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 bmr11095_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.56 _LACS_plot.Line_1_terminator_val_y_1 -3.26 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.02 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.27 _LACS_plot.Line_2_terminator_val_x_2 6.29 _LACS_plot.Line_2_terminator_val_y_2 4.85 _LACS_plot.Y_axis_chem_shift_offset -0.21 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 98 PHE 4.10 4.72 0 79 ARG 2.97 -0.31 0 10 ARG 1.60 1.24 1 11 ASP 0.72 0.63 1 12 SER 0.11 0.10 1 13 VAL -0.79 -0.18 1 15 ASP 2.29 2.05 1 16 ASN -0.66 -1.62 1 17 HIS 1.11 3.34 1 19 THR -0.87 -0.37 1 20 LYS -3.43 -0.91 1 21 PHE -4.57 -1.40 1 22 LYS 3.42 1.78 1 23 VAL -7.43 -3.15 1 24 THR -2.74 -0.16 1 25 ASN -0.37 1.59 1 26 VAL -7.49 -3.89 1 27 ASP -1.76 -2.55 1 28 ASP 2.40 2.81 1 29 GLU -1.35 -1.17 1 31 VAL 3.91 1.70 1 32 GLU 0.68 0.89 1 33 LEU -0.45 -1.47 1 35 SER -3.00 -0.60 1 37 VAL -3.88 -1.18 1 38 MET -4.71 -1.56 1 39 GLU -6.94 -3.11 1 40 LEU 1.48 0.70 1 41 THR -2.59 -2.24 1 42 GLN 4.43 3.48 1 43 SER -1.93 0.42 1 44 GLU -5.45 -1.46 1 45 LEU -2.34 -0.49 1 46 VAL -1.93 -0.72 1 47 LEU -4.89 -1.96 1 48 HIS -1.50 0.43 1 49 LEU -3.41 -1.23 1 50 HIS 0.97 2.98 1 51 ARG 4.29 1.50 1 52 ARG -3.79 -1.23 1 53 GLU -0.35 -0.22 1 54 ALA -0.34 -0.29 1 55 VAL -1.79 -1.10 1 56 ARG -4.56 -2.06 1 57 TRP -2.15 0.34 1 59 TYR 3.87 0.94 1 60 LEU 1.95 1.91 1 62 LEU 1.42 0.50 1 63 ARG 0.53 1.86 1 64 ARG -3.26 -1.16 1 65 TYR -2.46 -0.95 1 67 TYR -4.90 -1.23 1 68 ASP -4.62 -0.56 1 69 SER 4.21 2.83 1 70 ASN 0.08 0.20 1 71 LEU -5.18 -0.45 1 72 PHE -6.45 -1.96 1 73 SER -5.73 -2.87 1 74 PHE -3.23 -1.05 1 75 GLU -8.56 -3.83 1 76 SER -5.87 -1.06 1 78 ARG 2.27 2.84 1 81 GLN 4.44 3.91 1 82 THR 0.53 1.69 1 84 GLN 0.42 -0.10 1 86 ILE -0.09 -0.65 1 87 PHE -5.46 -2.43 1 88 ALA -6.51 -1.80 1 89 PHE -4.63 -1.45 1 90 LYS -0.67 -0.12 1 92 SER 3.61 2.72 1 93 ARG -1.69 -1.08 1 94 ALA 3.61 4.35 1 95 GLU 2.95 2.59 1 96 GLU 2.18 2.86 1 97 ILE 6.29 4.46 1 99 ASN 3.40 2.75 1 100 LEU 3.31 2.45 1 101 LEU 4.04 2.77 1 102 GLN 3.60 3.54 1 103 ASP 3.01 2.96 1 104 LEU 2.84 2.60 1 105 MET 2.98 2.08 1 106 GLN 2.67 1.82 1 108 ASN 0.21 0.69 1 