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 bmr17110_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CA
_LACS_plot.Line_1_terminator_val_x_1 -8.32
_LACS_plot.Line_1_terminator_val_y_1 -3.01
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 0.57
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -1.37
_LACS_plot.Line_2_terminator_val_x_2 6.37
_LACS_plot.Line_2_terminator_val_y_2 4.38
_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
139 SER -2.46 3.41 0
103 LYS -8.32 0.25 0
10 ARG -5.80 -1.47 1
11 VAL -2.06 -1.01 1
12 THR -2.67 -1.62 1
13 ASN -1.69 -1.52 1
15 ALA 1.16 1.58 1
16 THR -2.43 -1.14 1
18 HIS 1.51 1.88 1
19 LEU -1.41 -0.93 1
20 PHE -1.40 -0.67 1
21 ASP -3.34 -1.40 1
22 LEU 0.70 -1.03 1
23 THR 6.38 5.44 1
24 SER 3.88 2.61 1
25 LEU 0.45 -0.11 1
26 LYS 2.96 2.05 1
27 ARG -5.07 -1.95 1
28 GLU 3.97 3.28 1
29 SER 0.40 0.11 1
31 TYR -2.92 -0.59 1
32 THR -0.90 0.06 1
33 ILE -4.85 -1.53 1
34 THR -4.18 -2.37 1
35 ASP -3.66 -1.90 1
36 SER 2.93 1.93 1
37 HIS 0.53 0.01 1
38 ASN 3.62 1.69 1
39 ARG 0.92 0.70 1
40 LYS -0.95 -0.35 1
41 ILE 0.08 -0.05 1
42 GLU -4.32 -2.55 1
43 LEU -5.38 -1.49 1
44 ASN -6.86 -2.97 1
45 VAL -0.15 0.30 1
47 ALA -3.91 -1.03 1
48 GLU -0.20 0.13 1
49 ALA -0.37 -1.28 1
50 LYS 1.48 -0.72 1
51 SER -3.29 -0.36 1
52 SER 1.13 0.62 1
54 ALA -0.96 -0.27 1
55 ASN 2.36 1.14 1
57 ALA 0.71 0.71 1
58 ALA 0.57 0.42 1
59 VAL -3.03 -0.59 1
61 ILE -1.18 -0.08 1
62 THR 0.65 0.58 1
63 ASP -3.52 -2.62 1
66 LYS -1.59 -0.35 1
67 THR -2.08 -0.99 1
68 LEU -4.41 -0.99 1
69 ASN 0.76 -0.56 1
70 ALA -0.79 -1.96 1
72 LYS -1.53 0.28 1
73 LEU 1.82 2.35 1
74 SER -3.75 -1.56 1
75 LYS -1.01 -1.25 1
76 THR 0.47 0.57 1
77 LEU -4.79 -1.94 1
78 THR -2.93 -1.18 1
79 TYR -2.13 -0.51 1
80 GLU -3.87 -1.46 1
81 ASP 2.91 1.32 1
82 GLN 4.44 2.45 1
83 VAL -3.05 -1.33 1
84 LEU -2.77 -2.51 1
85 LYS -4.49 -1.57 1
86 LEU -6.79 -1.09 1
87 VAL -3.13 -1.70 1
88 TYR -4.30 -3.98 1
89 GLU -5.46 -1.61 1
90 ASP 3.81 2.12 1
92 ASP 3.73 2.27 1
96 THR 2.54 1.68 1
97 ASP 0.00 0.20 1
98 LEU 2.65 1.81 1
99 LYS 2.22 1.24 1
100 MET -2.84 -0.96 1
101 LYS 0.63 -1.87 1
104 SER -3.61 0.79 1
105 TYR -5.60 -2.00 1
106 PHE -3.59 -0.64 1
107 SER -2.23 -1.48 1
108 PHE -0.95 -1.19 1
109 VAL -4.61 -2.16 1
111 LYS -2.36 0.12 1
112 SER 3.62 2.93 1
113 ASP -0.48 -1.42 1
114 ALA -0.04 0.34 1
