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 bmr18943_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CA
_LACS_plot.Line_1_terminator_val_x_1 -7.41
_LACS_plot.Line_1_terminator_val_y_1 -2.74
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 0.82
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -1.49
_LACS_plot.Line_2_terminator_val_x_2 5.99
_LACS_plot.Line_2_terminator_val_y_2 4.66
_LACS_plot.Y_axis_chem_shift_offset -0.06
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
78 MET 2.70 -0.38 0
107 TYR -7.41 -2.24 0
119 ILE -3.34 -3.80 0
60 HIS -4.62 0.22 0
98 TYR -6.40 -1.04 0
12 SER -0.55 -0.37 1
13 TYR -0.14 -0.08 1
14 ILE -0.34 -0.15 1
15 ASP -0.09 0.22 1
17 ASP 0.35 0.40 1
18 GLN 0.96 0.45 1
19 ALA 0.65 0.43 1
21 GLN -0.33 -0.25 1
22 LYS -0.28 -0.28 1
23 ALA -0.98 -0.70 1
24 GLU -0.76 -0.84 1
25 ASN -0.06 0.26 1
26 LEU -3.88 -1.38 1
27 THR 2.17 0.63 1
29 ASP 3.41 2.98 1
30 GLU 1.90 2.52 1
31 VAL 6.00 4.79 1
32 SER 5.47 4.54 1
33 LYS 3.53 3.03 1
34 ARG 3.33 2.69 1
35 GLU 0.42 1.48 1
37 ILE -2.08 -1.03 1
38 ASN 1.23 -0.09 1
39 ALA -1.95 -0.55 1
40 GLU -2.50 -0.83 1
41 GLN 2.82 0.76 1
42 ILE -1.75 -0.38 1
43 VAL 3.09 2.43 1
44 ILE -2.31 -0.08 1
45 LYS -2.71 0.51 1
46 ILE -2.19 0.48 1
47 THR -5.00 -2.69 1
48 ASP 2.35 2.10 1
49 GLN -0.58 0.64 1
51 TYR -2.73 -1.63 1
52 VAL -5.29 -2.37 1
53 THR -4.77 -3.83 1
54 SER -1.48 -0.89 1
55 HIS -7.17 -2.46 1
57 ASP 0.27 -0.24 1
58 HIS -0.23 0.48 1
59 TYR -4.97 -1.62 1
61 TYR -3.15 -1.82 1
62 TYR -4.25 -2.00 1
63 ASN -1.66 -0.01 1
65 LYS -1.18 -0.76 1
66 VAL 1.15 1.18 1
68 TYR 3.14 4.02 1
69 ASP -0.24 -1.28 1
70 ALA -1.03 0.31 1
71 ILE 0.24 -1.67 1
72 ILE -3.62 -0.95 1
73 SER -1.56 -0.80 1
74 GLU 2.84 1.71 1
75 GLU 1.66 1.82 1
76 LEU -1.18 -0.42 1
77 LEU -0.13 0.08 1
79 LYS -1.44 -0.76 1
80 ASP -1.28 -0.13 1
82 ASN -0.05 0.10 1
83 TYR 1.88 2.08 1
84 GLN -3.47 -2.60 1
85 LEU 1.61 0.89 1
86 LYS -3.90 -2.31 1
87 ASP 4.46 3.34 1
88 SER 2.81 1.63 1
89 ASP 0.73 0.72 1
90 ILE 3.16 3.49 1
91 VAL 2.37 2.23 1
92 ASN -0.94 0.66 1
93 GLU -1.05 0.62 1
94 ILE -4.99 -1.28 1
95 LYS 4.77 2.91 1
99 VAL 2.28 1.35 1
100 ILE -5.85 -2.16 1
101 LYS -3.09 -1.41 1
102 VAL -3.21 -1.12 1
103 ASP 2.25 1.09 1
105 LYS -3.83 -1.52 1
106 TYR -2.29 0.57 1
108 VAL -2.02 -0.92 1
109 TYR -4.97 -1.65 1
110 LEU -2.82 -2.10 1
111 LYS 3.07 2.54 1
112 ASP -1.47 -1.75 1
113 ALA 2.51 1.92 1
114 ALA 1.71 1.02 1
115 HIS 0.12 -0.25 1
116 ALA -1.07 -0.31 1
117 ASP 0.90 0.59 1
118 ASN 2.46 -0.42 1
120 ARG -5.75 -4.52 1
121 THR -2.83 -1.27 1
122 LYS 4.95 3.87 1
123 GLU 4.25 3.36 1
124 GLU 2.60 1.94 1
125 ILE 4.86 4.77 1
126 LYS 4.06 3.28 1
127 ARG 4.06 3.41 1
128 GLN 4.59 3.42 1
129 LYS 2.81 1.25 1
130 GLN 0.31 0.17 1
