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 bmr17534_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.38 _LACS_plot.Line_1_terminator_val_y_1 -3.11 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.04 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.22 _LACS_plot.Line_2_terminator_val_x_2 5.43 _LACS_plot.Line_2_terminator_val_y_2 3.93 _LACS_plot.Y_axis_chem_shift_offset -0.16 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 26 LYS 1.41 -2.41 0 10 ASN 0.11 0.43 1 11 GLU 0.29 0.45 1 12 ASN -0.28 0.13 1 13 ASP -0.14 0.08 1 14 THR -0.41 -0.50 1 15 SER -0.19 0.02 1 16 GLU -1.50 -0.82 1 17 THR -5.56 -2.58 1 18 MET 4.34 1.09 1 19 GLU 5.05 4.67 1 20 SER 4.39 3.29 1 21 LEU 4.38 3.21 1 22 ILE 5.43 3.82 1 23 ASP 4.88 3.18 1 24 LYS -0.05 0.40 1 27 LEU 2.51 0.71 1 28 ASP -0.26 -1.76 1 29 GLN -4.81 -1.41 1 30 VAL -6.55 -3.16 1 31 VAL -3.20 -2.27 1 32 TYR -1.83 -0.32 1 33 ASP 2.63 0.55 1 34 ASP 3.18 2.02 1 35 GLN -4.41 -1.37 1 36 LEU -2.93 -0.79 1 37 TYR -5.21 -1.26 1 38 HIS -4.91 -1.62 1 39 LEU 2.14 1.14 1 40 LYS -0.50 -1.55 1 41 GLU -1.34 -0.85 1 42 LYS -0.06 0.11 1 43 VAL -5.94 -3.47 1 44 ASP -1.28 -0.26 1 45 GLU 2.66 2.45 1 46 ASP 1.76 0.43 1 47 LYS 0.07 -1.45 1 48 LYS -0.88 -0.33 1 50 LYS -1.71 -0.82 1 51 VAL 2.15 1.43 1 52 ILE -1.11 0.14 1 54 ALA -2.11 0.33 1 55 ILE 3.09 3.14 1 57 GLN -6.88 -0.60 1 58 THR -1.72 -0.38 1 59 PHE -6.48 -2.15 1 60 PHE -3.95 -1.20 1 61 VAL -7.38 -3.76 1 62 ASP -4.99 -2.69 1 64 ASP -1.18 -0.29 1 66 LYS 0.12 -0.57 1 67 ARG -0.95 0.39 1 68 TRP 1.28 0.77 1 69 SER -3.40 -1.49 1 70 GLU 3.85 3.38 1 71 GLU 3.78 3.26 1 72 GLU 2.23 1.88 1 73 LEU 1.35 1.31 1 74 LYS 0.83 1.02 1 75 GLU -0.54 0.14 1 77 TYR 0.14 0.13 1 78 ILE -0.97 -0.70 1 79 SER -0.72 -0.58 1 80 ASN 0.65 0.47 1 81 ASN -1.04 -0.64 1 83 ASP 0.69 0.64 1 84 GLU -1.68 -0.90 1 85 ILE -0.51 -0.01 1 86 ARG -0.57 0.29 1 87 GLU -0.82 0.93 1 88 LYS -1.22 -0.42 1 89 LYS -0.23 -0.59 1 91 LEU -1.60 -0.85 1 92 ARG -1.00 -0.87 1 93 TYR -1.22 0.07 1 95 LYS -0.82 1.13 1 96 VAL -2.86 -1.21 1 97 TYR -5.26 -2.03 1 98 SER -2.26 -1.06 1 99 THR 0.40 -0.03 1 100 ASN 0.20 0.31 1 101 GLU 1.19 1.16 1 102 ASP 0.14 0.09 1 103 SER -0.72 -0.14 1 104 ASP -0.32 -0.02 1 105 ALA -0.08 0.25 1 106 LYS -0.19 -0.46 1 107 ASP 2.12 1.72 1 108 GLU -4.88 -1.55 1 109 ILE -4.73 -1.18 1 110 ILE -3.02 -2.50 1 111 VAL -4.53 -1.49 1 112 GLU -3.11 -1.51 1 113 PHE -3.61 -2.87 1 114 ASN 3.59 0.78 1 115 ARG 5.07 1.67 1 116 GLU -5.64 -2.20 1 117 TYR -1.07 -0.13 1 118 TYR -4.90 -1.45 1 119 ARG -0.03 0.45 1 120 ALA -5.48 -2.27 1 121 VAL -4.95 -2.70 1 122 LEU -0.09 0.82 1 123 ILE 2.29 1.27 1 124 LYS 0.04 0.10 1 125 ASN -0.12 -0.08 1 126 GLU -0.41 0.08 1 127 LYS -0.13 -0.07 1 128 GLU 0.32 1.56 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17534_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.38 _LACS_plot.Line_1_terminator_val_y_1 4.27 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.96 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.78 _LACS_plot.Line_2_terminator_val_x_2 5.43 _LACS_plot.Line_2_terminator_val_y_2 -1.50 _LACS_plot.Y_axis_chem_shift_offset -0.16 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 26 LYS 1.41 -3.82 0 10 ASN 0.11 0.32 1 11 GLU 0.29 0.16 1 12 ASN -0.28 0.41 1 13 ASP -0.14 0.22 1 14 THR -0.41 -0.09 1 15 SER -0.19 0.21 1 16 GLU -1.50 0.68 1 17 THR -5.56 2.98 1 18 MET 4.34 -3.25 1 19 GLU 5.05 -0.38 1 20 SER 4.39 -1.10 1 21 LEU 4.38 -1.17 1 22 ILE 5.43 -1.61 1 23 ASP 4.88 -1.70 1 24 LYS -0.05 0.45 1 27 LEU 2.51 -1.80 1 28 ASP -0.26 -1.50 1 29 GLN -4.81 3.40 1 30 VAL -6.55 3.39 1 31 VAL -3.20 0.93 1 32 TYR -1.83 1.51 1 33 ASP 2.63 -2.08 1 34 ASP 3.18 -1.16 1 35 GLN -4.41 3.04 1 36 LEU -2.93 2.14 1 37 TYR -5.21 3.95 1 38 HIS -4.91 3.29 1 39 LEU 2.14 -1.00 1 40 LYS -0.50 -1.05 1 41 GLU -1.34 0.49 1 42 LYS -0.06 0.17 1 43 VAL -5.94 2.47 1 44 ASP -1.28 1.02 1 45 GLU 2.66 -0.21 1 46 ASP 1.76 -1.33 1 47 LYS 0.07 -1.52 1 48 LYS -0.88 0.55 1 50 LYS -1.71 0.89 1 51 VAL 2.15 -0.72 1 52 ILE -1.11 1.25 1 54 ALA -2.11 2.44 1 55 ILE 3.09 0.05 1 57 GLN -6.88 6.28 1 58 THR -1.72 1.34 1 59 PHE -6.48 4.33 1 60 PHE -3.95 2.75 1 61 VAL -7.38 3.62 1 62 ASP -4.99 2.30 1 64 ASP -1.18 0.89 1 66 LYS 0.12 -0.69 1 67 ARG -0.95 1.34 1 68 TRP 1.28 -0.51 1 69 SER -3.40 1.91 1 70 GLU 3.85 -0.47 1 71 GLU 3.78 -0.52 1 72 GLU 2.23 -0.35 1 73 LEU 1.35 -0.04 1 74 LYS 0.83 0.19 1 75 GLU -0.54 0.68 1 77 TYR 0.14 -0.01 1 78 ILE -0.97 0.27 1 79 SER -0.72 0.14 1 80 ASN 0.65 -0.18 1 81 ASN -1.04 0.40 1 83 ASP 0.69 -0.05 1 84 GLU -1.68 0.78 1 85 ILE -0.51 0.50 1 86 ARG -0.57 0.86 1 87 GLU -0.82 1.75 1 88 LYS -1.22 0.80 1 89 LYS -0.23 -0.36 1 91 LEU -1.60 0.75 1 92 ARG -1.00 0.13 1 93 TYR -1.22 1.29 1 95 LYS -0.82 1.95 1 96 VAL -2.86 1.65 1 97 TYR -5.26 3.23 1 98 SER -2.26 1.20 1 99 THR 0.40 -0.43 1 100 ASN 0.20 0.11 1 101 GLU 1.19 -0.03 1 102 ASP 0.14 -0.05 1 103 SER -0.72 0.58 1 104 ASP -0.32 0.30 1 105 ALA -0.08 0.33 1 106 LYS -0.19 -0.27 1 107 ASP 2.12 -0.40 1 108 GLU -4.88 3.33 1 109 ILE -4.73 3.55 1 110 ILE -3.02 0.52 1 111 VAL -4.53 3.04 1 112 GLU -3.11 1.60 1 113 PHE -3.61 0.74 1 114 ASN 3.59 -2.81 1 115 ARG 5.07 -3.40 1 116 GLU -5.64 3.44 1 117 TYR -1.07 0.94 1 118 TYR -4.90 3.45 1 119 ARG -0.03 0.48 1 120 ALA -5.48 3.21 1 121 VAL -4.95 2.25 1 122 LEU -0.09 0.91 1 123 ILE 2.29 -1.02 1 124 LYS 0.04 0.06 1 125 ASN -0.12 0.04 1 126 GLU -0.41 0.49 