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 bmr17599_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.51 _LACS_plot.Line_1_terminator_val_y_1 -2.66 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.22 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.90 _LACS_plot.Line_2_terminator_val_x_2 8.18 _LACS_plot.Line_2_terminator_val_y_2 6.19 _LACS_plot.Y_axis_chem_shift_offset -0.45 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 31 HIS -5.95 -0.55 0 108 THR 8.18 6.46 0 93 GLU -7.21 -1.27 0 10 SER -0.33 0.70 1 11 ILE 0.07 0.32 1 13 HIS 0.41 1.81 1 14 ASP -0.17 -0.05 1 15 PHE 0.66 0.66 1 16 ARG -0.11 -0.21 1 18 VAL -2.07 -0.27 1 19 SER 1.81 1.54 1 20 ALA -3.91 0.12 1 21 ILE 1.55 1.48 1 22 ILE -4.95 -1.27 1 23 ASP 3.15 1.35 1 24 VAL 4.53 3.34 1 25 ASP 2.00 0.94 1 26 ILE -0.98 0.89 1 27 VAL -0.01 0.19 1 29 GLU 2.60 2.48 1 30 THR 0.31 0.63 1 32 ARG -3.67 -0.22 1 33 ARG -2.35 -0.47 1 34 VAL -4.57 -2.26 1 35 ARG -3.99 -1.55 1 36 LEU -3.47 -1.89 1 38 LYS -1.08 -0.41 1 39 HIS -2.96 -1.42 1 42 ASP 0.25 0.19 1 43 LYS -0.56 0.29 1 45 LEU 2.97 2.96 1 47 PHE -2.83 -1.27 1 48 TYR -4.40 -1.50 1 49 ILE -5.49 -1.45 1 50 ARG -4.75 -1.61 1 51 ASP -1.20 0.29 1 53 THR -2.07 -0.19 1 54 SER -2.34 -0.93 1 55 VAL -1.36 -0.34 1 56 ARG -3.81 -1.23 1 57 VAL 1.41 1.06 1 58 THR -4.14 -1.52 1 59 ALA 2.67 2.13 1 60 SER -0.13 0.10 1 62 LEU -0.70 -0.02 1 63 GLU -4.11 -0.88 1 64 LYS -0.30 0.60 1 65 GLN -2.88 -0.50 1 68 ILE -2.41 -1.96 1 69 PHE -6.10 -1.90 1 70 ILE 3.61 1.02 1 71 SER -0.62 0.43 1 72 ARG -2.14 0.61 1 73 LEU -2.96 -1.54 1 74 VAL -0.33 0.84 1 78 LEU 2.84 3.28 1 79 ALA 3.82 3.91 1 80 GLU 2.78 3.30 1 81 SER 4.05 3.75 1 82 THR -0.09 1.43 1 84 LEU 0.22 1.44 1 85 LEU -7.21 -2.08 1 86 ALA -5.67 -1.98 1 87 VAL 4.70 3.27 1 88 ASN 5.51 3.70 1 89 ASP 2.83 2.59 1 90 GLU -3.45 -1.84 1 91 VAL 2.49 1.75 1 92 ILE -0.44 -0.54 1 94 VAL -2.65 -0.34 1 95 ASN 3.19 2.04 1 97 ILE -0.96 -1.45 1 98 GLU 0.64 1.09 1 99 VAL 1.65 -0.02 1 100 ALA 2.36 1.57 1 102 LYS -2.19 -1.01 1 103 THR -2.90 -1.14 1 104 LEU 4.47 3.98 1 105 ASP 4.08 3.42 1 106 GLN 3.46 3.38 1 107 VAL 6.41 4.86 1 109 ASP 4.10 3.69 1 110 MET 2.77 4.17 1 111 MET 3.53 3.85 1 112 VAL 3.50 2.31 1 113 ALA 2.39 2.17 1 114 ASN -0.28 0.74 1 115 SER 2.33 2.73 1 116 SER 1.55 1.95 1 117 ASN -0.38 0.51 1 118 LEU -2.12 -0.01 1 119 ILE -2.15 -1.40 1 120 ILE -5.81 -2.10 1 121 THR 0.21 -0.19 1 122 VAL -7.51 -4.21 1 123 LYS -2.50 -1.00 1 125 ALA 1.09 1.19 1 126 ASN 0.22 