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 bmr10099_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CA
_LACS_plot.Line_1_terminator_val_x_1 -9.04
_LACS_plot.Line_1_terminator_val_y_1 -2.87
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 0.75
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -0.84
_LACS_plot.Line_2_terminator_val_x_2 4.11
_LACS_plot.Line_2_terminator_val_y_2 2.48
_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
72 THR 1.52 -1.92 0
10 TYR 0.40 0.36 1
11 ASP -0.41 0.04 1
12 LEU 0.81 0.37 1
13 SER 0.36 0.45 1
14 ASP 0.04 0.39 1
15 LEU 0.95 0.17 1
20 SER -0.78 -0.02 1
21 LYS -1.97 0.22 1
23 GLN -3.16 -1.71 1
24 VAL 0.03 -0.31 1
25 THR -0.79 -0.67 1
26 ASP -0.74 0.66 1
27 VAL -0.55 0.64 1
28 THR -2.51 -1.15 1
29 LYS 2.66 2.12 1
30 ASN -3.03 -1.12 1
31 SER -5.04 -1.16 1
32 VAL -5.07 -1.27 1
33 THR 0.92 0.75 1
34 LEU -7.03 -2.28 1
35 SER -4.72 -2.45 1
36 TRP -1.68 -0.78 1
37 GLN -2.62 -1.65 1
40 THR 1.67 0.87 1
43 THR 3.57 2.90 1
44 LEU -2.02 -1.19 1
46 ALA 0.27 0.13 1
47 SER 0.13 0.63 1
48 ALA -3.99 -1.38 1
49 TYR -4.46 -0.85 1
50 ILE -4.84 -1.68 1
51 ILE -2.05 -0.87 1
52 GLU -6.60 -2.04 1
53 ALA -9.04 -2.18 1
54 PHE -3.19 -1.76 1
55 SER -2.26 -1.47 1
56 GLN 2.98 2.27 1
57 SER 2.13 1.47 1
58 VAL 1.58 1.66 1
59 SER -0.45 -0.63 1
60 ASN 1.06 0.57 1
61 SER -2.79 -1.14 1
62 TRP 2.09 1.71 1
63 GLN -4.58 -1.75 1
64 THR 4.12 2.91 1
65 VAL -0.85 -1.02 1
66 ALA -2.87 0.70 1
67 ASN -3.45 -1.58 1
68 HIS 3.39 2.17 1
69 VAL 1.66 1.24 1
70 LYS 0.70 0.61 1
71 THR -2.83 -2.24 1
73 LEU -3.72 -0.97 1
74 TYR -4.22 1.06 1
75 THR 0.79 0.37 1
76 VAL 0.80 0.15 1
77 ARG -2.55 -1.38 1
79 LEU -0.35 -1.56 1
80 ARG -0.95 0.20 1
82 ASN 1.12 0.57 1
83 THR -0.89 1.18 1
84 ILE 0.64 -0.31 1
85 TYR -6.77 -0.20 1
86 LEU -5.49 -0.90 1
87 PHE -5.49 -0.68 1
88 MET -3.41 0.46 1
89 VAL -4.72 -2.25 1
90 ARG -5.12 -1.73 1
91 ALA -4.80 -1.72 1
92 ILE -3.63 -1.05 1
93 ASN -1.23 0.22 1
95 GLN 0.42 0.61 1
97 LEU -4.49 -1.71 1
98 SER -3.22 0.00 1
99 ASP 3.52 1.71 1
101 SER 0.41 0.98 1
103 MET -0.58 0.98 1
104 SER -0.82 0.58 1
105 ASP 3.83 1.96 1
107 VAL -4.51 -2.15 1
108 ARG -4.45 -2.54 1
109 THR 0.97 -0.23 1
110 GLN -0.62 -0.06 1
111 ASP -1.31 -0.32 1
112 SER 0.01 0.34 1
115 SER 0.01 0.10 1
116 SER -0.53 0.06 1
stop_
save_
save_LACS_CACB_CB_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr10099_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CB
_LACS_plot.Line_1_terminator_val_x_1 -9.04
_LACS_plot.Line_1_terminator_val_y_1 6.17
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -1.25
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 1.16
_LACS_plot.Line_2_terminator_val_x_2 4.11
_LACS_plot.Line_2_terminator_val_y_2 -1.63
_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
72 THR 1.52 -3.44 0
10 TYR 0.40 -0.04 1
11 ASP -0.41 0.45 1
12 LEU 0.81 -0.44 1
13 SER 0.36 0.09 1
14 ASP 0.04 0.35 1
15 LEU 0.95 -0.78 1
20 SER -0.78 0.76 1
