data_LACS
#################################
# LACS Output Information #
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############################################################
# 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 bmr6102_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CA
_LACS_plot.Line_1_terminator_val_x_1 -8.50
_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 -0.24
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -2.06
_LACS_plot.Line_2_terminator_val_x_2 6.50
_LACS_plot.Line_2_terminator_val_y_2 4.27
_LACS_plot.Y_axis_chem_shift_offset 0.70
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
78 HIS -8.50 -2.30 0
23 MET 0.80 0.00 1
24 LYS 1.30 0.50 1
25 THR 2.50 0.60 1
26 LYS 3.00 0.00 1
27 LEU 1.70 0.40 1
28 ASN 1.30 0.50 1
29 GLU -1.00 -0.90 1
30 LEU -0.00 -1.30 1
31 LEU -1.30 -1.00 1
32 GLU 0.00 1.00 1
37 PHE -3.10 0.50 1
38 THR -0.30 -1.10 1
39 TYR -3.00 -1.20 1
40 LYS -2.30 -2.10 1
41 VAL -2.10 -1.70 1
42 MET -3.60 -2.70 1
44 GLN -0.20 0.40 1
45 ALA 1.60 -0.30 1
48 GLU 2.40 0.80 1
49 LEU 5.10 3.00 1
50 VAL 5.20 3.40 1
51 ASP 3.20 2.00 1
52 GLN 3.10 2.60 1
53 VAL 4.50 3.10 1
54 VAL 5.50 3.90 1
55 GLU 2.50 2.00 1
56 VAL 4.80 3.40 1
57 VAL 5.60 3.40 1
58 GLN 2.70 1.60 1
59 ARG 2.30 1.60 1
60 HIS -3.20 0.50 1
64 ASP -2.40 -2.10 1
65 TYR -5.00 -1.10 1
68 THR -0.50 -1.50 1
69 VAL -2.50 -2.20 1
73 SER 0.60 -0.90 1
74 LYS -1.20 -1.40 1
76 ASN 0.90 -0.90 1
77 TYR -4.60 -2.80 1
79 SER -2.80 -3.00 1
80 VAL -4.00 -2.70 1
81 SER -1.70 -2.70 1
83 THR -0.90 -1.40 1
84 ILE -5.70 -3.60 1
85 ASN -0.20 -1.40 1
86 ALA -3.00 -1.90 1
87 THR 0.00 -0.70 1
88 HIS -2.10 -0.90 1
89 ILE 1.10 0.20 1
90 GLU 4.90 2.70 1
91 GLN 2.20 1.40 1
92 VAL 2.10 0.50 1
93 GLU 2.20 2.20 1
94 THR 6.50 3.70 1
95 LEU 5.40 2.20 1
96 TYR 6.00 5.30 1
97 GLU 1.60 1.20 1
98 GLU 1.90 1.60 1
99 LEU 1.80 1.50 1
101 LYS -0.80 -0.70 1
102 ILE 2.70 0.50 1
103 ASP 4.20 2.80 1
104 ILE 1.00 -0.50 1
105 VAL 0.10 0.10 1
106 ARG -2.20 -1.30 1
107 MET -3.60 -0.80 1
108 VAL -2.10 -1.40 1
stop_
save_
save_LACS_CACB_CB_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr6102_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CB
_LACS_plot.Line_1_terminator_val_x_1 -8.50
_LACS_plot.Line_1_terminator_val_y_1 5.24
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -2.24
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -0.06
_LACS_plot.Line_2_terminator_val_x_2 6.50
_LACS_plot.Line_2_terminator_val_y_2 -2.23
_LACS_plot.Y_axis_chem_shift_offset 0.70
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
78 HIS -8.50 6.20 0
23 MET 0.80 -0.80 1
24 LYS 1.30 -0.80 1
25 THR 2.50 -1.90 1
26 LYS 3.00 -3.00 1
27 LEU 1.70 -1.30 1
28 ASN 1.30 -0.80 1
29 GLU -1.00 0.10 1
30 LEU -0.00 -1.30 1
31 LEU -1.30 0.30 1
32 GLU 0.00 1.00 1