0.21 1 127 GLN 0.08 0.57 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17599_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.51 _LACS_plot.Line_1_terminator_val_y_1 4.85 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.78 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 1.10 _LACS_plot.Line_2_terminator_val_x_2 8.18 _LACS_plot.Line_2_terminator_val_y_2 -1.99 _LACS_plot.Y_axis_chem_shift_offset -0.45 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 31 HIS -5.95 5.40 0 108 THR 8.18 -1.72 0 93 GLU -7.21 5.94 0 10 SER -0.33 1.03 1 11 ILE 0.07 0.25 1 13 HIS 0.41 1.40 1 14 ASP -0.17 0.12 1 15 PHE 0.66 0.00 1 16 ARG -0.11 -0.10 1 18 VAL -2.07 1.80 1 19 SER 1.81 -0.27 1 20 ALA -3.91 4.03 1 21 ILE 1.55 -0.07 1 22 ILE -4.95 3.68 1 23 ASP 3.15 -1.80 1 24 VAL 4.53 -1.19 1 25 ASP 2.00 -1.06 1 26 ILE -0.98 1.87 1 27 VAL -0.01 0.20 1 29 GLU 2.60 -0.12 1 30 THR 0.31 0.32 1 32 ARG -3.67 3.45 1 33 ARG -2.35 1.88 1 34 VAL -4.57 2.31 1 35 ARG -3.99 2.44 1 36 LEU -3.47 1.58 1 38 LYS -1.08 0.67 1 39 HIS -2.96 1.54 1 42 ASP 0.25 -0.06 1 43 LYS -0.56 0.85 1 45 LEU 2.97 -0.01 1 47 PHE -2.83 1.56 1 48 TYR -4.40 2.90 1 49 ILE -5.49 4.04 1 50 ARG -4.75 3.14 1 51 ASP -1.20 1.49 1 53 THR -2.07 1.88 1 54 SER -2.34 1.41 1 55 VAL -1.36 1.02 1 56 ARG -3.81 2.58 1 57 VAL 1.41 -0.35 1 58 THR -4.14 2.62 1 59 ALA 2.67 -0.54 1 60 SER -0.13 0.23 1 62 LEU -0.70 0.68 1 63 GLU -4.11 3.23 1 64 LYS -0.30 0.90 1 65 GLN -2.88 2.38 1 68 ILE -2.41 0.45 1 69 PHE -6.10 4.20 1 70 ILE 3.61 -2.59 1 71 SER -0.62 1.05 1 72 ARG -2.14 2.75 1 73 LEU -2.96 1.42 1 74 VAL -0.33 1.17 1 78 LEU 2.84 0.44 1 79 ALA 3.82 0.09 1 80 GLU 2.78 0.52 1 81 SER 4.05 -0.30 1 82 THR -0.09 1.52 1 84 LEU 0.22 1.22 1 85 LEU -7.21 5.13 1 86 ALA -5.67 3.69 1 87 VAL 4.70 -1.43 1 88 ASN 5.51 -1.81 1 89 ASP 2.83 -0.24 1 90 GLU -3.45 1.61 1 91 VAL 2.49 -0.74 1 92 ILE -0.44 -0.10 1 94 VAL -2.65 2.31 1 95 ASN 3.19 -1.15 1 97 ILE -0.96 -0.49 1 98 GLU 0.64 0.45 1 99 VAL 1.65 -1.67 1 100 ALA 2.36 -0.79 1 102 LYS -2.19 1.18 1 103 THR -2.90 1.76 1 104 LEU 4.47 -0.49 1 105 ASP 4.08 -0.66 1 106 GLN 3.46 -0.08 1 107 VAL 6.41 -1.55 1 109 ASP 4.10 -0.41 1 110 MET 2.77 1.40 1 111 MET 3.53 0.32 1 112 VAL 3.50 -1.19 1 113 ALA 2.39 -0.22 1 114 ASN -0.28 1.02 1 115 SER 2.33 0.40 1 116 SER 1.55 0.40 1 117 ASN -0.38 0.89 1 118 LEU -2.12 2.11 1 119 ILE -2.15 0.75 1 120 ILE -5.81 3.71 1 121 THR 0.21 -0.40 1 122 VAL -7.51 3.30 1 123 LYS -2.50 1.50 1 125 ALA 1.09 0.10 1 126 