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 bmr15718_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.32 _LACS_plot.Line_1_terminator_val_y_1 -3.13 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.90 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.48 _LACS_plot.Line_2_terminator_val_x_2 5.58 _LACS_plot.Line_2_terminator_val_y_2 4.64 _LACS_plot.Y_axis_chem_shift_offset -0.13 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 101 HIS -5.68 1.86 0 99 HIS 2.17 5.87 0 10 HIS -0.77 0.90 1 11 THR 0.04 0.25 1 12 GLU -5.55 -1.31 1 13 PHE -3.76 1.14 1 14 THR 0.85 0.50 1 15 ASP -2.01 0.74 1 16 GLU -7.82 -3.35 1 17 VAL -2.22 -0.28 1 18 TYR -0.84 -0.63 1 19 GLN -3.58 -1.25 1 20 ASN -3.97 0.68 1 21 GLU -7.23 -1.47 1 22 SER -4.81 -1.42 1 23 ARG -3.34 -1.15 1 24 TYR 0.18 -0.58 1 28 ASP -2.31 -1.07 1 29 TRP -0.16 0.42 1 30 LYS -2.23 -0.74 1 32 ALA -2.33 -1.07 1 33 GLU 4.20 3.70 1 34 ASP 0.05 -1.38 1 35 THR 5.59 5.33 1 36 TYR -1.31 -0.90 1 37 THR -7.25 -2.28 1 38 ASP -2.76 -1.81 1 39 ALA 2.70 2.26 1 40 ASN -0.26 0.05 1 42 ASP 0.05 0.03 1 43 LYS 2.93 2.88 1 44 ALA -6.61 -2.71 1 45 ALA -0.79 -0.74 1 46 SER -0.53 -0.69 1 48 SER 3.26 2.26 1 49 GLU -2.08 -0.29 1 50 LEU 0.96 1.06 1 51 THR -3.02 -1.64 1 56 TRP -3.85 -1.42 1 57 GLU -5.63 -1.68 1 58 TRP -0.29 0.41 1 59 GLU -1.28 0.25 1 60 ASP -2.90 -0.60 1 61 ASP 1.56 1.29 1 62 ALA -4.95 -1.91 1 63 TRP 0.99 0.62 1 64 SER -3.30 -1.38 1 65 TYR -3.28 -2.21 1 66 ASP -1.92 -1.04 1 67 ILE 0.37 -0.68 1 68 ASN 0.86 -0.49 1 69 ARG -2.18 -0.60 1 70 ALA 1.79 -0.61 1 71 VAL -8.32 -3.79 1 72 ASP -1.72 -1.33 1 73 GLU 3.10 2.59 1 74 LYS -1.27 -1.43 1 76 TRP -2.85 -0.85 1 77 GLU -5.33 -2.96 1 78 TYR -1.64 2.04 1 80 ILE -5.27 -1.41 1 81 THR 0.67 -0.14 1 82 ILE -1.36 -1.08 1 85 ASP 0.79 1.36 1 86 HIS -0.53 0.63 1 87 LYS -1.38 -0.59 1 89 LYS -1.14 -0.36 1 90 SER -1.83 -0.97 1 91 TRP -5.36 -1.65 1 92 VAL -5.55 -2.17 1 93 ALA 0.60 1.79 1 94 ALA -6.17 -1.92 1 95 GLU -0.18 0.49 1 96 LYS -4.91 -3.09 1 97 MET 3.97 3.22 1 98 TYR -0.93 -2.56 1 100 THR -1.33 -0.17 1 102 ARG -3.98 -1.29 1 103 ARG -5.15 -1.68 1 104 ARG -6.71 -2.17 1 105 ARG -3.00 -0.05 1 106 LEU -2.14 -1.10 1 107 VAL -7.65 -3.78 1 108 ARG 1.94 1.49 1 109 LYS -0.72 0.52 1 110 ARG -6.24 -2.19 1 111 LYS -5.38 -1.79 1 112 LYS -1.45 -0.29 1 113 ASP -0.35 -0.47 1 114 LEU 0.98 0.31 1 115 THR 1.41 1.44 1 116 GLN 0.16 0.20 1 117 THR 0.07 0.34 1 118 ALA 0.21 0.35 1 119 SER 0.20 0.22 1 120 SER 0.19 0.38 1 121 THR 0.02 0.14 1 122 