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 bmr6178_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CA
_LACS_plot.Line_1_terminator_val_x_1 -8.22
_LACS_plot.Line_1_terminator_val_y_1 -3.10
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -0.10
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -1.97
_LACS_plot.Line_2_terminator_val_x_2 6.53
_LACS_plot.Line_2_terminator_val_y_2 4.77
_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
55 ALA -6.58 -1.63 0
23 LYS 4.26 0.04 0
54 GLN -8.22 -2.61 0
20 HIS -8.00 -2.37 0
12 SER 0.06 -0.30 1
14 VAL -0.38 -0.73 1
16 SER -2.54 -2.29 1
17 ARG 0.11 0.16 1
18 VAL 0.58 -0.68 1
19 ILE -3.14 -2.18 1
21 ILE -1.77 -1.65 1
22 ARG -5.33 -2.14 1
24 LEU 0.02 -0.31 1
26 ILE 2.37 1.42 1
27 ASP 0.85 -1.26 1
28 VAL 0.81 -0.68 1
29 THR -4.11 -2.27 1
30 GLU 4.80 3.70 1
32 GLU 1.35 1.86 1
33 VAL 6.26 4.00 1
34 ILE 5.13 4.18 1
35 SER 5.35 3.99 1
36 LEU 1.25 1.06 1
38 LEU 6.38 4.29 1
40 PHE -0.85 -0.31 1
42 LYS -2.33 -1.80 1
43 VAL 0.36 -0.83 1
44 THR 2.25 0.26 1
45 ASN -3.24 -0.31 1
46 LEU -3.65 -1.16 1
47 LEU -3.89 -1.47 1
48 MET -1.20 -1.54 1
49 LEU -0.21 -2.08 1
50 LYS 4.03 2.72 1
52 LYS -2.18 -2.03 1
53 ASN 3.27 0.76 1
56 PHE -4.30 -1.92 1
57 ILE -5.29 -2.34 1
58 GLU -6.01 -2.74 1
59 MET -3.11 -3.99 1
60 ASN 4.65 2.91 1
61 THR -6.64 -3.50 1
62 GLU 3.72 2.62 1
63 GLU 4.48 3.23 1
64 ALA 1.93 2.36 1
65 ALA 2.77 2.59 1
66 ASN 3.20 3.37 1
67 THR 6.54 4.55 1
68 MET 3.86 3.06 1
69 VAL 6.33 4.61 1
70 ASN 4.26 2.98 1
71 TYR 4.66 3.93 1
72 TYR 2.89 0.86 1
73 THR 3.79 2.56 1
74 SER 1.05 0.92 1
75 VAL -1.68 -1.87 1
76 THR 1.11 0.57 1
78 VAL -5.55 -2.98 1
79 LEU -5.49 -1.62 1
80 ARG 3.48 0.08 1
82 GLN -3.45 -2.22 1
84 ILE -2.99 -2.57 1
85 TYR -3.54 -1.74 1
86 ILE -2.84 -1.34 1
87 GLN -5.61 -2.15 1
88 PHE 2.59 2.44 1
89 SER -1.85 -1.60 1
90 ASN 0.98 0.15 1
91 HIS -0.33 1.01 1
93 GLU -2.18 -1.51 1
94 LEU -0.44 -1.09 1
95 LYS -0.42 -0.96 1
96 THR -0.12 -0.89 1
97 ASP -0.07 -0.49 1
98 SER -0.02 -0.61 1
99 SER 0.31 -0.16 1
101 ASN 0.74 -0.16 1
102 GLN 0.14 -0.23 1
103 ALA -0.37 -0.48 1
104 ARG -0.20 -0.61 1
105 ALA -0.14 0.75 1
stop_
save_
save_LACS_CACB_CB_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr6178_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CB
_LACS_plot.Line_1_terminator_val_x_1 -8.22
_LACS_plot.Line_1_terminator_val_y_1 5.12
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -2.10
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 0.03
_LACS_plot.Line_2_terminator_val_x_2 6.53
_LACS_plot.Line_2_terminator_val_y_2 -1.76
_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
55 ALA -6.58 4.95 0
23 LYS 4.26 -4.22 0
54 GLN -8.22 5.61 0
20 HIS -8.00 5.63 0
12 SER 0.06 -0.36 1
14 VAL -0.38 -0.35 1
16 SER -2.54 0.25 1
17 ARG 0.11 0.05 1
18 VAL 0.58 -1.26 1
19 ILE -3.14 0.96 1