1 127 LYS -0.13 0.06 1 128 GLU 0.32 1.24 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17534_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.38 _LACS_plot.Line_1_terminator_val_y_1 0.94 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.23 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.30 _LACS_plot.Line_2_terminator_val_x_2 5.43 _LACS_plot.Line_2_terminator_val_y_2 -0.69 _LACS_plot.Y_axis_chem_shift_offset -0.03 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 116 GLU -5.64 0.01 0 45 GLU 2.66 -1.13 0 59 PHE -6.48 0.16 0 30 VAL -6.55 0.15 0 61 VAL -7.38 1.58 0 10 ASN 0.11 -0.07 1 11 GLU 0.29 -0.13 1 12 ASN -0.28 0.00 1 13 ASP -0.14 0.04 1 14 THR -0.41 0.07 1 15 SER -0.19 0.01 1 16 GLU -1.50 0.10 1 17 THR -5.56 0.18 1 18 MET 4.34 -0.20 1 19 GLU 5.05 -1.19 1 20 SER 4.39 -0.34 1 21 LEU 4.38 -0.51 1 22 ILE 5.43 -0.82 1 23 ASP 4.88 -0.22 1 24 LYS -0.05 0.01 1 26 LYS 1.41 0.25 1 27 LEU 2.51 -0.16 1 28 ASP -0.26 -0.19 1 29 GLN -4.81 1.06 1 31 VAL -3.20 1.02 1 32 TYR -1.83 0.07 1 33 ASP 2.63 -0.75 1 34 ASP 3.18 -0.63 1 35 GLN -4.41 0.29 1 36 LEU -2.93 0.60 1 37 TYR -5.21 0.55 1 38 HIS -4.91 0.47 1 39 LEU 2.14 -0.15 1 40 LYS -0.50 0.03 1 41 GLU -1.34 0.20 1 42 LYS -0.06 0.13 1 43 VAL -5.94 0.45 1 44 ASP -1.28 -0.08 1 46 ASP 1.76 -0.28 1 47 LYS 0.07 -0.05 1 48 LYS -0.88 -0.37 1 50 LYS -1.71 0.13 1 51 VAL 2.15 -0.42 1 52 ILE -1.11 0.52 1 54 ALA -2.11 0.35 1 55 ILE 3.09 0.12 1 57 GLN -6.88 0.38 1 58 THR -1.72 0.82 1 60 PHE -3.95 0.88 1 62 ASP -4.99 0.83 1 64 ASP -1.18 0.31 1 66 LYS 0.12 -0.04 1 67 ARG -0.95 0.62 1 68 TRP 1.28 -0.16 1 69 SER -3.40 0.26 1 70 GLU 3.85 -0.26 1 71 GLU 3.78 -0.32 1 72 GLU 2.23 -0.23 1 73 LEU 1.35 -0.20 1 74 LYS 0.83 -0.12 1 75 GLU -0.54 -0.02 1 77 TYR 0.14 0.08 1 78 ILE -0.97 -0.05 1 79 SER -0.72 -0.13 1 80 ASN 0.65 -0.10 1 81 ASN -1.04 -0.04 1 83 ASP 0.69 -0.06 1 84 GLU -1.68 0.05 1 85 ILE -0.51 0.00 1 86 ARG -0.57 0.14 1 87 GLU -0.82 -0.13 1 88 LYS -1.22 -0.08 1 89 LYS -0.23 0.31 1 91 LEU -1.60 0.02 1 92 ARG -1.00 0.37 1 93 TYR -1.22 0.54 1 95 LYS -0.82 -0.02 1 96 VAL -2.86 0.60 1 97 TYR -5.26 0.73 1 98 SER -2.26 0.48 1 99 THR 0.40 0.09 1 100 ASN 0.20 -0.05 1 101 GLU 1.19 -0.18 1 102 ASP 0.14 0.04 1 103 SER -0.72 0.04 1 104 ASP -0.32 0.10 1 105 ALA -0.08 0.05 1 106 LYS -0.19 0.20 1 107 ASP 2.12 -0.06 1 108 GLU -4.88 1.09 1 109 ILE -4.73 0.63 1 110 ILE -3.02 1.11 1 111 VAL -4.53 0.56 1 112 GLU -3.11 0.45 1 113 PHE -3.61 0.81 1 114 ASN 3.59 -0.64 1 115 ARG 5.07 -0.69 1 117 TYR -1.07 0.58 1 118 TYR -4.90 0.61 1 119 ARG -0.03 0.35 1 120 ALA -5.48 1.23 1 121 VAL -4.95 1.06 1 122 LEU -0.09 -0.70 1 123 ILE 2.29 -0.19 1 124 LYS 0.04 -0.02 1 125 ASN -0.12 -0.01 1 126 