116 ASP 1.33 1.13 1
117 ASP -0.17 -0.56 1
118 SER 0.00 0.66 1
119 GLN -3.37 -1.45 1
121 VAL -4.05 -1.44 1
122 PHE 1.13 0.73 1
123 LEU -0.53 0.53 1
124 SER -0.31 -0.20 1
125 PHE -5.68 -2.47 1
126 ASP -3.19 -2.14 1
127 GLU 1.86 1.84 1
128 GLN 3.46 2.66 1
129 THR -2.83 -1.86 1
131 THR -1.92 -1.87 1
132 SER -0.75 1.16 1
133 TYR -1.27 0.44 1
134 PHE -6.15 -1.69 1
135 SER -4.13 -2.00 1
136 TRP -3.90 -1.16 1
137 HIS 0.29 0.73 1
138 THR -1.62 -2.65 1
140 LEU 1.20 1.30 1
141 ALA -0.91 -1.23 1
143 GLU -1.43 -0.54 1
144 GLU -1.01 -0.43 1
145 GLU -0.45 0.01 1
146 VAL 0.08 0.10 1
148 ARG -1.25 -0.07 1
stop_
save_
save_LACS_CACB_CB_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr17110_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CB
_LACS_plot.Line_1_terminator_val_x_1 -8.32
_LACS_plot.Line_1_terminator_val_y_1 5.31
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -1.43
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 0.63
_LACS_plot.Line_2_terminator_val_x_2 6.37
_LACS_plot.Line_2_terminator_val_y_2 -1.99
_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
139 SER -2.46 5.87 0
103 LYS -8.32 8.57 0
10 ARG -5.80 4.33 1
11 VAL -2.06 1.05 1
12 THR -2.67 1.05 1
13 ASN -1.69 0.17 1
15 ALA 1.16 0.42 1
16 THR -2.43 1.29 1
18 HIS 1.51 0.37 1
19 LEU -1.41 0.48 1
20 PHE -1.40 0.73 1
21 ASP -3.34 1.94 1
22 LEU 0.70 -1.73 1
23 THR 6.38 -0.94 1
24 SER 3.88 -1.27 1
25 LEU 0.45 -0.56 1
26 LYS 2.96 -0.91 1
27 ARG -5.07 3.12 1
28 GLU 3.97 -0.69 1
29 SER 0.40 -0.29 1
31 TYR -2.92 2.33 1
32 THR -0.90 0.96 1
33 ILE -4.85 3.32 1
34 THR -4.18 1.81 1
35 ASP -3.66 1.76 1
36 SER 2.93 -1.00 1
37 HIS 0.53 -0.52 1
38 ASN 3.62 -1.93 1
39 ARG 0.92 -0.22 1
40 LYS -0.95 0.60 1
41 ILE 0.08 -0.13 1
42 GLU -4.32 1.77 1
43 LEU -5.38 3.89 1
44 ASN -6.86 3.89 1
45 VAL -0.15 0.45 1
47 ALA -3.91 2.88 1
48 GLU -0.20 0.33 1
49 ALA -0.37 -0.91 1
50 LYS 1.48 -2.20 1
51 SER -3.29 2.93 1
52 SER 1.13 -0.51 1
54 ALA -0.96 0.69 1
55 ASN 2.36 -1.22 1
57 ALA 0.71 0.00 1
58 ALA 0.57 -0.15 1
59 VAL -3.03 2.44 1
61 ILE -1.18 1.10 1
62 THR 0.65 -0.07 1
63 ASP -3.52 0.90 1
66 LYS -1.59 1.24 1
67 THR -2.08 1.09 1
68 LEU -4.41 3.42 1
69 ASN 0.76 -1.32 1
70 ALA -0.79 -1.17 1
72 LYS -1.53 1.81 1
73 LEU 1.82 0.53 1
74 SER -3.75 2.19 1
75 LYS -1.01 -0.24 1
76 THR 0.47 0.10 1
77 LEU -4.79 2.85 1
78 THR -2.93 1.75 1
