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 bmr17393_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CA
_LACS_plot.Line_1_terminator_val_x_1 -3.78
_LACS_plot.Line_1_terminator_val_y_1 -1.50
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 0.48
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -1.61
_LACS_plot.Line_2_terminator_val_x_2 9.67
_LACS_plot.Line_2_terminator_val_y_2 7.38
_LACS_plot.Y_axis_chem_shift_offset 0.14
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
29 ASP -3.78 -1.40 0
57 MET -3.43 -0.79 0
72 GLN -3.75 -1.09 0
84 MET 1.77 -1.23 0
28 GLN 2.35 -0.87 0
19 MET 9.67 5.81 0
10 LYS 1.06 0.16 1
12 GLU 4.52 3.00 1
13 GLU 2.49 2.56 1
14 LEU 3.89 2.61 1
15 ARG 5.73 4.56 1
16 GLN 4.07 2.67 1
17 ALA 1.13 1.38 1
18 LEU 1.28 0.21 1
21 THR 2.72 2.66 1
22 LEU 2.86 2.03 1
23 GLU 3.62 2.98 1
24 ALA 3.80 2.33 1
25 LEU 3.68 2.38 1
26 TYR 4.57 4.97 1
27 ARG 2.36 1.43 1
32 SER 0.81 1.78 1
33 LEU 0.11 -0.03 1
35 PHE 3.11 3.60 1
36 ARG -0.48 -0.53 1
37 GLN 3.11 2.31 1
39 VAL -3.21 -2.54 1
40 ASP 4.00 2.44 1
42 GLN 2.45 2.10 1
43 LEU -1.10 -0.51 1
44 LEU -0.83 -1.27 1
46 ILE 0.16 -0.79 1
48 ASP 5.29 5.69 1
49 TYR 1.83 -0.46 1
50 PHE 2.47 1.80 1
51 ASP -0.45 0.43 1
52 ILE 2.83 0.31 1
53 VAL 0.81 0.05 1
54 LYS -2.32 -0.86 1
55 ASN -0.26 -1.30 1
58 ASP 3.59 3.52 1
59 LEU 5.50 3.63 1
60 SER 6.62 5.10 1
61 THR 4.44 4.36 1
62 ILE 4.63 4.11 1
63 LYS 5.01 3.61 1
64 ARG 6.54 4.83 1
65 LYS 1.84 2.42 1
66 LEU 3.03 3.04 1
67 ASP -0.63 -0.73 1
68 THR 1.63 0.78 1
70 GLN -0.40 -1.65 1
71 TYR 0.27 1.26 1
73 GLU 4.34 2.11 1
75 TRP 2.11 2.68 1
76 GLN 2.94 1.72 1
77 TYR 6.20 5.11 1
78 VAL 4.03 3.23 1
79 ASP 4.43 3.01 1
80 ASP 7.26 4.63 1
81 VAL 4.83 3.57 1
82 TRP 3.41 3.06 1
83 LEU 4.25 4.40 1
85 PHE 4.75 3.62 1
86 ASN 2.78 2.41 1
87 ASN 3.52 2.33 1
88 ALA 2.78 1.26 1
89 TRP 1.03 1.62 1
90 LEU 2.68 4.50 1
91 TYR -2.25 -0.17 1
92 ASN -0.47 -0.21 1
93 ARG 3.42 2.42 1
94 LYS 0.00 -1.06 1
95 THR -2.31 -0.16 1
96 SER 4.03 3.09 1
97 ARG 6.67 4.93 1
98 VAL 2.92 4.27 1
99 TYR 5.15 3.89 1
100 LYS 2.50 -0.50 1
101 PHE 5.96 4.56 1
103 SER 3.88 1.94 1
104 LYS 3.11 2.60 1
105 LEU 3.79 2.34 1
106 ALA 3.47 3.04 1
107 GLU 4.80 3.75 1
108 VAL 4.85 4.72 1
109 PHE 2.68 2.99 1
110 GLU 2.40 2.02 1
111 GLN 1.06 0.89 1
112 GLU -1.63 -1.95 1
113 ILE 8.86 6.93 1
114 ASP 4.58 3.50 1
116 VAL 4.26 1.32 1
117 MET 4.24 2.92 1
118 GLN 2.07 1.82 1
119 SER 0.27 0.43 1
stop_
save_