21 ILE -1.77 0.12 1
22 ARG -5.33 3.19 1
24 LEU 0.02 -0.33 1
26 ILE 2.37 -0.95 1
27 ASP 0.85 -2.11 1
28 VAL 0.81 -1.49 1
29 THR -4.11 1.84 1
30 GLU 4.80 -1.10 1
32 GLU 1.35 0.51 1
33 VAL 6.26 -2.26 1
34 ILE 5.13 -0.95 1
35 SER 5.35 -1.36 1
36 LEU 1.25 -0.19 1
38 LEU 6.38 -2.09 1
40 PHE -0.85 0.54 1
42 LYS -2.33 0.53 1
43 VAL 0.36 -1.19 1
44 THR 2.25 -1.99 1
45 ASN -3.24 2.93 1
46 LEU -3.65 2.49 1
47 LEU -3.89 2.42 1
48 MET -1.20 -0.34 1
49 LEU -0.21 -1.87 1
50 LYS 4.03 -1.31 1
52 LYS -2.18 0.15 1
53 ASN 3.27 -2.51 1
56 PHE -4.30 2.38 1
57 ILE -5.29 2.95 1
58 GLU -6.01 3.27 1
59 MET -3.11 -0.88 1
60 ASN 4.65 -1.74 1
61 THR -6.64 3.14 1
62 GLU 3.72 -1.10 1
63 GLU 4.48 -1.25 1
64 ALA 1.93 0.43 1
65 ALA 2.77 -0.18 1
66 ASN 3.20 0.17 1
67 THR 6.54 -1.99 1
68 MET 3.86 -0.80 1
69 VAL 6.33 -1.72 1
70 ASN 4.26 -1.28 1
71 TYR 4.66 -0.73 1
72 TYR 2.89 -2.03 1
73 THR 3.79 -1.23 1
74 SER 1.05 -0.13 1
75 VAL -1.68 -0.19 1
76 THR 1.11 -0.54 1
78 VAL -5.55 2.57 1
79 LEU -5.49 3.87 1
80 ARG 3.48 -3.40 1
82 GLN -3.45 1.23 1
84 ILE -2.99 0.42 1
85 TYR -3.54 1.80 1
86 ILE -2.84 1.50 1
87 GLN -5.61 3.46 1
88 PHE 2.59 -0.15 1
89 SER -1.85 0.25 1
90 ASN 0.98 -0.83 1
91 HIS -0.33 1.34 1
93 GLU -2.18 0.67 1
94 LEU -0.44 -0.65 1
95 LYS -0.42 -0.54 1
96 THR -0.12 -0.77 1
97 ASP -0.07 -0.42 1
98 SER -0.02 -0.59 1
99 SER 0.31 -0.47 1
101 ASN 0.74 -0.90 1
102 GLN 0.14 -0.37 1
103 ALA -0.37 -0.11 1
104 ARG -0.20 -0.41 1
105 ALA -0.14 0.89 1
stop_
save_
save_LACS_CACB_HA_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr6178_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name HA
_LACS_plot.Line_1_terminator_val_x_1 -8.22
_LACS_plot.Line_1_terminator_val_y_1 0.71
_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 0.15
_LACS_plot.Line_2_terminator_val_x_2 6.53
_LACS_plot.Line_2_terminator_val_y_2 -0.59
_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
68 MET 3.86 -2.34 0
16 SER -2.54 0.06 1
17 ARG 0.11 0.03 1
18 VAL 0.58 0.69 1
19 ILE -3.14 0.19 1
20 HIS -8.00 0.23 1
21 ILE -1.77 0.63 1
22 ARG -5.33 0.48 1
23 LYS 4.26 -0.52 1
24 LEU 0.02 -0.61 1
26 ILE 2.37 -0.32 1
27 ASP 0.85 -0.12 1
28 VAL 0.81 -0.12 1
29 THR -4.11 0.34 1
30 GLU 4.80 -0.50 1
32 GLU 1.35 -0.39 1
33 VAL 6.26 -0.68 1
34 ILE 5.13 -0.63 1
35 SER 5.35 -0.45 1
36 LEU 1.25 -0.06 1
38 LEU 6.38 -0.05 1
40 PHE -0.85 -0.21 1
42 LYS -2.33 0.09 1
43 VAL 0.36 0.47 1
44 THR 2.25 -0.11 1
45 ASN -3.24 0.05 1
46 LEU -3.65 0.67 1
47 LEU -3.89 0.42 1
48 MET -1.20 0.21 1
49 LEU -0.21 0.40 1
50 LYS 4.03 -0.28 1
53 ASN 3.27 -0.25 1
54 GLN -8.22 0.94 1
55 ALA -6.58 0.74 1
56 PHE -4.30 1.11 1
57 ILE -5.29 0.66 1
58 GLU -6.01 0.68 1
59 MET -3.11 1.20 1
60 ASN 4.65 -0.42 1
61 THR -6.64 0.40 1
62 GLU 3.72 -0.40 1
63 GLU 4.48 -0.23 1
64 ALA 1.93 -0.13 1
65 ALA 2.77 -0.36 1
66 ASN 3.20 -0.18 1
67 THR 6.54 -0.48 1
