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 bmr4215_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.10 _LACS_plot.Line_1_terminator_val_y_1 -4.83 _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 -3.44 _LACS_plot.Line_2_terminator_val_x_2 6.90 _LACS_plot.Line_2_terminator_val_y_2 3.77 _LACS_plot.Y_axis_chem_shift_offset 1.85 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 46 GLU 6.20 10.00 0 10 LYS -0.70 -2.20 1 11 LYS -0.20 -1.70 1 13 ASP -0.10 -1.60 1 14 ASP 1.90 -1.50 1 15 ALA 0.30 -1.40 1 16 SER 0.10 -1.70 1 17 TYR 0.20 -1.60 1 18 PHE -1.20 -2.40 1 19 GLU -1.10 -2.00 1 21 THR -0.30 -1.80 1 24 TYR -3.90 -4.00 1 25 LEU -5.20 -4.00 1 26 MET -1.00 -2.50 1 27 VAL -0.30 -1.60 1 28 ASN -3.40 -3.20 1 29 VAL -5.70 -5.50 1 30 THR -0.90 -1.60 1 32 VAL -7.10 -6.00 1 33 ASP -3.10 -4.00 1 34 SER 3.20 0.80 1 35 LYS -0.70 -2.80 1 37 ASN 0.50 -1.60 1 38 GLU 1.80 0.00 1 39 LEU -2.60 -1.60 1 40 LEU -3.80 -2.30 1 41 SER 0.80 -1.80 1 44 TYR -1.00 -5.60 1 45 VAL -4.10 -2.90 1 47 PHE -3.60 -2.70 1 49 ILE -5.80 -3.70 1 50 LYS -3.10 -3.30 1 53 THR -0.50 -1.40 1 54 THR 0.70 -1.80 1 55 LEU -0.50 -3.10 1 56 THR -4.10 -3.90 1 57 LYS 4.60 2.80 1 58 GLU 3.30 1.10 1 59 LYS 2.50 0.40 1 60 ILE 5.50 1.40 1 61 GLU 5.10 2.60 1 62 TYR 5.40 1.60 1 63 TYR 4.70 1.30 1 64 VAL 6.90 3.50 1 65 GLU 4.40 2.30 1 66 TRP 3.10 1.00 1 67 ALA 4.00 1.40 1 68 LEU 4.20 1.40 1 69 ASP 0.50 -1.90 1 70 ALA 2.20 -0.40 1 71 THR 1.60 0.30 1 72 ALA 1.70 0.10 1 73 TYR 6.10 3.60 1 74 LYS 0.00 -2.20 1 75 GLU -0.60 -0.70 1 76 PHE -4.10 -2.30 1 77 ARG -5.60 -4.50 1 78 VAL 2.40 0.00 1 79 VAL 2.40 0.50 1 80 GLU -3.60 -2.50 1 81 LEU -0.80 -2.00 1 82 ASP -1.30 -1.00 1 84 SER -0.20 -1.60 1 85 ALA 0.60 -0.80 1 86 LYS -4.30 -3.40 1 87 ILE -2.00 -3.80 1 88 GLU -6.70 -3.70 1 89 VAL -5.50 -4.70 1 90 THR -2.00 -2.50 1 91 TYR -4.00 -4.20 1 92 TYR 0.40 -1.50 1 93 ASP -2.90 -3.50 1 94 LYS 3.00 0.80 1 95 ASN 2.30 0.40 1 96 LYS -0.50 -1.30 1 97 LYS 5.50 -0.90 1 98 LYS -4.10 -3.30 1 99 GLU -0.40 -1.70 1 100 GLU -5.70 -4.00 1 101 THR -2.40 -2.40 1 102 LYS -4.10 -3.80 1 103 SER -3.40 -3.70 1 104 PHE -3.10 -3.10 1 106 ILE 2.00 -2.00 1 107 THR -5.90 -4.50 1 108 GLU 3.60 1.50 1 109 LYS 1.50 -0.60 1 111 PHE -6.20 -5.40 1 112 VAL -0.30 -2.70 1 113 VAL 1.60 -0.50 1 115 ASP -0.70 -3.00 1 116 LEU -0.60 -3.00 1 117 SER 5.10 2.50 1 118 GLU 2.60 0.40 1 119 HIS -3.00 0.10 1 120 ILE -2.90 -3.50 1 121 LYS 2.10 0.00 1 122 ASN 0.30 -2.50 1 125 PHE 0.80 -2.60 1 126 ASN -1.40 -1.00 1 127 LEU -2.20 -3.00 1 128 ILE -0.70 -2.80 1 129 THR -0.50 -3.20 1 130 LYS -2.20 -2.40 1 131 VAL -5.00 -4.40 1 132 VAL 1.00 -2.20 1 133 ILE -6.10 -4.10 1 134 GLU -6.50 -4.40 1 135 LYS 1.50 -0.90 1 136 LYS 2.17 0.80 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr4215_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.10 _LACS_plot.Line_1_terminator_val_y_1 2.27 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -3.04 _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 6.90 _LACS_plot.Line_2_terminator_val_y_2 -3.13 _LACS_plot.Y_axis_chem_shift_offset 1.85 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 46 GLU 6.20 3.80 0 10 LYS -0.70 -1.50 1 11 LYS -0.20 -1.50 1 13 ASP -0.10 -1.50 1 14 ASP 1.90 -3.40 1 15 ALA 0.30 -1.70 1 16 SER 0.10 -1.80 1 17 TYR 0.20 -1.80 1 18 PHE -1.20 -1.20 1 19 GLU -1.10 -0.90 1 21 THR -0.30 -1.50 1 24 TYR -3.90 -0.10 1 25 LEU -5.20 1.20 1 26 MET -1.00 -1.50 1 27 VAL -0.30 -1.30 1 28 ASN -3.40 0.20 1 29 VAL -5.70 0.20 1 30 THR -0.90 -0.70 1 32 VAL -7.10 1.10 1 33 ASP -3.10 -0.90 1 34 SER 3.20 -2.40 1 35 LYS -0.70 -2.10 1 37 ASN 0.50 -2.10 1 38 GLU 1.80 -1.80 1 39 LEU -2.60 1.00 1 40 LEU -3.80 1.50 1 41 SER 0.80 -2.60 1 44 TYR -1.00 -4.60 1 45 VAL -4.10 1.20 1 47 PHE -3.60 0.90 1 49 ILE -5.80 2.10 1 50 LYS -3.10 -0.20 1 53 THR -0.50 -0.90 1 54 THR 0.70 -2.50 1 55 LEU -0.50 -2.60 1 56 THR -4.10 0.20 1 57 LYS 4.60 -1.80 1 58 GLU 3.30 -2.20 1 59 LYS 2.50 -2.10 1 60 ILE 5.50 -4.10 1 61 GLU 5.10 -2.50 1 62 TYR 5.40 -3.80 1 63 TYR 4.70 -3.40 1 64 VAL 6.90 -3.40 1 65 GLU 4.40 -2.10 1 66 TRP 3.10 -2.10 1 67 ALA 4.00 -2.60 1 68 LEU 4.20 -2.80 1 69 ASP 0.50 -2.40 1 70 ALA 2.20 -2.60 1 71 THR 1.60 -1.30 1 72 ALA 1.70 -1.60 1 73 TYR 6.10 -2.50 1 74 LYS 0.00 -2.20 1 75 GLU -0.60 -0.10 1 76 PHE -4.10 1.80 1 77 ARG -5.60 1.10 1 78 VAL 2.40 -2.40 1 79 VAL 2.40 -1.90 1 80 GLU -3.60 1.10 1 81 LEU -0.80 -1.20 1 82 ASP -1.30 0.30 1 84 SER -0.20 -1.40 1 85 ALA 0.60 -1.40 1 86 LYS -4.30 0.90 1 87 ILE -2.00 -1.80 1 88 GLU -6.70 3.00 1 89 VAL -5.50 0.80 1 90 THR -2.00 -0.50 1 91 TYR -4.00 -0.20 1 92 TYR 0.40 -1.90 1 93 ASP -2.90 -0.60 1 94 LYS 3.00 -2.20 1 95 ASN 2.30 -1.90 1 96 LYS -0.50 -0.80 1 97 LYS 5.50 -6.40 1 98 LYS -4.10 0.80 1 99 GLU -0.40 -1.30 1 100 GLU -5.70 1.70 1 101 THR -2.40 0.00 1 102 LYS -4.10 0.30 1 103 SER -3.40 -0.30 1 104 PHE -3.10 0.00 1 106 ILE 2.00 -4.00 1 107 THR -5.90 1.40 1 108 GLU 3.60 -2.10 1 109 LYS 1.50 -2.10 1 111 PHE -6.20 0.80 1 112 VAL -0.30 -2.40 1 113 VAL 1.60 -2.10 1 115 ASP -0.70 -2.30 1 116 LEU -0.60 -2.40 1 117 SER 5.10 -2.60 1 118 GLU 2.60 -2.20 1 119 HIS -3.00 3.10 1 120 ILE -2.90 -0.60 1 121 LYS 2.10 -2.10 1 122 ASN 0.30 -2.80 1 125 PHE 0.80 -3.40 1 126 ASN -1.40 0.40 1 127 LEU -2.20 -0.80 1 128 ILE -0.70 -2.10 1 129 THR -0.50 -2.70 1 130 LYS -2.20 -0.20 1 131 VAL -5.00 0.60 1 132 