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            bmr4719_21.str 
    _LACS_plot.X_coord_name               CA-CB 
    _LACS_plot.Y_coord_name               CA 
    _LACS_plot.Line_1_terminator_val_x_1  -7.21 
    _LACS_plot.Line_1_terminator_val_y_1  -2.49 
    _LACS_plot.Line_1_terminator_val_x_2  2.00 
    _LACS_plot.Line_1_terminator_val_y_2  0.56 
    _LACS_plot.Line_2_terminator_val_x_1  -2.00 
    _LACS_plot.Line_2_terminator_val_y_1  -1.68 
    _LACS_plot.Line_2_terminator_val_x_2  6.88 
    _LACS_plot.Line_2_terminator_val_y_2  5.49 
    _LACS_plot.Y_axis_chem_shift_offset   0.08 

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

         37 LEU  6.79  1.45 0 
         10 ARG  5.24  4.17 1 
         11 ARG  4.37  3.43 1 
         12 LYS  3.95  3.27 1 
         13 LEU  2.38  2.16 1 
         14 ALA  4.23  2.90 1 
         15 ASP  3.71  3.34 1 
         16 ILE  5.08  4.44 1 
         17 ILE  5.21  5.18 1 
         18 HIS  3.82  5.17 1 
         19 HIS  4.04  5.04 1 
         20 TRP  4.31  5.05 1 
         21 ASN  2.82  2.59 1 
         22 ALA  1.38  0.91 1 
         23 ASN -2.38 -0.66 1 
         24 ARG  0.68 -0.09 1 
         25 LEU  1.55  1.04 1 
         27 LEU  2.12  1.07 1 
         30 ILE -0.59  0.20 1 
         31 SER  0.05  0.74 1 
         32 GLN  0.63 -0.02 1 
         34 THR -2.25 -0.98 1 
         35 GLU  3.76  2.97 1 
         36 ASP  0.13 -0.68 1 
         38 GLU -0.88 -0.43 1 
         39 PHE -2.96 -2.22 1 
         40 HIS -4.82  0.20 1 
         42 VAL  2.72  0.61 1 
         43 MET  1.04 -0.05 1 
         44 ARG -2.50 -1.06 1 
         45 PHE -4.22 -0.47 1 
         46 TYR -3.02 -1.12 1 
         47 PHE -2.85 -1.54 1 
         48 GLN -1.10 -0.33 1 
         49 ASP -2.02 -1.13 1 
         50 LYS  2.40  1.85 1 
         51 ALA  1.62  1.13 1 
         52 ALA -0.84 -0.31 1 
         54 ASN -1.83 -0.91 1 
         55 PHE -1.43 -0.40 1 
         56 ALA -3.69 -1.12 1 
         57 THR -4.48 -2.18 1 
         58 LYS -5.36 -1.63 1 
         60 ILE -5.60 -2.07 1 
         61 ARG  1.49  0.82 1 
         62 VAL -2.83 -0.74 1 
         63 SER -1.89 -1.81 1 
