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 bmr16977_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CA
_LACS_plot.Line_1_terminator_val_x_1 -6.70
_LACS_plot.Line_1_terminator_val_y_1 -2.53
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 1.12
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -1.31
_LACS_plot.Line_2_terminator_val_x_2 6.57
_LACS_plot.Line_2_terminator_val_y_2 5.18
_LACS_plot.Y_axis_chem_shift_offset -0.24
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
82 ARG -6.70 -2.00 0
92 MET -6.27 -1.34 0
10 THR -3.89 -1.29 1
11 ASP 3.85 3.86 1
12 ASP 3.02 2.98 1
13 ASP 3.91 3.91 1
14 PHE 6.32 5.38 1
15 GLN 4.08 2.93 1
16 PHE 5.18 4.35 1
17 LEU 4.09 3.14 1
18 SER 4.59 3.63 1
19 ASP 4.70 3.14 1
20 VAL 6.44 5.02 1
21 LEU 2.39 1.63 1
22 ASP -0.27 0.42 1
24 ARG -0.73 0.55 1
25 ALA -5.08 -1.38 1
26 VAL -3.25 -1.87 1
27 ARG -2.59 -2.27 1
28 SER 2.52 2.17 1
29 ALA 2.13 1.79 1
30 MET 1.64 0.39 1
31 ASN 2.08 2.21 1
32 LEU 0.91 0.50 1
33 ARG -3.53 -1.37 1
34 ALA -0.34 -0.47 1
35 ALA 0.02 0.01 1
36 LEU -2.31 -0.70 1
37 THR 3.48 3.20 1
39 PHE 2.58 3.38 1
40 GLN 6.57 5.59 1
41 VAL 4.11 2.90 1
42 ALA 3.71 3.00 1
43 GLN 4.93 4.28 1
44 TYR 5.55 4.74 1
45 ARG 4.26 3.31 1
46 ASN 4.79 3.98 1
47 ILE 4.12 3.39 1
48 LEU 3.40 4.16 1
49 ASN 3.64 2.64 1
50 ALA 4.11 3.92 1
51 SER 3.12 2.48 1
52 LEU 2.89 2.36 1
53 GLN 0.76 -0.53 1
54 VAL 0.68 0.78 1
55 ASP 1.70 0.90 1
56 ARG -0.64 -1.07 1
57 ASP 2.59 2.18 1
58 ALA 3.42 2.45 1
59 ALA 4.41 3.48 1
60 ARG 3.92 3.34 1
61 SER 4.52 3.75 1
62 ARG 3.99 3.38 1
63 ARG 4.83 2.93 1
64 LEU 4.35 3.49 1
65 MET 3.36 2.22 1
66 ALA 1.57 1.84 1
67 LYS 3.15 2.48 1
68 LEU 3.44 2.59 1
69 ALA -1.19 -0.56 1
70 ASP 0.54 1.14 1
71 PHE 2.52 0.67 1
72 ALA 2.23 1.17 1
73 VAL 0.65 0.68 1
74 GLU -3.74 -1.14 1
75 GLN 0.39 0.56 1
76 GLU -2.79 -1.18 1
77 VAL -4.89 -2.68 1
78 THR 2.44 1.29 1
79 ALA -1.23 0.57 1
81 ASP -4.94 -0.86 1
83 VAL -3.94 -3.55 1
84 VAL -0.85 -1.62 1
85 VAL 3.81 3.02 1
86 ILE -4.36 -0.48 1
89 LEU -0.54 0.49 1
90 ASP -3.87 -2.04 1
91 ARG 0.29 1.21 1
93 ALA 3.38 4.70 1
94 HIS -2.16 -0.28 1
95 PHE -2.35 -0.79 1
96 LYS 4.93 2.96 1
97 ASP 0.24 -1.05 1
98 ASP -3.78 -1.46 1
99 LEU -4.70 -2.29 1
100 VAL -2.86 -2.20 1
