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 bmr5971_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CA
_LACS_plot.Line_1_terminator_val_x_1 -6.44
_LACS_plot.Line_1_terminator_val_y_1 -2.41
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 0.91
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -1.14
_LACS_plot.Line_2_terminator_val_x_2 5.10
_LACS_plot.Line_2_terminator_val_y_2 3.45
_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
97 HIS -3.61 1.97 0
10 THR -0.13 -0.26 1
11 TYR -2.84 -2.03 1
12 THR -0.62 -0.35 1
13 VAL 1.52 0.81 1
15 ASP 0.03 0.97 1
16 LYS 3.16 2.63 1
17 THR 0.76 1.38 1
18 LYS -0.35 -0.73 1
19 PHE -1.36 0.95 1
20 THR -4.22 -1.80 1
21 TRP -0.27 -0.09 1
22 LYS 1.65 1.88 1
23 ARG -1.86 0.22 1
24 ALA 2.68 0.50 1
26 THR -3.25 -1.00 1
27 ASP -0.57 0.56 1
28 SER -1.86 0.22 1
30 HIS 1.54 -0.72 1
31 ASP 4.00 1.80 1
32 THR -4.80 -2.61 1
33 VAL -1.78 -1.30 1
34 VAL -6.44 -4.16 1
35 MET -2.83 -0.98 1
36 GLU -6.25 -1.79 1
37 VAL -4.42 -2.90 1
39 PHE -5.36 -0.87 1
40 SER -1.32 -1.25 1
42 THR 3.04 2.49 1
43 ARG -2.45 -0.55 1
46 ARG -1.24 -0.49 1
47 ILE 0.98 2.18 1
49 VAL -4.12 -3.33 1
50 ARG -3.25 -1.26 1
51 ALA -6.30 -0.60 1
52 VAL -5.21 -3.29 1
53 ALA -1.90 -1.08 1
54 HIS 2.77 2.95 1
56 VAL 0.17 -0.05 1
58 GLU 2.12 1.56 1
59 VAL -1.22 -0.24 1
60 ASN -0.32 -0.57 1
61 VAL -1.05 -1.89 1
62 ALA 0.52 0.69 1
63 MET -1.04 -1.22 1
64 LEU 2.21 0.93 1
65 ILE 1.23 0.10 1
66 THR -3.84 -2.93 1
68 ASN 0.91 1.61 1
70 THR -3.99 -1.12 1
71 MET 0.86 -2.09 1
72 GLU -4.51 -2.57 1
73 ASN 5.10 3.89 1
74 ASN -0.69 -0.56 1
78 PHE 0.12 0.48 1
79 ILE -4.30 -0.92 1
80 GLU -5.70 -2.95 1
81 MET -6.25 -1.28 1
82 GLN -3.91 -1.15 1
83 LEU -4.25 -1.64 1
87 ASP 0.51 1.02 1
88 ASN -6.36 -0.44 1
89 ILE -0.44 0.80 1
90 ILE -1.65 0.45 1
91 TYR -3.78 -1.13 1
92 VAL 0.88 -0.79 1
94 ASP 1.03 1.18 1
95 LEU 0.98 0.53 1
96 ASN -5.93 -1.42 1
98 GLN 1.39 1.13 1
99 TRP -3.89 -0.28 1
100 PHE -0.53 -1.21 1
101 GLN -2.92 -2.75 1
102 LYS 0.58 0.58 1
104 SER -0.40 -0.11 1
105 SER 0.20 0.17 1
106 ILE 0.50 0.34 1
108 ARG 0.60 1.37 1
stop_
save_
save_LACS_CACB_CB_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr5971_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CB
_LACS_plot.Line_1_terminator_val_x_1 -6.44
_LACS_plot.Line_1_terminator_val_y_1 4.03
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -1.09
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 0.86
_LACS_plot.Line_2_terminator_val_x_2 5.10
_LACS_plot.Line_2_terminator_val_y_2 -1.65
_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
97 HIS -3.61 5.58 0
10 THR -0.13 -0.13 1
11 TYR -2.84 0.81 1
12 THR -0.62 0.27 1
13 VAL 1.52 -0.71 1
15 ASP 0.03 0.94 1
16 LYS 3.16 -0.53 1