VAL 1.00 -3.20 1 133 ILE -6.10 2.00 1 134 GLU -6.50 2.10 1 135 LYS 1.50 -2.40 1 136 LYS 2.17 -1.37 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr4215_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.10 _LACS_plot.Line_1_terminator_val_y_1 0.79 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.17 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.23 _LACS_plot.Line_2_terminator_val_x_2 6.90 _LACS_plot.Line_2_terminator_val_y_2 -0.62 _LACS_plot.Y_axis_chem_shift_offset -0.04 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 46 GLU 6.20 1.06 0 10 LYS -0.70 -0.06 1 11 LYS -0.20 -0.09 1 13 ASP -0.10 -0.03 1 14 ASP 1.90 -0.08 1 15 ALA 0.30 -0.06 1 16 SER 0.10 -0.11 1 17 TYR 0.20 -0.12 1 18 PHE -1.20 -0.11 1 19 GLU -1.10 -0.23 1 21 THR -0.30 0.04 1 24 TYR -3.90 0.85 1 25 LEU -5.20 0.98 1 26 MET -1.00 0.61 1 27 VAL -0.30 0.47 1 28 ASN -3.40 0.63 1 29 VAL -5.70 1.28 1 30 THR -0.90 0.09 1 32 VAL -7.10 1.27 1 33 ASP -3.10 0.66 1 34 SER 3.20 -0.37 1 35 LYS -0.70 0.18 1 37 ASN 0.50 -0.16 1 38 GLU 1.80 -0.22 1 39 LEU -2.60 0.16 1 40 LEU -3.80 0.19 1 41 SER 0.80 0.10 1 44 TYR -1.00 0.88 1 45 VAL -4.10 0.11 1 47 PHE -3.60 0.11 1 49 ILE -5.80 0.55 1 50 LYS -3.10 0.27 1 53 THR -0.50 -0.05 1 54 THR 0.70 0.32 1 55 LEU -0.50 -0.01 1 56 THR -4.10 -0.05 1 57 LYS 4.60 -0.64 1 58 GLU 3.30 -0.31 1 59 LYS 2.50 -0.42 1 60 ILE 5.50 -0.37 1 61 GLU 5.10 -0.68 1 62 TYR 5.40 -0.33 1 63 TYR 4.70 -0.63 1 64 VAL 6.90 -0.51 1 65 GLU 4.40 -0.56 1 66 TRP 3.10 -0.27 1 67 ALA 4.00 -0.01 1 68 LEU 4.20 -0.38 1 69 ASP 0.50 -0.05 1 70 ALA 2.20 -0.14 1 71 THR 1.60 0.01 1 72 ALA 1.70 0.26 1 73 TYR 6.10 -0.08 1 74 LYS 0.00 -0.30 1 75 GLU -0.60 -0.22 1 76 PHE -4.10 0.65 1 77 ARG -5.60 0.47 1 78 VAL 2.40 -0.36 1 79 VAL 2.40 -0.17 1 80 GLU -3.60 0.21 1 81 LEU -0.80 0.10 1 82 ASP -1.30 -0.26 1 84 SER -0.20 0.04 1 85 ALA 0.60 0.00 1 86 LYS -4.30 0.47 1 87 ILE -2.00 0.89 1 88 GLU -6.70 1.34 1 89 VAL -5.50 0.69 1 90 THR -2.00 1.22 1 91 TYR -4.00 0.31 1 92 TYR 0.40 -0.24 1 93 ASP -2.90 -0.11 1 94 LYS 3.00 -0.28 1 95 ASN 2.30 -0.02 1 96 LYS -0.50 -0.26 1 97 LYS 5.50 -0.73 1 98 LYS -4.10 0.16 1 99 GLU -0.40 0.15 1 100 GLU -5.70 0.16 1 101 THR -2.40 1.01 1 102 LYS -4.10 0.21 1 103 SER -3.40 0.88 1 104 PHE -3.10 -0.13 1 106 ILE 2.00 0.29 1 107 THR -5.90 0.57 1 108 GLU 3.60 -0.10 1 109 LYS 1.50 -0.18 1 111 PHE -6.20 0.47 1 112 VAL -0.30 -0.06 1 113 VAL 1.60 -0.90 1 115 ASP -0.70 0.06 1 116 LEU -0.60 0.33 1 117 SER 5.10 -0.25 1 118 GLU 2.60 -0.42 1 119 HIS -3.00 0.06 1 120 ILE -2.90 0.41 1 121 LYS 2.10 -0.18 1 122 ASN 0.30 -0.38 1 125 PHE 0.80 -0.21 1 126 ASN -1.40 0.58 1 127 LEU -2.20 0.56 1 128 ILE -0.70 0.88 1 