ASN 0.22 -0.01 1 127 GLN 0.08 0.49 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17599_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.51 _LACS_plot.Line_1_terminator_val_y_1 0.91 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.14 _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 8.18 _LACS_plot.Line_2_terminator_val_y_2 -0.79 _LACS_plot.Y_axis_chem_shift_offset -0.08 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 85 LEU -7.21 0.15 0 108 THR 8.18 0.04 0 10 SER -0.33 0.07 1 11 ILE 0.07 0.02 1 13 HIS 0.41 -0.21 1 14 ASP -0.17 -0.09 1 15 PHE 0.66 -0.09 1 16 ARG -0.11 -0.11 1 18 VAL -2.07 0.19 1 19 SER 1.81 0.43 1 20 ALA -3.91 0.25 1 21 ILE 1.55 0.47 1 22 ILE -4.95 0.71 1 23 ASP 3.15 -0.29 1 24 VAL 4.53 -0.43 1 25 ASP 2.00 -0.09 1 26 ILE -0.98 0.25 1 27 VAL -0.01 0.04 1 29 GLU 2.60 -0.10 1 30 THR 0.31 -0.14 1 31 HIS -5.95 0.69 1 32 ARG -3.67 0.19 1 33 ARG -2.35 0.89 1 34 VAL -4.57 0.72 1 35 ARG -3.99 0.88 1 36 LEU -3.47 0.41 1 38 LYS -1.08 0.76 1 39 HIS -2.96 0.17 1 42 ASP 0.25 -0.02 1 43 LYS -0.56 0.02 1 45 LEU 2.97 -0.33 1 47 PHE -2.83 0.66 1 48 TYR -4.40 0.34 1 49 ILE -5.49 1.50 1 50 ARG -4.75 0.69 1 51 ASP -1.20 0.75 1 53 THR -2.07 0.64 1 54 SER -2.34 0.27 1 55 VAL -1.36 0.67 1 56 ARG -3.81 0.38 1 57 VAL 1.41 0.11 1 58 THR -4.14 0.49 1 59 ALA 2.67 -0.13 1 60 SER -0.13 0.00 1 62 LEU -0.70 0.51 1 63 GLU -4.11 0.31 1 64 LYS -0.30 0.75 1 65 GLN -2.88 0.35 1 68 ILE -2.41 0.75 1 69 PHE -6.10 0.79 1 70 ILE 3.61 0.33 1 71 SER -0.62 0.29 1 72 ARG -2.14 0.12 1 73 LEU -2.96 0.65 1 74 VAL -0.33 -0.20 1 78 LEU 2.84 -0.20 1 79 ALA 3.82 -0.47 1 80 GLU 2.78 -0.39 1 81 SER 4.05 -0.25 1 82 THR -0.09 -0.02 1 84 LEU 0.22 -0.22 1 86 ALA -5.67 0.28 1 87 VAL 4.70 -0.91 1 88 ASN 5.51 -0.45 1 89 ASP 2.83 -0.10 1 90 GLU -3.45 -0.05 1 91 VAL 2.49 -0.44 1 92 ILE -0.44 0.26 1 93 GLU -7.21 0.83 1 94 VAL -2.65 0.49 1 95 ASN 3.19 -0.58 1 97 ILE -0.96 0.12 1 98 GLU 0.64 0.15 1 99 VAL 1.65 -0.09 1 100 ALA 2.36 -0.13 1 102 LYS -2.19 0.43 1 103 THR -2.90 0.16 1 104 LEU 4.47 -0.45 1 105 ASP 4.08 -0.27 1 106 GLN 3.46 -0.22 1 107 VAL 6.41 -0.34 1 109 ASP 4.10 -0.24 1 110 MET 2.77 -0.37 1 111 MET 3.53 -0.45 1 112 VAL 3.50 -0.19 1 113 ALA 2.39 -0.15 1 114 ASN -0.28 0.17 1 115 SER 2.33 -0.26 1 116 SER 1.55 0.01 1 117 ASN -0.38 0.16 1 118 LEU -2.12 0.42 1 119 ILE -2.15 1.07 1 120 ILE -5.81 0.92 1 121 THR 0.21 1.05 1 122 VAL -7.51 1.57 1 123 LYS -2.50 0.52 1 125 ALA 1.09 -0.08 1 126 ASN 0.22 -0.03 1 127 