37 PHE -3.10 3.60 1
38 THR -0.30 -0.80 1
39 TYR -3.00 1.80 1
40 LYS -2.30 0.20 1
41 VAL -2.10 0.40 1
42 MET -3.60 0.90 1
44 GLN -0.20 0.60 1
45 ALA 1.60 -1.90 1
48 GLU 2.40 -1.60 1
49 LEU 5.10 -2.10 1
50 VAL 5.20 -1.80 1
51 ASP 3.20 -1.20 1
52 GLN 3.10 -0.50 1
53 VAL 4.50 -1.40 1
54 VAL 5.50 -1.60 1
55 GLU 2.50 -0.50 1
56 VAL 4.80 -1.40 1
57 VAL 5.60 -2.20 1
58 GLN 2.70 -1.10 1
59 ARG 2.30 -0.70 1
60 HIS -3.20 3.70 1
64 ASP -2.40 0.30 1
65 TYR -5.00 3.90 1
68 THR -0.50 -1.00 1
69 VAL -2.50 0.30 1
73 SER 0.60 -1.50 1
74 LYS -1.20 -0.20 1
76 ASN 0.90 -1.80 1
77 TYR -4.60 1.80 1
79 SER -2.80 -0.20 1
80 VAL -4.00 1.30 1
81 SER -1.70 -1.00 1
83 THR -0.90 -0.50 1
84 ILE -5.70 2.10 1
85 ASN -0.20 -1.20 1
86 ALA -3.00 1.10 1
87 THR 0.00 -0.70 1
88 HIS -2.10 1.20 1
89 ILE 1.10 -0.90 1
90 GLU 4.90 -2.20 1
91 GLN 2.20 -0.80 1
92 VAL 2.10 -1.60 1
93 GLU 2.20 0.00 1
94 THR 6.50 -2.80 1
95 LEU 5.40 -3.20 1
96 TYR 6.00 -0.70 1
97 GLU 1.60 -0.40 1
98 GLU 1.90 -0.30 1
99 LEU 1.80 -0.30 1
101 LYS -0.80 0.10 1
102 ILE 2.70 -2.20 1
103 ASP 4.20 -1.40 1
104 ILE 1.00 -1.50 1
105 VAL 0.10 0.00 1
106 ARG -2.20 0.90 1
107 MET -3.60 2.80 1
108 VAL -2.10 0.70 1
stop_
save_
save_LACS_CACB_HA_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr6102_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name HA
_LACS_plot.Line_1_terminator_val_x_1 -8.50
_LACS_plot.Line_1_terminator_val_y_1 0.86
_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 0.18
_LACS_plot.Line_2_terminator_val_x_2 6.50
_LACS_plot.Line_2_terminator_val_y_2 -0.76
_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
88 HIS -2.10 -1.36 0
30 LEU -0.00 -0.11 1
31 LEU -1.30 -0.06 1
32 GLU 0.00 -0.42 1
37 PHE -3.10 -0.28 1
38 THR -0.30 0.66 1
39 TYR -3.00 -0.05 1
41 VAL -2.10 0.31 1
42 MET -3.60 1.11 1
44 GLN -0.20 -0.19 1
45 ALA 1.60 -1.52 1
48 GLU 2.40 -0.07 1
49 LEU 5.10 -0.08 1
50 VAL 5.20 -0.75 1
51 ASP 3.20 -0.38 1
52 GLN 3.10 -0.26 1
53 VAL 4.50 -0.81 1
54 VAL 5.50 -1.04 1
55 GLU 2.50 -0.38 1
56 VAL 4.80 -0.66 1
57 VAL 5.60 -0.62 1
58 GLN 2.70 -0.21 1
59 ARG 2.30 -0.49 1
60 HIS -3.20 -0.08 1
64 ASP -2.40 0.16 1
65 TYR -5.00 0.18 1
68 THR -0.50 0.19 1
69 VAL -2.50 0.66 1
74 LYS -1.20 -0.07 1
77 TYR -4.60 0.48 1
78 HIS -8.50 0.48 1
79 SER -2.80 1.02 1
80 VAL -4.00 0.65 1
81 SER -1.70 1.30 1
83 THR -0.90 0.87 1
84 ILE -5.70 0.63 1
85 ASN -0.20 0.10 1
86 ALA -3.00 0.47 1
87 THR 0.00 0.06 1
89 ILE 1.10 -0.44 1
90 GLU 4.90 -0.28 1
91 GLN 2.20 -0.52 1
92 VAL 2.10 -0.47 1
93 GLU 2.20 -0.28 1
94 THR 6.50 -0.38 1
95 LEU 5.40 -0.84 1
96 TYR 6.00 -0.59 1
97 GLU 1.60 -0.40 1
98 GLU 1.90 -0.50 1
99 LEU 1.80 -0.34 1
101 LYS -0.80 -0.17 1
102 ILE 2.70 -0.34 1
103 ASP 4.20 -0.43 1
104 ILE 1.00 0.25 1
105 VAL 0.10 -0.17 1
106 ARG -2.20 0.18 1
107 MET -3.60 0.20 1
108 VAL -2.10 0.63 1
stop_
save_