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 bmr6989_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CA
_LACS_plot.Line_1_terminator_val_x_1 -6.79
_LACS_plot.Line_1_terminator_val_y_1 -2.86
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 0.93
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -1.47
_LACS_plot.Line_2_terminator_val_x_2 9.01
_LACS_plot.Line_2_terminator_val_y_2 7.00
_LACS_plot.Y_axis_chem_shift_offset -0.07
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
77 SER 1.25 4.58 0
10 ASP -1.11 0.63 1
11 ASN -1.58 -1.76 1
13 ILE 3.95 2.41 1
14 LEU -0.05 -1.89 1
15 LYS 3.80 -0.03 1
16 ARG -4.42 -2.81 1
17 LYS -3.94 -2.22 1
18 GLU -1.88 -1.37 1
19 ILE -5.55 -1.60 1
20 LYS -3.15 -1.35 1
21 TYR -6.79 -2.71 1
22 VAL -3.65 -1.04 1
23 LEU -5.77 -1.96 1
24 LYS -2.31 -0.85 1
25 PHE -3.80 -2.56 1
26 ASP -1.16 -0.53 1
27 SER -0.62 -0.20 1
28 SER 1.70 1.40 1
29 ARG -1.40 -1.01 1
30 THR 0.60 0.74 1
32 SER -3.71 -1.47 1
33 ARG 5.12 4.41 1
34 GLU 3.91 3.26 1
35 GLU 3.02 2.87 1
36 ILE 5.76 5.25 1
37 LYS 4.02 3.95 1
38 GLU 3.32 2.98 1
39 LEU 2.81 2.85 1
40 ILE 5.65 4.21 1
41 ALA 4.43 2.93 1
42 LYS 3.48 2.64 1
43 HIS 4.87 5.40 1
44 GLU -2.09 -1.17 1
46 VAL -6.41 -3.75 1
47 ASP -0.70 0.18 1
48 LYS 4.46 3.27 1
49 GLU 2.77 1.68 1
50 LEU 1.24 -0.69 1
51 VAL 0.62 -0.07 1
52 ILE -2.33 -2.92 1
53 VAL 0.12 0.03 1
54 ASP -1.18 0.46 1
55 ASN 1.11 1.38 1
56 ASN 0.31 0.50 1
57 LYS -1.10 -0.69 1
58 GLN -1.99 -0.73 1
59 LEU 0.07 -0.23 1
60 THR 2.04 1.25 1
62 LYS 0.32 0.71 1
63 HIS 0.31 -0.59 1
64 GLU -5.66 -1.17 1
65 ILE -6.30 -1.73 1
66 GLU -5.90 -2.50 1
68 TYR -5.73 -2.16 1
69 THR -4.58 -2.03 1
70 LYS -5.26 -1.98 1
71 ILE -2.61 -1.24 1
72 TYR -0.61 2.65 1
73 ALA 0.66 1.68 1
74 ASP -2.81 -1.68 1
75 LYS 9.01 6.57 1
78 ALA 4.25 2.31 1
79 MET 2.53 1.92 1
80 LEU 1.46 1.62 1
81 TYR 0.13 0.54 1
82 GLU -0.98 -1.37 1
84 ASP 0.19 -0.22 1
86 GLU 0.45 0.77 1
87 LEU 0.69 0.51 1
88 ILE 0.32 0.12 1
89 ARG 0.40 0.00 1
90 ASN -0.41 1.67 1
92 LEU 0.49 0.36 1
93 LYS 0.63 0.40 1
94 GLN 0.12 0.32 1
95 LYS 0.95 0.78 1
96 GLU -0.50 -0.10 1
97 ALA 0.06 0.08 1
98 LYS 0.34 0.35 1
stop_
save_
save_LACS_CACB_CB_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr6989_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CB
_LACS_plot.Line_1_terminator_val_x_1 -6.79
_LACS_plot.Line_1_terminator_val_y_1 3.93
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -1.07
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 0.53
_LACS_plot.Line_2_terminator_val_x_2 9.01
_LACS_plot.Line_2_terminator_val_y_2 -2.01
_LACS_plot.Y_axis_chem_shift_offset -0.07
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
77 SER 1.25 3.33 0
10 ASP -1.11 1.74 1
11 ASN -1.58 -0.18 1
13 ILE 3.95 -1.54 1
14 LEU -0.05 -1.84 1
15 LYS 3.80 -3.83 1
16 ARG -4.42 1.61 1
