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            bmr16476_21.str 
    _LACS_plot.X_coord_name               CA-CB 
    _LACS_plot.Y_coord_name               CA 
    _LACS_plot.Line_1_terminator_val_x_1  -8.29 
    _LACS_plot.Line_1_terminator_val_y_1  -3.35 
    _LACS_plot.Line_1_terminator_val_x_2  2.00 
    _LACS_plot.Line_1_terminator_val_y_2  0.79 
    _LACS_plot.Line_2_terminator_val_x_1  -2.00 
    _LACS_plot.Line_2_terminator_val_y_1  -1.39 
    _LACS_plot.Line_2_terminator_val_x_2  6.94 
    _LACS_plot.Line_2_terminator_val_y_2  5.02 
    _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 

         50 GLU -7.29 -1.54 0 
         26 ALA -8.29 -2.24 0 
         10 MET  2.10  1.96 1 
         11 PHE  5.15  4.14 1 
         12 VAL  6.81  5.15 1 
         13 SER  4.79  3.47 1 
         14 ALA  3.77  2.31 1 
         15 LEU  3.74  2.69 1 
         16 ILE  5.87  4.77 1 
         17 ARG  4.82  3.92 1 
         18 ARG  4.18  3.61 1 
         19 VAL  6.95  4.47 1 
         20 PHE  5.34  4.29 1 
         21 ALA  3.57  2.22 1 
         22 ALA -0.32 -0.87 1 
         25 PHE -4.49 -1.27 1 
         27 ALA -4.82 -0.95 1 
         28 VAL  2.90  1.95 1 
         29 GLU  0.47  1.09 1 
         30 LYS -3.87 -0.83 1 
         31 LYS  0.60 -0.11 1 
         33 ALA  0.25  0.17 1 
         34 GLU  4.56  4.61 1 
         35 ALA  3.53  2.62 1 
         36 ALA -1.66 -1.31 1 
         38 ALA -0.79  0.18 1 
         39 ILE -1.14  0.33 1 
         40 PHE -3.51 -1.32 1 
         41 VAL -4.13 -1.91 1 
         42 ARG -4.46 -1.93 1 
         43 GLN -5.22 -2.92 1 
         44 ARG -0.01  0.32 1 
         45 LEU -0.94 -1.13 1 
         46 ARG  3.98  2.77 1 
         47 ASP  0.17 -0.94 1 
         49 ARG -0.42 -0.09 1 
         51 ASN -5.66 -2.74 1 
         52 LEU -6.11 -2.21 1 
         53 TYR -3.25 -1.97 1 
         56 ALA -0.99 -0.99 1 
         58 GLN -0.60 -0.07 1 
         59 SER -0.58 -0.63 1 
         60 PHE -0.00 -0.08 1 
         61 ALA -0.37 -0.03 1 
         62 ASP  0.05  0.16 1 
         63 ASP  0.81  0.51 1 
         64 GLU  0.49  0.70 1 
         65 ASP  0.65  0.45 1 
         66 ILE  2.22  1.65 1 
         67 MET  1.61  0.54 1 
         68 ARG  0.17  0.03 1 
         69 ALA -1.51 -0.59 1 
         70 GLU -1.54 -0.67 1 
         71 ARG  0.97  0.96 1 
         72 ARG -4.35 -1.70 1 
         73 PHE -4.17 -0.34 1 
         74 GLU -7.12 -3.62 1 
         75 THR  4.66  2.50 1 
         76 ARG -0.17 -0.14 1 
         77 LEU -5.79 -0.88 1 
         78 ALA -4.15 -2.18 1 
         80 VAL -4.24 -2.91 1 
         81 GLU -1.61 -0.97 1 
         83 GLU  3.70  2.80 1 
         84 GLU  3.04  2.61 1 
         85 ILE  4.92  2.96 1 
         86 ALA  3.77  2.60 1 
         87 ALA  3.42  2.27 1 
         88 LEU  3.98  3.19 1 
         89 LEU  3.30  2.38 1 
         90 GLU  3.95  2.91 1 
         91 ARG  4.72  3.54 1 
         92 GLU  3.89  2.06 1 
         93 ARG  2.32  1.74 1 
         94 ARG  3.79  2.46 1 
         95 PHE  0.39  0.51 1 
         96 ASP -1.63 -1.10 1 
         97 SER  2.14  1.75 1 
         98 ASP -0.99  0.18 1 
         99 LEU  0.72  0.59 1 
        100 TRP -4.06 -1.87 1 
        101 VAL -1.48 -0.20 1 
        102 VAL -2.96 -1.21 1 
        103 GLU -4.38 -2.44 1 
        104 ILE -5.26 -1.87 1 
        105 GLU -2.50 -1.24 1 
        106 THR  1.17 -1.03 1 
        107 ASP  1.21  1.57 1 
        108 GLU -3.09 -2.04 1 
        109 ILE -1.10 -0.95 1 
        111 THR  0.63 -0.51 1 
        112 LEU  0.65  1.56 1 
        113 LEU -5.21 -2.72 1 
        114 THR  2.59  1.04 1 
        115 LEU -3.07 -2.15 1 
        116 VAL  0.13 -0.64 1 
        117 ASP -0.64 -0.61 1 
        118 GLN -0.58 -0.24 1 
        120 GLN -0.30 -0.17 1 
        121 ALA  0.19  1.18 1 
    stop_

