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            bmr18650_21.str 
    _LACS_plot.X_coord_name               CA-CB 
    _LACS_plot.Y_coord_name               CA 
    _LACS_plot.Line_1_terminator_val_x_1  -1.52 
    _LACS_plot.Line_1_terminator_val_y_1  -0.84 
    _LACS_plot.Line_1_terminator_val_x_2  2.00 
    _LACS_plot.Line_1_terminator_val_y_2  0.48 
    _LACS_plot.Line_2_terminator_val_x_1  -2.00 
    _LACS_plot.Line_2_terminator_val_y_1  -1.67 
    _LACS_plot.Line_2_terminator_val_x_2  5.57 
    _LACS_plot.Line_2_terminator_val_y_2  3.66 
    _LACS_plot.Y_axis_chem_shift_offset   0.26 

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

        50 ASN -0.94 -2.28 0 
        20 HIS -0.60  0.84 0 
        65 HIS -0.36  1.20 0 
        11 GLU -0.41 -0.20 1 
        13 THR -0.49 -0.34 1 
        14 LEU  1.60  0.80 1 
        15 SER  1.99  1.23 1 
        16 GLU  1.77  1.19 1 
        17 ALA  1.88  1.09 1 
        18 LEU  1.50  0.70 1 
        19 LEU  1.39  0.80 1 
        21 LEU -0.34 -0.41 1 
        22 GLN  0.02 -0.29 1 
        23 PHE -1.34 -0.79 1 
        24 ASP  1.99  2.59 1 
        25 ALA  1.04  0.72 1 
        26 ASP -0.08 -0.34 1 
        27 GLU -0.28 -0.12 1 
        28 ASP -1.52 -0.94 1 
        29 LEU  1.13  0.45 1 
        31 ALA  2.05  0.98 1 
        32 LEU  1.32  0.60 1 
        33 LEU  0.52 -0.13 1 
        35 ASN  0.29 -0.18 1 
        37 THR  0.15 -0.36 1 
        38 ASP -0.61 -0.28 1 
        41 VAL  0.27 -0.29 1 
        42 PHE  0.50 -0.14 1 
        43 THR  0.61  0.22 1 
        44 ASP -0.72 -0.55 1 
        45 LEU  2.15  1.09 1 
        46 ALA  2.73  1.73 1 
        47 SER  0.17 -0.27 1 
        48 VAL  0.93  0.06 1 
        49 ASP -1.28 -1.88 1 
        51 SER  5.57  3.85 1 
        52 GLU  3.14  2.14 1 
        53 PHE  4.22  3.79 1 
        54 GLN  4.33  3.04 1 
        55 GLN  3.75  2.30 1 
        56 LEU  3.40  2.04 1 
        57 LEU  2.35  1.04 1 
        58 ASN  1.00  0.38 1 
        59 GLN  1.29  0.64 1 
        61 VAL  0.02 -0.34 1 
        62 SER  0.12 -0.37 1 
        63 MET  0.01 -0.27 1 
        64 SER  0.11 -0.30 1 
        66 SER  0.13 -0.20 1 
        67 THR  0.12 -0.37 1 
        68 ALA -0.55 -0.56 1 
        69 GLU -0.63 -0.38 1 
    stop_

save_


save_LACS_CACB_CB_output
    _LACS_plot.Sf_category                LACS_output 
    _LACS.plot.Input_file_name            bmr18650_21.str 
    _LACS_plot.X_coord_name               CA-CB 
    _LACS_plot.Y_coord_name               CB 
    _LACS_plot.Line_1_terminator_val_x_1  -1.52 
    _LACS_plot.Line_1_terminator_val_y_1  0.68 
    _LACS_plot.Line_1_terminator_val_x_2  2.00 
    _LACS_plot.Line_1_terminator_val_y_2  -1.52 
    _LACS_plot.Line_2_terminator_val_x_1  -2.00 
    _LACS_plot.Line_2_terminator_val_y_1  0.33 
    _LACS_plot.Line_2_terminator_val_x_2  5.57 
    _LACS_plot.Line_2_terminator_val_y_2  -1.91 
    _LACS_plot.Y_axis_chem_shift_offset   0.26 