109 SER 1.08 0.77 1 110 ILE 0.50 0.33 1 111 ASN -0.02 0.11 1 112 VAL 0.46 0.14 1 113 MET -0.08 -0.07 1 114 GLU -1.12 -0.41 1 115 GLU -0.54 0.25 1 117 VAL 0.53 0.28 1 118 ILE -0.25 -0.44 1 119 ILE -0.11 -0.39 1 120 THR -0.40 -0.32 1 121 SER -0.33 -0.15 1 133 SER 2.07 1.80 1 135 LEU -2.30 -0.74 1 136 PHE -0.42 0.98 1 137 ARG -0.38 -0.92 1 138 LEU -1.05 -0.35 1 139 ARG 1.29 1.41 1 140 HIS -5.45 -1.46 1 141 PHE 0.31 1.02 1 145 ASN -0.42 -0.40 1 146 VAL -3.38 -1.32 1 147 ASN -5.21 -2.76 1 148 TYR -0.85 0.41 1 150 TYR 0.01 0.16 1 151 GLN 0.27 0.35 1 152 GLN -0.11 0.00 1 153 GLN 0.78 1.62 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr11095_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.56 _LACS_plot.Line_1_terminator_val_y_1 5.30 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.98 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.73 _LACS_plot.Line_2_terminator_val_x_2 6.29 _LACS_plot.Line_2_terminator_val_y_2 -1.44 _LACS_plot.Y_axis_chem_shift_offset -0.21 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 98 PHE 4.10 0.62 0 79 ARG 2.97 -3.28 0 10 ARG 1.60 -0.36 1 11 ASP 0.72 -0.09 1 12 SER 0.11 -0.01 1 13 VAL -0.79 0.61 1 15 ASP 2.29 -0.24 1 16 ASN -0.66 -0.96 1 17 HIS 1.11 2.23 1 19 THR -0.87 0.50 1 20 LYS -3.43 2.52 1 21 PHE -4.57 3.17 1 22 LYS 3.42 -1.64 1 23 VAL -7.43 4.28 1 24 THR -2.74 2.58 1 25 ASN -0.37 1.96 1 26 VAL -7.49 3.60 1 27 ASP -1.76 -0.79 1 28 ASP 2.40 0.41 1 29 GLU -1.35 0.18 1 31 VAL 3.91 -2.21 1 32 GLU 0.68 0.21 1 33 LEU -0.45 -1.02 1 35 SER -3.00 2.40 1 37 VAL -3.88 2.70 1 38 MET -4.71 3.15 1 39 GLU -6.94 3.83 1 40 LEU 1.48 -0.78 1 41 THR -2.59 0.35 1 42 GLN 4.43 -0.95 1 43 SER -1.93 2.35 1 44 GLU -5.45 3.99 1 45 LEU -2.34 1.85 1 46 VAL -1.93 1.21 1 47 LEU -4.89 2.93 1 48 HIS -1.50 1.93 1 49 LEU -3.41 2.18 1 50 HIS 0.97 2.01 1 51 ARG 4.29 -2.79 1 52 ARG -3.79 2.56 1 53 GLU -0.35 0.13 1 54 ALA -0.34 0.05 1 55 VAL -1.79 0.69 1 56 ARG -4.56 2.50 1 57 TRP -2.15 2.49 1 59 TYR 3.87 -2.93 1 60 LEU 1.95 -0.04 1 62 LEU 1.42 -0.92 1 63 ARG 0.53 1.33 1 64 ARG -3.26 2.10 1 65 TYR -2.46 1.51 1 67 TYR -4.90 3.67 1 68 ASP -4.62 4.06 1 69 SER 4.21 -1.38 1 70 ASN 0.08 0.12 1 71 LEU -5.18 4.73 1 72 PHE -6.45 