         64 SER  6.50  2.91 1 
         65 THR  0.35 -0.34 1 
         66 ALA -0.54 -0.42 1 
         67 THR -4.32 -1.68 1 
         68 THR  5.89  5.07 1 
         69 GLN  4.22  3.48 1 
         70 ASP  3.61  3.28 1 
         71 VAL  5.89  4.51 1 
         72 ILE  6.89  5.95 1 
         73 GLU  3.92  3.03 1 
         74 THR  5.96  4.52 1 
         75 LEU  2.36  2.16 1 
         76 ALA  3.71  2.54 1 
         77 GLU  1.81  1.46 1 
         78 LYS  1.75  0.72 1 
         79 PHE  1.30  0.77 1 
         80 ARG  3.84  2.77 1 
         82 ASP  0.18  0.35 1 
         83 MET  0.17  0.12 1 
         84 ARG  1.59  0.81 1 
         85 MET  0.55  0.10 1 
         86 LEU  0.42  0.29 1 
         87 SER -0.48 -0.51 1 
         88 SER  0.07  0.17 1 
         90 LYS -1.43 -1.15 1 
         91 TYR -3.98 -0.85 1 
         92 SER -4.01 -0.70 1 
         93 LEU -5.13 -1.59 1 
         94 TYR -4.26 -1.60 1 
         95 GLU -4.48 -2.60 1 
         96 VAL -0.35  0.53 1 
         97 HIS -5.38 -1.33 1 
         98 VAL  5.73  3.64 1 
         99 SER  0.02 -0.28 1 
        101 GLU -7.21 -2.86 1 
        102 ARG -4.44 -0.42 1 
        103 ARG  0.62 -0.03 1 
        104 LEU  1.89  1.56 1 
        105 ASP -1.40 -0.20 1 
        106 ILE  3.11  3.30 1 
        107 ASP -0.66 -1.03 1 
        108 GLU -0.50  1.17 1 
        109 LYS -0.04 -1.54 1 
        111 LEU  2.59  2.53 1 
        112 VAL  5.15  3.70 1 
        113 VAL  6.24  4.13 1 
        114 GLN  1.64  2.04 1 
        115 LEU  2.14  1.29 1 
        116 ASN  0.61  0.48 1 
        117 TRP -2.07 -1.72 1 
        118 ASN -0.17  1.78 1 
        123 GLU  0.07 -1.10 1 
        125 ARG -5.69 -2.34 1 
        126 PHE -2.86 -0.09 1 
        127 VAL -4.80 -1.73 1 
        128 LEU -3.16 -1.30 1 
        129 LYS -3.76 -0.89 1 
        130 ASN -0.95 -0.87 1 
        131 GLU  0.08  0.19 1 
        132 ASN  0.73  0.28 1 
        133 ASP  0.20  0.12 1 
        134 ALA -0.35 -0.29 1 
        135 ILE  0.24 -0.08 1 
        137 ALA -0.32 -0.26 1 
        138 LYS -0.22 -0.14 1 
        139 LYS -0.28 -0.20 1 
        140 ALA -0.09 -0.02 1 
        141 GLN  0.64  1.56 1 
    stop_

