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 bmr16945_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CA
_LACS_plot.Line_1_terminator_val_x_1 -5.40
_LACS_plot.Line_1_terminator_val_y_1 -1.63
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 0.40
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -1.40
_LACS_plot.Line_2_terminator_val_x_2 8.02
_LACS_plot.Line_2_terminator_val_y_2 6.16
_LACS_plot.Y_axis_chem_shift_offset 0.02
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
57 PHE -5.40 -1.43 0
10 ASP 4.38 2.91 1
11 ILE 5.45 5.24 1
12 ALA 4.00 2.83 1
13 ALA 3.79 2.63 1
14 ALA 3.78 2.59 1
15 LEU 3.04 2.35 1
16 ARG 4.09 3.35 1
17 ASP 0.58 2.72 1
19 GLN 3.93 3.75 1
20 ALA -0.02 -0.33 1
22 ASP 7.33 4.66 1
23 SER -0.45 0.86 1
24 PHE 1.03 1.63 1
25 SER -3.78 -3.15 1
27 LYS 5.04 3.57 1
28 LYS 4.06 3.00 1
29 PHE 4.21 4.44 1
30 PHE 3.43 0.95 1
31 GLN 3.69 2.95 1
32 ILE 4.22 4.18 1
33 SER 2.90 2.60 1
35 MET 3.10 4.95 1
36 SER 2.99 2.63 1
37 LYS -0.81 -0.93 1
38 LYS -0.84 -2.52 1
39 SER -3.13 -1.18 1
40 SER 5.55 4.05 1
41 SER 5.48 3.78 1
42 GLN 3.30 3.38 1
43 LEU 3.65 2.94 1
44 LYS 4.64 3.49 1
45 GLU 3.75 2.80 1
46 ILE 5.75 4.82 1
47 PHE 6.29 5.25 1
48 ARG 3.90 3.31 1
49 ILE 3.56 2.94 1
50 LEU 2.22 1.41 1
51 ASP 0.82 -1.74 1
52 ASN 3.09 3.12 1
53 ASP 0.53 -1.40 1
54 GLN 4.29 1.16 1
55 SER 0.00 0.84 1
58 ILE -1.11 -0.34 1
59 GLU -2.22 -1.04 1
60 GLU 4.80 4.36 1
61 ASP 3.22 2.86 1
62 GLU -0.16 0.46 1
63 LEU 2.57 2.00 1
64 LYS 4.23 2.18 1
65 TYR 1.29 0.17 1
66 PHE 2.82 5.13 1
67 LEU 3.84 2.52 1
68 GLN 3.12 0.88 1
69 ARG 2.74 0.04 1
70 PHE 2.40 2.08 1
71 GLU -3.11 0.07 1
72 SER 4.33 3.35 1
74 ALA -2.49 -0.59 1
75 ARG -0.92 -1.13 1
76 VAL -0.45 -0.45 1
77 LEU -0.23 -0.07 1
78 THR -2.49 -1.14 1
79 ALA 3.99 2.84 1
80 SER 4.38 3.07 1
81 GLU 1.15 2.68 1
82 THR 8.02 5.72 1
83 LYS 4.24 3.44 1
84 THR 5.63 4.48 1
85 PHE 1.87 1.28 1
86 LEU 3.79 3.40 1
87 ALA 2.65 1.83 1
88 ALA 1.47 1.08 1
89 ALA -3.16 0.05 1
90 ASP 0.57 -0.23 1
91 HIS 0.79 1.30 1
92 ASP 0.90 0.54 1
94 ASP -0.25 -0.61 1
96 LYS -4.25 -1.71 1
97 ILE -2.18 -0.32 1
99 ALA 3.69 3.19 1
100 GLU 4.59 3.20 1
101 GLU 3.03 2.95 1
102 PHE 3.89 4.22 1
103 GLN 4.29 4.11 1
104 GLU 2.80 2.38 1
105 MET 3.96 3.01 1
106 VAL 4.33 2.75 1
107 GLN 1.23 1.03 1
108 SER 1.50 2.65 1
stop_
save_