save_


save_LACS_CACB_CB_output
    _LACS_plot.Sf_category                LACS_output 
    _LACS.plot.Input_file_name            bmr16476_21.str 
    _LACS_plot.X_coord_name               CA-CB 
    _LACS_plot.Y_coord_name               CB 
    _LACS_plot.Line_1_terminator_val_x_1  -8.29 
    _LACS_plot.Line_1_terminator_val_y_1  4.94 
    _LACS_plot.Line_1_terminator_val_x_2  2.00 
    _LACS_plot.Line_1_terminator_val_y_2  -1.21 
    _LACS_plot.Line_2_terminator_val_x_1  -2.00 
    _LACS_plot.Line_2_terminator_val_y_1  0.61 
    _LACS_plot.Line_2_terminator_val_x_2  6.94 
    _LACS_plot.Line_2_terminator_val_y_2  -1.92 
    _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 

         50 GLU -7.29  5.75 0 
         26 ALA -8.29  6.05 0 
         10 MET  2.10 -0.14 1 
         11 PHE  5.15 -1.01 1 
         12 VAL  6.81 -1.66 1 
         13 SER  4.79 -1.32 1 
         14 ALA  3.77 -1.46 1 
         15 LEU  3.74 -1.05 1 
         16 ILE  5.87 -1.10 1 
         17 ARG  4.82 -0.90 1 
         18 ARG  4.18 -0.57 1 
         19 VAL  6.95 -2.48 1 
         20 PHE  5.34 -1.05 1 
         21 ALA  3.57 -1.35 1 
         22 ALA -0.32 -0.55 1 
         25 PHE -4.49  3.22 1 
         27 ALA -4.82  3.87 1 
         28 VAL  2.90 -0.95 1 
         29 GLU  0.47  0.62 1 
         30 LYS -3.87  3.04 1 
         31 LYS  0.60 -0.71 1 
         33 ALA  0.25 -0.08 1 
         34 GLU  4.56  0.05 1 
         35 ALA  3.53 -0.91 1 
         36 ALA -1.66  0.35 1 
         38 ALA -0.79  0.97 1 
         39 ILE -1.14  1.47 1 
         40 PHE -3.51  2.19 1 
         41 VAL -4.13  2.22 1 
         42 ARG -4.46  2.53 1 
         43 GLN -5.22  2.30 1 
         44 ARG -0.01  0.33 1 
         45 LEU -0.94 -0.19 1 
         46 ARG  3.98 -1.21 1 
         47 ASP  0.17 -1.11 1 
         49 ARG -0.42  0.33 1 
         51 ASN -5.66  2.92 1 
         52 LEU -6.11  3.90 1 
         53 TYR -3.25  1.28 1 
         56 ALA -0.99  0.00 1 
         58 GLN -0.60  0.53 1 
         59 SER -0.58 -0.05 1 
         60 PHE -0.00 -0.08 1 
         61 ALA -0.37  0.34 1 
         62 ASP  0.05  0.11 1 
         63 ASP  0.81 -0.30 1 
         64 GLU  0.49  0.21 1 
         65 ASP  0.65 -0.20 1 
         66 ILE  2.22 -0.57 1 
         67 MET  1.61 -1.07 1 
         68 ARG  0.17 -0.14 1 
         69 ALA -1.51  0.92 1 
         70 GLU -1.54  0.87 1 
         71 ARG  0.97 -0.01 1 
         72 ARG -4.35  2.65 1 
         73 PHE -4.17  3.83 1 
         74 GLU -7.12  3.50 1 
         75 THR  4.66 -2.16 1 
         76 ARG -0.17  0.03 1 
         77 LEU -5.79  4.91 1 
         78 ALA -4.15  1.97 1 
         80 VAL -4.24  1.33 1 
         81 GLU -1.61  0.64 1 
         83 GLU  3.70 -0.90 1 
         84 GLU  3.04 -0.43 1 
         85 ILE  4.92 -1.96 1 
         86 ALA  3.77 -1.17 1 
         87 ALA  3.42 -1.15 1 
         88 LEU  3.98 -0.79 1 
         89 LEU  3.30 -0.92 1 
         90 GLU  3.95 -1.04 1 
         91 ARG  4.72 -1.18 1 
         92 GLU  3.89 -1.83 1 
         93 ARG  2.32 -0.58 1 
         94 ARG  3.79 -1.33 1 
         95 PHE  0.39  0.12 1 
         96 ASP -1.63  0.53 1 
         97 SER  2.14 -0.39 1 
         98 ASP -0.99  1.17 1 
         99 LEU  0.72 -0.13 1 
        100 TRP -4.06  2.19 1 
        101 VAL -1.48  1.28 1 
        102 VAL -2.96  1.75 1 
        103 GLU -4.38  1.94 1 
        104 ILE -5.26  3.39 1 
        105 GLU -2.50  1.26 1 
        106 THR  1.17 -2.20 1 
        107 ASP  1.21  0.36 1 
        108 GLU -3.09  1.05 1 
        109 ILE -1.10  0.15 1 
        111 THR  0.63 -1.14 1 
        112 LEU  0.65  0.91 1 
        113 LEU -5.21  2.49 1 
        114 THR  2.59 -1.55 1 
        115 LEU -3.07  0.92 1 
        116 VAL  0.13 -0.77 1 
        117 ASP -0.64  0.03 1 
        118 GLN -0.58  0.34 1 
        120 GLN -0.30  0.13 1 
        121 ALA  0.19  0.99 1 
    stop_