79 TYR -2.13 1.62 1
80 GLU -3.87 2.41 1
81 ASP 2.91 -1.59 1
82 GLN 4.44 -1.99 1
83 VAL -3.05 1.72 1
84 LEU -2.77 0.26 1
85 LYS -4.49 2.92 1
86 LEU -6.79 5.70 1
87 VAL -3.13 1.43 1
88 TYR -4.30 0.32 1
89 GLU -5.46 3.85 1
90 ASP 3.81 -1.69 1
92 ASP 3.73 -1.46 1
96 THR 2.54 -0.86 1
97 ASP 0.00 0.20 1
98 LEU 2.65 -0.84 1
99 LYS 2.22 -0.98 1
100 MET -2.84 1.88 1
101 LYS 0.63 -2.50 1
104 SER -3.61 4.40 1
105 TYR -5.60 3.60 1
106 PHE -3.59 2.95 1
107 SER -2.23 0.75 1
108 PHE -0.95 -0.24 1
109 VAL -4.61 2.45 1
111 LYS -2.36 2.48 1
112 SER 3.62 -0.69 1
113 ASP -0.48 -0.94 1
114 ALA -0.04 0.38 1
116 ASP 1.33 -0.20 1
117 ASP -0.17 -0.39 1
118 SER 0.00 0.66 1
119 GLN -3.37 1.92 1
121 VAL -4.05 2.61 1
122 PHE 1.13 -0.40 1
123 LEU -0.53 1.06 1
124 SER -0.31 0.11 1
125 PHE -5.68 3.21 1
126 ASP -3.19 1.05 1
127 GLU 1.86 -0.02 1
128 GLN 3.46 -0.80 1
129 THR -2.83 0.97 1
131 THR -1.92 0.05 1
132 SER -0.75 1.91 1
133 TYR -1.27 1.71 1
134 PHE -6.15 4.46 1
135 SER -4.13 2.13 1
136 TRP -3.90 2.74 1
137 HIS 0.29 0.44 1
138 THR -1.62 -1.03 1
140 LEU 1.20 0.10 1
141 ALA -0.91 -0.32 1
143 GLU -1.43 0.89 1
144 GLU -1.01 0.58 1
145 GLU -0.45 0.46 1
146 VAL 0.08 0.02 1
148 ARG -1.25 1.18 1
stop_
save_
save_LACS_CACB_HA_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr17110_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name HA
_LACS_plot.Line_1_terminator_val_x_1 -8.32
_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 -0.15
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 0.30
_LACS_plot.Line_2_terminator_val_x_2 6.37
_LACS_plot.Line_2_terminator_val_y_2 -0.68
_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
103 LYS -8.32 0.02 0
10 ARG -5.80 1.00 1
11 VAL -2.06 0.43 1
12 THR -2.67 1.15 1
13 ASN -1.69 -0.66 1
15 ALA 1.16 -0.02 1
16 THR -2.43 0.15 1
18 HIS 1.51 -0.77 1
19 LEU -1.41 -0.08 1
20 PHE -1.40 0.11 1
21 ASP -3.34 0.40 1
22 LEU 0.70 0.03 1
23 THR 6.38 -0.71 1
24 SER 3.88 -0.24 1
25 LEU 0.45 0.02 1
26 LYS 2.96 -0.02 1
27 ARG -5.07 0.56 1
28 GLU 3.97 -0.34 1
29 SER 0.40 -0.04 1
31 TYR -2.92 0.23 1
32 THR -0.90 1.15 1
33 ILE -4.85 0.73 1
34 THR -4.18 1.13 1
35 ASP -3.66 0.27 1
36 SER 2.93 -0.19 1
37 HIS 0.53 0.06 1
38 ASN 3.62 -0.41 1
39 ARG 0.92 0.02 1
40 LYS -0.95 0.28 1
41 ILE 0.08 0.54 1
42 GLU -4.32 1.10 1
43 LEU -5.38 1.52 1
44 ASN -6.86 0.47 1