17 LYS -3.94 1.72 1
18 GLU -1.88 0.51 1
19 ILE -5.55 3.95 1
20 LYS -3.15 1.80 1
21 TYR -6.79 4.08 1
22 VAL -3.65 2.61 1
23 LEU -5.77 3.81 1
24 LYS -2.31 1.46 1
25 PHE -3.80 1.24 1
26 ASP -1.16 0.63 1
27 SER -0.62 0.42 1
28 SER 1.70 -0.30 1
29 ARG -1.40 0.39 1
30 THR 0.60 0.14 1
32 SER -3.71 2.24 1
33 ARG 5.12 -0.71 1
34 GLU 3.91 -0.65 1
35 GLU 3.02 -0.15 1
36 ILE 5.76 -0.51 1
37 LYS 4.02 -0.07 1
38 GLU 3.32 -0.34 1
39 LEU 2.81 0.04 1
40 ILE 5.65 -1.44 1
41 ALA 4.43 -1.50 1
42 LYS 3.48 -0.84 1
43 HIS 4.87 0.53 1
44 GLU -2.09 0.92 1
46 VAL -6.41 2.66 1
47 ASP -0.70 0.88 1
48 LYS 4.46 -1.19 1
49 GLU 2.77 -1.09 1
50 LEU 1.24 -1.93 1
51 VAL 0.62 -0.69 1
52 ILE -2.33 -0.59 1
53 VAL 0.12 -0.09 1
54 ASP -1.18 1.64 1
55 ASN 1.11 0.27 1
56 ASN 0.31 0.19 1
57 LYS -1.10 0.41 1
58 GLN -1.99 1.26 1
59 LEU 0.07 -0.30 1
60 THR 2.04 -0.79 1
62 LYS 0.32 0.39 1
63 HIS 0.31 -0.90 1
64 GLU -5.66 4.49 1
65 ILE -6.30 4.57 1
66 GLU -5.90 3.40 1
68 TYR -5.73 3.57 1
69 THR -4.58 2.55 1
70 LYS -5.26 3.28 1
71 ILE -2.61 1.37 1
72 TYR -0.61 3.26 1
73 ALA 0.66 1.02 1
74 ASP -2.81 1.13 1
75 LYS 9.01 -2.44 1
78 ALA 4.25 -1.94 1
79 MET 2.53 -0.61 1
80 LEU 1.46 0.16 1
81 TYR 0.13 0.41 1
82 GLU -0.98 -0.39 1
84 ASP 0.19 -0.41 1
86 GLU 0.45 0.32 1
87 LEU 0.69 -0.18 1
88 ILE 0.32 -0.20 1
89 ARG 0.40 -0.40 1
90 ASN -0.41 2.08 1
92 LEU 0.49 -0.13 1
93 LYS 0.63 -0.23 1
94 GLN 0.12 0.20 1
95 LYS 0.95 -0.17 1
96 GLU -0.50 0.40 1
97 ALA 0.06 0.02 1
98 LYS 0.34 0.01 1
stop_
save_
save_LACS_CACB_HA_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr6989_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name HA
_LACS_plot.Line_1_terminator_val_x_1 -6.79
_LACS_plot.Line_1_terminator_val_y_1 1.11
_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 0.38
_LACS_plot.Line_2_terminator_val_x_2 9.01
_LACS_plot.Line_2_terminator_val_y_2 -1.31
_LACS_plot.Y_axis_chem_shift_offset -0.07
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
78 ALA 4.25 -2.07 0
10 ASP -1.11 0.12 1
11 ASN -1.58 0.14 1
13 ILE 3.95 -0.27 1
14 LEU -0.05 -0.36 1
15 LYS 3.80 -0.56 1
16 ARG -4.42 0.86 1
17 LYS -3.94 0.70 1
18 GLU -1.88 0.41 1
19 ILE -5.55 1.03 1
20 LYS -3.15 0.86 1
21 TYR -6.79 1.11 1
22 VAL -3.65 0.84 1
23 LEU -5.77 1.17 1
24 LYS -2.31 0.86 1
25 PHE -3.80 0.85 1
26 ASP -1.16 0.01 1
27 SER -0.62 -0.01 1
28 SER 1.70 -0.02 1
29 ARG -1.40 0.18 1
30 THR 0.60 -0.38 1
32 SER -3.71 -0.04 1
33 ARG 5.12 0.45 1
34 GLU 3.91 -0.45 1
35 GLU 3.02 -0.37 1
36 ILE 5.76 -0.88 1
37 LYS 4.02 -0.80 1
38 GLU 3.32 -0.45 1
39 LEU 2.81 -0.19 1
40 ILE 5.65 -0.82 1
41 ALA 4.43 -0.50 1
42 LYS 3.48 -0.18 1
43 HIS 4.87 -0.63 1
44 GLU -2.09 -0.11 1
46 VAL -6.41 0.61 1
47 ASP -0.70 -0.20 1
48 LYS 4.46 -0.44 1
49 GLU 2.77 -0.10 1
50 LEU 1.24 0.03 1
51 VAL 0.62 0.26 1
52 ILE -2.33 0.41 1
53 VAL 0.12 0.16 1
