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 bmr17762_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CA
_LACS_plot.Line_1_terminator_val_x_1 -8.17
_LACS_plot.Line_1_terminator_val_y_1 -5.26
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -1.85
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -3.98
_LACS_plot.Line_2_terminator_val_x_2 9.53
_LACS_plot.Line_2_terminator_val_y_2 4.27
_LACS_plot.Y_axis_chem_shift_offset 2.54
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
46 PHE 9.53 -3.38 0
10 ARG 3.88 0.66 1
11 GLN 2.39 -0.21 1
12 HIS -1.41 -2.73 1
13 MET 0.92 -4.88 1
14 ASP 0.36 -3.10 1
15 SER 2.28 -0.17 1
17 ASN -1.33 -2.88 1
18 SER -0.13 -2.96 1
20 SER -0.94 -3.39 1
21 SER 0.23 -1.93 1
22 SER 0.53 -2.22 1
23 SER 1.82 -0.34 1
24 ASN -0.44 -2.58 1
25 TYR 4.31 1.98 1
27 ASN 5.12 0.64 1
28 LEU 2.52 0.10 1
29 MET 2.67 -1.96 1
30 MET 5.01 -0.79 1
33 ARG -0.51 -5.19 1
34 LYS 5.59 -1.88 1
35 MET 0.04 -1.96 1
36 THR 0.10 -3.67 1
37 GLN 0.34 -2.84 1
39 LYS -2.03 -3.93 1
41 LYS 0.35 -0.76 1
43 VAL -5.59 -5.54 1
44 ASN -4.24 -1.41 1
45 THR -1.07 -2.79 1
47 VAL -0.04 -2.92 1
48 HIS 0.35 -3.02 1
49 GLU -3.87 -5.50 1
50 SER -1.23 -3.10 1
51 LEU 4.57 0.68 1
52 ALA 3.78 0.36 1
53 ASP 4.76 0.71 1
54 VAL 5.82 2.07 1
55 LYS 5.01 1.64 1
56 ALA 3.19 -1.11 1
57 VAL 5.54 1.20 1
59 SER 0.23 -2.52 1
60 GLN 3.85 -3.14 1
61 LYS 0.02 -1.59 1
62 LYS 1.49 -1.29 1
63 VAL -6.18 -5.54 1
64 THR 1.27 -1.33 1
66 LYS 4.71 0.46 1
67 ASP 0.07 -3.39 1
69 GLN 0.28 -1.44 1
70 THR -0.49 -3.09 1
71 ASN 0.73 -2.58 1
73 TYR -5.34 -2.70 1
74 GLN -7.27 -5.77 1
75 SER -1.16 -2.54 1
76 LYS 2.95 0.17 1
77 SER -3.57 -4.56 1
78 THR 0.97 -1.92 1
79 MET -4.06 -2.54 1
80 ARG 2.42 -1.09 1
81 ILE -5.62 -4.44 1
82 THR -0.19 -1.62 1
83 ASP -2.56 -3.10 1
85 ARG -3.73 -3.73 1
86 GLU -1.23 -1.40 1
87 THR -2.54 -3.67 1
89 SER -0.35 -3.10 1
90 SER 1.40 -1.93 1
91 LYS -1.15 -2.76 1
92 TYR 2.70 0.28 1
94 ASN 0.43 -3.47 1
96 ALA -3.54 -3.45 1
97 TYR -4.76 -2.12 1
98 LYS -2.03 -3.64 1
99 THR -0.49 -1.62 1
100 THR -0.49 -1.92 1
101 GLN -0.25 -2.55 1
102 VAL -5.59 -4.37 1
103 GLU -2.41 -4.04 1
104 LYS -8.17 -4.22 1
105 HIS 2.98 -0.68 1
106 ILE -3.57 -3.56 1
107 ILE -1.52 -3.56 1
108 VAL -6.17 -7.00 1
109 ALA -4.42 -4.33 1
113 LYS -2.87 -3.10 1
115 SER 0.82 -2.22 1
116 VAL -2.32 -3.72 1
118 VAL -2.66 -3.78 1
119 HIS -2.58 -1.56 1
120 PHE 1.51 -1.92 1
121 ASP -2.57 0.41 1
122 ALA -3.25 -3.16 1
123 SER -4.16 -3.98 1
124 VAL -1.20 -1.44 1
stop_