save_


save_LACS_CACB_CB_output
    _LACS_plot.Sf_category                LACS_output 
    _LACS.plot.Input_file_name            bmr4719_21.str 
    _LACS_plot.X_coord_name               CA-CB 
    _LACS_plot.Y_coord_name               CB 
    _LACS_plot.Line_1_terminator_val_x_1  -7.21 
    _LACS_plot.Line_1_terminator_val_y_1  4.72 
    _LACS_plot.Line_1_terminator_val_x_2  2.00 
    _LACS_plot.Line_1_terminator_val_y_2  -1.44 
    _LACS_plot.Line_2_terminator_val_x_1  -2.00 
    _LACS_plot.Line_2_terminator_val_y_1  0.32 
    _LACS_plot.Line_2_terminator_val_x_2  6.88 
    _LACS_plot.Line_2_terminator_val_y_2  -1.39 
    _LACS_plot.Y_axis_chem_shift_offset   0.08 

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

         37 LEU  6.79 -5.34 0 
         10 ARG  5.24 -1.07 1 
         11 ARG  4.37 -0.94 1 
         12 LYS  3.95 -0.68 1 
         13 LEU  2.38 -0.22 1 
         14 ALA  4.23 -1.33 1 
         15 ASP  3.71 -0.37 1 
         16 ILE  5.08 -0.64 1 
         17 ILE  5.21 -0.03 1 
         18 HIS  3.82  1.35 1 
         19 HIS  4.04  1.00 1 
         20 TRP  4.31  0.74 1 
         21 ASN  2.82 -0.23 1 
         22 ALA  1.38 -0.47 1 
         23 ASN -2.38  1.72 1 
         24 ARG  0.68 -0.77 1 
         25 LEU  1.55 -0.51 1 
         27 LEU  2.12 -1.05 1 
         30 ILE -0.59  0.79 1 
         31 SER  0.05  0.69 1 
         32 GLN  0.63 -0.65 1 
         34 THR -2.25  1.27 1 
         35 GLU  3.76 -0.79 1 
         36 ASP  0.13 -0.81 1 
         38 GLU -0.88  0.45 1 
         39 PHE -2.96  0.74 1 
         40 HIS -4.82  5.02 1 
         42 VAL  2.72 -2.11 1 
         43 MET  1.04 -1.09 1 
         44 ARG -2.50  1.44 1 
         45 PHE -4.22  3.75 1 
         46 TYR -3.02  1.90 1 
         47 PHE -2.85  1.31 1 
         48 GLN -1.10  0.77 1 
         49 ASP -2.02  0.89 1 
         50 LYS  2.40 -0.55 1 
         51 ALA  1.62 -0.49 1 
         52 ALA -0.84  0.53 1 
         54 ASN -1.83  0.92 1 
         55 PHE -1.43  1.03 1 
         56 ALA -3.69  2.57 1 
         57 THR -4.48  2.30 1 
         58 LYS -5.36  3.73 1 
         60 ILE -5.60  3.53 1 
         61 ARG  1.49 -0.67 1 
         62 VAL -2.83  2.09 1 