ALA -0.02 0.22 1 123 ARG 0.62 1.41 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15718_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.32 _LACS_plot.Line_1_terminator_val_y_1 5.19 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.10 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.52 _LACS_plot.Line_2_terminator_val_x_2 5.58 _LACS_plot.Line_2_terminator_val_y_2 -0.94 _LACS_plot.Y_axis_chem_shift_offset -0.13 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 101 HIS -5.68 7.54 0 99 HIS 2.17 3.70 0 10 HIS -0.77 1.67 1 11 THR 0.04 0.21 1 12 GLU -5.55 4.24 1 13 PHE -3.76 4.90 1 14 THR 0.85 -0.35 1 15 ASP -2.01 2.75 1 16 GLU -7.82 4.47 1 17 VAL -2.22 1.94 1 18 TYR -0.84 0.21 1 19 GLN -3.58 2.33 1 20 ASN -3.97 4.65 1 21 GLU -7.23 5.76 1 22 SER -4.81 3.39 1 23 ARG -3.34 2.19 1 24 TYR 0.18 -0.76 1 28 ASP -2.31 1.24 1 29 TRP -0.16 0.58 1 30 LYS -2.23 1.49 1 32 ALA -2.33 1.26 1 33 GLU 4.20 -0.50 1 34 ASP 0.05 -1.43 1 35 THR 5.59 -0.26 1 36 TYR -1.31 0.41 1 37 THR -7.25 4.97 1 38 ASP -2.76 0.95 1 39 ALA 2.70 -0.44 1 40 ASN -0.26 0.31 1 42 ASP 0.05 -0.02 1 43 LYS 2.93 -0.05 1 44 ALA -6.61 3.90 1 45 ALA -0.79 0.05 1 46 SER -0.53 -0.16 1 48 SER 3.26 -1.00 1 49 GLU -2.08 1.79 1 50 LEU 0.96 0.10 1 51 THR -3.02 1.38 1 56 TRP -3.85 2.43 1 57 GLU -5.63 3.95 1 58 TRP -0.29 0.70 1 59 GLU -1.28 1.53 1 60 ASP -2.90 2.30 1 61 ASP 1.56 -0.27 1 62 ALA -4.95 3.04 1 63 TRP 0.99 -0.37 1 64 SER -3.30 1.92 1 65 TYR -3.28 1.07 1 66 ASP -1.92 0.88 1 67 ILE 0.37 -1.05 1 68 ASN 0.86 -1.35 1 69 ARG -2.18 1.58 1 70 ALA 1.79 -2.40 1 71 VAL -8.32 4.53 1 72 ASP -1.72 0.39 1 73 GLU 3.10 -0.51 1 74 LYS -1.27 -0.16 1 76 TRP -2.85 2.00 1 77 GLU -5.33 2.37 1 78 TYR -1.64 3.68 1 80 ILE -5.27 3.86 1 81 THR 0.67 -0.81 1 82 ILE -1.36 0.28 1 85 ASP 0.79 0.57 1 86 HIS -0.53 1.16 1 87 LYS -1.38 0.79 1 89 LYS -1.14 0.78 1 90 SER -1.83 0.86 1 91 TRP -5.36 3.71 1 92 VAL -5.55 3.38 1 93 ALA 0.60 1.19 1 94 ALA -6.17 4.25 1 95 GLU -0.18 0.67 1 96 LYS -4.91 1.82 1 97 MET 3.97 -0.75 1 98 TYR -0.93 -1.63 1 100 THR -1.33 1.16 1 102 ARG -3.98 2.69 1 103 ARG -5.15 3.47 1 104 ARG -6.71 4.54 1 105 ARG -3.00 2.95 1 106 LEU -2.14 1.04 1 107 VAL -7.65 3.87 1 108 ARG 1.94 -0.45 1 109 LYS -0.72 1.24 1 110 ARG -6.24 4.05 1 111 LYS -5.38 3.59 1 112 LYS -1.45 1.16 1 113 ASP -0.35 -0.12 1 114 LEU 0.98 -0.67 1 115 THR 1.41 0.03 1 116 GLN 0.16 0.04 1 117 THR 0.07 0.27 1 118 ALA 0.21 0.14 1 119 SER 0.20 0.02 1 120 SER 0.19 0.19 1 121 THR 0.02 0.12 1 122 ALA -0.02 