21 LYS -1.97 2.19 1
23 GLN -3.16 1.45 1
24 VAL 0.03 -0.34 1
25 THR -0.79 0.12 1
26 ASP -0.74 1.40 1
27 VAL -0.55 1.19 1
28 THR -2.51 1.36 1
29 LYS 2.66 -0.54 1
30 ASN -3.03 1.91 1
31 SER -5.04 3.88 1
32 VAL -5.07 3.80 1
33 THR 0.92 -0.17 1
34 LEU -7.03 4.75 1
35 SER -4.72 2.27 1
36 TRP -1.68 0.90 1
37 GLN -2.62 0.97 1
40 THR 1.67 -0.80 1
43 THR 3.57 -0.67 1
44 LEU -2.02 0.83 1
46 ALA 0.27 -0.14 1
47 SER 0.13 0.50 1
48 ALA -3.99 2.61 1
49 TYR -4.46 3.61 1
50 ILE -4.84 3.16 1
51 ILE -2.05 1.18 1
52 GLU -6.60 4.56 1
53 ALA -9.04 6.86 1
54 PHE -3.19 1.43 1
55 SER -2.26 0.79 1
56 GLN 2.98 -0.71 1
57 SER 2.13 -0.66 1
58 VAL 1.58 0.08 1
59 SER -0.45 -0.18 1
60 ASN 1.06 -0.49 1
61 SER -2.79 1.65 1
62 TRP 2.09 -0.38 1
63 GLN -4.58 2.83 1
64 THR 4.12 -1.21 1
65 VAL -0.85 -0.17 1
66 ALA -2.87 3.57 1
67 ASN -3.45 1.87 1
68 HIS 3.39 -1.22 1
69 VAL 1.66 -0.42 1
70 LYS 0.70 -0.09 1
71 THR -2.83 0.59 1
73 LEU -3.72 2.75 1
74 TYR -4.22 5.28 1
75 THR 0.79 -0.42 1
76 VAL 0.80 -0.65 1
77 ARG -2.55 1.17 1
79 LEU -0.35 -1.21 1
80 ARG -0.95 1.15 1
82 ASN 1.12 -0.55 1
83 THR -0.89 2.07 1
84 ILE 0.64 -0.95 1
85 TYR -6.77 6.57 1
86 LEU -5.49 4.59 1
87 PHE -5.49 4.81 1
88 MET -3.41 3.87 1
89 VAL -4.72 2.47 1
90 ARG -5.12 3.39 1
91 ALA -4.80 3.08 1
92 ILE -3.63 2.58 1
93 ASN -1.23 1.45 1
95 GLN 0.42 0.19 1
97 LEU -4.49 2.78 1
98 SER -3.22 3.22 1
99 ASP 3.52 -1.81 1
101 SER 0.41 0.57 1
103 MET -0.58 1.56 1
104 SER -0.82 1.40 1
105 ASP 3.83 -1.87 1
107 VAL -4.51 2.36 1
108 ARG -4.45 1.91 1
109 THR 0.97 -1.20 1
110 GLN -0.62 0.56 1
111 ASP -1.31 0.99 1
112 SER 0.01 0.33 1
115 SER 0.01 0.09 1
116 SER -0.53 0.59 1
stop_
save_
save_LACS_CACB_HA_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr10099_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name HA
_LACS_plot.Line_1_terminator_val_x_1 -9.04
_LACS_plot.Line_1_terminator_val_y_1 1.03
_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 0.21
_LACS_plot.Line_2_terminator_val_x_2 4.11
_LACS_plot.Line_2_terminator_val_y_2 -0.38
_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
72 THR 1.52 -1.39 0
10 TYR 0.40 0.01 1
11 ASP -0.41 -0.02 1
12 LEU 0.81 -0.02 1
13 SER 0.36 -0.07 1
14 ASP 0.04 0.06 1
15 LEU 0.95 -0.31 1
20 SER -0.78 0.03 1
21 LYS -1.97 -0.34 1
23 GLN -3.16 0.14 1
24 VAL 0.03 0.59 1
25 THR -0.79 0.21 1
26 ASP -0.74 -0.06 1
27 VAL -0.55 0.45 1
28 THR -2.51 0.59 1
29 LYS 2.66 0.00 1
30 ASN -3.03 0.05 1
31 SER -5.04 1.08 1
32 VAL -5.07 0.50 1
33 THR 0.92 0.62 1
34 LEU -7.03 1.20 1
35 SER -4.72 0.79 1
36 TRP -1.68 0.31 1
37 GLN -2.62 0.25 1
40 THR 1.67 -0.25 1
43 THR 3.57 -0.32 1
44 LEU -2.02 0.11 1
46 ALA 0.27 -0.02 1
47 SER 0.13 0.03 1
48 ALA -3.99 0.28 1
49 TYR -4.46 0.88 1
50 ILE -4.84 0.49 1
51 ILE -2.05 0.53 1
52 GLU -6.60 1.25 1
53 ALA -9.04 1.49 1
54 PHE -3.19 -0.43 1
55 SER -2.26 -0.33 1
56 GLN 2.98 -0.50 1
57 SER 2.13 -0.27 1
58 VAL 1.58 -0.21 1
59 SER -0.45 -0.01 1
60 ASN 1.06 -0.17 1
