -3.16 1 25 ILE 1.50 -2.77 1 26 LEU 2.47 -0.73 1 27 LEU -0.77 0.84 1 28 SER -2.20 1.28 1 29 GLU -4.43 2.79 1 30 GLU -5.17 3.34 1 31 GLN -1.36 0.43 1 32 VAL -6.44 3.07 1 33 ASP 0.48 0.13 1 34 VAL 4.12 -1.22 1 35 GLU 3.09 -1.39 1 36 LEU 0.33 -0.96 1 37 VAL 3.29 -1.90 1 38 GLN -4.69 1.99 1 39 ARG 4.06 -1.98 1 41 ASP 1.10 0.07 1 42 ILE 1.02 -3.59 1 43 ILE -6.11 1.79 1 44 LYS -4.79 2.57 1 45 VAL -1.53 0.26 1 46 VAL 3.46 -3.43 1 50 LYS -2.64 0.53 1 51 PHE 2.38 -0.82 1 53 VAL -5.81 1.64 1 54 ASP -0.92 -0.34 1 56 ARG -5.49 2.38 1 57 VAL 3.08 -1.60 1 58 ILE -0.67 0.44 1 59 GLU -3.92 3.66 1 61 HIS -4.02 3.45 1 62 SER -3.46 0.93 1 63 MET -2.15 -0.08 1 64 VAL -3.93 2.64 1 65 ASP -1.60 0.16 1 66 GLU -1.13 -0.32 1 68 LEU 3.08 -1.33 1 69 ILE 0.47 0.13 1 70 THR -1.59 0.95 1 72 GLU 0.38 -1.02 1 73 ALA 1.37 0.18 1 74 MET -0.14 -0.56 1 76 VAL -2.89 1.53 1 77 ALA 0.48 -0.08 1 78 LYS -5.04 1.40 1 79 LYS -0.97 0.10 1 82 SER 0.85 0.80 1 83 THR -0.36 -0.29 1 84 VAL -5.29 1.06 1 85 ILE -4.62 1.64 1 86 ALA 2.64 -2.28 1 88 SER -1.23 0.74 1 89 ILE -1.82 1.26 1 90 ASN -0.62 0.95 1 91 GLN 2.76 -1.24 1 92 ASN 1.84 0.64 1 94 SER 0.77 -0.24 1 95 LEU -6.86 4.83 1 96 LEU -2.72 0.79 1 97 ILE -5.50 1.66 1 99 ALA 0.58 -0.17 1 100 THR 0.61 -0.59 1 101 HIS -2.56 3.20 1 102 VAL -4.70 1.55 1 104 ALA 1.03 -0.56 1 105 ASP -0.76 0.62 1 106 THR -1.25 0.79 1 107 THR -0.49 0.09 1 108 LEU 3.17 -0.89 1 109 SER 3.63 -0.46 1 110 GLN 3.59 -0.99 1 111 ILE 4.73 -1.04 1 112 VAL 5.35 -1.35 1 113 LYS 3.12 -0.98 1 114 LEU 2.49 -0.55 1 115 VAL 4.39 -1.52 1 116 GLU 1.50 -0.21 1 117 GLU 0.71 -0.38 1 118 ALA 0.10 -0.47 1 119 GLN 1.15 0.49 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr16277_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.86 _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 -0.26 _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 5.35 _LACS_plot.Line_2_terminator_val_y_2 -0.65 _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 42 ILE 1.02 0.73 0 10 LEU 0.88 -0.26 1 11 GLN 1.04 -0.31 1 12 ALA -1.36 0.11 1 13 THR 0.63 -0.01 1 14 GLU -5.75 0.73 1 15 ALA -6.84 0.28 1 16 THR 0.95 0.40 1 17 ILE -1.82 0.59 1 18 VAL -4.42 0.90 1 19 THR -2.04 0.15 1 20 LEU -5.10 0.75 1 21 ASP -2.49 0.00 1 22 SER 3.74 -0.42 1 23 ASP -0.27 0.06 1 24 ASN 4.63 -0.69 1 25 ILE 1.50 -0.30 1 26 LEU 2.47 -0.24 1 27 LEU -0.77 -0.03 1 28 SER -2.20 0.00 1 29 GLU -4.43 0.64 1 30 GLU -5.17 0.22 1 31 GLN -1.36 0.63 1 32 VAL -6.44 0.46 1 33 ASP 0.48 -0.07 1 34 VAL 4.12 -0.57 1 35 GLU 3.09 -0.35 1 36 LEU 0.33 -0.14 1 37 VAL 3.29 -0.52 1 38 GLN -4.69 0.14 1 39 ARG 4.06 -0.96 1 41 ASP 1.10 -0.25 1 43 ILE -6.11 1.08 1 44 LYS -4.79 0.73 1 45 VAL -1.53 0.12 1 46 VAL 3.46 0.03 1 50 LYS -2.64 0.53 1 51 PHE 2.38 -0.61 1 53 VAL -5.81 0.32 1 54 ASP -0.92 0.46 1 56 ARG -5.49 0.74 1 57 VAL 3.08 -0.34 1 58 ILE -0.67 0.24 1 59 GLU -3.92 -0.06 1 61 HIS -4.02 0.36 1 62 SER -3.46 0.04 1 63 MET -2.15 0.72 1 64 VAL -3.93 0.66 1 65 ASP -1.60 0.17 1 66 GLU -1.13 -0.11 1 67 SER -2.66 -0.46 1 68 LEU 3.08 -0.32 1 69 ILE 0.47 -0.20 1 70 THR -1.59 -0.09 1 72 GLU 0.38 -0.31 1 73 ALA 1.37 -0.40 1 74 MET -0.14 -0.01 1 76 VAL -2.89 0.00 