save_


save_LACS_CACB_HA_output
    _LACS_plot.Sf_category                LACS_output 
    _LACS.plot.Input_file_name            bmr16476_21.str 
    _LACS_plot.X_coord_name               CA-CB 
    _LACS_plot.Y_coord_name               HA 
    _LACS_plot.Line_1_terminator_val_x_1  -8.29 
    _LACS_plot.Line_1_terminator_val_y_1  0.87 
    _LACS_plot.Line_1_terminator_val_x_2  2.00 
    _LACS_plot.Line_1_terminator_val_y_2  -0.28 
    _LACS_plot.Line_2_terminator_val_x_1  -2.00 
    _LACS_plot.Line_2_terminator_val_y_1  0.16 
    _LACS_plot.Line_2_terminator_val_x_2  6.94 
    _LACS_plot.Line_2_terminator_val_y_2  -0.84 
    _LACS_plot.Y_axis_chem_shift_offset   0.06 

    loop_
        _LACS.Comp_index_ID 
        _LACS.Comp_ID 
        _LACS.X_coord_val 
        _LACS.Y_coord_val 
        _LACS.Designator 

         25 PHE -4.49 -0.84 0 
         10 MET  2.10 -0.28 1 
         11 PHE  5.15 -0.90 1 
         12 VAL  6.81 -1.10 1 
         13 SER  4.79 -0.57 1 
         14 ALA  3.77 -0.46 1 
         15 LEU  3.74 -0.70 1 
         16 ILE  5.87 -1.11 1 
         17 ARG  4.82 -0.36 1 
         18 ARG  4.18 -0.47 1 
         19 VAL  6.95 -0.82 1 
         20 PHE  5.34 -0.40 1 
         21 ALA  3.57 -0.22 1 
         22 ALA -0.32  0.04 1 
         26 ALA -8.29  0.62 1 
         27 ALA -4.82  0.01 1 
         28 VAL  2.90 -0.15 1 
         29 GLU  0.47 -0.07 1 
         30 LYS -3.87  0.03 1 
         31 LYS  0.60 -1.05 1 
         33 ALA  0.25 -0.15 1 
         34 GLU  4.56 -0.22 1 
         35 ALA  3.53  0.06 1 
         36 ALA -1.66  0.29 1 
         38 ALA -0.79 -0.27 1 
         39 ILE -1.14  0.36 1 
         40 PHE -3.51  0.62 1 
         41 VAL -4.13  0.86 1 
         42 ARG -4.46  0.75 1 
         43 GLN -5.22  1.03 1 
         44 ARG -0.01  0.15 1 
         45 LEU -0.94  0.14 1 
         46 ARG  3.98 -0.41 1 
         47 ASP  0.17 -0.27 1 
         49 ARG -0.42 -0.03 1 
         50 GLU -7.29  1.03 1 
         51 ASN -5.66  0.41 1 
         52 LEU -6.11  0.93 1 
         53 TYR -3.25  0.97 1 
         56 ALA -0.99 -0.38 1 
         58 GLN -0.60 -0.26 1 
         59 SER -0.58 -0.22 1 
         60 PHE -0.00 -0.13 1 
         61 ALA -0.37 -0.15 1 
         62 ASP  0.05 -0.23 1 
         63 ASP  0.81 -0.29 1 
         64 GLU  0.49 -0.34 1 
         65 ASP  0.65 -0.27 1 
         66 ILE  2.22 -0.46 1 
         67 MET  1.61 -0.25 1 