         63 SER -1.89  0.08 1 
         64 SER  6.50 -3.59 1 
         65 THR  0.35 -0.69 1 
         66 ALA -0.54  0.12 1 
         67 THR -4.32  2.64 1 
         68 THR  5.89 -0.82 1 
         69 GLN  4.22 -0.74 1 
         70 ASP  3.61 -0.33 1 
         71 VAL  5.89 -1.38 1 
         72 ILE  6.89 -0.94 1 
         73 GLU  3.92 -0.89 1 
         74 THR  5.96 -1.44 1 
         75 LEU  2.36 -0.20 1 
         76 ALA  3.71 -1.17 1 
         77 GLU  1.81 -0.35 1 
         78 LYS  1.75 -1.03 1 
         79 PHE  1.30 -0.53 1 
         80 ARG  3.84 -1.07 1 
         82 ASP  0.18  0.17 1 
         83 MET  0.17 -0.05 1 
         84 ARG  1.59 -0.78 1 
         85 MET  0.55 -0.45 1 
         86 LEU  0.42 -0.13 1 
         87 SER -0.48 -0.03 1 
         88 SER  0.07  0.10 1 
         90 LYS -1.43  0.28 1 
         91 TYR -3.98  3.13 1 
         92 SER -4.01  3.31 1 
         93 LEU -5.13  3.54 1 
         94 TYR -4.26  2.66 1 
         95 GLU -4.48  1.88 1 
         96 VAL -0.35  0.88 1 
         97 HIS -5.38  4.05 1 
         98 VAL  5.73 -2.09 1 
         99 SER  0.02 -0.30 1 
        101 GLU -7.21  4.35 1 
        102 ARG -4.44  4.02 1 
        103 ARG  0.62 -0.65 1 
        104 LEU  1.89 -0.33 1 
        105 ASP -1.40  1.20 1 
        106 ILE  3.11  0.19 1 
        107 ASP -0.66 -0.37 1 
        108 GLU -0.50  1.67 1 
        109 LYS -0.04 -1.50 1 
        111 LEU  2.59 -0.06 1 
        112 VAL  5.15 -1.45 1 
        113 VAL  6.24 -2.11 1 
        114 GLN  1.64  0.40 1 
        115 LEU  2.14 -0.85 1 
        116 ASN  0.61 -0.13 1 
        117 TRP -2.07  0.35 1 
        118 ASN -0.17  1.95 1 
        123 GLU  0.07 -1.17 1 
        125 ARG -5.69  3.35 1 
        126 PHE -2.86  2.77 1 
        127 VAL -4.80  3.07 1 
        128 LEU -3.16  1.86 1 
        129 LYS -3.76  2.87 1 
        130 ASN -0.95  0.08 1 
        131 GLU  0.08  0.11 1 
        132 ASN  0.73 -0.45 1 
        133 ASP  0.20 -0.08 1 
        134 ALA -0.35  0.06 1 
        135 ILE  0.24 -0.32 1 
        137 ALA -0.32  0.06 1 
        138 LYS -0.22  0.08 1 
        139 LYS -0.28  0.08 1 
        140 ALA -0.09  0.07 1 
        141 GLN  0.64  0.92 1 
    stop_