4.49 1 73 SER -5.73 2.86 1 74 PHE -3.23 2.18 1 75 GLU -8.56 4.73 1 76 SER -5.87 4.81 1 78 ARG 2.27 0.57 1 81 GLN 4.44 -0.53 1 82 THR 0.53 1.16 1 84 GLN 0.42 -0.52 1 86 ILE -0.09 -0.56 1 87 PHE -5.46 3.03 1 88 ALA -6.51 4.71 1 89 PHE -4.63 3.18 1 90 LYS -0.67 0.55 1 92 SER 3.61 -0.89 1 93 ARG -1.69 0.61 1 94 ALA 3.61 0.74 1 95 GLU 2.95 -0.36 1 96 GLU 2.18 0.68 1 97 ILE 6.29 -1.83 1 99 ASN 3.40 -0.65 1 100 LEU 3.31 -0.86 1 101 LEU 4.04 -1.27 1 102 GLN 3.60 -0.06 1 103 ASP 3.01 -0.05 1 104 LEU 2.84 -0.24 1 105 MET 2.98 -0.90 1 106 GLN 2.67 -0.85 1 108 ASN 0.21 0.48 1 109 SER 1.08 -0.31 1 110 ILE 0.50 -0.17 1 111 ASN -0.02 0.13 1 112 VAL 0.46 -0.32 1 113 MET -0.08 0.01 1 114 GLU -1.12 0.71 1 115 GLU -0.54 0.79 1 117 VAL 0.53 -0.25 1 118 ILE -0.25 -0.19 1 119 ILE -0.11 -0.28 1 120 THR -0.40 0.08 1 121 SER -0.33 0.18 1 133 SER 2.07 -0.27 1 135 LEU -2.30 1.56 1 136 PHE -0.42 1.40 1 137 ARG -0.38 -0.54 1 138 LEU -1.05 0.70 1 139 ARG 1.29 0.12 1 140 HIS -5.45 3.99 1 141 PHE 0.31 0.71 1 145 ASN -0.42 0.02 1 146 VAL -3.38 2.06 1 147 ASN -5.21 2.45 1 148 TYR -0.85 1.26 1 150 TYR 0.01 0.15 1 151 GLN 0.27 0.08 1 152 GLN -0.11 0.11 1 153 GLN 0.78 0.84 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr11095_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -8.56 _LACS_plot.Line_1_terminator_val_y_1 1.18 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.21 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.27 _LACS_plot.Line_2_terminator_val_x_2 6.29 _LACS_plot.Line_2_terminator_val_y_2 -0.70 _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 95 GLU 2.95 -1.67 0 10 ARG 1.60 -0.21 1 11 ASP 0.72 -0.08 1 12 SER 0.11 -0.07 1 13 VAL -0.79 -0.04 1 15 ASP 2.29 -0.23 1 16 ASN -0.66 -0.12 1 17 HIS 1.11 -0.73 1 19 THR -0.87 0.32 1 20 LYS -3.43 0.73 1 21 PHE -4.57 -0.12 1 22 LYS 3.42 0.27 1 23 VAL -7.43 1.43 1 24 THR -2.74 0.77 1 25 ASN -0.37 -0.15 1 26 VAL -7.49 1.43 1 27 ASP -1.76 -0.52 1 28 ASP 2.40 -0.48 1 29 GLU -1.35 0.02 1 31 VAL 3.91 -0.57 1 32 GLU 0.68 -0.31 1 33 LEU -0.45 0.23 1 35 SER -3.00 1.14 1 37 VAL -3.88 0.83 1 38 MET -4.71 0.82 1 39 GLU -6.94 1.25 1 40 LEU 1.48 0.66 1 41 THR -2.59 0.58 1 42 GLN 4.43 -0.05 1 43 SER -1.93 0.18 1 