         68 ARG  0.17 -0.14 1 
         69 ALA -1.51 -0.07 1 
         70 GLU -1.54 -0.12 1 
         71 ARG  0.97 -0.64 1 
         72 ARG -4.35  0.30 1 
         73 PHE -4.17  0.40 1 
         74 GLU -7.12  0.65 1 
         75 THR  4.66 -0.24 1 
         76 ARG -0.17 -0.06 1 
         77 LEU -5.79  0.14 1 
         78 ALA -4.15  0.68 1 
         80 VAL -4.24  0.52 1 
         81 GLU -1.61  0.10 1 
         83 GLU  3.70 -0.38 1 
         84 GLU  3.04 -0.35 1 
         85 ILE  4.92 -0.81 1 
         86 ALA  3.77 -0.53 1 
         87 ALA  3.42 -0.31 1 
         88 LEU  3.98 -0.30 1 
         89 LEU  3.30 -0.85 1 
         90 GLU  3.95 -0.62 1 
         91 ARG  4.72 -0.58 1 
         92 GLU  3.89 -0.33 1 
         93 ARG  2.32 -0.34 1 
         94 ARG  3.79 -0.55 1 
         95 PHE  0.39 -0.15 1 
         96 ASP -1.63  0.06 1 
         97 SER  2.14 -0.27 1 
         98 ASP -0.99  0.04 1 
         99 LEU  0.72  0.46 1 
        100 TRP -4.06  0.10 1 
        101 VAL -1.48  0.90 1 
        102 VAL -2.96  0.43 1 
        103 GLU -4.38  1.03 1 
        104 ILE -5.26  0.85 1 
        105 GLU -2.50  0.45 1 
        106 THR  1.17  0.07 1 
        107 ASP  1.21 -0.01 1 
        108 GLU -3.09  0.17 1 
        109 ILE -1.10 -0.32 1 
        111 THR  0.63 -0.10 1 
        112 LEU  0.65 -0.45 1 
        113 LEU -5.21 -0.01 1 
        114 THR  2.59 -0.27 1 
        115 LEU -3.07  0.65 1 
        116 VAL  0.13  0.02 1 
        117 ASP -0.64 -0.08 1 
        118 GLN -0.58 -0.11 1 
        120 GLN -0.30 -0.17 1 
        121 ALA  0.19 -0.34 1 
    stop_

save_


save_LACS_CACB_CO_output
    _LACS_plot.Sf_category                LACS_output 
    _LACS.plot.Input_file_name            bmr16476_21.str 
    _LACS_plot.X_coord_name               CA-CB 
    _LACS_plot.Y_coord_name               CO 
    _LACS_plot.Line_1_terminator_val_x_1  -8.29 
    _LACS_plot.Line_1_terminator_val_y_1  -3.23 
    _LACS_plot.Line_1_terminator_val_x_2  2.00 
    _LACS_plot.Line_1_terminator_val_y_2  0.64 
    _LACS_plot.Line_2_terminator_val_x_1  -2.00 
    _LACS_plot.Line_2_terminator_val_y_1  -0.90 
    _LACS_plot.Line_2_terminator_val_x_2  6.94 
    _LACS_plot.Line_2_terminator_val_y_2  2.34 
    _LACS_plot.Y_axis_chem_shift_offset   0.14 

    loop_
        _LACS.Comp_index_ID 
        _LACS.Comp_ID 
        _LACS.X_coord_val 
        _LACS.Y_coord_val 
        _LACS.Designator 