save_
save_LACS_CACB_CB_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr17762_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CB
_LACS_plot.Line_1_terminator_val_x_1 -8.17
_LACS_plot.Line_1_terminator_val_y_1 2.91
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -3.85
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -1.98
_LACS_plot.Line_2_terminator_val_x_2 9.53
_LACS_plot.Line_2_terminator_val_y_2 -5.26
_LACS_plot.Y_axis_chem_shift_offset 2.54
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
46 PHE 9.53 -12.91 0
10 ARG 3.88 -3.22 1
11 GLN 2.39 -2.60 1
12 HIS -1.41 -1.32 1
13 MET 0.92 -5.80 1
14 ASP 0.36 -3.46 1
15 SER 2.28 -2.45 1
17 ASN -1.33 -1.55 1
18 SER -0.13 -2.83 1
20 SER -0.94 -2.45 1
21 SER 0.23 -2.16 1
22 SER 0.53 -2.75 1
23 SER 1.82 -2.16 1
24 ASN -0.44 -2.14 1
25 TYR 4.31 -2.33 1
27 ASN 5.12 -4.48 1
28 LEU 2.52 -2.42 1
29 MET 2.67 -4.63 1
30 MET 5.01 -5.80 1
33 ARG -0.51 -4.68 1
34 LYS 5.59 -7.47 1
35 MET 0.04 -2.00 1
36 THR 0.10 -3.77 1
37 GLN 0.34 -3.18 1
39 LYS -2.03 -1.90 1
41 LYS 0.35 -1.11 1
43 VAL -5.59 0.05 1
44 ASN -4.24 2.83 1
45 THR -1.07 -1.72 1
47 VAL -0.04 -2.88 1
48 HIS 0.35 -3.37 1
49 GLU -3.87 -1.63 1
50 SER -1.23 -1.87 1
51 LEU 4.57 -3.89 1
52 ALA 3.78 -3.42 1
53 ASP 4.76 -4.05 1
54 VAL 5.82 -3.75 1
55 LYS 5.01 -3.37 1
56 ALA 3.19 -4.30 1
57 VAL 5.54 -4.34 1
59 SER 0.23 -2.75 1
60 GLN 3.85 -6.99 1
61 LYS 0.02 -1.61 1
62 LYS 1.49 -2.78 1
63 VAL -6.18 0.64 1
64 THR 1.27 -2.60 1
66 LYS 4.71 -4.25 1
67 ASP 0.07 -3.46 1
69 GLN 0.28 -1.72 1
70 THR -0.49 -2.60 1
71 ASN 0.73 -3.31 1
73 TYR -5.34 2.64 1
74 GLN -7.27 1.50 1
75 SER -1.16 -1.38 1
76 LYS 2.95 -2.78 1
77 SER -3.57 -0.99 1
78 THR 0.97 -2.89 1
79 MET -4.06 1.52 1
80 ARG 2.42 -3.51 1
81 ILE -5.62 1.18 1
82 THR -0.19 -1.43 1
83 ASP -2.56 -0.54 1
85 ARG -3.73 0.00 1
86 GLU -1.23 -0.17 1
87 THR -2.54 -1.13 1
89 SER -0.35 -2.75 1
90 SER 1.40 -3.33 1
91 LYS -1.15 -1.61 1
92 TYR 2.70 -2.42 1
94 ASN 0.43 -3.90 1
96 ALA -3.54 0.09 1
97 TYR -4.76 2.64 1
98 LYS -2.03 -1.61 1
99 THR -0.49 -1.13 1
100 THR -0.49 -1.43 1
101 GLN -0.25 -2.30 1
102 VAL -5.59 1.22 1
103 GLU -2.41 -1.63 1
104 LYS -8.17 3.95 1
105 HIS 2.98 -3.66 1
106 ILE -3.57 0.01 1
107 ILE -1.52 -2.04 1
108 VAL -6.17 -0.83 1
109 ALA -4.42 0.09 1
113 LYS -2.87 -0.23 1
115 SER 0.82 -3.04 1
116 VAL -2.32 -1.40 1
118 VAL -2.66 -1.12 1
119 HIS -2.58 1.02 1
120 PHE 1.51 -3.43 1
121 ASP -2.57 2.98 1
122 ALA -3.25 0.09 1
123 SER -4.16 0.18 1
124 VAL -1.20 -0.24 1