44 GLU -5.45 -0.21 1 45 LEU -2.34 0.53 1 46 VAL -1.93 0.42 1 47 LEU -4.89 0.73 1 48 HIS -1.50 -0.09 1 49 LEU -3.41 0.37 1 50 HIS 0.97 -0.21 1 51 ARG 4.29 -0.53 1 52 ARG -3.79 0.31 1 53 GLU -0.35 -0.12 1 54 ALA -0.34 0.24 1 55 VAL -1.79 -0.22 1 56 ARG -4.56 0.92 1 57 TRP -2.15 0.07 1 59 TYR 3.87 -0.07 1 60 LEU 1.95 -0.24 1 62 LEU 1.42 0.36 1 63 ARG 0.53 0.14 1 64 ARG -3.26 0.69 1 65 TYR -2.46 1.12 1 67 TYR -4.90 1.39 1 68 ASP -4.62 -0.41 1 69 SER 4.21 -0.26 1 70 ASN 0.08 0.50 1 71 LEU -5.18 0.91 1 72 PHE -6.45 0.96 1 73 SER -5.73 0.80 1 74 PHE -3.23 0.81 1 75 GLU -8.56 1.55 1 76 SER -5.87 0.77 1 78 ARG 2.27 -0.23 1 79 ARG 2.97 0.18 1 81 GLN 4.44 -0.27 1 82 THR 0.53 -0.15 1 84 GLN 0.42 0.00 1 86 ILE -0.09 0.27 1 87 PHE -5.46 0.17 1 88 ALA -6.51 0.74 1 89 PHE -4.63 0.64 1 90 LYS -0.67 0.79 1 92 SER 3.61 0.22 1 93 ARG -1.69 0.70 1 94 ALA 3.61 -0.70 1 96 GLU 2.18 -0.37 1 97 ILE 6.29 -1.50 1 98 PHE 4.10 -0.72 1 99 ASN 3.40 -0.48 1 100 LEU 3.31 -0.14 1 101 LEU 4.04 -0.85 1 102 GLN 3.60 -0.42 1 103 ASP 3.01 -0.23 1 104 LEU 2.84 -0.28 1 105 MET 2.98 -0.38 1 106 GLN 2.67 -0.07 1 108 ASN 0.21 0.04 1 109 SER 1.08 -0.11 1 110 ILE 0.50 0.00 1 111 ASN -0.02 -0.08 1 112 VAL 0.46 -0.02 1 113 MET -0.08 0.01 1 114 GLU -1.12 -0.07 1 115 GLU -0.54 -0.10 1 117 VAL 0.53 -0.10 1 118 ILE -0.25 -0.01 1 119 ILE -0.11 0.07 1 120 THR -0.40 0.07 1 133 SER 2.07 -0.25 1 135 LEU -2.30 0.06 1 136 PHE -0.42 -0.30 1 137 ARG -0.38 -0.02 1 138 LEU -1.05 0.11 1 139 ARG 1.29 -0.27 1 140 HIS -5.45 -0.01 1 141 PHE 0.31 -0.60 1 145 ASN -0.42 -0.10 1 146 VAL -3.38 0.58 1 147 ASN -5.21 0.08 1 148 TYR -0.85 0.00 1 150 TYR 0.01 0.03 1 151 GLN 0.27 0.01 1 152 GLN -0.11 0.05 1 153 GLN 0.78 -0.16 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr11095_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -8.56 _LACS_plot.Line_1_terminator_val_y_1 -2.73 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.30 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.94 _LACS_plot.Line_2_terminator_val_x_2 6.29 _LACS_plot.Line_2_terminator_val_y_2 1.66 _LACS_plot.Y_axis_chem_shift_offset 0.29 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 153 GLN 0.78 4.51 0 10 ARG 1.60 -0.16 1 