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 bmr17275_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.30 _LACS_plot.Line_1_terminator_val_y_1 -3.20 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.19 _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 9.74 _LACS_plot.Line_2_terminator_val_y_2 7.28 _LACS_plot.Y_axis_chem_shift_offset -0.32 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 81 GLU -0.53 -3.42 0 10 LYS -4.18 -1.60 1 11 VAL 1.17 0.01 1 12 ILE -2.10 -0.40 1 13 HIS 0.11 2.14 1 14 LEU -4.97 -0.95 1 15 THR -4.98 -2.32 1 16 LYS 7.23 5.72 1 17 ALA 3.99 3.20 1 18 GLU 0.07 1.92 1 19 PHE 3.16 4.13 1 20 LEU 2.84 2.30 1 21 ALA 0.22 1.03 1 22 LYS -0.91 0.41 1 23 VAL 2.56 1.69 1 24 TYR -4.61 -2.38 1 25 ASN 0.51 -2.39 1 26 PHE 1.70 -1.00 1 27 GLU 2.58 1.79 1 28 LYS -0.26 0.94 1 29 ASN -1.14 0.19 1 31 GLU 0.73 1.04 1 32 GLU -4.53 -1.61 1 33 TRP 1.28 0.83 1 34 LYS -1.71 -0.48 1 35 TYR -2.68 -2.39 1 36 GLU -1.40 -0.84 1 38 ASP -1.44 -0.60 1 39 LYS -0.94 -0.05 1 41 ALA -8.30 -2.35 1 42 ILE -4.92 -1.43 1 43 VAL -2.08 -1.32 1 44 ASP -0.90 -1.82 1 45 PHE 1.58 0.39 1 46 TYR -7.83 -2.61 1 47 ALA -3.41 0.03 1 48 ASP 2.68 3.06 1 49 TRP -1.75 -2.13 1 54 LYS 3.81 2.68 1 55 MET 2.58 2.30 1 56 VAL 1.63 1.65 1 57 ALA 9.74 7.11 1 59 ILE 4.54 3.64 1 60 LEU 4.84 2.74 1 61 ASP 4.42 3.73 1 62 GLU 3.35 3.00 1 63 LEU 2.71 2.57 1 64 ALA 3.17 1.98 1 65 LYS 2.68 2.40 1 66 GLU 2.65 2.80 1 67 TYR 0.85 0.12 1 68 ASP 2.10 2.83 1 70 GLN -1.36 1.68 1 71 ILE -5.86 -2.93 1 72 VAL -4.04 -2.23 1 73 ILE -0.22 -0.55 1 74 TYR -7.52 -2.88 1 75 LYS -4.52 -1.78 1 76 VAL -3.88 -1.13 1 77 ASP -0.93 -1.87 1 78 THR 4.55 3.19 1 79 GLU 1.23 1.41 1 80 LYS -0.88 0.75 1 82 GLN 4.75 3.83 1 83 GLU 3.69 3.03 1 84 LEU 2.91 2.87 1 85 ALA 3.86 2.75 1 87 ALA 3.77 1.77 1 88 PHE -0.30 0.25 1 90 ILE 2.83 -0.23 1 91 ARG -1.43 -0.22 1 92 SER -1.51 -0.74 1 93 ILE -3.18 -1.14 1 95 SER -1.64 1.73 1 96 ILE -2.90 -1.91 1 97 LEU -5.47 -1.53 1 98 PHE -0.71 0.21 1 99 ILE -1.59 0.06 1 101 MET 3.28 0.64 1 102 GLU -3.81 -1.24 1 104 LYS 0.72 0.26 1 106 GLU -5.15 -1.68 1 107 MET -3.97 -1.47 1 108 ALA -4.65 -1.73 1 109 GLN -2.17 -0.35 1 111 ALA -0.15 -0.20 1 112 MET -1.98 0.10 1 114 LYS 6.18 5.53 1 115 ALA 3.66 3.10 1 116 SER 4.60 3.50 1 117 PHE 4.25 5.56 1 118 LYS 5.71 4.32 1 119 LYS 3.87 3.58 1 120 ALA 3.13 2.27 1 121 ILE 5.07 4.91 1 122 ASP 4.48 3.86 1 123 GLU 0.96 1.30 1 124 PHE 1.00 1.49 1 125 LEU 4.45 2.67 1 126 LEU 0.01 -0.82 1 127 LYS 2.92 0.29 1 128 LYS 0.80 0.57 1 129 GLU -0.63 -0.03 