61 SER -2.79 0.38 1
62 TRP 2.09 -0.18 1
63 GLN -4.58 0.51 1
64 THR 4.12 0.14 1
65 VAL -0.85 0.55 1
66 ALA -2.87 0.28 1
67 ASN -3.45 0.25 1
68 HIS 3.39 -0.74 1
69 VAL 1.66 -0.14 1
70 LYS 0.70 0.42 1
71 THR -2.83 0.35 1
73 LEU -3.72 0.57 1
74 TYR -4.22 0.04 1
75 THR 0.79 0.37 1
76 VAL 0.80 -0.19 1
77 ARG -2.55 0.47 1
79 LEU -0.35 -0.07 1
80 ARG -0.95 -0.03 1
82 ASN 1.12 -0.34 1
83 THR -0.89 -0.06 1
84 ILE 0.64 0.60 1
85 TYR -6.77 0.56 1
86 LEU -5.49 0.18 1
87 PHE -5.49 1.54 1
88 MET -3.41 -0.12 1
89 VAL -4.72 0.85 1
90 ARG -5.12 0.12 1
91 ALA -4.80 0.49 1
92 ILE -3.63 0.57 1
93 ASN -1.23 -0.09 1
95 GLN 0.42 -0.05 1
97 LEU -4.49 0.74 1
98 SER -3.22 -0.09 1
99 ASP 3.52 -0.23 1
101 SER 0.41 -0.21 1
103 MET -0.58 0.19 1
104 SER -0.82 -0.22 1
105 ASP 3.83 -0.04 1
107 VAL -4.51 0.46 1
108 ARG -4.45 0.95 1
109 THR 0.97 -0.20 1
110 GLN -0.62 -0.05 1
111 ASP -1.31 0.10 1
112 SER 0.01 -0.07 1
115 SER 0.01 0.06 1
116 SER -0.53 0.03 1
stop_
save_
save_LACS_CACB_CO_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr10099_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CO
_LACS_plot.Line_1_terminator_val_x_1 -9.04
_LACS_plot.Line_1_terminator_val_y_1 -2.27
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -0.17
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -0.96
_LACS_plot.Line_2_terminator_val_x_2 3.82
_LACS_plot.Line_2_terminator_val_y_2 0.29
_LACS_plot.Y_axis_chem_shift_offset 0.54
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
53 ALA -9.04 -1.57 0
10 TYR 0.40 -0.31 1
11 ASP -0.41 -0.07 1
12 LEU 0.81 0.03 1
13 SER 0.36 -0.44 1
14 ASP 0.04 -0.10 1
15 LEU 0.95 -1.25 1
23 GLN -3.16 -0.62 1
24 VAL 0.03 0.85 1
25 THR -0.79 -0.68 1
27 VAL -0.55 -0.66 1
28 THR -2.51 0.43 1
29 LYS 2.66 -2.22 1
31 SER -5.04 -3.35 1
32 VAL -5.07 -2.19 1
33 THR 0.92 -2.46 1
34 LEU -7.03 -2.39 1
35 SER -4.72 -0.83 1
36 TRP -1.68 -3.47 1
37 GLN -2.62 -0.38 1
40 THR 1.67 0.43 1
46 ALA 0.27 -0.04 1
50 ILE -4.84 -1.99 1
51 ILE -2.05 -1.34 1
52 GLU -6.60 -1.81 1
54 PHE -3.19 -1.59 1
55 SER -2.26 0.73 1
56 GLN 2.98 0.30 1
57 SER 2.13 -0.63 1
58 VAL 1.58 -0.71 1
59 SER -0.45 -1.19 1
61 SER -2.79 -0.73 1
62 TRP 2.09 0.54 1
63 GLN -4.58 0.06 1
66 ALA -2.87 -3.25 1
67 ASN -3.45 -1.55 1
69 VAL 1.66 1.19 1
70 LYS 0.70 -0.11 1
71 THR -2.83 -3.50 1
73 LEU -3.72 -1.13 1
74 TYR -4.22 -2.93 1
75 THR 0.79 -2.77 1
76 VAL 0.80 -1.77 1
77 ARG -2.55 -0.24 1
80 ARG -0.95 1.73 1
83 THR -0.89 -3.28 1
84 ILE 0.64 -0.46 1
85 TYR -6.77 -1.06 1
86 LEU -5.49 -2.35 1
87 PHE -5.49 -0.64 1
88 MET -3.41 -3.77 1
89 VAL -4.72 -1.39 1
90 ARG -5.12 -1.97 1
91 ALA -4.80 -2.25 1
92 ILE -3.63 -2.04 1
93 ASN -1.23 0.49 1
95 GLN 0.42 -0.11 1
97 LEU -4.49 -0.13 1
98 SER -3.22 0.12 1
104 SER -0.82 -1.04 1
105 ASP 3.83 -0.21 1
107 VAL -4.51 -4.06 1
108 ARG -4.45 0.68 1
109 THR 0.97 0.87 1
110 GLN -0.62 -1.30 1
111 ASP -1.31 -0.02 1
112 SER 0.01 0.15 1
115 SER 0.01 0.05 1
116 SER -0.53 -0.63 1
stop_
save_