save_LACS_CACB_CB_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr17393_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CB
_LACS_plot.Line_1_terminator_val_x_1 -3.78
_LACS_plot.Line_1_terminator_val_y_1 2.28
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -1.52
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 0.39
_LACS_plot.Line_2_terminator_val_x_2 9.67
_LACS_plot.Line_2_terminator_val_y_2 -2.29
_LACS_plot.Y_axis_chem_shift_offset 0.14
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
29 ASP -3.78 2.38 0
57 MET -3.43 2.64 0
72 GLN -3.75 2.66 0
84 MET 1.77 -3.00 0
28 GLN 2.35 -3.22 0
19 MET 9.67 -3.86 0
10 LYS 1.06 -0.90 1
12 GLU 4.52 -1.52 1
13 GLU 2.49 0.07 1
14 LEU 3.89 -1.28 1
15 ARG 5.73 -1.17 1
16 GLN 4.07 -1.40 1
17 ALA 1.13 0.25 1
18 LEU 1.28 -1.07 1
21 THR 2.72 -0.06 1
22 LEU 2.86 -0.83 1
23 GLU 3.62 -0.64 1
24 ALA 3.80 -1.47 1
25 LEU 3.68 -1.30 1
26 TYR 4.57 0.40 1
27 ARG 2.36 -0.93 1
32 SER 0.81 0.97 1
33 LEU 0.11 -0.14 1
35 PHE 3.11 0.49 1
36 ARG -0.48 -0.05 1
37 GLN 3.11 -0.80 1
39 VAL -3.21 0.67 1
40 ASP 4.00 -1.56 1
42 GLN 2.45 -0.35 1
43 LEU -1.10 0.59 1
44 LEU -0.83 -0.44 1
46 ILE 0.16 -0.95 1
48 ASP 5.29 0.40 1
49 TYR 1.83 -2.29 1
50 PHE 2.47 -0.67 1
51 ASP -0.45 0.88 1
52 ILE 2.83 -2.52 1
53 VAL 0.81 -0.76 1
54 LYS -2.32 1.46 1
55 ASN -0.26 -1.04 1
58 ASP 3.59 -0.07 1
59 LEU 5.50 -1.87 1
60 SER 6.62 -1.52 1
61 THR 4.44 -0.08 1
62 ILE 4.63 -0.52 1
63 LYS 5.01 -1.40 1
64 ARG 6.54 -1.71 1
65 LYS 1.84 0.58 1
66 LEU 3.03 0.01 1
67 ASP -0.63 -0.10 1
68 THR 1.63 -0.85 1
70 GLN -0.40 -1.25 1
71 TYR 0.27 0.99 1
73 GLU 4.34 -2.23 1
75 TRP 2.11 0.57 1
76 GLN 2.94 -1.22 1
77 TYR 6.20 -1.09 1
78 VAL 4.03 -0.80 1
79 ASP 4.43 -1.42 1
80 ASP 7.26 -2.63 1
81 VAL 4.83 -1.26 1
82 TRP 3.41 -0.35 1
83 LEU 4.25 0.15 1
85 PHE 4.75 -1.13 1
86 ASN 2.78 -0.37 1
87 ASN 3.52 -1.19 1
88 ALA 2.78 -1.52 1
89 TRP 1.03 0.59 1
90 LEU 2.68 1.82 1
91 TYR -2.25 2.08 1
92 ASN -0.47 0.26 1
93 ARG 3.42 -1.00 1
94 LYS 0.00 -1.06 1
95 THR -2.31 2.15 1
96 SER 4.03 -0.94 1
97 ARG 6.67 -1.74 1
98 VAL 2.92 1.35 1
99 TYR 5.15 -1.26 1
100 LYS 2.50 -3.00 1
101 PHE 5.96 -1.40 1
103 SER 3.88 -1.94 1
104 LYS 3.11 -0.51 1
105 LEU 3.79 -1.45 1
106 ALA 3.47 -0.43 1
107 GLU 4.80 -1.05 1
108 VAL 4.85 -0.13 1
109 PHE 2.68 0.31 1
110 GLU 2.40 -0.38 1
111 GLN 1.06 -0.17 1
112 GLU -1.63 -0.32 1
113 ILE 8.86 -1.93 1
114 ASP 4.58 -1.08 1
116 VAL 4.26 -2.94 1
117 MET 4.24 -1.32 1
118 GLN 2.07 -0.25 1
119 SER 0.27 0.16 1
stop_
save_