GLU -0.41 -0.06 1 127 LYS -0.13 0.02 1 128 GLU 0.32 -0.26 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17534_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.38 _LACS_plot.Line_1_terminator_val_y_1 -2.50 _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 -0.92 _LACS_plot.Line_2_terminator_val_x_2 5.43 _LACS_plot.Line_2_terminator_val_y_2 1.22 _LACS_plot.Y_axis_chem_shift_offset 0.34 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 128 GLU 0.32 4.57 0 62 ASP -4.99 3.04 0 10 ASN 0.11 0.25 1 11 GLU 0.29 -0.33 1 12 ASN -0.28 -0.44 1 13 ASP -0.14 0.01 1 14 THR -0.41 -0.37 1 15 SER -0.19 -0.18 1 16 GLU -1.50 -1.19 1 17 THR -5.56 -0.07 1 18 MET 4.34 1.51 1 19 GLU 5.05 0.66 1 20 SER 4.39 3.23 1 21 LEU 4.38 2.06 1 22 ILE 5.43 4.34 1 23 ASP 4.88 2.24 1 24 LYS -0.05 0.01 1 26 LYS 1.41 -1.23 1 27 LEU 2.51 0.09 1 28 ASP -0.26 -2.18 1 29 GLN -4.81 -1.84 1 30 VAL -6.55 -3.08 1 31 VAL -3.20 -1.58 1 32 TYR -1.83 -1.09 1 33 ASP 2.63 -1.62 1 34 ASP 3.18 -2.01 1 35 GLN -4.41 -2.87 1 36 LEU -2.93 -1.93 1 37 TYR -5.21 -1.09 1 38 HIS -4.91 1.35 1 39 LEU 2.14 -1.85 1 40 LYS -0.50 -1.11 1 41 GLU -1.34 -2.14 1 42 LYS -0.06 0.70 1 43 VAL -5.94 -1.86 1 44 ASP -1.28 0.82 1 45 GLU 2.66 0.10 1 46 ASP 1.76 0.65 1 47 LYS 0.07 -0.59 1 48 LYS -0.88 -1.75 1 50 LYS -1.71 -0.42 1 51 VAL 2.15 0.40 1 52 ILE -1.11 -0.78 1 54 ALA -2.11 -1.71 1 55 ILE 3.09 1.46 1 57 GLN -6.88 -2.05 1 58 THR -1.72 -2.13 1 59 PHE -6.48 -3.45 1 60 PHE -3.95 0.16 1 61 VAL -7.38 -1.11 1 64 ASP -1.18 0.12 1 66 LYS 0.12 -0.12 1 67 ARG -0.95 1.77 1 68 TRP 1.28 0.42 1 69 SER -3.40 0.08 1 70 GLU 3.85 2.93 1 71 GLU 3.78 3.11 1 72 GLU 2.23 3.11 1 73 LEU 1.35 0.56 1 74 LYS 0.83 0.14 1 77 TYR 0.14 -0.62 1 78 ILE -0.97 -1.04 1 79 SER -0.72 -0.22 1 80 ASN 0.65 -0.61 1 83 ASP 0.69 -0.16 1 84 GLU -1.68 -1.06 1 85 ILE -0.51 -0.82 1 86 ARG -0.57 -0.49 1 87 GLU -0.82 -1.58 1 88 LYS -1.22 -2.22 1 91 LEU -1.60 -3.83 1 92 ARG -1.00 -1.09 1 93 TYR -1.22 1.18 1 95 LYS -0.82 -4.16 1 96 VAL -2.86 -2.44 1 97 TYR -5.26 -0.17 1 98 SER -2.26 0.98 1 99 THR 0.40 0.62 1 100 ASN 0.20 0.12 1 101 GLU 1.19 -0.59 1 102 ASP 0.14 -0.16 1 103 SER -0.72 -0.14 1 104 ASP -0.32 -0.46 1 105 ALA -0.08 -0.03 1 106 LYS -0.19 -0.20 1 107 ASP 2.12 -0.93 1 108 GLU -4.88 -1.75 1 109 ILE -4.73 -2.93 1 110 ILE -3.02 -1.25 1 111 VAL -4.53 -1.67 1 112 GLU -3.11 -1.97 1 113 PHE -3.61 -0.82 1 114 ASN 3.59 -1.29 1 115 ARG 5.07 -1.97 1 116 GLU -5.64 -3.98 1 117 TYR -1.07 -1.31 1 118 TYR -4.90 0.11 1 119 ARG -0.03 -2.31 1 120 ALA -5.48 -2.33 1 121 VAL -4.95 -0.76 1 122 LEU -0.09 -0.13 1 123 ILE 2.29 -0.09 1 124 LYS 0.04 -0.55 1 125 ASN -0.12 0.04 1 126 GLU -0.41 -0.48 1 127 LYS -0.13 -0.98 1 stop_ save_