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17275_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.30 _LACS_plot.Line_1_terminator_val_y_1 5.10 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.81 _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 9.74 _LACS_plot.Line_2_terminator_val_y_2 -2.46 _LACS_plot.Y_axis_chem_shift_offset -0.32 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 81 GLU -0.53 -2.89 0 10 LYS -4.18 2.58 1 11 VAL 1.17 -1.16 1 12 ILE -2.10 1.70 1 13 HIS 0.11 2.03 1 14 LEU -4.97 4.02 1 15 THR -4.98 2.66 1 16 LYS 7.23 -1.51 1 17 ALA 3.99 -0.79 1 18 GLU 0.07 1.85 1 19 PHE 3.16 0.97 1 20 LEU 2.84 -0.54 1 21 ALA 0.22 0.81 1 22 LYS -0.91 1.32 1 23 VAL 2.56 -0.87 1 24 TYR -4.61 2.23 1 25 ASN 0.51 -2.90 1 26 PHE 1.70 -2.70 1 27 GLU 2.58 -0.79 1 28 LYS -0.26 1.20 1 29 ASN -1.14 1.33 1 31 GLU 0.73 0.31 1 32 GLU -4.53 2.92 1 33 TRP 1.28 -0.45 1 34 LYS -1.71 1.23 1 35 TYR -2.68 0.29 1 36 GLU -1.40 0.56 1 38 ASP -1.44 0.84 1 39 LYS -0.94 0.89 1 41 ALA -8.30 5.95 1 42 ILE -4.92 3.49 1 43 VAL -2.08 0.76 1 44 ASP -0.90 -0.92 1 45 PHE 1.58 -1.19 1 46 TYR -7.83 5.22 1 47 ALA -3.41 3.44 1 48 ASP 2.68 0.38 1 49 TRP -1.75 -0.38 1 54 LYS 3.81 -1.13 1 55 MET 2.58 -0.28 1 56 VAL 1.63 0.02 1 57 ALA 9.74 -2.63 1 59 ILE 4.54 -0.90 1 60 LEU 4.84 -2.10 1 61 ASP 4.42 -0.69 1 62 GLU 3.35 -0.35 1 63 LEU 2.71 -0.14 1 64 ALA 3.17 -1.19 1 65 LYS 2.68 -0.28 1 66 GLU 2.65 0.15 1 67 TYR 0.85 -0.73 1 68 ASP 2.10 0.73 1 70 GLN -1.36 3.04 1 71 ILE -5.86 2.93 1 72 VAL -4.04 1.81 1 73 ILE -0.22 -0.33 1 74 TYR -7.52 4.64 1 75 LYS -4.52 2.74 1 76 VAL -3.88 2.75 1 77 ASP -0.93 -0.94 1 78 THR 4.55 -1.36 1 79 GLU 1.23 0.18 1 80 LYS -0.88 1.63 1 82 GLN 4.75 -0.92 1 83 GLU 3.69 -0.66 1 84 LEU 2.91 -0.04 1 85 ALA 3.86 -1.11 1 87 ALA 3.77 -2.00 1 88 PHE -0.30 0.55 1 90 ILE 2.83 -3.06 1 91 ARG -1.43 1.21 1 92 SER -1.51 0.77 1 93 ILE -3.18 2.04 1 95 SER -1.64 3.37 1 96 ILE -2.90 0.99 1 97 LEU -5.47 3.94 1 98 PHE -0.71 0.92 1 99 ILE -1.59 1.65 1 101 MET 3.28 -2.64 1 102 GLU -3.81 2.57 1 104 LYS 0.72 -0.46 1 106 GLU -5.15 3.47 1 107 MET -3.97 2.50 1 108 ALA -4.65 2.92 1 109 GLN -2.17 1.82 1 111 ALA -0.15 -0.05 1 112 MET -1.98 2.08 1 114 LYS 6.18 -0.65 1 115 ALA 3.66 -0.56 1 116 SER 4.60 -1.10 1 117 PHE 4.25 1.31 1 118 LYS 5.71 -1.39 1 119 LYS 3.87 -0.29 1 120 ALA 3.13 -0.86 1 121 ILE 5.07 -0.16 1 122 ASP 4.48 -0.62 1 123 GLU 0.96 0.34 1 124 PHE 1.00 0.49 1 125 LEU 4.45 -1.78 1 126 LEU 0.01 -0.83 1 127 LYS 2.92 -2.63 1 128 LYS 0.80 -0.23 1 129 GLU -0.63 0.60 