0.24 1 123 ARG 0.62 0.79 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15718_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -8.32 _LACS_plot.Line_1_terminator_val_y_1 1.01 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.27 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.24 _LACS_plot.Line_2_terminator_val_x_2 5.58 _LACS_plot.Line_2_terminator_val_y_2 -0.75 _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 36 TYR -1.31 1.36 0 103 ARG -5.15 1.78 0 46 SER -0.53 -1.23 0 16 GLU -7.82 1.89 0 105 ARG -3.00 -0.94 0 10 HIS -0.77 0.22 1 11 THR 0.04 -0.07 1 12 GLU -5.55 1.17 1 13 PHE -3.76 -0.11 1 14 THR 0.85 0.14 1 15 ASP -2.01 0.32 1 17 VAL -2.22 0.16 1 18 TYR -0.84 0.69 1 19 GLN -3.58 0.30 1 20 ASN -3.97 0.95 1 21 GLU -7.23 0.66 1 22 SER -4.81 1.13 1 23 ARG -3.34 0.16 1 24 TYR 0.18 0.02 1 28 ASP -2.31 -0.11 1 29 TRP -0.16 -0.44 1 30 LYS -2.23 0.30 1 32 ALA -2.33 -0.07 1 33 GLU 4.20 -0.46 1 34 ASP 0.05 0.42 1 35 THR 5.59 -0.67 1 37 THR -7.25 0.85 1 38 ASP -2.76 0.52 1 39 ALA 2.70 -1.27 1 40 ASN -0.26 -0.07 1 42 ASP 0.05 0.15 1 43 LYS 2.93 -0.37 1 44 ALA -6.61 0.37 1 45 ALA -0.79 -0.18 1 48 SER 3.26 -0.32 1 49 GLU -2.08 -0.08 1 50 LEU 0.96 0.01 1 51 THR -3.02 0.42 1 56 TRP -3.85 0.32 1 57 GLU -5.63 0.36 1 58 TRP -0.29 0.18 1 59 GLU -1.28 0.13 1 60 ASP -2.90 0.14 1 61 ASP 1.56 -0.38 1 62 ALA -4.95 -0.15 1 63 TRP 0.99 -0.50 1 64 SER -3.30 0.17 1 65 TYR -3.28 0.64 1 66 ASP -1.92 0.02 1 67 ILE 0.37 0.16 1 68 ASN 0.86 0.26 1 69 ARG -2.18 0.15 1 70 ALA 1.79 0.37 1 71 VAL -8.32 0.77 1 72 ASP -1.72 0.15 1 73 GLU 3.10 -0.17 1 74 LYS -1.27 -0.01 1 76 TRP -2.85 -0.09 1 77 GLU -5.33 1.02 1 78 TYR -1.64 0.51 1 80 ILE -5.27 0.90 1 81 THR 0.67 -0.45 1 82 ILE -1.36 0.03 1 85 ASP 0.79 -0.17 1 86 HIS -0.53 -0.04 1 87 LYS -1.38 -0.11 1 89 LYS -1.14 -0.08 1 90 SER -1.83 -0.01 1 91 TRP -5.36 0.71 1 92 VAL -5.55 0.98 1 93 ALA 0.60 0.22 1 94 ALA -6.17 0.37 1 95 GLU -0.18 -1.10 1 96 LYS -4.91 0.12 1 97 MET 3.97 -0.47 1 98 TYR -0.93 -0.13 1 99 HIS 2.17 -0.23 1 100 THR -1.33 -0.01 1 101 HIS -5.68 0.86 1 102 ARG -3.98 1.39 1 104 ARG -6.71 0.22 1 106 LEU -2.14 0.92 1 107 VAL -7.65 1.61 1 108 ARG 1.94 -0.54 1 109 LYS -0.72 0.84 1 110 ARG -6.24 1.14 1 111 LYS -5.38 1.25 1 112 LYS -1.45 -0.85 1 113 ASP -0.35 -0.16 1 114 LEU 0.98 -0.10 1 115 THR 1.41 -0.19 1 116 GLN 0.16 0.01 1 117 THR 0.07 -0.09 1 118 ALA 0.21 -0.01 1 119 SER 0.20 -0.04 1 120 SER 0.19 0.02 1 121 THR 0.02 -0.04 1 122 ALA -0.02 0.00 1 123 ARG 0.62 -0.19 