save_LACS_CACB_CB_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr16945_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CB
_LACS_plot.Line_1_terminator_val_x_1 -5.40
_LACS_plot.Line_1_terminator_val_y_1 3.77
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -1.60
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 0.60
_LACS_plot.Line_2_terminator_val_x_2 8.02
_LACS_plot.Line_2_terminator_val_y_2 -1.86
_LACS_plot.Y_axis_chem_shift_offset 0.02
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
57 PHE -5.40 3.97 0
10 ASP 4.38 -1.47 1
11 ILE 5.45 -0.21 1
12 ALA 4.00 -1.17 1
13 ALA 3.79 -1.16 1
14 ALA 3.78 -1.19 1
15 LEU 3.04 -0.69 1
16 ARG 4.09 -0.74 1
17 ASP 0.58 2.14 1
19 GLN 3.93 -0.18 1
20 ALA -0.02 -0.31 1
22 ASP 7.33 -2.67 1
23 SER -0.45 1.31 1
24 PHE 1.03 0.60 1
25 SER -3.78 0.63 1
27 LYS 5.04 -1.47 1
28 LYS 4.06 -1.06 1
29 PHE 4.21 0.23 1
30 PHE 3.43 -2.48 1
31 GLN 3.69 -0.74 1
32 ILE 4.22 -0.04 1
33 SER 2.90 -0.30 1
35 MET 3.10 1.85 1
36 SER 2.99 -0.36 1
37 LYS -0.81 -0.12 1
38 LYS -0.84 -1.68 1
39 SER -3.13 1.95 1
40 SER 5.55 -1.50 1
41 SER 5.48 -1.70 1
42 GLN 3.30 0.08 1
43 LEU 3.65 -0.71 1
44 LYS 4.64 -1.15 1
45 GLU 3.75 -0.95 1
46 ILE 5.75 -0.93 1
47 PHE 6.29 -1.04 1
48 ARG 3.90 -0.59 1
49 ILE 3.56 -0.62 1
50 LEU 2.22 -0.81 1
51 ASP 0.82 -2.56 1
52 ASN 3.09 0.03 1
53 ASP 0.53 -1.93 1
54 GLN 4.29 -3.13 1
55 SER 0.00 0.84 1
58 ILE -1.11 0.77 1
59 GLU -2.22 1.18 1
60 GLU 4.80 -0.44 1
61 ASP 3.22 -0.36 1
62 GLU -0.16 0.62 1
63 LEU 2.57 -0.57 1
64 LYS 4.23 -2.05 1
65 TYR 1.29 -1.12 1
66 PHE 2.82 2.31 1
67 LEU 3.84 -1.32 1
68 GLN 3.12 -2.24 1
69 ARG 2.74 -2.70 1
70 PHE 2.40 -0.32 1
71 GLU -3.11 3.18 1
72 SER 4.33 -0.98 1
74 ALA -2.49 1.90 1
75 ARG -0.92 -0.21 1
76 VAL -0.45 0.00 1
77 LEU -0.23 0.16 1
78 THR -2.49 1.35 1
79 ALA 3.99 -1.15 1
80 SER 4.38 -1.31 1
81 GLU 1.15 1.53 1
82 THR 8.02 -2.30 1
83 LYS 4.24 -0.80 1
84 THR 5.63 -1.15 1
85 PHE 1.87 -0.59 1
86 LEU 3.79 -0.39 1
87 ALA 2.65 -0.82 1
88 ALA 1.47 -0.39 1
89 ALA -3.16 3.21 1
90 ASP 0.57 -0.80 1
91 HIS 0.79 0.51 1
92 ASP 0.90 -0.36 1
94 ASP -0.25 -0.36 1
96 LYS -4.25 2.54 1
97 ILE -2.18 1.86 1
99 ALA 3.69 -0.50 1
100 GLU 4.59 -1.39 1
101 GLU 3.03 -0.08 1
102 PHE 3.89 0.33 1
103 GLN 4.29 -0.18 1
104 GLU 2.80 -0.42 1
105 MET 3.96 -0.95 1
106 VAL 4.33 -1.58 1
107 GLN 1.23 -0.20 1
108 SER 1.50 1.15 1
stop_
save_