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17275_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -8.30 _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 -0.15 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.25 _LACS_plot.Line_2_terminator_val_x_2 9.74 _LACS_plot.Line_2_terminator_val_y_2 -0.87 _LACS_plot.Y_axis_chem_shift_offset -0.06 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 74 TYR -7.52 1.56 0 41 ALA -8.30 1.70 0 77 ASP -0.93 -0.93 0 10 LYS -4.18 0.22 1 11 VAL 1.17 0.09 1 12 ILE -2.10 0.19 1 13 HIS 0.11 0.32 1 14 LEU -4.97 0.75 1 15 THR -4.98 0.40 1 16 LYS 7.23 -0.36 1 17 ALA 3.99 -0.31 1 18 GLU 0.07 -0.15 1 19 PHE 3.16 -0.91 1 20 LEU 2.84 -0.21 1 21 ALA 0.22 -0.16 1 22 LYS -0.91 -0.10 1 23 VAL 2.56 0.13 1 24 TYR -4.61 0.49 1 25 ASN 0.51 -0.08 1 26 PHE 1.70 -0.95 1 27 GLU 2.58 -0.22 1 28 LYS -0.26 -0.19 1 29 ASN -1.14 0.40 1 31 GLU 0.73 -0.02 1 32 GLU -4.53 0.26 1 33 TRP 1.28 -0.97 1 34 LYS -1.71 -0.14 1 35 TYR -2.68 0.49 1 36 GLU -1.40 -0.24 1 38 ASP -1.44 0.10 1 39 LYS -0.94 0.39 1 42 ILE -4.92 0.79 1 43 VAL -2.08 0.52 1 44 ASP -0.90 0.39 1 45 PHE 1.58 0.70 1 46 TYR -7.83 0.78 1 47 ALA -3.41 -0.05 1 48 ASP 2.68 -0.18 1 49 TRP -1.75 -0.13 1 54 LYS 3.81 -0.19 1 55 MET 2.58 -0.14 1 56 VAL 1.63 0.01 1 57 ALA 9.74 -0.71 1 59 ILE 4.54 -0.48 1 60 LEU 4.84 -0.66 1 61 ASP 4.42 -0.35 1 62 GLU 3.35 -0.28 1 63 LEU 2.71 -0.15 1 64 ALA 3.17 -0.45 1 65 LYS 2.68 -0.12 1 66 GLU 2.65 -0.48 1 67 TYR 0.85 0.04 1 68 ASP 2.10 -0.11 1 70 GLN -1.36 0.27 1 71 ILE -5.86 0.90 1 72 VAL -4.04 0.34 1 73 ILE -0.22 0.47 1 75 LYS -4.52 0.92 1 76 VAL -3.88 0.21 1 78 THR 4.55 -0.66 1 79 GLU 1.23 -0.01 1 80 LYS -0.88 0.15 1 81 GLU -0.53 0.62 1 82 GLN 4.75 -0.28 1 83 GLU 3.69 -0.21 1 84 LEU 2.91 -0.33 1 85 ALA 3.86 -0.45 1 87 ALA 3.77 -0.47 1 88 PHE -0.30 -0.33 1 90 ILE 2.83 -0.44 1 91 ARG -1.43 0.16 1 92 SER -1.51 0.21 1 93 ILE -3.18 0.24 1 95 SER -1.64 0.87 1 96 ILE -2.90 0.98 1 97 LEU -5.47 0.80 1 98 PHE -0.71 0.26 1 99 ILE -1.59 -0.06 1 101 MET 3.28 0.11 1 102 GLU -3.81 0.32 1 104 LYS 0.72 -0.53 1 106 GLU -5.15 0.24 1 107 MET -3.97 1.01 1 108 ALA -4.65 0.49 1 109 GLN -2.17 0.63 1 111 ALA -0.15 -0.25 1 112 MET -1.98 0.07 1 114 LYS 6.18 -0.24 1 115 ALA 3.66 -0.14 1 116 SER 4.60 -0.12 1 117 PHE 4.25 -0.47 1 118 LYS 5.71 -0.45 1 119 LYS 3.87 -0.23 1 120 ALA 3.13 -0.31 1 121 ILE 5.07 -0.77 1 122 ASP 4.48 -0.29 1 123 GLU 0.96 -0.01 1 124 PHE 1.00 0.22 1 125 LEU 4.45 -0.32 1 126 LEU 0.01 0.21 1 127 LYS 2.92 -0.19 1 128 LYS 0.80 -0.04 1 129 GLU -0.63 -0.02 