11 ASP 0.72 0.02 1 12 SER 0.11 -0.49 1 13 VAL -0.79 -1.25 1 15 ASP 2.29 -1.52 1 16 ASN -0.66 0.05 1 19 THR -0.87 -2.15 1 20 LYS -3.43 -2.04 1 21 PHE -4.57 -0.49 1 22 LYS 3.42 -0.26 1 23 VAL -7.43 -0.88 1 24 THR -2.74 -0.43 1 25 ASN -0.37 -2.67 1 26 VAL -7.49 -2.22 1 27 ASP -1.76 1.75 1 28 ASP 2.40 0.82 1 29 GLU -1.35 -0.08 1 31 VAL 3.91 -0.49 1 32 GLU 0.68 -0.10 1 33 LEU -0.45 -0.90 1 35 SER -3.00 -0.86 1 37 VAL -3.88 -2.21 1 38 MET -4.71 -3.01 1 39 GLU -6.94 -2.33 1 40 LEU 1.48 -0.37 1 41 THR -2.59 0.03 1 42 GLN 4.43 0.60 1 43 SER -1.93 -0.96 1 44 GLU -5.45 -2.91 1 45 LEU -2.34 -1.57 1 46 VAL -1.93 -2.55 1 47 LEU -4.89 -3.34 1 48 HIS -1.50 2.24 1 49 LEU -3.41 -1.06 1 50 HIS 0.97 2.00 1 53 GLU -0.35 -0.86 1 54 ALA -0.34 -0.14 1 55 VAL -1.79 -2.69 1 56 ARG -4.56 0.49 1 57 TRP -2.15 -2.21 1 60 LEU 1.95 -0.53 1 62 LEU 1.42 -1.05 1 63 ARG 0.53 1.58 1 64 ARG -3.26 -2.26 1 65 TYR -2.46 -3.07 1 67 TYR -4.90 -2.25 1 68 ASP -4.62 -0.10 1 69 SER 4.21 0.17 1 70 ASN 0.08 -0.29 1 71 LEU -5.18 -3.75 1 72 PHE -6.45 -2.04 1 73 SER -5.73 -3.27 1 74 PHE -3.23 -4.80 1 75 GLU -8.56 -0.69 1 76 SER -5.87 1.02 1 78 ARG 2.27 2.45 1 79 ARG 2.97 -1.97 1 81 GLN 4.44 2.59 1 82 THR 0.53 2.18 1 84 GLN 0.42 0.91 1 86 ILE -0.09 -3.12 1 87 PHE -5.46 -1.11 1 88 ALA -6.51 -2.25 1 89 PHE -4.63 -1.03 1 90 LYS -0.67 1.05 1 92 SER 3.61 0.44 1 93 ARG -1.69 -0.59 1 94 ALA 3.61 -0.22 1 95 GLU 2.95 0.96 1 96 GLU 2.18 2.91 1 97 ILE 6.29 -0.04 1 98 PHE 4.10 0.14 1 99 ASN 3.40 2.83 1 100 LEU 3.31 0.53 1 101 LEU 4.04 0.18 1 102 GLN 3.60 2.63 1 103 ASP 3.01 2.81 1 104 LEU 2.84 2.62 1 105 MET 2.98 1.94 1 106 GLN 2.67 1.29 1 108 ASN 0.21 -0.09 1 109 SER 1.08 -0.05 1 110 ILE 0.50 -0.62 1 111 ASN -0.02 -0.15 1 112 VAL 0.46 -0.36 1 113 MET -0.08 -0.41 1 114 GLU -1.12 -0.66 1 115 GLU -0.54 -0.52 1 117 VAL 0.53 -0.36 1 118 ILE -0.25 -0.51 1 119 ILE -0.11 -0.03 1 120 THR -0.40 -0.21 1 121 SER -0.33 0.39 1 135 LEU -2.30 -1.34 1 136 PHE -0.42 -1.06 1 137 ARG -0.38 -1.11 1 138 LEU -1.05 0.28 1 139 ARG 1.29 0.16 1 140 HIS -5.45 -0.93 1 145 ASN -0.42 -2.10 1 146 VAL -3.38 -2.21 1 147 ASN -5.21 -1.45 1 148 TYR -0.85 0.39 1 150 TYR 0.01 0.44 1 151 GLN 0.27 -0.27 1 152 GLN -0.11 -1.00 1 stop_ save_