45 VAL -0.15 -0.38 1
47 ALA -3.91 -0.10 1
48 GLU -0.20 -0.57 1
49 ALA -0.37 -0.07 1
50 LYS 1.48 0.16 1
51 SER -3.29 0.32 1
52 SER 1.13 -0.01 1
54 ALA -0.96 -0.03 1
55 ASN 2.36 -0.37 1
57 ALA 0.71 -0.27 1
58 ALA 0.57 -0.06 1
59 VAL -3.03 0.48 1
61 ILE -1.18 0.74 1
62 THR 0.65 0.58 1
63 ASP -3.52 0.19 1
66 LYS -1.59 0.21 1
67 THR -2.08 0.47 1
68 LEU -4.41 0.16 1
69 ASN 0.76 0.08 1
70 ALA -0.79 0.21 1
72 LYS -1.53 0.18 1
73 LEU 1.82 -1.05 1
74 SER -3.75 0.11 1
75 LYS -1.01 0.52 1
76 THR 0.47 0.16 1
77 LEU -4.79 0.70 1
78 THR -2.93 0.40 1
79 TYR -2.13 0.36 1
80 GLU -3.87 -0.01 1
81 ASP 2.91 -0.41 1
82 GLN 4.44 -0.78 1
83 VAL -3.05 0.31 1
84 LEU -2.77 0.90 1
85 LYS -4.49 1.31 1
86 LEU -6.79 0.32 1
87 VAL -3.13 0.72 1
88 TYR -4.30 0.83 1
89 GLU -5.46 0.80 1
90 ASP 3.81 -0.41 1
92 ASP 3.73 -0.01 1
96 THR 2.54 -0.38 1
97 ASP 0.00 -0.17 1
98 LEU 2.65 0.03 1
99 LYS 2.22 -0.05 1
100 MET -2.84 0.20 1
101 LYS 0.63 0.36 1
104 SER -3.61 1.43 1
105 TYR -5.60 0.50 1
106 PHE -3.59 0.13 1
107 SER -2.23 0.68 1
108 PHE -0.95 0.88 1
109 VAL -4.61 0.21 1
111 LYS -2.36 0.25 1
112 SER 3.62 -0.28 1
113 ASP -0.48 0.09 1
114 ALA -0.04 0.08 1
116 ASP 1.33 0.04 1
117 ASP -0.17 0.27 1
118 SER 0.00 0.14 1
119 GLN -3.37 -0.28 1
121 VAL -4.05 0.18 1
122 PHE 1.13 -0.60 1
123 LEU -0.53 -0.09 1
124 SER -0.31 -0.26 1
125 PHE -5.68 1.03 1
126 ASP -3.19 0.09 1
127 GLU 1.86 -0.73 1
128 GLN 3.46 -0.33 1
129 THR -2.83 0.10 1
131 THR -1.92 0.60 1
132 SER -0.75 0.75 1
133 TYR -1.27 0.48 1
134 PHE -6.15 0.65 1
135 SER -4.13 0.90 1
136 TRP -3.90 0.24 1
137 HIS 0.29 0.79 1
138 THR -1.62 0.86 1
139 SER -2.46 0.07 1
140 LEU 1.20 -0.08 1
141 ALA -0.91 0.24 1
143 GLU -1.43 -0.68 1
144 GLU -1.01 -0.09 1
145 GLU -0.45 -0.09 1
146 VAL 0.08 -0.03 1
148 ARG -1.25 -0.11 1
stop_
save_
save_LACS_CACB_CO_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr17110_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CO
_LACS_plot.Line_1_terminator_val_x_1 -8.32
_LACS_plot.Line_1_terminator_val_y_1 -2.05
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -0.43
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -1.06
_LACS_plot.Line_2_terminator_val_x_2 6.37
_LACS_plot.Line_2_terminator_val_y_2 0.42
_LACS_plot.Y_axis_chem_shift_offset 0.73
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
35 ASP -3.66 2.47 0
