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 bmr16883_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -9.19 _LACS_plot.Line_1_terminator_val_y_1 -3.44 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.18 _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 5.49 _LACS_plot.Line_2_terminator_val_y_2 4.36 _LACS_plot.Y_axis_chem_shift_offset -0.35 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 63 GLU -9.19 -1.71 0 12 ASP -0.48 1.29 1 13 LEU 0.39 -0.44 1 14 ILE -2.77 -2.77 1 15 GLU -4.00 -1.90 1 16 ILE -1.57 -0.08 1 17 PHE 2.06 -0.65 1 18 ARG 4.44 1.80 1 20 PHE 0.37 0.43 1 21 TYR -1.28 -0.63 1 22 ARG -2.28 -2.18 1 23 HIS -5.69 0.01 1 24 TRP -6.23 -1.39 1 25 ALA -6.56 -2.19 1 26 ILE -6.60 -1.98 1 27 TYR 1.82 2.14 1 28 VAL -1.02 -1.40 1 30 ASP 2.70 1.77 1 32 TYR -1.28 1.92 1 33 VAL -6.92 -4.39 1 34 VAL -2.10 -0.75 1 35 HIS -6.04 0.00 1 36 LEU -2.61 -1.22 1 37 ALA -4.42 -0.93 1 40 SER 0.23 0.69 1 41 GLU -0.38 0.41 1 42 VAL 0.09 0.29 1 43 ALA 0.23 0.57 1 45 ALA 0.37 0.57 1 48 ALA 0.61 0.75 1 49 SER 0.42 0.69 1 50 VAL 0.90 0.89 1 51 MET 0.91 0.88 1 52 SER 0.48 0.77 1 53 ALA 0.08 0.55 1 54 LEU 0.47 0.68 1 55 THR -0.02 0.25 1 56 ASP 0.30 0.55 1 57 LYS -2.79 -0.29 1 58 ALA -4.98 -1.27 1 59 ILE -5.49 -2.45 1 60 VAL 2.70 0.87 1 61 LYS -5.24 -0.57 1 62 LYS -3.74 -1.17 1 64 LEU 1.47 0.47 1 65 LEU 4.74 3.37 1 66 TYR 3.09 2.99 1 67 ASP 2.81 2.70 1 68 VAL 3.71 3.61 1 69 ALA 3.26 2.91 1 71 SER 0.14 0.18 1 72 ASP 0.06 1.17 1 73 LYS -0.06 0.21 1 74 TYR -6.53 -2.61 1 75 GLN -4.08 -1.80 1 76 VAL 2.08 1.24 1 77 ASN -0.65 -0.57 1 78 ASN 2.38 -0.24 1 79 LYS 3.19 4.35 1 80 HIS -1.18 0.50 1 81 ASP 3.47 2.49 1 82 ASP 2.51 1.03 1 83 LYS -0.74 0.72 1 84 TYR -5.88 -3.43 1 85 SER -0.49 0.03 1 87 LEU 0.33 -0.98 1 90 SER 4.98 3.31 1 91 LYS 2.55 2.13 1 92 ILE 5.31 5.40 1 93 ILE 5.15 3.98 1 94 GLN 4.41 3.83 1 95 ARG 3.66 2.81 1 96 ALA 3.86 3.38 1 97 GLU 3.61 3.08 1 98 GLU 2.06 2.26 1 99 LEU -1.69 0.51 1 100 VAL 5.49 4.36 1 102 GLN 0.64 0.59 1 103 GLU -3.10 -1.34 1 104 VAL -3.68 -2.19 1 105 LEU 1.38 -0.55 1 106 TYR -3.51 -2.12 1 107 LYS -1.18 -0.06 1 108 LEU 2.63 1.06 1 109 THR -5.93 -2.63 1 110 SER 5.19 4.89 1 111 GLU 4.29 3.70 1 112 ASN 3.78 2.53 1 114 GLU 3.37 3.01 1 115 HIS 4.11 5.34 1 116 PHE 3.66 4.08 1 117 VAL 4.96 2.88 1 118 ASN 3.89 3.95 1 119 GLU 4.21 3.47 1 120 LEU 2.48 2.66 1 121 ARG 2.90 3.03 1 122 TYR -1.49 0.08 1 124 VAL -1.88 -0.88 1 125 ALA -0.14 1.42 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr16883_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -9.19 _LACS_plot.Line_1_terminator_val_y_1 5.75 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.82 _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 5.49 _LACS_plot.Line_2_terminator_val_y_2 -1.13 _LACS_plot.Y_axis_chem_shift_offset -0.35 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 63 GLU -9.19 7.48 0 12 ASP -0.48 1.77 1 13 LEU 0.39 -0.83 1 14 ILE -2.77 0.00 1 15 GLU -4.00 2.10 1 16 ILE -1.57 1.49 1 17 PHE 2.06 -2.71 1 18 ARG 4.44 -2.64 1 20 PHE 0.37 0.06 1 21 TYR -1.28 0.65 1 22 ARG -2.28 0.10 1 23 HIS -5.69 5.70 1 24 TRP -6.23 4.84 1 25 ALA -6.56 4.37 1 26 ILE -6.60 4.62 1 27 TYR 1.82 0.32 1 28 VAL -1.02 -0.38 1 30 ASP 2.70 -0.93 1 32 TYR -1.28 3.20 1 33 VAL -6.92 2.53 1 34 VAL -2.10 1.35 1 35 HIS -6.04 6.04 1 36 LEU -2.61 1.39 1 37 ALA -4.42 3.49 1 40 SER 0.23 0.46 1 41 GLU -0.38 0.79 1 42 VAL 0.09 0.20 1 43 ALA 0.23 0.34 1 45 ALA 0.37 0.20 1 48 ALA 0.61 0.14 1 49 SER 0.42 0.27 1 50 VAL 0.90 -0.01 1 51 MET 0.91 -0.03 1 52 SER 0.48 0.29 1 53 ALA 0.08 0.47 1 54 LEU 0.47 0.21 1 55 THR -0.02 0.27 1 56 ASP 0.30 0.25 1 57 LYS -2.79 2.50 1 58 ALA -4.98 3.71 1 59 ILE -5.49 3.04 1 60 VAL 2.70 -1.83 1 61 LYS -5.24 4.67 1 62 LYS -3.74 2.57 1 64 LEU 1.47 -1.00 1 65 LEU 4.74 -1.37 1 66 TYR 3.09 -0.10 1 67 ASP 2.81 -0.11 1 68 VAL 3.71 -0.10 1 69 ALA 3.26 -0.35 1 71 SER 0.14 0.04 1 72 ASP 0.06 1.11 1 73 LYS -0.06 0.27 1 74 TYR -6.53 3.92 1 75 GLN -4.08 2.28 1 76 VAL 2.08 -0.84 1 77 ASN -0.65 0.08 1 78 ASN 2.38 -2.62 1 79 LYS 3.19 1.16 1 80 HIS -1.18 1.68 1 81 ASP 3.47 -0.98 1 82 ASP 2.51 -1.48 1 83 LYS -0.74 1.46 1 84 TYR -5.88 2.45 1 85 SER -0.49 0.52 1 87 LEU 0.33 -1.31 1 90 SER 4.98 -1.67 1 91 LYS 2.55 -0.42 1 92 ILE 5.31 0.09 1 93 ILE 5.15 -1.17 1 94 GLN 4.41 -0.58 1 95 ARG 3.66 -0.85 1 96 ALA 3.86 -0.48 1 97 GLU 3.61 -0.53 1 98 GLU 2.06 0.20 1 99 LEU -1.69 2.20 1 100 VAL 5.49 -1.13 1 102 GLN 0.64 -0.05 1 103 GLU -3.10 1.76 1 104 VAL -3.68 1.49 1 105 LEU 1.38 -1.93 1 106 TYR -3.51 1.39 1 107 LYS -1.18 1.12 1 108 LEU 2.63 -1.57 1 109 THR -5.93 3.30 1 110 SER 5.19 -0.30 1 111 GLU 4.29 -0.59 1 112 ASN 3.78 -1.25 1 114 GLU 3.37 -0.36 1 115 HIS 4.11 1.23 1 116 PHE 3.66 0.42 1 117 VAL 4.96 -2.08 1 118 ASN 3.89 0.06 1 119 GLU 4.21 -0.74 1 120 LEU 2.48 0.18 1 121 ARG 2.90 0.13 1 122 TYR -1.49 1.57 1 124 VAL -1.88 1.00 