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 bmr30321_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.60 _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 0.80 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.44 _LACS_plot.Line_2_terminator_val_x_2 5.71 _LACS_plot.Line_2_terminator_val_y_2 4.32 _LACS_plot.Y_axis_chem_shift_offset -0.02 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 57 HIS 2.49 5.84 0 10 SER -2.74 -0.95 1 11 ILE -0.36 -0.11 1 12 THR 1.59 1.08 1 13 SER -1.29 -0.57 1 15 GLU -6.15 -2.12 1 16 VAL 0.82 0.39 1 17 THR -2.88 -1.81 1 18 GLU -3.57 -1.51 1 19 GLU -3.41 -0.81 1 20 ASN 2.20 1.09 1 22 GLU -4.35 -2.04 1 23 GLN -0.70 -0.23 1 24 LEU -3.71 -1.22 1 27 TYR -2.15 -1.05 1 28 PHE 1.83 0.41 1 29 VAL 0.54 -0.33 1 30 MET -0.45 0.17 1 31 VAL -1.76 -1.07 1 32 SER -4.25 -2.12 1 33 LEU -3.61 -1.37 1 34 GLN -2.77 -1.22 1 35 GLU -1.54 -0.37 1 36 VAL 2.82 1.87 1 39 VAL -0.20 -0.12 1 40 GLU -1.37 -0.25 1 41 THR -0.05 0.37 1 42 LYS -2.95 -0.53 1 43 ASN -4.39 -0.55 1 44 TRP -0.28 0.37 1 45 THR -2.08 -0.54 1 46 VAL -5.70 -2.85 1 48 ARG -7.60 -3.36 1 49 ARG -0.98 -0.17 1 50 LEU 4.98 4.60 1 51 SER 5.00 2.65 1 52 GLU 2.81 3.18 1 53 PHE 5.27 5.22 1 54 GLN 5.33 3.42 1 55 ASN 3.71 3.11 1 56 LEU 4.23 3.21 1 58 ARG 4.98 4.03 1 59 LYS 3.91 3.29 1 60 LEU 3.08 2.09 1 61 SER 3.64 2.94 1 62 GLU 1.68 1.66 1 64 VAL -0.26 -0.00 1 66 SER 4.82 2.78 1 67 LEU 1.42 1.52 1 68 LYS 3.74 3.10 1 69 LYS 1.05 0.54 1 70 VAL 1.43 0.68 1 71 GLN -1.42 -1.17 1 72 LEU 0.28 -0.57 1 74 SER -3.51 -1.82 1 75 LEU -0.08 -0.40 1 76 SER 1.42 1.06 1 77 LYS 0.95 -0.17 1 78 LEU -0.23 -0.14 1 80 PHE 0.75 -0.08 1 81 LYS 1.31 0.57 1 82 SER -0.90 -0.57 1 83 ILE 2.28 0.94 1 84 ASP -3.65 -1.90 1 85 GLN 4.47 3.31 1 86 LYS 4.67 3.11 1 87 PHE 4.81 4.26 1 88 MET 5.24 1.24 1 89 GLU 2.77 2.69 1 90 LYS 3.82 3.22 1 91 SER 5.06 3.03 1 92 LYS 5.71 4.25 1 93 ASN 3.97 3.29 1 94 GLN 3.59 3.47 1 95 LEU 3.78 2.19 1 96 ASN 3.69 3.54 1 97 LYS 4.47 3.43 1 98 PHE 2.91 2.07 1 99 LEU 3.24 3.14 1 100 GLN 4.72 2.70 1 101 ASN 3.43 2.88 1 102 LEU 3.22 2.61 1 103 LEU 2.25 1.55 1 104 SER -0.51 -0.06 1 105 ASP -2.77 -0.85 1 106 GLU 3.22 2.87 1 107 ARG 2.43 1.97 1 108 LEU 0.22 0.55 1 110 GLN -0.65 -1.14 1 111 SER 0.02 0.21 1 112 GLU 3.50 3.03 1 113 ALA 3.22 2.14 1 114 LEU 2.69 2.22 1 115 TYR 4.85 3.37 1 116 ALA 3.41 2.56 1 117 PHE 3.27 3.71 1 118 LEU -0.36 -0.53 1 121 SER 0.12 0.24 1 123 ASP -0.40 -0.15 1 124 TYR 0.26 0.33 1 