save_LACS_CACB_HA_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr16945_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name HA
_LACS_plot.Line_1_terminator_val_x_1 -5.40
_LACS_plot.Line_1_terminator_val_y_1 0.42
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -0.26
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 0.10
_LACS_plot.Line_2_terminator_val_x_2 8.02
_LACS_plot.Line_2_terminator_val_y_2 -0.77
_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
99 ALA 3.69 -1.91 0
10 ASP 4.38 -0.17 1
11 ILE 5.45 -1.03 1
12 ALA 4.00 -0.31 1
13 ALA 3.79 -0.36 1
14 ALA 3.78 -0.64 1
15 LEU 3.04 -0.11 1
16 ARG 4.09 -0.27 1
17 ASP 0.58 -0.22 1
19 GLN 3.93 -0.21 1
20 ALA -0.02 0.01 1
22 ASP 7.33 -0.20 1
23 SER -0.45 0.03 1
24 PHE 1.03 -0.23 1
25 SER -3.78 -0.29 1
27 LYS 5.04 -0.55 1
28 LYS 4.06 -0.56 1
29 PHE 4.21 -0.69 1
30 PHE 3.43 -0.03 1
31 GLN 3.69 -0.10 1
32 ILE 4.22 -0.66 1
33 SER 2.90 -0.97 1
35 MET 3.10 -0.81 1
36 SER 2.99 -0.47 1
37 LYS -0.81 0.24 1
38 LYS -0.84 0.18 1
39 SER -3.13 -0.02 1
40 SER 5.55 -0.55 1
41 SER 5.48 -0.60 1
42 GLN 3.30 -0.13 1
43 LEU 3.65 -0.16 1
44 LYS 4.64 -0.20 1
45 GLU 3.75 -0.23 1
46 ILE 5.75 -0.65 1
47 PHE 6.29 -1.49 1
48 ARG 3.90 -0.45 1
49 ILE 3.56 -0.64 1
50 LEU 2.22 -0.61 1
51 ASP 0.82 -0.33 1
52 ASN 3.09 -0.57 1
53 ASP 0.53 -0.15 1
54 GLN 4.29 -0.49 1
55 SER 0.00 -0.23 1
57 PHE -5.40 0.79 1
58 ILE -1.11 0.14 1
59 GLU -2.22 0.26 1
60 GLU 4.80 -0.74 1
61 ASP 3.22 -0.34 1
62 GLU -0.16 0.11 1
63 LEU 2.57 -0.50 1
64 LYS 4.23 -0.40 1
65 TYR 1.29 -0.01 1
66 PHE 2.82 -0.56 1
67 LEU 3.84 -0.51 1
68 GLN 3.12 0.29 1
69 ARG 2.74 -0.45 1
70 PHE 2.40 -0.57 1
71 GLU -3.11 -0.09 1
72 SER 4.33 -0.23 1
74 ALA -2.49 -0.03 1
75 ARG -0.92 0.14 1
76 VAL -0.45 -0.14 1
77 LEU -0.23 0.13 1
78 THR -2.49 -0.06 1
79 ALA 3.99 -0.11 1
80 SER 4.38 -0.24 1
81 GLU 1.15 -0.23 1
82 THR 8.02 -0.62 1
83 LYS 4.24 -0.32 1
84 THR 5.63 -0.40 1
85 PHE 1.87 -0.35 1
86 LEU 3.79 -0.51 1
87 ALA 2.65 -0.14 1
88 ALA 1.47 -0.06 1
89 ALA -3.16 0.18 1
90 ASP 0.57 -0.02 1
91 HIS 0.79 -0.07 1
92 ASP 0.90 -0.03 1
94 ASP -0.25 -0.10 1
96 LYS -4.25 0.44 1
97 ILE -2.18 0.38 1
100 GLU 4.59 -0.41 1
101 GLU 3.03 -0.33 1
102 PHE 3.89 -0.62 1
103 GLN 4.29 -0.92 1
104 GLU 2.80 -0.44 1
105 MET 3.96 -0.31 1
106 VAL 4.33 -1.15 1
107 GLN 1.23 -0.09 1
108 SER 1.50 -0.27 1