17 THR 0.76 0.62 1
18 LYS -0.35 -0.38 1
19 PHE -1.36 2.31 1
20 THR -4.22 2.42 1
21 TRP -0.27 0.18 1
22 LYS 1.65 0.23 1
23 ARG -1.86 2.08 1
24 ALA 2.68 -2.18 1
26 THR -3.25 2.25 1
27 ASP -0.57 1.13 1
28 SER -1.86 2.08 1
30 HIS 1.54 -2.26 1
31 ASP 4.00 -2.20 1
32 THR -4.80 2.19 1
33 VAL -1.78 0.48 1
34 VAL -6.44 2.28 1
35 MET -2.83 1.85 1
36 GLU -6.25 4.46 1
37 VAL -4.42 1.52 1
39 PHE -5.36 4.49 1
40 SER -1.32 0.07 1
42 THR 3.04 -0.55 1
43 ARG -2.45 1.90 1
46 ARG -1.24 0.75 1
47 ILE 0.98 1.20 1
49 VAL -4.12 0.79 1
50 ARG -3.25 1.99 1
51 ALA -6.30 5.70 1
52 VAL -5.21 1.92 1
53 ALA -1.90 0.82 1
54 HIS 2.77 0.18 1
56 VAL 0.17 -0.22 1
58 GLU 2.12 -0.56 1
59 VAL -1.22 0.98 1
60 ASN -0.32 -0.25 1
61 VAL -1.05 -0.84 1
62 ALA 0.52 0.17 1
63 MET -1.04 -0.18 1
64 LEU 2.21 -1.28 1
65 ILE 1.23 -1.13 1
66 THR -3.84 0.91 1
68 ASN 0.91 0.70 1
70 THR -3.99 2.87 1
71 MET 0.86 -2.95 1
72 GLU -4.51 1.94 1
73 ASN 5.10 -1.21 1
74 ASN -0.69 0.13 1
78 PHE 0.12 0.36 1
79 ILE -4.30 3.38 1
80 GLU -5.70 2.75 1
81 MET -6.25 4.97 1
82 GLN -3.91 2.76 1
83 LEU -4.25 2.61 1
87 ASP 0.51 0.51 1
88 ASN -6.36 5.92 1
89 ILE -0.44 1.24 1
90 ILE -1.65 2.10 1
91 TYR -3.78 2.65 1
92 VAL 0.88 -1.67 1
94 ASP 1.03 0.15 1
95 LEU 0.98 -0.45 1
96 ASN -5.93 4.51 1
98 GLN 1.39 -0.26 1
99 TRP -3.89 3.61 1
100 PHE -0.53 -0.68 1
101 GLN -2.92 0.17 1
102 LYS 0.58 0.00 1
104 SER -0.40 0.29 1
105 SER 0.20 -0.03 1
106 ILE 0.50 -0.16 1
108 ARG 0.60 0.77 1
stop_
save_
save_LACS_CACB_HA_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr5971_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name HA
_LACS_plot.Line_1_terminator_val_x_1 -6.44
_LACS_plot.Line_1_terminator_val_y_1 0.85
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -0.14
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 0.26
_LACS_plot.Line_2_terminator_val_x_2 5.10
_LACS_plot.Line_2_terminator_val_y_2 -0.38
_LACS_plot.Y_axis_chem_shift_offset -0.09
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
51 ALA -6.30 1.31 0
73 ASN 5.10 -0.42 0
96 ASN -5.93 1.42 0
43 ARG -2.45 -0.48 0
10 THR -0.13 -0.06 1
11 TYR -2.84 0.24 1
12 THR -0.62 0.02 1
13 VAL 1.52 0.16 1
15 ASP 0.03 -0.23 1
16 LYS 3.16 -0.09 1
17 THR 0.76 0.31 1
18 LYS -0.35 0.18 1
19 PHE -1.36 0.96 1
20 THR -4.22 0.03 1
21 TRP -0.27 0.26 1
22 LYS 1.65 0.17 1
23 ARG -1.86 0.15 1
26 THR -3.25 0.28 1
27 ASP -0.57 0.06 1
28 SER -1.86 -0.46 1
30 HIS 1.54 0.29 1
31 ASP 4.00 -0.17 1
32 THR -4.80 0.53 1
33 VAL -1.78 0.30 1
34 VAL -6.44 1.07 1
35 MET -2.83 -0.15 1
36 GLU -6.25 1.28 1
37 VAL -4.42 1.22 1
39 PHE -5.36 0.64 1
42 THR 3.04 -0.29 1
46 ARG -1.24 0.13 1
49 VAL -4.12 1.10 1
50 ARG -3.25 0.28 1
52 VAL -5.21 1.04 1
53 ALA -1.90 0.56 1
54 HIS 2.77 -0.62 1
56 VAL 0.17 0.18 1