1 77 ALA 0.48 0.49 1 78 LYS -5.04 0.35 1 79 LYS -0.97 0.39 1 82 SER 0.85 0.02 1 83 THR -0.36 0.57 1 84 VAL -5.29 0.32 1 85 ILE -4.62 0.47 1 86 ALA 2.64 -0.59 1 88 SER -1.23 0.01 1 89 ILE -1.82 0.33 1 90 ASN -0.62 0.05 1 91 GLN 2.76 0.18 1 92 ASN 1.84 -0.01 1 94 SER 0.77 0.10 1 95 LEU -6.86 0.75 1 96 LEU -2.72 0.92 1 97 ILE -5.50 0.75 1 99 ALA 0.58 -0.13 1 100 THR 0.61 -0.11 1 101 HIS -2.56 -0.03 1 102 VAL -4.70 0.35 1 104 ALA 1.03 -0.21 1 105 ASP -0.76 -0.04 1 106 THR -1.25 -0.26 1 107 THR -0.49 0.55 1 108 LEU 3.17 -0.47 1 109 SER 3.63 -0.62 1 110 GLN 3.59 -0.42 1 111 ILE 4.73 -0.54 1 112 VAL 5.35 -0.78 1 113 LYS 3.12 -0.32 1 114 LEU 2.49 -0.35 1 115 VAL 4.39 -0.49 1 116 GLU 1.50 -0.46 1 117 GLU 0.71 -0.29 1 118 ALA 0.10 -0.07 1 119 GLN 1.15 -0.40 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr16277_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.86 _LACS_plot.Line_1_terminator_val_y_1 -2.02 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.06 _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 5.35 _LACS_plot.Line_2_terminator_val_y_2 0.66 _LACS_plot.Y_axis_chem_shift_offset 0.50 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 119 GLN 1.15 4.56 0 10 LEU 0.88 -0.45 1 11 GLN 1.04 -0.22 1 12 ALA -1.36 -1.47 1 13 THR 0.63 0.11 1 14 GLU -5.75 -2.88 1 15 ALA -6.84 -3.24 1 16 THR 0.95 -1.17 1 17 ILE -1.82 0.04 1 18 VAL -4.42 -1.93 1 19 THR -2.04 -1.60 1 20 LEU -5.10 -0.62 1 21 ASP -2.49 2.01 1 22 SER 3.74 -0.17 1 23 ASP -0.27 -1.74 1 24 ASN 4.63 -2.23 1 25 ILE 1.50 -0.42 1 26 LEU 2.47 -1.04 1 27 LEU -0.77 -0.62 1 28 SER -2.20 -3.27 1 29 GLU -4.43 -2.26 1 30 GLU -5.17 -3.16 1 31 GLN -1.36 -0.08 1 32 VAL -6.44 -1.93 1 33 ASP 0.48 1.59 1 34 VAL 4.12 0.14 1 35 GLU 3.09 0.22 1 36 LEU 0.33 0.27 1 37 VAL 3.29 -2.06 1 38 GLN -4.69 -0.55 1 39 ARG 4.06 0.85 1 41 ASP 1.10 -2.06 1 42 ILE 1.02 -1.68 1 43 ILE -6.11 -1.49 1 44 LYS -4.79 -1.39 1 45 VAL -1.53 -1.80 1 46 VAL 3.46 1.77 1 50 LYS -2.64 1.03 1 51 PHE 2.38 1.34 1 53 VAL -5.81 -3.10 1 54 ASP -0.92 0.98 1 56 ARG -5.49 -0.55 1 57 VAL 3.08 -3.38 1 58 ILE -0.67 -1.97 1 59 GLU -3.92 -3.33 1 61 HIS -4.02 0.72 1 62 SER -3.46 -1.35 1 63 MET -2.15 -1.32 1 64 VAL -3.93 -1.99 1 65 ASP -1.60 0.46 1 66 GLU -1.13 0.42 1 67 SER -2.66 2.35 1 68 LEU 3.08 -1.74 1 69 ILE 0.47 0.04 1 70 THR -1.59 1.63 1 72 GLU 0.38 -1.00 1 73 ALA 1.37 0.97 1 74 MET -0.14 -0.24 1 76 VAL -2.89 -0.63 1 77 ALA 0.48 -0.39 1 78 LYS -5.04 -2.35 1 79 LYS -0.97 -2.64 1 82 SER 0.85 -1.85 1 83 THR -0.36 -0.89 1 84 VAL -5.29 -1.20 1 85 ILE -4.62 -0.61 1 86 ALA 2.64 -1.14 1 88 SER -1.23 -1.92 1 89 ILE -1.82 -0.83 1 90 ASN -0.62 0.33 1 91 GLN 2.76 0.90 1 92 ASN 1.84 -0.57 1 94 SER 0.77 -0.62 1 95 LEU -6.86 -1.68 1 96 LEU -2.72 -0.84 1 97 ILE -5.50 -3.52 1 100 THR 0.61 -0.72 1 101 HIS -2.56 -1.07 1 102 VAL -4.70 -0.25 1 104 ALA 1.03 -1.10 1 105 ASP -0.76 2.41 1 106 THR -1.25 -3.27 1 107 THR -0.49 -1.76 1 108 LEU 3.17 -0.26 1 109 SER 3.63 1.98 1 110 GLN 3.59 2.12 1 111 ILE 4.73 0.97 1 112 VAL 5.35 0.53 1 113 LYS 3.12 1.20 1 114 LEU 2.49 1.62 1 115 VAL 4.39 1.65 1 116 GLU 1.50 1.52 1 117 GLU 0.71 -0.42 1 118 ALA 0.10 -1.23 1 stop_ save_