save_


save_LACS_CACB_HA_output
    _LACS_plot.Sf_category                LACS_output 
    _LACS.plot.Input_file_name            bmr4719_21.str 
    _LACS_plot.X_coord_name               CA-CB 
    _LACS_plot.Y_coord_name               HA 
    _LACS_plot.Line_1_terminator_val_x_1  -7.21 
    _LACS_plot.Line_1_terminator_val_y_1  0.92 
    _LACS_plot.Line_1_terminator_val_x_2  2.00 
    _LACS_plot.Line_1_terminator_val_y_2  -0.20 
    _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  6.88 
    _LACS_plot.Line_2_terminator_val_y_2  -0.79 
    _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 

         27 LEU  2.12 -1.26 0 
         10 ARG  5.24 -0.62 1 
         11 ARG  4.37 -0.40 1 
         12 LYS  3.95 -0.22 1 
         13 LEU  2.38 -0.24 1 
         14 ALA  4.23 -0.56 1 
         15 ASP  3.71 -0.04 1 
         16 ILE  5.08 -0.28 1 
         17 ILE  5.21 -0.65 1 
         18 HIS  3.82 -0.28 1 
         19 HIS  4.04 -0.45 1 
         20 TRP  4.31 -0.74 1 
         21 ASN  2.82 -0.24 1 
         22 ALA  1.38 -0.12 1 
         23 ASN -2.38  0.14 1 
         24 ARG  0.68 -0.71 1 
         25 LEU  1.55 -0.68 1 
         30 ILE -0.59  0.50 1 
         31 SER  0.05 -0.22 1 
         32 GLN  0.63 -0.37 1 
         34 THR -2.25  0.25 1 
         35 GLU  3.76 -0.38 1 
         36 ASP  0.13  0.05 1 
         37 LEU  6.79 -0.70 1 
         38 GLU -0.88 -0.25 1 
         39 PHE -2.96  0.02 1 
         40 HIS -4.82  0.74 1 
         42 VAL  2.72  0.13 1 
         43 MET  1.04  0.08 1 
         44 ARG -2.50  0.45 1 
         45 PHE -4.22  0.68 1 
         46 TYR -3.02  0.78 1 
         47 PHE -2.85  0.55 1 
         48 GLN -1.10 -0.18 1 
         49 ASP -2.02 -0.08 1 
         50 LYS  2.40 -0.27 1 
         51 ALA  1.62 -0.13 1 
         52 ALA -0.84 -0.06 1 
         54 ASN -1.83  0.11 1 
         55 PHE -1.43  0.60 1 
         56 ALA -3.69  0.51 1 
         57 THR -4.48  1.32 1 
         58 LYS -5.36  0.30 1 
         60 ILE -5.60  0.46 1 
         61 ARG  1.49 -0.09 1 
         62 VAL -2.83  0.11 1 
         63 SER -1.89  0.36 1 
         64 SER  6.50 -1.07 1 
         65 THR  0.35 -0.28 1 
         66 ALA -0.54  0.17 1 
         67 THR -4.32  0.78 1 
         68 THR  5.89 -0.91 1 
         70 ASP  3.61 -0.36 1 
         71 VAL  5.89 -0.76 1 
         72 ILE  6.89 -0.93 1 
         73 GLU  3.92 -0.37 1 
         74 THR  5.96 -0.41 1 
         75 LEU  2.36  0.01 1 
         76 ALA  3.71 -0.61 1 
         77 GLU  1.81 -0.28 1 
         78 LYS  1.75 -0.28 1 
         79 PHE  1.30  0.05 1 
         80 ARG  3.84 -0.22 1 
         82 ASP  0.18 -0.04 1 
         83 MET  0.17  0.02 1 
         84 ARG  1.59 -0.06 1 
         85 MET  0.55 -0.01 1 
         86 LEU  0.42 -0.01 1 
         87 SER -0.48 -0.02 1 
         88 SER  0.07 -0.28 1 
         90 LYS -1.43  0.06 1 
         91 TYR -3.98  0.98 1 
         92 SER -4.01  0.21 1 
         93 LEU -5.13  1.07 1 
         94 TYR -4.26  0.87 1 
         95 GLU -4.48  0.64 1 
         96 VAL -0.35  0.20 1 
         97 HIS -5.38  0.03 1 
         98 VAL  5.73 -0.33 1 
         99 SER  0.02 -0.07 1 
        101 GLU -7.21  1.32 1 
        102 ARG -4.44  0.38 1 
        103 ARG  0.62 -0.83 1 
        104 LEU  1.89  0.05 1 
        105 ASP -1.40  0.15 1 
        106 ILE  3.11 -0.26 1 
        107 ASP -0.66  0.10 1 
        108 GLU -0.50 -0.10 1 
        109 LYS -0.04  0.73 1 
        111 LEU  2.59 -0.42 1 
        112 VAL  5.15 -0.67 1 
        113 VAL  6.24 -0.59 1 
        114 GLN  1.64 -0.38 1 
        115 LEU  2.14  0.01 1 
        116 ASN  0.61 -0.17 1 
        117 TRP -2.07  0.46 1 
        118 ASN -0.17 -0.31 1 
        125 ARG -5.69  0.68 1 
        126 PHE -2.86  1.13 1 
        127 VAL -4.80  1.02 1 
        128 LEU -3.16  0.98 1 
        129 LYS -3.76  0.73 1 
        130 ASN -0.95  0.19 1 
        131 GLU  0.08  0.03 1 
        132 ASN  0.73 -0.02 1 
        133 ASP  0.20 -0.06 1 
        134 ALA -0.35 -0.05 1 
        135 ILE  0.24 -0.03 1 
        137 ALA -0.32  0.01 1 
        138 LYS -0.22 -0.06 1 
        139 LYS -0.28 -0.02 1 
        140 ALA -0.09  0.06 1 
        141 GLN  0.64 -0.18 1 
    stop_