129 THR -0.50 0.55 1 130 LYS -2.20 1.03 1 131 VAL -5.00 0.52 1 132 VAL 1.00 0.60 1 133 ILE -6.10 1.23 1 134 GLU -6.50 0.44 1 135 LYS 1.50 -0.14 1 136 LYS 2.17 -0.39 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr4215_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.10 _LACS_plot.Line_1_terminator_val_y_1 -4.55 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.48 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -2.89 _LACS_plot.Line_2_terminator_val_x_2 6.90 _LACS_plot.Line_2_terminator_val_y_2 0.09 _LACS_plot.Y_axis_chem_shift_offset 2.18 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 119 HIS -3.00 1.00 0 33 ASP -3.10 1.40 0 10 LYS -0.70 -2.40 1 11 LYS -0.20 -1.10 1 13 ASP -0.10 -1.70 1 14 ASP 1.90 -1.70 1 15 ALA 0.30 -1.50 1 16 SER 0.10 -2.20 1 17 TYR 0.20 -2.60 1 18 PHE -1.20 -3.10 1 21 THR -0.30 -1.80 1 24 TYR -3.90 -5.80 1 25 LEU -5.20 -4.10 1 26 MET -1.00 -3.70 1 27 VAL -0.30 -5.20 1 28 ASN -3.40 -2.00 1 29 VAL -5.70 -2.80 1 30 THR -0.90 -2.30 1 32 VAL -7.10 -3.70 1 34 SER 3.20 -1.90 1 35 LYS -0.70 -1.30 1 37 ASN 0.50 -1.70 1 38 GLU 1.80 -2.40 1 39 LEU -2.60 -2.80 1 40 LEU -3.80 -4.30 1 44 TYR -1.00 -2.30 1 45 VAL -4.10 -4.80 1 46 GLU 6.20 -2.60 1 49 ILE -5.80 -4.20 1 53 THR -0.50 -3.40 1 54 THR 0.70 -1.70 1 55 LEU -0.50 -4.30 1 57 LYS 4.60 -3.60 1 58 GLU 3.30 0.60 1 59 LYS 2.50 0.00 1 60 ILE 5.50 -0.20 1 61 GLU 5.10 0.50 1 62 TYR 5.40 0.10 1 63 TYR 4.70 0.90 1 64 VAL 6.90 -0.70 1 65 GLU 4.40 0.20 1 69 ASP 0.50 -0.40 1 70 ALA 2.20 -0.70 1 71 THR 1.60 -2.40 1 72 ALA 1.70 -3.10 1 74 LYS 0.00 -2.50 1 75 GLU -0.60 -1.20 1 76 PHE -4.10 -3.50 1 77 ARG -5.60 -2.50 1 78 VAL 2.40 -2.30 1 79 VAL 2.40 -1.50 1 80 GLU -3.60 -3.60 1 81 LEU -0.80 -3.20 1 84 SER -0.20 -1.60 1 85 ALA 0.60 -3.00 1 86 LYS -4.30 -3.90 1 87 ILE -2.00 -2.40 1 88 GLU -6.70 -3.60 1 89 VAL -5.50 -5.90 1 90 THR -2.00 -3.00 1 91 TYR -4.00 -6.00 1 92 TYR 0.40 -3.46 1 93 ASP -2.90 -1.30 1 94 LYS 3.00 -0.50 1 95 ASN 2.30 0.30 1 96 LYS -0.50 -2.10 1 97 LYS 5.50 -3.30 1 98 LYS -4.10 -4.00 1 99 GLU -0.40 -2.90 1 100 GLU -5.70 -4.10 1 101 THR -2.40 -2.50 1 102 LYS -4.10 -4.10 1 103 SER -3.40 -2.90 1 106 ILE 2.00 -1.90 1 107 THR -5.90 -1.10 1 108 GLU 3.60 0.30 1 109 LYS 1.50 -0.30 1 111 PHE -6.20 -5.10 1 112 VAL -0.30 -1.50 1 115 ASP -0.70 -1.00 1 116 LEU -0.60 -1.40 1 117 SER 5.10 -0.70 1 118 GLU 2.60 -2.00 1 120 ILE -2.90 -4.70 1 121 LYS 2.10 -2.10 1 125 PHE 0.80 -2.80 1 126 ASN -1.40 -2.20 1 127 LEU -2.20 -5.00 1 128 ILE -0.70 -1.80 1 129 THR -0.50 -4.00 1 130 LYS -2.20 -2.30 1 131 VAL -5.00 -4.40 1 132 VAL 1.00 -1.50 1 133 ILE -6.10 -4.10 1 134 GLU -6.50 -3.20 1 135 LYS 1.50 -1.80 1 stop_ save_