58 GLU 2.12 -0.18 1
59 VAL -1.22 0.08 1
60 ASN -0.32 0.70 1
61 VAL -1.05 0.37 1
62 ALA 0.52 -0.19 1
63 MET -1.04 0.23 1
64 LEU 2.21 -0.17 1
65 ILE 1.23 -0.17 1
66 THR -3.84 0.05 1
68 ASN 0.91 -0.52 1
70 THR -3.99 0.61 1
71 MET 0.86 0.59 1
72 GLU -4.51 0.35 1
74 ASN -0.69 0.10 1
78 PHE 0.12 0.48 1
79 ILE -4.30 0.14 1
80 GLU -5.70 0.95 1
81 MET -6.25 0.87 1
82 GLN -3.91 0.59 1
87 ASP 0.51 0.10 1
88 ASN -6.36 1.07 1
89 ILE -0.44 0.29 1
90 ILE -1.65 -0.04 1
91 TYR -3.78 0.94 1
92 VAL 0.88 -0.18 1
94 ASP 1.03 0.06 1
95 LEU 0.98 -0.14 1
97 HIS -3.61 -0.19 1
98 GLN 1.39 0.28 1
99 TRP -3.89 0.12 1
100 PHE -0.53 0.15 1
101 GLN -2.92 -0.09 1
102 LYS 0.58 -0.21 1
104 SER -0.40 0.04 1
105 SER 0.20 0.02 1
106 ILE 0.50 0.02 1
stop_
save_
save_LACS_CACB_CO_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr5971_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CO
_LACS_plot.Line_1_terminator_val_x_1 -6.44
_LACS_plot.Line_1_terminator_val_y_1 -1.70
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -0.01
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -0.80
_LACS_plot.Line_2_terminator_val_x_2 5.10
_LACS_plot.Line_2_terminator_val_y_2 0.59
_LACS_plot.Y_axis_chem_shift_offset 0.41
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
79 ILE -4.30 -4.09 0
35 MET -2.83 -4.17 0
81 MET -6.25 -4.30 0
10 THR -0.13 -0.46 1
11 TYR -2.84 0.51 1
12 THR -0.62 -0.71 1
13 VAL 1.52 0.32 1
15 ASP 0.03 1.14 1
16 LYS 3.16 0.95 1
17 THR 0.76 2.15 1
18 LYS -0.35 -1.37 1
19 PHE -1.36 -0.33 1
20 THR -4.22 -0.07 1
21 TRP -0.27 0.73 1
22 LYS 1.65 0.53 1
23 ARG -1.86 -1.79 1
26 THR -3.25 -2.82 1
27 ASP -0.57 1.37 1
28 SER -1.86 0.79 1
30 HIS 1.54 -0.46 1
31 ASP 4.00 -0.84 1
32 THR -4.80 -2.46 1
33 VAL -1.78 -1.17 1
34 VAL -6.44 -1.76 1
36 GLU -6.25 -0.02 1
37 VAL -4.42 -0.59 1
39 PHE -5.36 -0.64 1
42 THR 3.04 -1.23 1
46 ARG -1.24 -1.46 1
49 VAL -4.12 -2.70 1
50 ARG -3.25 -3.80 1
51 ALA -6.30 -2.59 1
52 VAL -5.21 -1.68 1
53 ALA -1.90 0.89 1
54 HIS 2.77 2.00 1
58 GLU 2.12 -0.22 1
59 VAL -1.22 -1.25 1
60 ASN -0.32 1.51 1
61 VAL -1.05 -0.27 1
62 ALA 0.52 -0.53 1
63 MET -1.04 -0.46 1
64 LEU 2.21 -1.12 1
65 ILE 1.23 1.16 1
70 THR -3.99 -0.49 1
71 MET 0.86 -0.70 1
72 GLU -4.51 0.20 1
73 ASN 5.10 0.88 1
74 ASN -0.69 -0.48 1
78 PHE 0.12 -0.92 1
80 GLU -5.70 -1.04 1
82 GLN -3.91 -1.70 1
87 ASP 0.51 -1.22 1
88 ASN -6.36 -0.50 1
89 ILE -0.44 -1.56 1
90 ILE -1.65 -2.17 1
91 TYR -3.78 -0.23 1
92 VAL 0.88 -1.11 1
94 ASP 1.03 1.33 1
95 LEU 0.98 -1.74 1
96 ASN -5.93 0.13 1
97 HIS -3.61 0.00 1
98 GLN 1.39 -0.44 1
99 TRP -3.89 -2.95 1
100 PHE -0.53 -2.76 1
101 GLN -2.92 -1.27 1
102 LYS 0.58 -0.61 1
104 SER -0.40 0.27 1
105 SER 0.20 -0.11 1
106 ILE 0.50 0.33 1
stop_
save_