save_


save_LACS_CACB_CO_output
    _LACS_plot.Sf_category                LACS_output 
    _LACS.plot.Input_file_name            bmr4719_21.str 
    _LACS_plot.X_coord_name               CA-CB 
    _LACS_plot.Y_coord_name               CO 
    _LACS_plot.Line_1_terminator_val_x_1  -7.21 
    _LACS_plot.Line_1_terminator_val_y_1  -2.45 
    _LACS_plot.Line_1_terminator_val_x_2  2.00 
    _LACS_plot.Line_1_terminator_val_y_2  0.77 
    _LACS_plot.Line_2_terminator_val_x_1  -2.00 
    _LACS_plot.Line_2_terminator_val_y_1  -0.65 
    _LACS_plot.Line_2_terminator_val_x_2  6.88 
    _LACS_plot.Line_2_terminator_val_y_2  2.28 
    _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 

         37 LEU  6.79 -3.21 0 
         10 ARG  5.24  1.42 1 
         11 ARG  4.37  2.73 1 
         12 LYS  3.95  3.03 1 
         13 LEU  2.38  0.59 1 
         14 ALA  4.23  2.39 1 
         15 ASP  3.71  2.82 1 
         16 ILE  5.08  3.48 1 
         17 ILE  5.21  1.17 1 
         18 HIS  3.82  5.07 1 
         19 HIS  4.04  3.97 1 
         20 TRP  4.31  3.18 1 
         21 ASN  2.82  3.17 1 
         22 ALA  1.38 -0.08 1 
         23 ASN -2.38 -0.55 1 
         24 ARG  0.68 -1.67 1 
         25 LEU  1.55 -0.38 1 
         30 ILE -0.59  0.27 1 
         31 SER  0.05 -3.01 1 
         34 THR -2.25  2.31 1 
         35 GLU  3.76  0.01 1 
         36 ASP  0.13 -1.08 1 
         38 GLU -0.88 -1.50 1 
         39 PHE -2.96 -3.43 1 
         40 HIS -4.82  0.26 1 
         42 VAL  2.72 -0.64 1 
         43 MET  1.04 -3.52 1 
         44 ARG -2.50 -2.03 1 
         45 PHE -4.22 -0.98 1 
         46 TYR -3.02 -0.88 1 
         47 PHE -2.85 -1.38 1 
         48 GLN -1.10 -2.68 1 
         49 ASP -2.02  0.19 1 
         50 LYS  2.40  0.76 1 
         51 ALA  1.62  0.76 1 
         52 ALA -0.84  0.51 1 
         54 ASN -1.83 -0.90 1 
         55 PHE -1.43 -0.08 1 
         56 ALA -3.69 -1.05 1 
         57 THR -4.48 -0.08 1 
         58 LYS -5.36 -1.66 1 
         60 ILE -5.60 -2.62 1 
         61 ARG  1.49 -1.25 1 
         62 VAL -2.83 -1.96 1 
         63 SER -1.89  2.12 1 
         64 SER  6.50 -0.70 1 
         65 THR  0.35  0.30 1 
         66 ALA -0.54 -0.24 1 
         67 THR -4.32  2.00 1 
         69 GLN  4.22  1.43 1 
         70 ASP  3.61  3.02 1 
         71 VAL  5.89  1.27 1 
         72 ILE  6.89  0.85 1 
         73 GLU  3.92  3.33 1 
         74 THR  5.96  2.11 1 
         75 LEU  2.36  0.67 1 
         76 ALA  3.71  1.84 1 
         77 GLU  1.81  1.76 1 
         78 LYS  1.75  1.67 1 
         79 PHE  1.30  0.05 1 
         82 ASP  0.18  0.25 1 
         83 MET  0.17  0.16 1 
         84 ARG  1.59  0.28 1 
         85 MET  0.55 -0.13 1 
         86 LEU  0.42 -0.41 1 
         87 SER -0.48  1.74 1 
         90 LYS -1.43 -1.36 1 
         91 TYR -3.98  0.54 1 
         92 SER -4.01 -3.40 1 
         93 LEU -5.13 -3.51 1 
         94 TYR -4.26  0.32 1 
         95 GLU -4.48 -1.26 1 
         96 VAL -0.35 -2.00 1 
         98 VAL  5.73  1.06 1 
         99 SER  0.02 -0.16 1 
        101 GLU -7.21 -0.97 1 
        102 ARG -4.44 -2.39 1 
        103 ARG  0.62 -0.43 1 
        104 LEU  1.89  0.42 1 
        105 ASP -1.40  3.05 1 
        106 ILE  3.11 -1.19 1 
        107 ASP -0.66  1.19 1 
        108 GLU -0.50 -1.66 1 
        111 LEU  2.59  0.98 1 
        112 VAL  5.15  2.01 1 
        113 VAL  6.24  1.77 1 
        114 GLN  1.64  1.97 1 
        115 LEU  2.14 -1.44 1 
        116 ASN  0.61  1.18 1 
        117 TRP -2.07 -1.10 1 
        123 GLU  0.07 -0.14 1 
        125 ARG -5.69 -1.82 1 
        126 PHE -2.86 -0.20 1 
        127 VAL -4.80 -1.35 1 
        128 LEU -3.16 -2.36 1 
        129 LYS -3.76 -0.85 1 
        130 ASN -0.95  0.87 1 
        131 GLU  0.08  0.09 1 
        132 ASN  0.73  0.11 1 
        133 ASP  0.20 -0.41 1 
        134 ALA -0.35 -0.32 1 
        137 ALA -0.32  0.05 1 
        138 LYS -0.22 -0.24 1 
        139 LYS -0.28 -0.51 1 
        140 ALA -0.09 -1.17 1 
    stop_

save_