stop_
save_
save_LACS_CACB_CO_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr16945_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CO
_LACS_plot.Line_1_terminator_val_x_1 -5.40
_LACS_plot.Line_1_terminator_val_y_1 -1.43
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 1.04
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -0.17
_LACS_plot.Line_2_terminator_val_x_2 8.02
_LACS_plot.Line_2_terminator_val_y_2 2.72
_LACS_plot.Y_axis_chem_shift_offset -0.39
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
50 LEU 2.22 -2.80 0
57 PHE -5.40 -2.10 0
22 ASP 7.33 -1.05 0
10 ASP 4.38 2.07 1
11 ILE 5.45 0.78 1
12 ALA 4.00 3.00 1
13 ALA 3.79 2.38 1
14 ALA 3.78 2.34 1
15 LEU 3.04 2.65 1
16 ARG 4.09 3.05 1
17 ASP 0.58 -0.30 1
19 GLN 3.93 0.65 1
20 ALA -0.02 0.30 1
23 SER -0.45 0.92 1
24 PHE 1.03 -1.42 1
25 SER -3.78 -0.75 1
27 LYS 5.04 2.64 1
28 LYS 4.06 1.37 1
29 PHE 4.21 4.80 1
30 PHE 3.43 1.50 1
31 GLN 3.69 3.60 1
32 ILE 4.22 1.30 1
33 SER 2.90 -0.80 1
35 MET 3.10 0.77 1
36 SER 2.99 0.10 1
37 LYS -0.81 0.30 1
38 LYS -0.84 -1.00 1
39 SER -3.13 0.46 1
40 SER 5.55 2.30 1
41 SER 5.48 3.00 1
42 GLN 3.30 2.83 1
43 LEU 3.65 1.70 1
44 LYS 4.64 2.33 1
45 GLU 3.75 2.56 1
46 ILE 5.75 0.70 1
47 PHE 6.29 -0.10 1
48 ARG 3.90 2.10 1
49 ILE 3.56 1.10 1
51 ASP 0.82 0.50 1
52 ASN 3.09 0.60 1
53 ASP 0.53 -0.60 1
54 GLN 4.29 -0.10 1
55 SER 0.00 1.70 1
58 ILE -1.11 -0.40 1
59 GLU -2.22 0.80 1
60 GLU 4.80 1.50 1
61 ASP 3.22 0.90 1
62 GLU -0.16 3.00 1
63 LEU 2.57 0.20 1
64 LYS 4.23 0.70 1
65 TYR 1.29 -1.00 1
66 PHE 2.82 0.60 1
67 LEU 3.84 2.80 1
68 GLN 3.12 2.10 1
69 ARG 2.74 0.10 1
70 PHE 2.40 0.30 1
71 GLU -3.11 -0.90 1
72 SER 4.33 0.70 1
74 ALA -2.49 -1.90 1
75 ARG -0.92 -1.10 1
76 VAL -0.45 0.80 1
77 LEU -0.23 0.40 1
78 THR -2.49 1.20 1
79 ALA 3.99 2.90 1
80 SER 4.38 2.90 1
81 GLU 1.15 3.20 1
82 THR 8.02 1.60 1
83 LYS 4.24 3.10 1
84 THR 5.63 1.80 1
85 PHE 1.87 1.70 1
86 LEU 3.79 0.80 1
87 ALA 2.65 1.60 1
88 ALA 1.47 0.00 1
89 ALA -3.16 -0.70 1
90 ASP 0.57 0.20 1
91 HIS 0.79 1.50 1
92 ASP 0.90 0.90 1
94 ASP -0.25 1.10 1
96 LYS -4.25 -2.10 1
97 ILE -2.18 -0.20 1
99 ALA 3.69 2.70 1
100 GLU 4.59 2.50 1
101 GLU 3.03 3.20 1
102 PHE 3.89 -0.30 1
103 GLN 4.29 1.10 1
104 GLU 2.80 2.30 1
105 MET 3.96 1.60 1
106 VAL 4.33 0.80 1
107 GLN 1.23 -0.20 1
108 SER 1.50 4.50 1
stop_
save_