101 LEU -2.38 -0.81 1
102 VAL -0.32 1.15 1
104 LEU -1.79 -0.15 1
105 THR -1.69 -0.35 1
106 THR -4.20 -1.39 1
107 LYS 1.65 0.30 1
108 VAL -2.78 -0.90 1
109 VAL -2.75 -1.07 1
112 SER 1.51 1.98 1
113 ARG -2.46 -0.37 1
115 THR 1.20 1.57 1
116 ILE -1.71 0.49 1
118 ASP 1.22 -0.42 1
119 VAL -5.15 -2.32 1
120 VAL -0.71 -0.12 1
121 LYS -0.37 0.48 1
122 GLU -0.07 1.53 1
stop_
save_
save_LACS_CACB_CB_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr16977_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CB
_LACS_plot.Line_1_terminator_val_x_1 -6.70
_LACS_plot.Line_1_terminator_val_y_1 4.17
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -0.88
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 0.69
_LACS_plot.Line_2_terminator_val_x_2 6.57
_LACS_plot.Line_2_terminator_val_y_2 -1.39
_LACS_plot.Y_axis_chem_shift_offset -0.24
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
82 ARG -6.70 4.70 0
92 MET -6.27 4.93 0
10 THR -3.89 2.60 1
11 ASP 3.85 0.01 1
12 ASP 3.02 -0.04 1
13 ASP 3.91 0.00 1
14 PHE 6.32 -0.94 1
15 GLN 4.08 -1.15 1
16 PHE 5.18 -0.83 1
17 LEU 4.09 -0.95 1
18 SER 4.59 -0.96 1
19 ASP 4.70 -1.56 1
20 VAL 6.44 -1.42 1
21 LEU 2.39 -0.76 1
22 ASP -0.27 0.69 1
24 ARG -0.73 1.28 1
25 ALA -5.08 3.70 1
26 VAL -3.25 1.38 1
27 ARG -2.59 0.32 1
28 SER 2.52 -0.35 1
29 ALA 2.13 -0.34 1
30 MET 1.64 -1.25 1
31 ASN 2.08 0.13 1
32 LEU 0.91 -0.41 1
33 ARG -3.53 2.16 1
34 ALA -0.34 -0.13 1
35 ALA 0.02 -0.01 1
36 LEU -2.31 1.61 1
37 THR 3.48 -0.28 1
39 PHE 2.58 0.80 1
40 GLN 6.57 -0.98 1
41 VAL 4.11 -1.21 1
42 ALA 3.71 -0.71 1
43 GLN 4.93 -0.65 1
44 TYR 5.55 -0.81 1
45 ARG 4.26 -0.95 1
46 ASN 4.79 -0.81 1
47 ILE 4.12 -0.73 1
48 LEU 3.40 0.76 1
49 ASN 3.64 -1.00 1
50 ALA 4.11 -0.19 1
51 SER 3.12 -0.64 1
52 LEU 2.89 -0.53 1
53 GLN 0.76 -1.29 1
54 VAL 0.68 0.10 1
55 ASP 1.70 -0.80 1
56 ARG -0.64 -0.43 1
57 ASP 2.59 -0.41 1
58 ALA 3.42 -0.97 1
59 ALA 4.41 -0.93 1
60 ARG 3.92 -0.58 1
61 SER 4.52 -0.77 1
62 ARG 3.99 -0.61 1
63 ARG 4.83 -1.90 1
64 LEU 4.35 -0.86 1
65 MET 3.36 -1.14 1
66 ALA 1.57 0.27 1
67 LYS 3.15 -0.67 1
68 LEU 3.44 -0.85 1
69 ALA -1.19 0.63 1
70 ASP 0.54 0.60 1
71 PHE 2.52 -1.85 1
72 ALA 2.23 -1.06 1
73 VAL 0.65 0.03 1
74 GLU -3.74 2.60 1