54 ASP -1.18 0.17 1
55 ASN 1.11 -0.07 1
56 ASN 0.31 0.11 1
57 LYS -1.10 0.36 1
58 GLN -1.99 0.43 1
59 LEU 0.07 0.45 1
60 THR 2.04 -0.22 1
62 LYS 0.32 -0.13 1
63 HIS 0.31 -0.77 1
64 GLU -5.66 1.06 1
65 ILE -6.30 0.98 1
66 GLU -5.90 0.82 1
68 TYR -5.73 1.29 1
69 THR -4.58 0.90 1
70 LYS -5.26 0.93 1
71 ILE -2.61 0.88 1
72 TYR -0.61 0.16 1
73 ALA 0.66 -0.18 1
74 ASP -2.81 -0.12 1
75 LYS 9.01 -0.62 1
77 SER 1.25 -0.43 1
79 MET 2.53 -0.73 1
80 LEU 1.46 -0.40 1
81 TYR 0.13 0.25 1
82 GLU -0.98 0.33 1
84 ASP 0.19 0.01 1
87 LEU 0.69 -0.30 1
88 ILE 0.32 -0.01 1
89 ARG 0.40 -0.01 1
90 ASN -0.41 -0.23 1
92 LEU 0.49 -0.01 1
93 LYS 0.63 0.47 1
94 GLN 0.12 -0.10 1
95 LYS 0.95 -0.05 1
96 GLU -0.50 -0.09 1
97 ALA 0.06 0.03 1
98 LYS 0.34 0.03 1
stop_
save_
save_LACS_CACB_CO_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr6989_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CO
_LACS_plot.Line_1_terminator_val_x_1 -6.79
_LACS_plot.Line_1_terminator_val_y_1 -2.35
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 0.47
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -0.77
_LACS_plot.Line_2_terminator_val_x_2 5.75
_LACS_plot.Line_2_terminator_val_y_2 1.60
_LACS_plot.Y_axis_chem_shift_offset 0.17
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
14 LEU -0.05 -5.00 0
10 ASP -1.11 -1.12 1
13 ILE 3.95 0.17 1
15 LYS 3.80 -2.04 1
16 ARG -4.42 -2.50 1
17 LYS -3.94 -0.46 1
18 GLU -1.88 -0.70 1
19 ILE -5.55 -1.94 1
20 LYS -3.15 -1.26 1
21 TYR -6.79 -3.27 1
22 VAL -3.65 -2.53 1
23 LEU -5.77 -2.39 1
24 LYS -2.31 -1.08 1
25 PHE -3.80 -2.05 1
26 ASP -1.16 0.07 1
27 SER -0.62 -0.63 1
28 SER 1.70 0.01 1
29 ARG -1.40 0.35 1
32 SER -3.71 0.17 1
33 ARG 5.12 2.00 1
34 GLU 3.91 2.26 1
35 GLU 3.02 3.13 1
36 ILE 5.76 0.48 1
37 LYS 4.02 1.06 1
38 GLU 3.32 1.88 1
39 LEU 2.81 2.41 1
40 ILE 5.65 -0.77 1
41 ALA 4.43 2.12 1
42 LYS 3.48 2.81 1
43 HIS 4.87 3.22 1
44 GLU -2.09 -0.34 1
46 VAL -6.41 -1.96 1
47 ASP -0.70 1.50 1
48 LYS 4.46 0.48 1
49 GLU 2.77 1.03 1
50 LEU 1.24 -2.29 1
51 VAL 0.62 -1.72 1
52 ILE -2.33 -0.16 1
53 VAL 0.12 -1.10 1
54 ASP -1.18 0.28 1
55 ASN 1.11 0.14 1
56 ASN 0.31 -0.72 1
57 LYS -1.10 -1.80 1
58 GLN -1.99 -0.64 1
59 LEU 0.07 -0.47 1
60 THR 2.04 0.40 1
62 LYS 0.32 -0.10 1
63 HIS 0.31 -1.10 1
64 GLU -5.66 -2.09 1
65 ILE -6.30 -2.58 1
66 GLU -5.90 -1.11 1
68 TYR -5.73 -0.06 1
69 THR -4.58 -3.78 1
70 LYS -5.26 -1.89 1
71 ILE -2.61 0.96 1
72 TYR -0.61 0.00 1
73 ALA 0.66 -0.06 1
74 ASP -2.81 -2.16 1
77 SER 1.25 -0.33 1
78 ALA 4.25 0.31 1
79 MET 2.53 1.40 1
80 LEU 1.46 1.73 1
81 TYR 0.13 0.16 1
86 GLU 0.45 1.58 1
87 LEU 0.69 -0.33 1
88 ILE 0.32 -0.35 1
89 ARG 0.40 -1.34 1
90 ASN -0.41 1.04 1
92 LEU 0.49 0.16 1
93 LYS 0.63 -1.92 1
94 GLN 0.12 0.09 1
95 LYS 0.95 -0.11 1
96 GLU -0.50 -0.54 1
97 ALA 0.06 -0.24 1
stop_
save_