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 bmr26748_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.99 _LACS_plot.Line_1_terminator_val_y_1 -3.47 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.94 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.33 _LACS_plot.Line_2_terminator_val_x_2 6.40 _LACS_plot.Line_2_terminator_val_y_2 4.56 _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 94 GLN -4.75 0.73 0 44 ASN -4.01 1.39 0 10 PHE 4.55 3.57 1 11 LEU 3.16 2.26 1 12 THR 5.70 4.54 1 13 GLN 2.26 2.10 1 14 HIS -0.22 0.09 1 15 TYR -4.46 -1.42 1 16 ASP -1.29 -0.73 1 17 ALA 3.09 4.14 1 18 LYS 0.67 1.59 1 20 GLN 0.90 0.18 1 22 ARG -0.21 -1.86 1 23 ASP -4.07 -2.21 1 24 ASP 6.01 4.59 1 25 ARG 4.39 3.10 1 26 TYR 4.91 2.92 1 28 GLU 3.82 3.63 1 29 SER 2.79 2.26 1 30 ILE 3.76 2.10 1 31 MET 6.41 2.58 1 32 ARG 3.75 2.67 1 33 ARG 3.80 3.31 1 34 ARG 0.06 -2.61 1 36 LEU 0.15 -0.96 1 37 THR -0.39 -1.27 1 38 SER -2.11 -1.79 1 41 LYS -1.16 -0.35 1 42 ASP 4.02 2.96 1 43 ILE -3.29 -1.67 1 45 THR 1.28 0.72 1 46 PHE -3.07 -0.83 1 47 ILE -2.03 -0.86 1 48 HIS -3.42 -2.60 1 50 ASN -0.21 0.47 1 51 LYS 2.37 3.73 1 52 ARG 5.14 3.48 1 53 SER 3.81 3.16 1 54 ILE 3.42 2.68 1 55 LYS 6.09 3.96 1 56 ALA 1.81 1.06 1 57 ILE 3.26 3.20 1 59 GLU -2.79 -1.18 1 60 ASN -1.49 -0.14 1 62 ASN -1.96 -2.03 1 64 ASN 2.75 1.26 1 68 GLU 0.79 0.44 1 69 ASN 0.10 0.90 1 70 LEU -5.11 -2.17 1 71 ARG -0.22 0.90 1 73 SER 2.37 2.01 1 74 LYS -1.89 -1.31 1 75 SER 0.09 -0.10 1 76 SER -3.30 -0.60 1 77 PHE 1.95 0.65 1 78 GLN -6.95 -3.79 1 79 VAL 2.04 2.21 1 80 THR 0.96 0.21 1 81 THR -4.14 -1.39 1 83 LYS -0.16 1.03 1 84 LEU -1.00 0.09 1 85 HIS -3.79 -3.70 1 88 SER -2.28 -1.79 1 90 TRP -1.19 -0.69 1 95 TYR -3.88 -3.08 1 96 ARG -4.41 -1.09 1 97 ALA -0.67 0.82 1 98 THR -1.84 -1.15 1 99 ALA -1.93 -1.58 1 101 PHE -3.17 -1.34 1 102 ARG 1.86 1.10 1 103 ASN -3.53 -2.08 1 104 VAL -1.21 -1.21 1 105 VAL -6.99 -4.34 1 106 VAL -4.26 -1.89 1 107 ALA -3.98 -0.58 1 109 GLU 2.46 1.14 1 110 ASN -3.53 -2.56 1 112 LEU -3.53 -2.08 1 114 VAL -1.24 0.54 1 115 HIS -1.83 -1.08 1 116 LEU 0.48 -0.47 1 117 ASP 0.61 0.66 1 118 GLN 4.73 3.51 1 119 SER 3.60 1.38 1 120 ILE 0.32 0.21 1 121 PHE 1.59 1.16 1 122 ARG -0.93 -2.50 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26748_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.99 _LACS_plot.Line_1_terminator_val_y_1 3.52 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.06 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.67 _LACS_plot.Line_2_terminator_val_x_2 6.40 _LACS_plot.Line_2_terminator_val_y_2 -1.84 _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 94 GLN -4.75 5.48 0 44 ASN -4.01 5.40 0 10 PHE 4.55 -0.98 1 11 LEU 3.16 -0.90 1 12 THR 5.70 -1.16 1 13 GLN 2.26 -0.16 1 14 HIS -0.22 0.31 1 15 TYR -4.46 3.04 1 16 ASP -1.29 0.56 1 17 ALA 3.09 1.05 1 18 LYS 0.67 0.92 1 20 GLN 0.90 -0.72 1 22 ARG -0.21 -1.65 1 23 ASP -4.07 1.86 1 24 ASP 6.01 -1.42 1 25 ARG 4.39 -1.29 1 26 TYR 4.91 -1.99 1 28 GLU 3.82 -0.19 1 29 SER 2.79 -0.53 1 30 ILE 3.76 -1.66 1 31 MET 6.41 -3.83 1 32 ARG 3.75 -1.08 1 33 ARG 3.80 -0.49 1 34 ARG 0.06 -2.67 1 36 LEU 0.15 -1.11 1 37 THR -0.39 -0.88 1 38 SER -2.11 0.32 1 41 LYS -1.16 0.81 1 42 ASP 4.02 -1.06 1 43 ILE -3.29 1.62 1 45 THR 1.28 -0.56 1 46 PHE -3.07 2.24 1 47 ILE -2.03 1.17 1 48 HIS -3.42 0.82 1 50 ASN -0.21 0.68 1 51 LYS 2.37 1.36 1 52 ARG 5.14 -1.66 1 53 SER 3.81 -0.65 1 54 ILE 3.42 -0.74 1 55 LYS 6.09 -2.13 1 56 ALA 1.81 -0.75 1 57 ILE 3.26 -0.06 1 59 GLU -2.79 1.61 1 60 ASN -1.49 1.35 1 62 ASN -1.96 -0.07 1 64 ASN 2.75 -1.49 1 68 GLU 0.79 -0.35 1 69 ASN 0.10 0.80 1 70 LEU -5.11 2.94 1 71 ARG -0.22 1.12 1 73 SER 2.37 -0.36 1 74 LYS -1.89 0.58 1 75 SER 0.09 -0.19 1 76 SER -3.30 2.70 1 77 PHE 1.95 -1.30 1 78 GLN -6.95 3.16 1 79 VAL 2.04 0.17 1 80 THR 0.96 -0.75 1 81 THR -4.14 2.75 1 83 LYS -0.16 1.19 1 84 LEU -1.00 1.09 1 85 HIS -3.79 0.09 1 88 SER -2.28 0.49 1 90 TRP -1.19 0.50 1 95 TYR -3.88 0.80 1 96 ARG -4.41 3.32 1 97 ALA -0.67 1.49 1 98 THR -1.84 0.69 1 99 ALA -1.93 0.35 1 101 PHE -3.17 1.83 1 102 ARG 1.86 -0.76 1 103 ASN -3.53 1.45 1 104 VAL -1.21 0.00 1 105 VAL -6.99 2.65 1 106 VAL -4.26 2.37 1 107 ALA -3.98 3.40 1 109 GLU 2.46 -1.32 1 110 ASN -3.53 0.97 1 112 LEU -3.53 1.45 1 114 VAL -1.24 1.78 1 115 HIS -1.83 0.75 1 116 LEU 0.48 -0.95 1 117 ASP 0.61 0.05 1 118 GLN 4.73 -1.22 1 119 SER 3.60 -2.22 1 120 ILE 0.32 -0.11 1 121 PHE 1.59 -0.43 1 122 ARG -0.93 -1.57 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26748_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.99 _LACS_plot.Line_1_terminator_val_y_1 0.71 _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 0.18 _LACS_plot.Line_2_terminator_val_x_2 6.40 _LACS_plot.Line_2_terminator_val_y_2 -0.52 _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 43 ILE -3.29 1.17 0 99 ALA -1.93 1.12 0 78 GLN -6.95 1.17 0 105 VAL -6.99 1.24 0 64 ASN 2.75 0.72 0 10 PHE 4.55 -0.29 1 11 LEU 3.16 -0.46 1 12 THR 5.70 -0.37 1 13 GLN 2.26 -0.49 1 14 HIS -0.22 0.02 1 15 TYR -4.46 1.13 1 16 ASP -1.29 -0.10 1 17 ALA 3.09 -0.33 1 18 LYS 0.67 -0.30 1 20 GLN 0.90 -0.22 1 22 ARG -0.21 -0.40 1 23 ASP -4.07 0.20 1 24 ASP 6.01 -0.57 1 25 ARG 4.39 -0.36 1 26 TYR 4.91 -0.31 1 28 GLU 3.82 -0.49 1 29 SER 2.79 -0.19 1 30 ILE 3.76 -0.38 1 31 MET 6.41 -0.33 1 32 ARG 3.75 -0.10 1 33 ARG 3.80 -0.29 1 34 ARG 0.06 0.03 1 36 LEU 0.15 0.33 1 37 THR -0.39 0.33 1 38 SER -2.11 0.07 1 41 LYS -1.16 -0.20 1 42 ASP 4.02 0.22 1 44 ASN -4.01 -0.11 1 45 THR 1.28 0.59 1 46 PHE -3.07 -0.23 1 47 ILE -2.03 -0.32 1 48 HIS -3.42 0.85 1 50 ASN -0.21 -0.18 1 51 LYS 2.37 0.28 1 52 ARG 5.14 -0.31 1 53 SER 3.81 -0.14 1 54 ILE 3.42 -0.47 1 55 LYS 6.09 -0.70 1 56 ALA 1.81 -0.18 1 57 ILE 3.26 -0.54 1 59 GLU -2.79 0.06 1 60 ASN -1.49 -0.16 1 62 ASN -1.96 0.22 1 68 GLU 0.79 -0.08 1 69 ASN 0.10 -0.18 1 70 LEU -5.11 0.57 1 71 ARG -0.22 -0.14 1 73 SER 2.37 -0.17 1 74 LYS -1.89 0.01 1 75 SER 0.09 -0.39 1 76 SER -3.30 0.01 1 77 PHE 1.95 0.68 1 79 VAL 2.04 0.52 1 80 THR 0.96 0.26 1 81 THR -4.14 0.88 1 83 LYS -0.16 -0.49 1 84 LEU -1.00 -0.09 1 85 HIS -3.79 0.38 1 88 SER -2.28 0.12 1 90 TRP -1.19 0.30 1 94 GLN -4.75 0.38 1 95 TYR -3.88 0.55 1 96 ARG -4.41 1.16 1 97 ALA -0.67 0.24 1 98 THR -1.84 0.95 1 101 PHE -3.17 0.31 1 102 ARG 1.86 -0.07 1 103 ASN -3.53 0.39 1 104 VAL -1.21 1.03 1 106 VAL -4.26 0.64 1 107 ALA -3.98 0.04 1 109 GLU 2.46 -0.41 1 110 ASN -3.53 -0.01 1 112 LEU -3.53 0.46 1 114 VAL -1.24 -0.58 1 115 HIS -1.83 0.32 1 116 LEU 0.48 -0.07 1 117 ASP 0.61 -0.09 1 118 GLN 4.73 -0.42 1 119 SER 3.60 -0.27 1 120 ILE 0.32 -0.03 1 121 PHE 1.59 -0.21 1 122 ARG -0.93 0.28 