69 VAL 6.33 -0.91 1
70 ASN 4.26 -0.41 1
71 TYR 4.66 -0.52 1
72 TYR 2.89 0.66 1
73 THR 3.79 -0.05 1
74 SER 1.05 0.03 1
75 VAL -1.68 -0.04 1
76 THR 1.11 -0.30 1
78 VAL -5.55 0.62 1
79 LEU -5.49 0.22 1
80 ARG 3.48 -0.47 1
82 GLN -3.45 0.27 1
84 ILE -2.99 0.39 1
85 TYR -3.54 0.27 1
86 ILE -2.84 0.43 1
87 GLN -5.61 0.17 1
88 PHE 2.59 0.09 1
89 SER -1.85 0.26 1
90 ASN 0.98 -0.03 1
91 HIS -0.33 -0.23 1
93 GLU -2.18 -0.14 1
94 LEU -0.44 -0.17 1
95 LYS -0.42 0.03 1
96 THR -0.12 -0.05 1
97 ASP -0.07 -0.01 1
98 SER -0.02 -0.02 1
99 SER 0.31 -0.07 1
101 ASN 0.74 -0.11 1
102 GLN 0.14 -0.07 1
103 ALA -0.37 -0.04 1
104 ARG -0.20 -0.03 1
105 ALA -0.14 -0.23 1
stop_
save_
save_LACS_CACB_CO_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr6178_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CO
_LACS_plot.Line_1_terminator_val_x_1 -8.22
_LACS_plot.Line_1_terminator_val_y_1 -2.83
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 0.30
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -1.12
_LACS_plot.Line_2_terminator_val_x_2 6.53
_LACS_plot.Line_2_terminator_val_y_2 1.85
_LACS_plot.Y_axis_chem_shift_offset 0.37
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
105 ALA -0.14 4.50 0
12 SER 0.06 0.21 1
14 VAL -0.38 -0.30 1
16 SER -2.54 -1.42 1
17 ARG 0.11 -1.54 1
18 VAL 0.58 -1.84 1
19 ILE -3.14 -2.57 1
20 HIS -8.00 -0.70 1
21 ILE -1.77 -1.83 1
22 ARG -5.33 -2.19 1
23 LYS 4.26 -1.40 1
24 LEU 0.02 -0.59 1
26 ILE 2.37 -0.82 1
27 ASP 0.85 -0.72 1
28 VAL 0.81 -2.67 1
29 THR -4.11 0.99 1
30 GLU 4.80 2.26 1
32 GLU 1.35 2.05 1
33 VAL 6.26 1.57 1
34 ILE 5.13 2.67 1
35 SER 5.35 0.80 1
36 LEU 1.25 2.08 1
38 LEU 6.38 -0.23 1
40 PHE -0.85 -0.65 1
42 LYS -2.33 -1.53 1
43 VAL 0.36 0.92 1
44 THR 2.25 0.47 1
45 ASN -3.24 -3.18 1
46 LEU -3.65 -3.64 1
47 LEU -3.89 -2.62 1
48 MET -1.20 -1.01 1
49 LEU -0.21 -0.54 1
52 LYS -2.18 -0.66 1
53 ASN 3.27 -1.19 1
54 GLN -8.22 -1.76 1
55 ALA -6.58 -3.34 1
56 PHE -4.30 -0.62 1
57 ILE -5.29 -3.70 1
58 GLU -6.01 -1.55 1
59 MET -3.11 1.48 1
60 ASN 4.65 -0.09 1
61 THR -6.64 -0.34 1
62 GLU 3.72 2.14 1
63 GLU 4.48 2.40 1
64 ALA 1.93 1.59 1
65 ALA 2.77 0.58 1
66 ASN 3.20 2.47 1
67 THR 6.54 1.18 1
68 MET 3.86 0.25 1
69 VAL 6.33 2.80 1
70 ASN 4.26 3.15 1
71 TYR 4.66 2.16 1
72 TYR 2.89 -0.21 1
73 THR 3.79 0.43 1
74 SER 1.05 -1.01 1
75 VAL -1.68 -2.12 1
76 THR 1.11 -0.15 1
78 VAL -5.55 -0.97 1
79 LEU -5.49 -1.85 1
80 ARG 3.48 0.48 1
82 GLN -3.45 -2.03 1
84 ILE -2.99 -2.68 1
85 TYR -3.54 -1.66 1
86 ILE -2.84 -2.86 1
87 GLN -5.61 -1.25 1
88 PHE 2.59 1.40 1
89 SER -1.85 0.45 1
90 ASN 0.98 0.06 1
93 GLU -2.18 -1.29 1
94 LEU -0.44 -1.44 1
95 LYS -0.42 -0.27 1
96 THR -0.12 -0.45 1
97 ASP -0.07 -0.26 1
98 SER -0.02 -0.36 1
99 SER 0.31 2.20 1
101 ASN 0.74 -0.06 1
102 GLN 0.14 -0.55 1
103 ALA -0.37 -0.38 1
104 ARG -0.20 -1.38 1
stop_
save_