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

        50 ASN -0.94 -1.34 0 
        20 HIS -0.60  1.44 0 
        65 HIS -0.36  1.56 0 
        11 GLU -0.41  0.21 1 
        13 THR -0.49  0.15 1 
        14 LEU  1.60 -0.80 1 
        15 SER  1.99 -0.76 1 
        16 GLU  1.77 -0.58 1 
        17 ALA  1.88 -0.79 1 
        18 LEU  1.50 -0.80 1 
        19 LEU  1.39 -0.59 1 
        21 LEU -0.34 -0.07 1 
        22 GLN  0.02 -0.31 1 
        23 PHE -1.34  0.55 1 
        24 ASP  1.99  0.60 1 
        25 ALA  1.04 -0.32 1 
        26 ASP -0.08 -0.26 1 
        27 GLU -0.28  0.16 1 
        28 ASP -1.52  0.58 1 
        29 LEU  1.13 -0.68 1 
        31 ALA  2.05 -1.07 1 
        32 LEU  1.32 -0.72 1 
        33 LEU  0.52 -0.65 1 
        35 ASN  0.29 -0.47 1 
        37 THR  0.15 -0.51 1 
        38 ASP -0.61  0.33 1 
        41 VAL  0.27 -0.56 1 
        42 PHE  0.50 -0.64 1 
        43 THR  0.61 -0.39 1 
        44 ASP -0.72  0.17 1 
        45 LEU  2.15 -1.06 1 
        46 ALA  2.73 -1.00 1 
        47 SER  0.17 -0.44 1 
        48 VAL  0.93 -0.87 1 
        49 ASP -1.28 -0.60 1 
        51 SER  5.57 -1.72 1 
        52 GLU  3.14 -1.00 1 
        53 PHE  4.22 -0.43 1 
        54 GLN  4.33 -1.29 1 
        55 GLN  3.75 -1.45 1 
        56 LEU  3.40 -1.36 1 
        57 LEU  2.35 -1.31 1 
        58 ASN  1.00 -0.62 1 
        59 GLN  1.29 -0.65 1 
        61 VAL  0.02 -0.36 1 
        62 SER  0.12 -0.49 1 
        63 MET  0.01 -0.28 1 
        64 SER  0.11 -0.41 1 
        66 SER  0.13 -0.33 1 
        67 THR  0.12 -0.49 1 
        68 ALA -0.55 -0.01 1 
        69 GLU -0.63  0.25 1 
    stop_

save_


save_LACS_CACB_HA_output
    _LACS_plot.Sf_category                LACS_output 
    _LACS.plot.Input_file_name            bmr18650_21.str 
    _LACS_plot.X_coord_name               CA-CB 
    _LACS_plot.Y_coord_name               HA 
    _LACS_plot.Line_1_terminator_val_x_1  -1.52 
    _LACS_plot.Line_1_terminator_val_y_1  0.10 
    _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  0.14 
    _LACS_plot.Line_2_terminator_val_x_2  5.57 
    _LACS_plot.Line_2_terminator_val_y_2  -0.59 
    _LACS_plot.Y_axis_chem_shift_offset   0.05 

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

        50 ASN -0.94  0.49 0 
        51 SER  5.57 -0.36 0 
        11 GLU -0.41 -0.05 1 
        13 THR -0.49  0.03 1 
        14 LEU  1.60 -0.08 1 
        15 SER  1.99 -0.28 1 
        16 GLU  1.77 -0.26 1 
        17 ALA  1.88 -0.15 1 
        18 LEU  1.50 -0.18 1 
        19 LEU  1.39 -0.22 1 
        20 HIS -0.60 -0.06 1 
        21 LEU -0.34 -0.10 1 
        22 GLN  0.02  0.03 1 
        23 PHE -1.34  0.07 1 
        24 ASP  1.99 -0.43 1 
        25 ALA  1.04  0.01 1 
        26 ASP -0.08  0.04 1 
        27 GLU -0.28 -0.14 1 
        28 ASP -1.52  0.07 1 
        29 LEU  1.13 -0.50 1 
        31 ALA  2.05 -0.11 1 
        32 LEU  1.32 -0.22 1 
        33 LEU  0.52 -0.17 1 
        35 ASN  0.29  0.01 1 
        37 THR  0.15 -0.04 1 
        38 ASP -0.61 -0.07 1 
        41 VAL  0.27 -0.06 1 
        42 PHE  0.50 -0.04 1 
        43 THR  0.61 -0.16 1 
        44 ASP -0.72 -0.04 1 
        45 LEU  2.15 -0.41 1 
        46 ALA  2.73 -0.34 1 
        47 SER  0.17 -0.09 1 
        48 VAL  0.93 -0.36 1 
        49 ASP -1.28  0.31 1 
        52 GLU  3.14 -0.17 1 
        53 PHE  4.22 -0.55 1 
        54 GLN  4.33 -0.64 1 
        55 GLN  3.75 -0.34 1 
        56 LEU  3.40 -0.40 1 
        57 LEU  2.35 -0.59 1 
        58 ASN  1.00 -0.12 1 
        59 GLN  1.29 -0.09 1 
        61 VAL  0.02  0.03 1 
        62 SER  0.12 -0.02 1 
        63 MET  0.01  0.03 1 
        64 SER  0.11 -0.07 1 
        65 HIS -0.36 -0.11 1 
        66 SER  0.13  0.03 1 
        67 THR  0.12  0.00 1 
        68 ALA -0.55  0.01 1 
        69 GLU -0.63 -0.08 1 
    stop_

save_