23 THR 6.38 2.73 0
10 ARG -5.80 -1.48 1
11 VAL -2.06 -4.51 1
12 THR -2.67 0.27 1
15 ALA 1.16 1.07 1
16 THR -2.43 1.69 1
18 HIS 1.51 -1.51 1
19 LEU -1.41 -2.78 1
20 PHE -1.40 -1.44 1
21 ASP -3.34 0.54 1
22 LEU 0.70 -0.50 1
24 SER 3.88 0.72 1
25 LEU 0.45 1.12 1
26 LYS 2.96 -0.11 1
27 ARG -5.07 1.23 1
28 GLU 3.97 1.08 1
29 SER 0.40 -0.04 1
31 TYR -2.92 -0.66 1
32 THR -0.90 -0.40 1
33 ILE -4.85 -2.31 1
34 THR -4.18 -0.65 1
36 SER 2.93 0.49 1
37 HIS 0.53 -0.44 1
38 ASN 3.62 -0.53 1
39 ARG 0.92 -0.03 1
40 LYS -0.95 -1.93 1
41 ILE 0.08 -2.06 1
42 GLU -4.32 -1.45 1
43 LEU -5.38 -2.97 1
44 ASN -6.86 0.62 1
45 VAL -0.15 1.05 1
47 ALA -3.91 -4.82 1
48 GLU -0.20 0.48 1
49 ALA -0.37 -1.07 1
50 LYS 1.48 -1.40 1
51 SER -3.29 -0.62 1
52 SER 1.13 0.16 1
54 ALA -0.96 -1.09 1
55 ASN 2.36 0.23 1
57 ALA 0.71 -0.40 1
58 ALA 0.57 -2.58 1
59 VAL -3.03 -2.45 1
61 ILE -1.18 -0.95 1
62 THR 0.65 -1.58 1
63 ASP -3.52 -0.22 1
66 LYS -1.59 -1.29 1
67 THR -2.08 -1.11 1
68 LEU -4.41 -3.50 1
69 ASN 0.76 -1.33 1
70 ALA -0.79 0.38 1
72 LYS -1.53 -0.93 1
73 LEU 1.82 -2.77 1
74 SER -3.75 -1.35 1
75 LYS -1.01 -1.16 1
76 THR 0.47 -2.20 1
77 LEU -4.79 -1.44 1
78 THR -2.93 -2.00 1
79 TYR -2.13 -1.28 1
80 GLU -3.87 -1.64 1
81 ASP 2.91 -2.03 1
82 GLN 4.44 -1.87 1
83 VAL -3.05 -2.48 1
84 LEU -2.77 -1.67 1
85 LYS -4.49 -1.72 1
86 LEU -6.79 -3.88 1
87 VAL -3.13 -1.71 1
88 TYR -4.30 -0.16 1
89 GLU -5.46 -0.66 1
90 ASP 3.81 -0.97 1
96 THR 2.54 -0.20 1
97 ASP 0.00 -0.83 1
98 LEU 2.65 0.65 1
99 LYS 2.22 0.97 1
100 MET -2.84 -1.52 1
103 LYS -8.32 -3.36 1
104 SER -3.61 -2.99 1
105 TYR -5.60 -1.41 1
106 PHE -3.59 -1.07 1
107 SER -2.23 -2.00 1
108 PHE -0.95 -1.61 1
109 VAL -4.61 -0.98 1
111 LYS -2.36 -0.74 1
112 SER 3.62 -0.25 1
113 ASP -0.48 -0.31 1
114 ALA -0.04 0.01 1
116 ASP 1.33 -0.16 1
117 ASP -0.17 0.32 1
118 SER 0.00 -0.77 1
121 VAL -4.05 -0.77 1
122 PHE 1.13 -1.59 1
123 LEU -0.53 -1.02 1
124 SER -0.31 -4.23 1
125 PHE -5.68 -1.80 1
126 ASP -3.19 -0.40 1
127 GLU 1.86 0.59 1
128 GLN 3.46 0.68 1
129 THR -2.83 -0.85 1
132 SER -0.75 -2.71 1
133 TYR -1.27 -1.62 1
134 PHE -6.15 0.39 1
135 SER -4.13 -1.48 1
136 TRP -3.90 -0.87 1
137 HIS 0.29 0.03 1
138 THR -1.62 -0.05 1
139 SER -2.46 -1.10 1
140 LEU 1.20 -0.57 1
141 ALA -0.91 -2.97 1
143 GLU -1.43 -1.72 1
144 GLU -1.01 -0.53 1
145 GLU -0.45 -0.36 1
stop_
save_