1 125 ALA -0.14 1.56 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr16883_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -9.19 _LACS_plot.Line_1_terminator_val_y_1 0.95 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.20 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.18 _LACS_plot.Line_2_terminator_val_x_2 5.49 _LACS_plot.Line_2_terminator_val_y_2 -0.54 _LACS_plot.Y_axis_chem_shift_offset 0.01 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 15 GLU -4.00 -0.95 0 12 ASP -0.48 0.28 1 13 LEU 0.39 0.48 1 14 ILE -2.77 0.37 1 16 ILE -1.57 0.21 1 17 PHE 2.06 -0.23 1 18 ARG 4.44 -0.28 1 20 PHE 0.37 0.15 1 21 TYR -1.28 0.23 1 22 ARG -2.28 0.39 1 23 HIS -5.69 0.66 1 24 TRP -6.23 0.95 1 25 ALA -6.56 0.67 1 26 ILE -6.60 1.34 1 27 TYR 1.82 0.15 1 28 VAL -1.02 0.53 1 30 ASP 2.70 -0.25 1 32 TYR -1.28 0.17 1 33 VAL -6.92 1.29 1 34 VAL -2.10 1.42 1 35 HIS -6.04 0.36 1 36 LEU -2.61 0.25 1 37 ALA -4.42 0.11 1 40 SER 0.23 -0.11 1 41 GLU -0.38 -0.05 1 42 VAL 0.09 -0.03 1 43 ALA 0.23 -0.03 1 45 ALA 0.37 -0.03 1 48 ALA 0.61 -0.03 1 49 SER 0.42 -0.08 1 50 VAL 0.90 -0.01 1 51 MET 0.91 -0.04 1 52 SER 0.48 -0.11 1 53 ALA 0.08 0.00 1 54 LEU 0.47 -0.01 1 55 THR -0.02 -0.01 1 56 ASP 0.30 -0.06 1 57 LYS -2.79 0.31 1 58 ALA -4.98 0.25 1 59 ILE -5.49 0.74 1 60 VAL 2.70 0.00 1 61 LYS -5.24 0.50 1 62 LYS -3.74 1.42 1 63 GLU -9.19 0.56 1 64 LEU 1.47 -0.39 1 65 LEU 4.74 -0.76 1 66 TYR 3.09 -0.43 1 67 ASP 2.81 -0.21 1 68 VAL 3.71 -0.65 1 69 ALA 3.26 -0.54 1 71 SER 0.14 0.00 1 72 ASP 0.06 0.05 1 73 LYS -0.06 -0.20 1 74 TYR -6.53 1.15 1 75 GLN -4.08 0.30 1 76 VAL 2.08 0.47 1 77 ASN -0.65 0.01 1 78 ASN 2.38 0.46 1 79 LYS 3.19 -0.57 1 80 HIS -1.18 0.37 1 81 ASP 3.47 0.41 1 82 ASP 2.51 -0.30 1 83 LYS -0.74 -0.12 1 84 TYR -5.88 0.36 1 85 SER -0.49 0.19 1 87 LEU 0.33 0.01 1 90 SER 4.98 -0.42 1 91 LYS 2.55 -0.12 1 92 ILE 5.31 -0.75 1 93 ILE 5.15 -0.66 1 94 GLN 4.41 -0.36 1 95 ARG 3.66 -0.34 1 96 ALA 3.86 -0.50 1 97 GLU 3.61 -0.44 1 98 GLU 2.06 -0.29 1 99 LEU -1.69 -0.13 1 100 VAL 5.49 -0.95 1 102 GLN 0.64 -0.03 1 103 GLU -3.10 0.65 1 104 VAL -3.68 0.33 1 105 LEU 1.38 0.10 1 106 TYR -3.51 0.04 1 107 LYS -1.18 -0.11 1 108 LEU 2.63 -0.13 1 109 THR -5.93 0.27 1 110 SER 5.19 0.28 1 111 GLU 4.29 -0.26 1 112 ASN 3.78 -0.21 1 114 GLU 3.37 -1.18 1 115 HIS 4.11 -0.55 1 116 PHE 3.66 -0.37 1 117 VAL 4.96 -0.33 1 118 ASN 3.89 -0.30 1 119 GLU 4.21 -0.69 1 120 LEU 2.48 -0.48 