stop_
save_
save_LACS_CACB_CB_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr18943_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CB
_LACS_plot.Line_1_terminator_val_x_1 -7.41
_LACS_plot.Line_1_terminator_val_y_1 4.67
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -1.18
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 0.51
_LACS_plot.Line_2_terminator_val_x_2 5.99
_LACS_plot.Line_2_terminator_val_y_2 -1.33
_LACS_plot.Y_axis_chem_shift_offset -0.06
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
78 MET 2.70 -3.08 0
107 TYR -7.41 5.17 0
119 ILE -3.34 -0.46 0
60 HIS -4.62 4.84 0
98 TYR -6.40 5.36 0
12 SER -0.55 0.18 1
13 TYR -0.14 0.06 1
14 ILE -0.34 0.19 1
15 ASP -0.09 0.31 1
17 ASP 0.35 0.05 1
18 GLN 0.96 -0.51 1
19 ALA 0.65 -0.22 1
21 GLN -0.33 0.08 1
22 LYS -0.28 0.00 1
23 ALA -0.98 0.28 1
24 GLU -0.76 -0.08 1
25 ASN -0.06 0.32 1
26 LEU -3.88 2.50 1
27 THR 2.17 -1.54 1
29 ASP 3.41 -0.43 1
30 GLU 1.90 0.62 1
31 VAL 6.00 -1.21 1
32 SER 5.47 -0.93 1
33 LYS 3.53 -0.50 1
34 ARG 3.33 -0.64 1
35 GLU 0.42 1.06 1
37 ILE -2.08 1.05 1
38 ASN 1.23 -1.32 1
39 ALA -1.95 1.40 1
40 GLU -2.50 1.67 1
41 GLN 2.82 -2.06 1
42 ILE -1.75 1.37 1
43 VAL 3.09 -0.66 1
44 ILE -2.31 2.23 1
45 LYS -2.71 3.22 1
46 ILE -2.19 2.67 1
47 THR -5.00 2.31 1
48 ASP 2.35 -0.25 1
49 GLN -0.58 1.22 1
51 TYR -2.73 1.10 1
52 VAL -5.29 2.92 1
53 THR -4.77 0.94 1
54 SER -1.48 0.59 1
55 HIS -7.17 4.71 1
57 ASP 0.27 -0.51 1
58 HIS -0.23 0.71 1
59 TYR -4.97 3.35 1
61 TYR -3.15 1.33 1
62 TYR -4.25 2.25 1
63 ASN -1.66 1.65 1
65 LYS -1.18 0.42 1
66 VAL 1.15 0.03 1
68 TYR 3.14 0.88 1
69 ASP -0.24 -1.04 1
70 ALA -1.03 1.34 1
71 ILE 0.24 -1.91 1
72 ILE -3.62 2.67 1
73 SER -1.56 0.76 1
74 GLU 2.84 -1.13 1
75 GLU 1.66 0.16 1
76 LEU -1.18 0.76 1
77 LEU -0.13 0.21 1
79 LYS -1.44 0.68 1
80 ASP -1.28 1.15 1
82 ASN -0.05 0.15 1
83 TYR 1.88 0.20 1
84 GLN -3.47 0.87 1
85 LEU 1.61 -0.72 1
86 LYS -3.90 1.59 1
87 ASP 4.46 -1.12 1
88 SER 2.81 -1.18 1
89 ASP 0.73 -0.01 1
90 ILE 3.16 0.33 1
91 VAL 2.37 -0.14 1
92 ASN -0.94 1.60 1
93 GLU -1.05 1.67 1
94 ILE -4.99 3.71 1
95 LYS 4.77 -1.86 1
99 VAL 2.28 -0.93 1
100 ILE -5.85 3.69 1
101 LYS -3.09 1.68 1
102 VAL -3.21 2.09 1
103 ASP 2.25 -1.16 1
105 LYS -3.83 2.31 1
106 TYR -2.29 2.86 1
108 VAL -2.02 1.10 1
109 TYR -4.97 3.32 1
110 LEU -2.82 0.72 1
111 LYS 3.07 -0.53 1
112 ASP -1.47 -0.28 1
113 ALA 2.51 -0.59 1
114 ALA 1.71 -0.69 1
115 HIS 0.12 -0.37 1
116 ALA -1.07 0.76 1
117 ASP 0.90 -0.31 1
118 ASN 2.46 -2.88 1
120 ARG -5.75 1.23 1
121 THR -2.83 1.56 1
122 LYS 4.95 -1.08 1
123 GLU 4.25 -0.89 1
124 GLU 2.60 -0.66 1
125 ILE 4.86 -0.09 1
126 LYS 4.06 -0.78 1
127 ARG 4.06 -0.65 1
128 GLN 4.59 -1.17 1
129 LYS 2.81 -1.56 1