GLN 0.08 -0.01 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17599_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.51 _LACS_plot.Line_1_terminator_val_y_1 -2.40 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.48 _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 8.18 _LACS_plot.Line_2_terminator_val_y_2 2.45 _LACS_plot.Y_axis_chem_shift_offset 0.14 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 47 PHE -2.83 -4.88 0 10 SER -0.33 -0.62 1 11 ILE 0.07 -0.37 1 13 HIS 0.41 0.77 1 14 ASP -0.17 -0.47 1 15 PHE 0.66 -0.27 1 16 ARG -0.11 -1.28 1 18 VAL -2.07 -0.36 1 19 SER 1.81 -0.36 1 20 ALA -3.91 -2.06 1 21 ILE 1.55 0.42 1 22 ILE -4.95 -2.11 1 23 ASP 3.15 0.56 1 24 VAL 4.53 0.63 1 25 ASP 2.00 0.45 1 26 ILE -0.98 -0.21 1 27 VAL -0.01 -0.87 1 29 GLU 2.60 0.32 1 30 THR 0.31 -0.70 1 31 HIS -5.95 0.29 1 32 ARG -3.67 -3.35 1 33 ARG -2.35 -2.42 1 34 VAL -4.57 -2.63 1 35 ARG -3.99 -1.54 1 36 LEU -3.47 -1.73 1 38 LYS -1.08 -0.28 1 39 HIS -2.96 -1.29 1 42 ASP 0.25 -0.24 1 43 LYS -0.56 -0.64 1 45 LEU 2.97 1.38 1 48 TYR -4.40 -0.24 1 49 ILE -5.49 -1.78 1 50 ARG -4.75 -1.73 1 51 ASP -1.20 -0.24 1 53 THR -2.07 -0.98 1 54 SER -2.34 -0.95 1 55 VAL -1.36 -0.49 1 56 ARG -3.81 -1.67 1 57 VAL 1.41 0.00 1 58 THR -4.14 0.67 1 59 ALA 2.67 0.99 1 60 SER -0.13 -0.60 1 62 LEU -0.70 -0.46 1 63 GLU -4.11 -1.31 1 64 LYS -0.30 -0.15 1 65 GLN -2.88 1.51 1 68 ILE -2.41 -1.93 1 69 PHE -6.10 0.18 1 70 ILE 3.61 0.68 1 71 SER -0.62 0.47 1 72 ARG -2.14 -2.59 1 73 LEU -2.96 -1.22 1 74 VAL -0.33 -0.08 1 78 LEU 2.84 2.53 1 79 ALA 3.82 1.30 1 80 GLU 2.78 2.33 1 81 SER 4.05 2.05 1 82 THR -0.09 2.16 1 84 LEU 0.22 -1.63 1 85 LEU -7.21 -3.57 1 86 ALA -5.67 -1.52 1 87 VAL 4.70 0.35 1 88 ASN 5.51 0.19 1 89 ASP 2.83 -0.61 1 90 GLU -3.45 -0.01 1 91 VAL 2.49 -2.46 1 92 ILE -0.44 1.52 1 93 GLU -7.21 -1.77 1 94 VAL -2.65 -0.86 1 95 ASN 3.19 -0.38 1 97 ILE -0.96 -0.47 1 98 GLU 0.64 0.78 1 99 VAL 1.65 -0.76 1 100 ALA 2.36 0.82 1 102 LYS -2.19 0.24 1 103 THR -2.90 1.20 1 104 LEU 4.47 2.39 1 105 ASP 4.08 2.11 1 106 GLN 3.46 3.94 1 107 VAL 6.41 1.86 1 108 THR 8.18 1.96 1 109 ASP 4.10 3.02 1 110 MET 2.77 2.36 1 111 MET 3.53 1.55 1 112 VAL 3.50 2.02 1 113 ALA 2.39 0.43 1 114 ASN -0.28 0.36 1 115 SER 2.33 0.18 1 116 SER 1.55 -0.14 1 117 ASN -0.38 -2.68 1 118 LEU -2.12 -3.09 1 119 ILE -2.15 -0.68 1 120 ILE -5.81 -2.33 1 121 THR 0.21 -0.07 1 122 VAL -7.51 -1.11 1 125 ALA 1.09 0.75 1 126 ASN 0.22 -0.25 1 127 GLN 0.08 -0.91 1 stop_ save_