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26748_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.99 _LACS_plot.Line_1_terminator_val_y_1 -2.14 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.25 _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 6.40 _LACS_plot.Line_2_terminator_val_y_2 1.55 _LACS_plot.Y_axis_chem_shift_offset 0.28 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 32 ARG 3.75 4.35 0 10 PHE 4.55 1.25 1 11 LEU 3.16 3.21 1 12 THR 5.70 1.29 1 13 GLN 2.26 -0.31 1 14 HIS -0.22 -0.32 1 15 TYR -4.46 -1.49 1 16 ASP -1.29 -1.51 1 17 ALA 3.09 0.83 1 18 LYS 0.67 -2.41 1 20 GLN 0.90 -0.34 1 22 ARG -0.21 -2.63 1 23 ASP -4.07 0.15 1 24 ASP 6.01 1.82 1 25 ARG 4.39 3.12 1 26 TYR 4.91 1.15 1 28 GLU 3.82 1.57 1 29 SER 2.79 2.43 1 30 ILE 3.76 0.19 1 31 MET 6.41 2.01 1 33 ARG 3.80 2.25 1 34 ARG 0.06 -0.47 1 36 LEU 0.15 -2.51 1 37 THR -0.39 -1.63 1 38 SER -2.11 -0.49 1 41 LYS -1.16 1.22 1 42 ASP 4.02 -0.50 1 43 ILE -3.29 -3.30 1 44 ASN -4.01 -1.99 1 45 THR 1.28 -2.58 1 46 PHE -3.07 -3.24 1 47 ILE -2.03 -2.15 1 48 HIS -3.42 1.51 1 50 ASN -0.21 1.09 1 51 LYS 2.37 2.22 1 52 ARG 5.14 2.88 1 53 SER 3.81 -0.76 1 54 ILE 3.42 1.31 1 55 LYS 6.09 1.68 1 56 ALA 1.81 1.05 1 57 ILE 3.26 1.39 1 59 GLU -2.79 -0.42 1 62 ASN -1.49 0.52 1 64 ASN -1.96 0.35 1 68 GLU 2.75 -0.47 1 69 ASN 0.79 -0.55 1 70 LEU 0.10 -0.74 1 71 ARG -5.11 -2.79 1 73 SER -0.22 -0.06 1 74 LYS 2.37 1.30 1 75 SER -1.89 -1.09 1 76 SER 0.09 -2.29 1 77 PHE -3.30 0.52 1 78 GLN 1.95 -1.13 1 79 VAL -6.95 -1.43 1 80 THR 2.04 -1.33 1 81 THR 0.96 -1.85 1 83 LYS -4.14 -0.97 1 84 LEU -0.16 -0.98 1 85 HIS -1.00 0.03 1 88 SER -3.79 -0.71 1 90 TRP -2.28 -1.56 1 94 GLN -1.19 -0.20 1 95 TYR -4.75 0.36 1 96 ARG -3.88 0.48 1 97 ALA -4.41 0.97 1 98 THR -0.67 -0.56 1 99 ALA -1.84 -1.10 1 101 PHE -1.93 -0.93 1 102 ARG -3.17 -0.99 1 103 ASN 1.86 -1.15 1 104 VAL -3.53 -2.93 1 105 VAL -1.21 -0.04 1 106 VAL -6.99 -2.27 1 107 ALA -4.26 -0.83 1 109 GLU -3.98 -0.36 1 110 ASN 2.46 -0.68 1 112 LEU -3.53 -1.81 1 114 VAL -3.53 -0.04 1 115 HIS -1.24 -1.57 1 116 LEU -1.83 -2.86 1 117 ASP 0.48 -0.45 1 118 GLN 0.61 1.82 1 119 SER 4.73 2.32 1 120 ILE 3.60 -0.36 1 121 PHE 0.32 -0.69 1 122 ARG 1.59 -0.65 1 123 ARG -0.93 -3.14 1 stop_ save_