stop_
save_
save_LACS_CACB_HA_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr17762_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name HA
_LACS_plot.Line_1_terminator_val_x_1 -8.17
_LACS_plot.Line_1_terminator_val_y_1 0.92
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -0.11
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 0.32
_LACS_plot.Line_2_terminator_val_x_2 9.53
_LACS_plot.Line_2_terminator_val_y_2 -0.90
_LACS_plot.Y_axis_chem_shift_offset -0.10
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
46 PHE 9.53 0.30 0
10 ARG 3.88 -0.14 1
11 GLN 2.39 -0.55 1
12 HIS -1.41 0.21 1
13 MET 0.92 0.98 1
14 ASP 0.36 0.38 1
15 SER 2.28 -0.27 1
17 ASN -1.33 -0.08 1
18 SER -0.13 -0.59 1
20 SER -0.94 -0.10 1
21 SER 0.23 -0.07 1
22 SER 0.53 0.11 1
23 SER 1.82 0.05 1
24 ASN -0.44 0.20 1
25 TYR 4.31 -0.61 1
27 ASN 5.12 -0.36 1
28 LEU 2.52 -0.26 1
29 MET 2.67 -0.29 1
30 MET 5.01 -0.17 1
33 ARG -0.51 0.13 1
34 LYS 5.59 0.04 1
35 MET 0.04 0.27 1
36 THR 0.10 0.94 1
37 GLN 0.34 0.21 1
39 LYS -2.03 -0.76 1
41 LYS 0.35 -0.06 1
43 VAL -5.59 1.18 1
44 ASN -4.24 0.03 1
45 THR -1.07 0.79 1
47 VAL -0.04 0.09 1
48 HIS 0.35 0.58 1
49 GLU -3.87 0.41 1
50 SER -1.23 -0.23 1
51 LEU 4.57 -0.25 1
52 ALA 3.78 -0.36 1
53 ASP 4.76 -0.27 1
54 VAL 5.82 -0.42 1
55 LYS 5.01 -0.68 1
56 ALA 3.19 -0.31 1
57 VAL 5.54 -0.92 1
59 SER 0.23 0.10 1
60 GLN 3.85 0.26 1
61 LYS 0.02 -0.06 1
62 LYS 1.49 -0.27 1
63 VAL -6.18 0.40 1
64 THR 1.27 -0.05 1
66 LYS 4.71 -0.33 1
67 ASP 0.07 -0.18 1
69 GLN 0.28 0.02 1
70 THR -0.49 0.12 1
71 ASN 0.73 0.11 1
73 TYR -5.34 0.57 1
74 GLN -7.27 1.07 1
75 SER -1.16 0.21 1
76 LYS 2.95 -0.12 1
77 SER -3.57 0.42 1
78 THR 0.97 -1.10 1
79 MET -4.06 0.16 1
80 ARG 2.42 0.04 1
81 ILE -5.62 1.11 1
82 THR -0.19 0.67 1
83 ASP -2.56 0.39 1
85 ARG -3.73 1.07 1
86 GLU -1.23 -0.06 1
87 THR -2.54 0.16 1
89 SER -0.35 0.03 1
90 SER 1.40 -0.53 1
91 LYS -1.15 0.11 1
92 TYR 2.70 -1.12 1
94 ASN 0.43 0.20 1
96 ALA -3.54 0.43 1
97 TYR -4.76 0.35 1
98 LYS -2.03 0.42 1
99 THR -0.49 0.89 1
100 THR -0.49 0.29 1
101 GLN -0.25 0.84 1
102 VAL -5.59 0.52 1
103 GLU -2.41 1.05 1
104 LYS -8.17 0.47 1
105 HIS 2.98 -0.32 1
106 ILE -3.57 0.83 1
107 ILE -1.52 1.13 1
108 VAL -6.17 0.77 1
109 ALA -4.42 0.98 1
113 LYS -2.87 -0.23 1
115 SER 0.82 -0.52 1
116 VAL -2.32 0.42 1
118 VAL -2.66 0.41 1
119 HIS -2.58 0.59 1
120 PHE 1.51 -0.34 1
121 ASP -2.57 0.03 1
122 ALA -3.25 0.17 1
123 SER -4.16 0.86 1
124 VAL -1.20 0.19 1
stop_
save_