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17275_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -8.30 _LACS_plot.Line_1_terminator_val_y_1 -3.12 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.73 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.84 _LACS_plot.Line_2_terminator_val_x_2 9.74 _LACS_plot.Line_2_terminator_val_y_2 3.48 _LACS_plot.Y_axis_chem_shift_offset 0.06 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 57 ALA 9.74 0.30 0 10 LYS -4.18 -0.89 1 11 VAL 1.17 -0.08 1 12 ILE -2.10 -0.10 1 13 HIS 0.11 1.52 1 14 LEU -4.97 -0.81 1 15 THR -4.98 1.83 1 16 LYS 7.23 0.74 1 17 ALA 3.99 3.67 1 18 GLU 0.07 1.48 1 19 PHE 3.16 2.51 1 20 LEU 2.84 -0.41 1 21 ALA 0.22 1.73 1 22 LYS -0.91 0.13 1 23 VAL 2.56 -3.08 1 24 TYR -4.61 -3.06 1 25 ASN 0.51 -0.53 1 26 PHE 1.70 -0.29 1 27 GLU 2.58 1.27 1 28 LYS -0.26 -0.32 1 31 GLU 0.73 -0.37 1 32 GLU -4.53 -2.63 1 33 TRP 1.28 -0.61 1 34 LYS -1.71 -2.60 1 35 TYR -2.68 1.85 1 36 GLU -1.40 0.56 1 38 ASP -1.44 -0.71 1 39 LYS -0.94 -2.50 1 41 ALA -8.30 -1.76 1 42 ILE -4.92 -0.99 1 43 VAL -2.08 -2.52 1 44 ASP -0.90 -1.78 1 45 PHE 1.58 -1.95 1 46 TYR -7.83 -3.00 1 47 ALA -3.41 0.82 1 48 ASP 2.68 0.21 1 49 TRP -1.75 0.15 1 54 LYS 3.81 2.27 1 55 MET 2.58 2.04 1 56 VAL 1.63 0.59 1 59 ILE 4.54 1.94 1 60 LEU 4.84 0.69 1 61 ASP 4.42 3.19 1 62 GLU 3.35 3.46 1 63 LEU 2.71 0.75 1 64 ALA 3.17 1.83 1 65 LYS 2.68 2.83 1 66 GLU 2.65 1.56 1 67 TYR 0.85 -0.99 1 68 ASP 2.10 1.32 1 70 GLN -1.36 -0.02 1 71 ILE -5.86 -2.11 1 72 VAL -4.04 -3.64 1 73 ILE -0.22 -2.99 1 74 TYR -7.52 -0.13 1 75 LYS -4.52 -2.42 1 76 VAL -3.88 -3.35 1 77 ASP -0.93 1.34 1 78 THR 4.55 0.73 1 79 GLU 1.23 1.51 1 80 LYS -0.88 1.29 1 81 GLU -0.53 0.19 1 82 GLN 4.75 4.03 1 83 GLU 3.69 3.14 1 84 LEU 2.91 -0.18 1 85 ALA 3.86 2.48 1 87 ALA 3.77 0.67 1 88 PHE -0.30 -0.56 1 90 ILE 2.83 0.25 1 91 ARG -1.43 -0.75 1 92 SER -1.51 -2.56 1 93 ILE -3.18 -1.60 1 95 SER -1.64 -2.96 1 96 ILE -2.90 -2.77 1 97 LEU -5.47 -2.33 1 98 PHE -0.71 -1.12 1 99 ILE -1.59 -2.74 1 101 MET 3.28 1.12 1 102 GLU -3.81 -1.19 1 104 LYS 0.72 -0.27 1 106 GLU -5.15 -2.16 1 107 MET -3.97 -1.09 1 108 ALA -4.65 -1.54 1 109 GLN -2.17 0.16 1 111 ALA -0.15 -1.33 1 112 MET -1.98 -1.83 1 114 LYS 6.18 1.86 1 115 ALA 3.66 3.17 1 116 SER 4.60 2.82 1 117 PHE 4.25 2.16 1 118 LYS 5.71 0.27 1 119 LYS 3.87 1.22 1 120 ALA 3.13 2.99 1 121 ILE 5.07 0.60 1 122 ASP 4.48 1.44 1 123 GLU 0.96 0.83 1 124 PHE 1.00 0.22 1 125 LEU 4.45 0.69 1 126 LEU 0.01 -0.41 1 127 LYS 2.92 -0.09 1 128 LYS 0.80 0.42 1 129 GLU -0.63 0.46 1 stop_ save_