1 121 ARG 2.90 -0.47 1 122 TYR -1.49 0.12 1 124 VAL -1.88 -0.08 1 125 ALA -0.14 -0.29 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr16883_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -9.19 _LACS_plot.Line_1_terminator_val_y_1 -3.28 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.68 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.80 _LACS_plot.Line_2_terminator_val_x_2 5.49 _LACS_plot.Line_2_terminator_val_y_2 2.00 _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 125 ALA -0.14 4.83 0 12 ASP -0.48 0.08 1 14 ILE -2.77 -3.47 1 15 GLU -4.00 -1.69 1 16 ILE -1.57 -0.59 1 17 PHE 2.06 0.30 1 18 ARG 4.44 0.45 1 20 PHE 0.37 -0.29 1 21 TYR -1.28 -3.62 1 22 ARG -2.28 -0.42 1 23 HIS -5.69 -1.28 1 24 TRP -6.23 -2.06 1 25 ALA -6.56 -3.51 1 26 ILE -6.60 -2.30 1 27 TYR 1.82 0.83 1 28 VAL -1.02 -1.58 1 30 ASP 2.70 -1.86 1 32 TYR -1.28 -0.87 1 33 VAL -6.92 -1.69 1 34 VAL -2.10 -1.27 1 35 HIS -6.04 -2.46 1 36 LEU -2.61 -2.67 1 37 ALA -4.42 -0.48 1 40 SER 0.23 -0.06 1 41 GLU -0.38 -0.10 1 42 VAL 0.09 -0.17 1 43 ALA 0.23 0.63 1 45 ALA 0.37 0.65 1 48 ALA 0.61 0.39 1 49 SER 0.42 0.44 1 50 VAL 0.90 0.32 1 51 MET 0.91 0.44 1 52 SER 0.48 -0.15 1 53 ALA 0.08 0.07 1 54 LEU 0.47 0.03 1 55 THR -0.02 -0.46 1 56 ASP 0.30 -1.82 1 58 ALA -4.98 -3.01 1 59 ILE -5.49 -1.83 1 60 VAL 2.70 0.79 1 61 LYS -5.24 -2.45 1 62 LYS -3.74 -0.40 1 63 GLU -9.19 -1.81 1 64 LEU 1.47 1.03 1 65 LEU 4.74 -0.42 1 66 TYR 3.09 2.72 1 67 ASP 2.81 1.43 1 68 VAL 3.71 2.14 1 69 ALA 3.26 0.70 1 71 SER 0.14 -0.18 1 72 ASP 0.06 -0.78 1 73 LYS -0.06 -1.79 1 74 TYR -6.53 -2.24 1 75 GLN -4.08 -1.60 1 76 VAL 2.08 0.93 1 77 ASN -0.65 -0.76 1 78 ASN 2.38 3.17 1 79 LYS 3.19 0.42 1 80 HIS -1.18 2.07 1 81 ASP 3.47 -0.27 1 82 ASP 2.51 0.15 1 83 LYS -0.74 -1.28 1 84 TYR -5.88 -1.25 1 85 SER -0.49 0.37 1 90 SER 4.98 2.46 1 91 LYS 2.55 2.28 1 92 ILE 5.31 1.22 1 94 GLN 4.41 2.78 1 95 ARG 3.66 1.73 1 96 ALA 3.86 1.08 1 97 GLU 3.61 3.98 1 98 GLU 2.06 1.45 1 99 LEU -1.69 -0.78 1 100 VAL 5.49 1.48 1 102 GLN 0.64 -0.96 1 103 GLU -3.10 0.70 1 104 VAL -3.68 -0.23 1 105 LEU 1.38 -2.91 1 106 TYR -3.51 -1.74 1 107 LYS -1.18 0.74 1 108 LEU 2.63 -2.25 1 110 SER 5.19 2.62 1 111 GLU 4.29 2.61 1 112 ASN 3.78 3.37 1 114 GLU 3.37 1.46 1 115 HIS 4.11 3.09 1 116 PHE 3.66 1.54 1 117 VAL 4.96 1.69 1 119 GLU 4.21 3.67 1 120 LEU 2.48 -0.90 1 121 ARG 2.90 -0.99 1 122 TYR -1.49 1.55 1 124 VAL -1.88 -2.59 1 stop_ save_