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15718_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -8.32 _LACS_plot.Line_1_terminator_val_y_1 -1.68 _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 -0.76 _LACS_plot.Line_2_terminator_val_x_2 5.58 _LACS_plot.Line_2_terminator_val_y_2 0.17 _LACS_plot.Y_axis_chem_shift_offset 0.52 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 123 ARG 0.62 -4.40 0 17 VAL -2.22 -4.88 0 38 ASP -2.76 3.32 0 10 HIS -0.77 1.11 1 11 THR 0.04 -1.51 1 12 GLU -5.55 -1.80 1 13 PHE -3.76 -2.66 1 14 THR 0.85 -1.77 1 15 ASP -2.01 -1.82 1 16 GLU -7.82 -1.57 1 18 TYR -0.84 -1.02 1 19 GLN -3.58 -0.47 1 20 ASN -3.97 -0.56 1 21 GLU -7.23 -2.01 1 22 SER -4.81 -2.05 1 23 ARG -3.34 -0.76 1 24 TYR 0.18 -0.96 1 28 ASP -2.31 -0.39 1 29 TRP -0.16 0.70 1 30 LYS -2.23 -1.92 1 32 ALA -2.33 -1.02 1 33 GLU 4.20 1.27 1 34 ASP 0.05 -1.09 1 35 THR 5.59 -0.24 1 36 TYR -1.31 0.14 1 37 THR -7.25 -1.01 1 39 ALA 2.70 0.80 1 40 ASN -0.26 0.49 1 42 ASP 0.05 -0.76 1 43 LYS 2.93 -1.74 1 44 ALA -6.61 -2.80 1 45 ALA -0.79 -2.54 1 46 SER -0.53 0.52 1 48 SER 3.26 0.58 1 49 GLU -2.08 0.06 1 50 LEU 0.96 -0.76 1 51 THR -3.02 -0.27 1 56 TRP -3.85 -1.89 1 57 GLU -5.63 -0.61 1 58 TRP -0.29 0.94 1 59 GLU -1.28 -0.43 1 60 ASP -2.90 0.80 1 61 ASP 1.56 -1.99 1 62 ALA -4.95 -1.51 1 63 TRP 0.99 0.25 1 64 SER -3.30 -1.63 1 65 TYR -3.28 -0.15 1 66 ASP -1.92 0.06 1 67 ILE 0.37 0.13 1 68 ASN 0.86 -0.07 1 69 ARG -2.18 -1.76 1 70 ALA 1.79 -3.02 1 71 VAL -8.32 -0.43 1 72 ASP -1.72 1.94 1 73 GLU 3.10 0.79 1 74 LYS -1.27 -2.18 1 76 TRP -2.85 -0.89 1 77 GLU -5.33 -0.71 1 78 TYR -1.64 0.10 1 80 ILE -5.27 -2.36 1 81 THR 0.67 -1.07 1 82 ILE -1.36 -1.46 1 85 ASP 0.79 -0.97 1 86 HIS -0.53 -0.06 1 87 LYS -1.38 -1.38 1 89 LYS -1.14 -0.72 1 90 SER -1.83 -2.99 1 91 TRP -5.36 0.76 1 92 VAL -5.55 0.35 1 93 ALA 0.60 -1.78 1 94 ALA -6.17 -2.35 1 95 GLU -0.18 -0.37 1 96 LYS -4.91 1.77 1 97 MET 3.97 -0.81 1 98 TYR -0.93 0.62 1 99 HIS 2.17 2.29 1 100 THR -1.33 -0.83 1 101 HIS -5.68 -0.14 1 102 ARG -3.98 -2.27 1 103 ARG -5.15 -2.69 1 104 ARG -6.71 -3.36 1 105 ARG -3.00 -2.59 1 106 LEU -2.14 -1.22 1 107 VAL -7.65 -0.11 1 108 ARG 1.94 -2.39 1 109 LYS -0.72 0.29 1 110 ARG -6.24 -2.54 1 111 LYS -5.38 -1.92 1 112 LYS -1.45 -1.05 1 113 ASP -0.35 0.18 1 114 LEU 0.98 0.38 1 115 THR 1.41 0.42 1 116 GLN 0.16 0.14 1 117 THR 0.07 -0.17 1 118 ALA 0.21 0.10 1 119 SER 0.20 0.27 1 120 SER 0.19 0.25 1 121 THR 0.02 -0.53 1 122 ALA -0.02 -1.17 1 stop_ save_