125 LEU -0.01 1.54 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr30321_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.60 _LACS_plot.Line_1_terminator_val_y_1 4.49 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.20 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.56 _LACS_plot.Line_2_terminator_val_x_2 5.71 _LACS_plot.Line_2_terminator_val_y_2 -1.39 _LACS_plot.Y_axis_chem_shift_offset -0.02 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 57 HIS 2.49 3.35 0 10 SER -2.74 1.79 1 11 ILE -0.36 0.25 1 12 THR 1.59 -0.51 1 13 SER -1.29 0.72 1 15 GLU -6.15 4.03 1 16 VAL 0.82 -0.43 1 17 THR -2.88 1.07 1 18 GLU -3.57 2.06 1 19 GLU -3.41 2.60 1 20 ASN 2.20 -1.11 1 22 GLU -4.35 2.31 1 23 GLN -0.70 0.47 1 24 LEU -3.71 2.49 1 27 TYR -2.15 1.10 1 28 PHE 1.83 -1.42 1 29 VAL 0.54 -0.87 1 30 MET -0.45 0.62 1 31 VAL -1.76 0.69 1 32 SER -4.25 2.13 1 33 LEU -3.61 2.24 1 34 GLN -2.77 1.55 1 35 GLU -1.54 1.17 1 36 VAL 2.82 -0.95 1 39 VAL -0.20 0.08 1 40 GLU -1.37 1.12 1 41 THR -0.05 0.42 1 42 LYS -2.95 2.42 1 43 ASN -4.39 3.84 1 44 TRP -0.28 0.65 1 45 THR -2.08 1.54 1 46 VAL -5.70 2.85 1 48 ARG -7.60 4.24 1 49 ARG -0.98 0.81 1 50 LEU 4.98 -0.38 1 51 SER 5.00 -2.35 1 52 GLU 2.81 0.37 1 53 PHE 5.27 -0.05 1 54 GLN 5.33 -1.91 1 55 ASN 3.71 -0.60 1 56 LEU 4.23 -1.02 1 58 ARG 4.98 -0.95 1 59 LYS 3.91 -0.62 1 60 LEU 3.08 -0.99 1 61 SER 3.64 -0.70 1 62 GLU 1.68 -0.02 1 64 VAL -0.26 0.26 1 66 SER 4.82 -2.04 1 67 LEU 1.42 0.10 1 68 LYS 3.74 -0.64 1 69 LYS 1.05 -0.51 1 70 VAL 1.43 -0.75 1 71 GLN -1.42 0.25 1 72 LEU 0.28 -0.85 1 74 SER -3.51 1.69 1 75 LEU -0.08 -0.32 1 76 SER 1.42 -0.36 1 77 LYS 0.95 -1.12 1 78 LEU -0.23 0.09 1 80 PHE 0.75 -0.83 1 81 LYS 1.31 -0.74 1 82 SER -0.90 0.33 1 83 ILE 2.28 -1.34 1 84 ASP -3.65 1.75 1 85 GLN 4.47 -1.16 1 86 LYS 4.67 -1.56 1 87 PHE 4.81 -0.55 1 88 MET 5.24 -4.00 1 89 GLU 2.77 -0.08 1 90 LYS 3.82 -0.60 1 91 SER 5.06 -2.03 1 92 LYS 5.71 -1.46 1 93 ASN 3.97 -0.68 1 94 GLN 3.59 -0.12 1 95 LEU 3.78 -1.59 1 96 ASN 3.69 -0.15 1 97 LYS 4.47 -1.04 1 98 PHE 2.91 -0.84 1 99 LEU 3.24 -0.10 1 100 GLN 4.72 -2.02 1 101 ASN 3.43 -0.55 1 102 LEU 3.22 -0.61 1 103 LEU 2.25 -0.70 1 104 SER -0.51 0.45 1 105 ASP -2.77 1.92 1 106 GLU 3.22 -0.35 1 107 ARG 2.43 -0.46 1 108 LEU 0.22 0.33 1 110 GLN -0.65 -0.49 1 111 SER 0.02 0.19 1 112 GLU 3.50 -0.47 1 113 ALA 3.22 -1.08 1 114 LEU 2.69 -0.47 1 115 TYR 4.85 -1.48 1 116 ALA 3.41 -0.85 1 117 PHE 3.27 0.44 1 118 LEU -0.36 -0.17 1 121 SER 0.12 0.12 1 123 ASP -0.40 0.25 1 124 TYR 0.26 0.07 1 125 LEU -0.01 1.55 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr30321_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.60 _LACS_plot.Line_1_terminator_val_y_1 0.66 _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 0.21 _LACS_plot.Line_2_terminator_val_x_2 5.71 _LACS_plot.Line_2_terminator_val_y_2 -0.47 _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 45 THR -2.08 1.35 0 10 SER -2.74 0.19 1 11 ILE -0.36 0.75 1 12 THR 1.59 0.08 1 13 SER -1.29 0.23 1 15 GLU -6.15 0.39 1 16 VAL 0.82 0.18 1 17 THR -2.88 0.36 1 18 GLU -3.57 0.83 1 19 GLU -3.41 0.16 1 20 ASN 2.20 -0.34 1 22 GLU -4.35 0.27 1 23 GLN -0.70 0.47 1 24 LEU -3.71 0.30 1 27 TYR -2.15 0.26 1 28 PHE 1.83 0.02 1 29 VAL 0.54 0.15 1 30 MET -0.45 0.43 1 31 VAL -1.76 0.44 1 32 SER -4.25 0.50 1 33 LEU -3.61 0.34 1 34 GLN -2.77 0.39 1 35 GLU -1.54 0.01 1 36 VAL 2.82 -0.24 1 39 VAL -0.20 0.08 1 40 GLU -1.37 0.12 1 41 THR -0.05 0.19 1 42 LYS -2.95 0.34 1 43 ASN -4.39 0.89 1 44 TRP -0.28 0.28 1 46 VAL -5.70 0.64 1 48 ARG -7.60 0.60 1 49 ARG -0.98 0.76 1 50 LEU 4.98 0.15 1 51 SER 5.00 0.01 1 52 GLU 2.81 0.16 1 53 PHE 5.27 -0.58 1 54 GLN 5.33 -0.33 1 55 ASN 3.71 -0.16 1 56 LEU 4.23 -0.21 1 57 HIS 2.49 -0.73 1 58 ARG 4.98 -0.50 1 59 LYS 3.91 -0.24 1 60 LEU 3.08 -0.17 1 61 SER 3.64 -0.17 1 62 GLU 1.68 -0.25 1 64 VAL -0.26 0.02 1 66 SER 4.82 -0.26 1 67 LEU 1.42 -0.08 1 68 LYS 3.74 -0.24 1 69 LYS 1.05 -0.11 1 70 VAL 1.43 -0.25 1 71 GLN -1.42 -0.06 1 72 LEU 0.28 -0.43 1 74 SER -3.51 0.18 1 75 LEU -0.08 -0.12 1 76 SER 1.42 -0.22 1 77 LYS 0.95 -0.02 1 78 LEU -0.23 -0.14 1 80 PHE 0.75 -0.09 1 81 LYS 1.31 -0.18 1 82 SER -0.90 0.03 1 83 ILE 2.28 -0.42 1 84 ASP -3.65 0.19 1 85 GLN 4.47 -0.31 1 86 LYS 4.67 -0.16 1 87 PHE 4.81 -0.43 1 88 MET 5.24 -0.08 1 89 GLU 2.77 -0.30 1 90 LYS 3.82 -0.25 1 91 SER 5.06 -0.67 1 92 LYS 5.71 -0.71 1 93 ASN 3.97 -0.24 1 94 GLN 3.59 -0.34 1 95 LEU 3.78 -0.45 1 96 ASN 3.69 -0.06 1 97 LYS 4.47 -0.27 1 98 PHE 2.91 -0.12 1 99 LEU 3.24 -0.74 1 100 GLN 4.72 -0.32 1 101 ASN 3.43 -0.38 1 102 LEU 3.22 -0.47 1 103 LEU 2.25 -0.40 1 104 SER -0.51 0.07 1 105 ASP -2.77 0.13 1 106 GLU 3.22 -0.14 1 107 ARG 2.43 -0.14 1 108 LEU 0.22 0.01 1 110 GLN -0.65 0.33 1 111 SER 0.02 -0.20 1 112 GLU 3.50 -0.24 1 113 ALA 3.22 -0.05 1 114 LEU 2.69 -0.38 1 115 TYR 4.85 -0.70 1 116 ALA 3.41 -0.18 1 117 PHE 3.27 -0.71 1 118 LEU -0.36 -0.14 1 121 SER 0.12 -0.09 1 123 ASP -0.40 -0.12 1 124 TYR 0.26 -0.05 1 125 LEU -0.01 -0.27 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr30321_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.60 _LACS_plot.Line_1_terminator_val_y_1 -3.31 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.88 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.96 _LACS_plot.Line_2_terminator_val_x_2 5.71 _LACS_plot.Line_2_terminator_val_y_2 2.58 _LACS_plot.Y_axis_chem_shift_offset 0.02 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 48 ARG -7.60 -0.41 0 10 SER -2.74 -1.77 1 11 ILE -0.36 0.81 1 12 THR 1.59 0.55 1 13 SER -1.29 -2.52 1 15 GLU -6.15 -3.06 1 16 VAL 0.82 -0.20 1 17 THR -2.88 -2.28 1 18 GLU -3.57 -0.69 1 19 GLU -3.41 -0.28 1 20 ASN 2.20 0.01 1 22 GLU -4.35 -1.55 1 23 GLN -0.70 -0.68 1 27 TYR -2.15 -1.80 1 28 PHE 1.83 -2.02 1 29 VAL 0.54 -1.91 1 30 MET -0.45 -1.31 1 31 VAL -1.76 -1.96 1 32 SER -4.25 -2.14 1 33 LEU -3.61 -2.06 1 34 GLN -2.77 -0.87 1 35 GLU -1.54 0.47 1 36 VAL 2.82 1.04 1 39 VAL -0.20 -0.31 1 40 GLU -1.37 -0.26 1 41 THR -0.05 -0.48 1 42 LYS -2.95 -2.28 1 43 ASN -4.39 -0.85 1 44 TRP -0.28 -3.23 1 45 THR -2.08 0.05 1 49 ARG -0.98 2.94 1 50 LEU 4.98 1.39 1 51 SER 5.00 2.40 1 52 GLU 2.81 3.79 1 53 PHE 5.27 2.13 1 54 GLN 5.33 2.82 1 55 ASN 3.71 2.02 1 56 LEU 4.23 0.18 1 57 HIS 2.49 3.75 1 58 ARG 4.98 2.89 1 59 LYS 3.91 3.94 1 60 LEU 3.08 1.86 1 61 SER 3.64 0.00 1 62 GLU 1.68 0.90 1 66 SER 4.82 2.57 1 67 LEU 1.42 1.72 1 68 LYS 3.74 0.62 1 69 LYS 1.05 0.24 1 70 VAL 1.43 -1.69 1 71 GLN -1.42 -0.80 1 74 SER -3.51 -0.39 1 75 LEU -0.08 0.11 1 76 SER 1.42 0.10 1 77 LYS 0.95 -0.30 1 80 PHE 0.75 -0.37 1 81 LYS 1.31 -0.58 1 82 SER -0.90 -0.71 1 83 ILE 2.28 -1.59 1 84 ASP -3.65 0.03 1 85 GLN 4.47 2.56 1 86 LYS 4.67 2.71 1 87 PHE 4.81 4.32 1 88 MET 5.24 1.80 1 89 GLU 2.77 1.72 1 90 LYS 3.82 3.02 1 91 SER 5.06 1.67 1 92 LYS 5.71 0.82 1 93 ASN 3.97 3.20 1 94 GLN 3.59 3.88 1 95 LEU 3.78 1.11 1 96 ASN 3.69 3.18 1 97 LYS 4.47 1.93 1 98 PHE 2.91 0.78 1 99 LEU 3.24 0.62 1 100 GLN 4.72 3.31 1 101 ASN 3.43 2.90 1 102 LEU 3.22 0.61 1 103 LEU 2.25 0.22 1 104 SER -0.51 -1.50 1 105 ASP -2.77 0.53 1 106 GLU 3.22 1.27 1 107 ARG 2.43 2.25 1 108 LEU 0.22 1.03 1 110 GLN -0.65 -0.09 1 111 SER 0.02 1.04 1 112 GLU 3.50 2.50 1 113 ALA 3.22 2.32 1 114 LEU 2.69 -0.26 1 115 TYR 4.85 2.85 1 116 ALA 3.41 2.43 1 117 PHE 3.27 0.83 1 118 LEU -0.36 -2.29 1 123 ASP -0.40 -1.15 1 124 TYR 0.26 -1.69 1 stop_ save_