save_LACS_CACB_HA_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr17393_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name HA
_LACS_plot.Line_1_terminator_val_x_1 -3.78
_LACS_plot.Line_1_terminator_val_y_1 0.18
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -0.21
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 0.06
_LACS_plot.Line_2_terminator_val_x_2 9.67
_LACS_plot.Line_2_terminator_val_y_2 -0.75
_LACS_plot.Y_axis_chem_shift_offset 0.08
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
93 ARG 3.42 -2.13 0
10 LYS 1.06 0.07 1
12 GLU 4.52 -0.21 1
13 GLU 2.49 -0.22 1
14 LEU 3.89 -0.55 1
15 ARG 5.73 -0.67 1
16 GLN 4.07 -0.42 1
17 ALA 1.13 -0.14 1
18 LEU 1.28 -0.16 1
19 MET 9.67 -0.33 1
21 THR 2.72 -0.21 1
22 LEU 2.86 -0.04 1
23 GLU 3.62 -0.33 1
24 ALA 3.80 -0.38 1
25 LEU 3.68 -0.24 1
26 TYR 4.57 -0.83 1
27 ARG 2.36 -0.32 1
28 GLN 2.35 -0.22 1
29 ASP -3.78 -0.19 1
32 SER 0.81 -0.10 1
33 LEU 0.11 0.20 1
35 PHE 3.11 -0.42 1
36 ARG -0.48 0.23 1
37 GLN 3.11 -1.02 1
39 VAL -3.21 0.09 1
40 ASP 4.00 -0.31 1
42 GLN 2.45 -0.35 1
43 LEU -1.10 -0.24 1
44 LEU -0.83 0.49 1
46 ILE 0.16 0.00 1
48 ASP 5.29 -0.85 1
49 TYR 1.83 0.22 1
50 PHE 2.47 -0.18 1
51 ASP -0.45 -0.17 1
52 ILE 2.83 -0.56 1
53 VAL 0.81 -0.10 1
54 LYS -2.32 0.18 1
55 ASN -0.26 0.57 1
57 MET -3.43 0.22 1
58 ASP 3.59 -0.52 1
59 LEU 5.50 -0.24 1
60 SER 6.62 -0.46 1
61 THR 4.44 -0.25 1
62 ILE 4.63 -0.63 1
63 LYS 5.01 -0.17 1
64 ARG 6.54 -0.91 1
65 LYS 1.84 0.01 1
66 LEU 3.03 -0.28 1
67 ASP -0.63 0.15 1
68 THR 1.63 -0.36 1
70 GLN -0.40 0.22 1
71 TYR 0.27 -0.05 1
72 GLN -3.75 -0.01 1
73 GLU 4.34 -0.45 1
75 TRP 2.11 -0.47 1
76 GLN 2.94 -1.17 1
77 TYR 6.20 -1.05 1
78 VAL 4.03 -0.08 1
79 ASP 4.43 -0.08 1
80 ASP 7.26 -1.64 1
81 VAL 4.83 -0.66 1
82 TRP 3.41 -0.11 1
83 LEU 4.25 -0.79 1
84 MET 1.77 -0.44 1
85 PHE 4.75 0.11 1
86 ASN 2.78 -0.25 1
87 ASN 3.52 0.00 1
88 ALA 2.78 0.10 1
89 TRP 1.03 0.07 1
90 LEU 2.68 -0.55 1
91 TYR -2.25 -0.10 1
92 ASN -0.47 -0.05 1
94 LYS 0.00 -0.27 1
95 THR -2.31 -0.08 1
96 SER 4.03 -0.67 1
97 ARG 6.67 -0.90 1
98 VAL 2.92 -0.83 1
99 TYR 5.15 -0.01 1
100 LYS 2.50 -0.14 1
101 PHE 5.96 -0.02 1
103 SER 3.88 -0.09 1
104 LYS 3.11 -0.72 1
105 LEU 3.79 -0.93 1
106 ALA 3.47 -0.23 1
107 GLU 4.80 -0.49 1
108 VAL 4.85 -0.60 1
109 PHE 2.68 -0.35 1
110 GLU 2.40 -0.25 1
111 GLN 1.06 -0.24 1
112 GLU -1.63 -0.08 1
113 ILE 8.86 -0.38 1
114 ASP 4.58 -0.44 1
116 VAL 4.26 -0.17 1
117 MET 4.24 -0.23 1
118 GLN 2.07 -0.04 1
119 SER 0.27 0.09 1
stop_
save_