130 GLN 0.31 -0.14 1
stop_
save_
save_LACS_CACB_HA_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr18943_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name HA
_LACS_plot.Line_1_terminator_val_x_1 -7.41
_LACS_plot.Line_1_terminator_val_y_1 0.66
_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 0.16
_LACS_plot.Line_2_terminator_val_x_2 5.99
_LACS_plot.Line_2_terminator_val_y_2 -0.58
_LACS_plot.Y_axis_chem_shift_offset 0.03
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
66 VAL 1.15 -1.51 0
12 SER -0.55 -0.04 1
13 TYR -0.14 -0.01 1
14 ILE -0.34 -0.09 1
15 ASP -0.09 -0.14 1
17 ASP 0.35 -0.14 1
18 GLN 0.96 -0.22 1
19 ALA 0.65 -0.19 1
21 GLN -0.33 -0.19 1
22 LYS -0.28 -0.08 1
23 ALA -0.98 0.03 1
24 GLU -0.76 -0.09 1
25 ASN -0.06 0.14 1
26 LEU -3.88 0.38 1
27 THR 2.17 -0.12 1
29 ASP 3.41 -0.40 1
30 GLU 1.90 -0.37 1
31 VAL 6.00 -0.71 1
32 SER 5.47 -0.32 1
33 LYS 3.53 -0.27 1
34 ARG 3.33 -0.25 1
35 GLU 0.42 -0.16 1
37 ILE -2.08 0.33 1
38 ASN 1.23 0.00 1
39 ALA -1.95 -0.03 1
40 GLU -2.50 -0.10 1
41 GLN 2.82 0.27 1
42 ILE -1.75 -0.07 1
43 VAL 3.09 0.16 1
44 ILE -2.31 0.53 1
45 LYS -2.71 0.24 1
46 ILE -2.19 0.15 1
47 THR -5.00 0.38 1
48 ASP 2.35 -0.10 1
49 GLN -0.58 0.09 1
51 TYR -2.73 0.65 1
52 VAL -5.29 1.24 1
53 THR -4.77 1.28 1
54 SER -1.48 0.12 1
55 HIS -7.17 0.44 1
57 ASP 0.27 -0.33 1
58 HIS -0.23 0.04 1
59 TYR -4.97 1.00 1
60 HIS -4.62 0.07 1
61 TYR -3.15 0.47 1
62 TYR -4.25 -0.07 1
63 ASN -1.66 0.22 1
65 LYS -1.18 -0.21 1
68 TYR 3.14 -0.52 1
69 ASP -0.24 -0.08 1
70 ALA -1.03 -0.40 1
71 ILE 0.24 0.25 1
72 ILE -3.62 0.19 1
73 SER -1.56 -0.05 1
74 GLU 2.84 -0.35 1
75 GLU 1.66 -0.15 1
76 LEU -1.18 0.21 1
77 LEU -0.13 0.39 1
78 MET 2.70 0.00 1
79 LYS -1.44 0.21 1
80 ASP -1.28 -0.18 1
82 ASN -0.05 -0.08 1
83 TYR 1.88 -0.43 1
84 GLN -3.47 -0.23 1
85 LEU 1.61 -0.59 1
86 LYS -3.90 0.26 1
87 ASP 4.46 -0.56 1
88 SER 2.81 -0.30 1
89 ASP 0.73 0.14 1
90 ILE 3.16 -0.52 1
91 VAL 2.37 -0.01 1
92 ASN -0.94 0.21 1
93 GLU -1.05 0.46 1
94 ILE -4.99 0.09 1
95 LYS 4.77 -1.01 1
98 TYR -6.40 0.82 1
99 VAL 2.28 0.60 1
100 ILE -5.85 1.29 1
101 LYS -3.09 0.52 1
102 VAL -3.21 0.13 1
103 ASP 2.25 -0.36 1
105 LYS -3.83 0.23 1
106 TYR -2.29 0.67 1
107 TYR -7.41 0.67 1
108 VAL -2.02 0.78 1
109 TYR -4.97 0.37 1
110 LEU -2.82 0.38 1
111 LYS 3.07 -0.34 1
112 ASP -1.47 0.12 1
113 ALA 2.51 -0.44 1
114 ALA 1.71 -0.26 1
115 HIS 0.12 0.09 1
116 ALA -1.07 0.14 1
117 ASP 0.90 -0.03 1
118 ASN 2.46 -0.13 1
119 ILE -3.34 1.21 1
120 ARG -5.75 0.87 1
121 THR -2.83 -0.11 1
122 LYS 4.95 -0.30 1
123 GLU 4.25 -0.35 1
124 GLU 2.60 -0.10 1
125 ILE 4.86 -0.79 1
126 LYS 4.06 -0.44 1
127 ARG 4.06 -0.36 1
128 GLN 4.59 -0.30 1
129 LYS 2.81 -0.41 1
130 GLN 0.31 -0.16 1