         96 ASP -1.63  3.17 0 
         20 PHE  5.34  5.17 0 
         88 LEU  3.98 -2.68 0 
         10 MET  2.10  1.87 1 
         11 PHE  5.15  1.80 1 
         12 VAL  6.81  0.37 1 
         13 SER  4.79  2.35 1 
         14 ALA  3.77  1.35 1 
         15 LEU  3.74  0.02 1 
         16 ILE  5.87  1.31 1 
         17 ARG  4.82  3.58 1 
         18 ARG  4.18  0.33 1 
         19 VAL  6.95  1.01 1 
         21 ALA  3.57  0.63 1 
         22 ALA -0.32 -0.14 1 
         25 PHE -4.49 -3.38 1 
         26 ALA -8.29 -3.96 1 
         27 ALA -4.82 -2.26 1 
         28 VAL  2.90 -0.75 1 
         29 GLU  0.47 -0.42 1 
         30 LYS -3.87 -2.37 1 
         31 LYS  0.60 -1.43 1 
         33 ALA  0.25  3.23 1 
         34 GLU  4.56  0.54 1 
         35 ALA  3.53  2.46 1 
         36 ALA -1.66 -0.33 1 
         39 ILE -1.14 -3.65 1 
         40 PHE -3.51 -0.24 1 
         41 VAL -4.13 -2.07 1 
         42 ARG -4.46 -3.10 1 
         43 GLN -5.22 -1.72 1 
         44 ARG -0.01 -0.88 1 
         45 LEU -0.94  2.29 1 
         46 ARG  3.98  0.81 1 
         47 ASP  0.17  0.82 1 
         49 ARG -0.42 -2.10 1 
         50 GLU -7.29 -1.01 1 
         51 ASN -5.66 -1.64 1 
         52 LEU -6.11 -3.39 1 
         53 TYR -3.25 -0.43 1 
         58 GLN -0.60 -0.63 1 
         59 SER -0.58 -0.53 1 
         60 PHE -0.00 -0.36 1 
         61 ALA -0.37  1.49 1 
         62 ASP  0.05 -0.23 1 
         63 ASP  0.81  0.32 1 
         64 GLU  0.49  0.05 1 
         65 ASP  0.65  1.16 1 
         66 ILE  2.22  0.40 1 
         67 MET  1.61  0.42 1 
         68 ARG  0.17 -0.77 1 
         69 ALA -1.51 -0.95 1 
         70 GLU -1.54 -0.27 1 
         71 ARG  0.97 -0.88 1 
         72 ARG -4.35 -1.25 1 
         73 PHE -4.17 -2.64 1 
         74 GLU -7.12 -1.04 1 
         75 THR  4.66  0.36 1 
         76 ARG -0.17  0.27 1 
         77 LEU -5.79 -3.09 1 
         78 ALA -4.15 -1.46 1 
         80 VAL -4.24 -1.09 1 
         81 GLU -1.61  2.36 1 
         83 GLU  3.70  2.45 1 
         84 GLU  3.04  3.08 1 
         85 ILE  4.92  0.91 1 
         86 ALA  3.77  2.54 1 
         87 ALA  3.42  2.47 1 
         89 LEU  3.30  1.25 1 
         90 GLU  3.95  2.14 1 
         91 ARG  4.72  2.62 1 
         92 GLU  3.89  3.65 1 
         93 ARG  2.32  1.29 1 
         94 ARG  3.79  1.69 1 
         95 PHE  0.39 -0.07 1 
         97 SER  2.14  0.95 1 
         98 ASP -0.99 -0.75 1 
         99 LEU  0.72 -1.38 1 
        100 TRP -4.06  0.64 1 
        101 VAL -1.48 -0.48 1 
        102 VAL -2.96 -2.91 1 
        103 GLU -4.38 -1.54 1 
        104 ILE -5.26 -2.67 1 
        105 GLU -2.50 -1.77 1 
        106 THR  1.17 -2.52 1 
        107 ASP  1.21 -0.09 1 
        108 GLU -3.09 -1.26 1 
        109 ILE -1.10 -0.08 1 
        111 THR  0.63  0.72 1 
        112 LEU  0.65 -1.88 1 
        113 LEU -5.21 -2.04 1 
        114 THR  2.59 -1.58 1 
        115 LEU -3.07  0.89 1 
        116 VAL  0.13 -0.66 1 
        117 ASP -0.64 -0.69 1 
        120 GLN -0.30 -1.25 1 
    stop_

save_