stop_
save_
save_LACS_CACB_CO_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr18943_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CO
_LACS_plot.Line_1_terminator_val_x_1 -7.41
_LACS_plot.Line_1_terminator_val_y_1 -2.30
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 0.54
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -0.78
_LACS_plot.Line_2_terminator_val_x_2 5.99
_LACS_plot.Line_2_terminator_val_y_2 1.89
_LACS_plot.Y_axis_chem_shift_offset 0.09
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
51 TYR -2.73 -4.09 0
52 VAL -5.29 1.15 0
118 ASN 2.46 -2.74 0
12 SER -0.55 -0.76 1
13 TYR -0.14 -0.52 1
14 ILE -0.34 -1.03 1
15 ASP -0.09 0.20 1
17 ASP 0.35 0.30 1
18 GLN 0.96 -0.06 1
19 ALA 0.65 0.34 1
21 GLN -0.33 -0.80 1
22 LYS -0.28 -0.68 1
23 ALA -0.98 0.60 1
24 GLU -0.76 0.25 1
25 ASN -0.06 -0.52 1
26 LEU -3.88 -0.60 1
29 ASP 3.41 2.48 1
30 GLU 1.90 2.80 1
31 VAL 6.00 2.04 1
32 SER 5.47 2.85 1
33 LYS 3.53 2.02 1
34 ARG 3.33 2.29 1
35 GLU 0.42 2.02 1
37 ILE -2.08 -0.35 1
38 ASN 1.23 -0.72 1
39 ALA -1.95 -1.00 1
40 GLU -2.50 0.40 1
41 GLN 2.82 -2.03 1
42 ILE -1.75 -0.48 1
43 VAL 3.09 -0.18 1
44 ILE -2.31 -0.70 1
45 LYS -2.71 -3.19 1
46 ILE -2.19 -2.95 1
47 THR -5.00 -1.56 1
48 ASP 2.35 1.26 1
49 GLN -0.58 0.45 1
53 THR -4.77 -0.99 1
54 SER -1.48 -0.23 1
55 HIS -7.17 -1.73 1
57 ASP 0.27 -1.11 1
58 HIS -0.23 -2.42 1
59 TYR -4.97 -0.94 1
60 HIS -4.62 -2.36 1
61 TYR -3.15 -3.33 1
62 TYR -4.25 -1.38 1
63 ASN -1.66 1.41 1
65 LYS -1.18 0.39 1
68 TYR 3.14 0.74 1
69 ASP -0.24 -0.91 1
70 ALA -1.03 -2.22 1
71 ILE 0.24 -0.19 1
72 ILE -3.62 -1.58 1
73 SER -1.56 1.95 1
74 GLU 2.84 0.89 1
75 GLU 1.66 0.96 1
76 LEU -1.18 -0.59 1
77 LEU -0.13 0.58 1
78 MET 2.70 -1.10 1
79 LYS -1.44 -0.66 1
82 ASN -0.05 0.16 1
83 TYR 1.88 -1.34 1
84 GLN -3.47 -3.06 1
85 LEU 1.61 -1.31 1
86 LYS -3.90 0.21 1
87 ASP 4.46 2.35 1
88 SER 2.81 0.48 1
89 ASP 0.73 0.17 1
90 ILE 3.16 -0.29 1
91 VAL 2.37 0.08 1
92 ASN -0.94 -2.29 1
93 GLU -1.05 -0.82 1
94 ILE -4.99 -2.10 1
95 LYS 4.77 -0.09 1
98 TYR -6.40 -0.23 1
99 VAL 2.28 -0.29 1
100 ILE -5.85 -3.47 1
101 LYS -3.09 -1.16 1
102 VAL -3.21 0.11 1
103 ASP 2.25 -0.36 1
105 LYS -3.83 -2.77 1
106 TYR -2.29 -0.07 1
107 TYR -7.41 -1.21 1
108 VAL -2.02 -2.58 1
109 TYR -4.97 -1.98 1
110 LEU -2.82 -1.00 1
111 LYS 3.07 0.30 1
112 ASP -1.47 -0.30 1
113 ALA 2.51 0.56 1
114 ALA 1.71 0.27 1
115 HIS 0.12 -0.56 1
116 ALA -1.07 -0.14 1
117 ASP 0.90 0.59 1
119 ILE -3.34 1.26 1
120 ARG -5.75 -0.86 1
121 THR -2.83 0.71 1
122 LYS 4.95 2.80 1
123 GLU 4.25 1.91 1
124 GLU 2.60 2.01 1
125 ILE 4.86 1.97 1
126 LYS 4.06 2.33 1
127 ARG 4.06 3.16 1
128 GLN 4.59 1.49 1
129 LYS 2.81 0.58 1
130 GLN 0.31 0.36 1
stop_
save_