75 GLN 0.39 0.17 1
76 GLU -2.79 1.61 1
77 VAL -4.89 2.21 1
78 THR 2.44 -1.15 1
79 ALA -1.23 1.80 1
81 ASP -4.94 4.08 1
83 VAL -3.94 0.39 1
84 VAL -0.85 -0.77 1
85 VAL 3.81 -0.79 1
86 ILE -4.36 3.88 1
89 LEU -0.54 1.03 1
90 ASP -3.87 1.83 1
91 ARG 0.29 0.92 1
93 ALA 3.38 1.32 1
94 HIS -2.16 1.88 1
95 PHE -2.35 1.56 1
96 LYS 4.93 -1.97 1
97 ASP 0.24 -1.29 1
98 ASP -3.78 2.32 1
99 LEU -4.70 2.41 1
100 VAL -2.86 0.66 1
101 LEU -2.38 1.57 1
102 VAL -0.32 1.47 1
104 LEU -1.79 1.64 1
105 THR -1.69 1.34 1
106 THR -4.20 2.81 1
107 LYS 1.65 -1.35 1
108 VAL -2.78 1.88 1
109 VAL -2.75 1.68 1
112 SER 1.51 0.47 1
113 ARG -2.46 2.09 1
115 THR 1.20 0.37 1
116 ILE -1.71 2.20 1
118 ASP 1.22 -1.64 1
119 VAL -5.15 2.83 1
120 VAL -0.71 0.59 1
121 LYS -0.37 0.85 1
122 GLU -0.07 1.60 1
stop_
save_
save_LACS_CACB_HA_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr16977_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name HA
_LACS_plot.Line_1_terminator_val_x_1 -6.70
_LACS_plot.Line_1_terminator_val_y_1 0.58
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -0.17
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 0.20
_LACS_plot.Line_2_terminator_val_x_2 6.57
_LACS_plot.Line_2_terminator_val_y_2 -0.59
_LACS_plot.Y_axis_chem_shift_offset -0.01
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
105 THR -1.69 1.31 0
10 THR -3.89 0.36 1
11 ASP 3.85 0.49 1
12 ASP 3.02 -0.20 1
13 ASP 3.91 -0.35 1
14 PHE 6.32 -0.47 1
15 GLN 4.08 -0.37 1
16 PHE 5.18 -0.33 1
17 LEU 4.09 -0.60 1
18 SER 4.59 -0.63 1
19 ASP 4.70 -0.43 1
20 VAL 6.44 -0.77 1
21 LEU 2.39 -0.33 1
22 ASP -0.27 0.20 1
24 ARG -0.73 -0.15 1
25 ALA -5.08 0.35 1
26 VAL -3.25 0.80 1
27 ARG -2.59 0.53 1
28 SER 2.52 -0.53 1
29 ALA 2.13 -0.29 1
30 MET 1.64 -0.13 1
31 ASN 2.08 -0.25 1
32 LEU 0.91 -0.09 1
33 ARG -3.53 0.15 1
34 ALA -0.34 -0.02 1
35 ALA 0.02 -0.01 1
36 LEU -2.31 0.06 1
37 THR 3.48 -0.24 1
39 PHE 2.58 -0.36 1
40 GLN 6.57 -0.66 1
41 VAL 4.11 -0.30 1
42 ALA 3.71 -0.38 1
43 GLN 4.93 -0.23 1
44 TYR 5.55 -0.66 1
45 ARG 4.26 -0.28 1
46 ASN 4.79 -0.41 1
47 ILE 4.12 -0.55 1
48 LEU 3.40 -0.64 1
49 ASN 3.64 -0.29 1
50 ALA 4.11 -0.16 1
51 SER 3.12 -0.17 1
52 LEU 2.89 -0.35 1
53 GLN 0.76 0.15 1
54 VAL 0.68 -0.77 1
55 ASP 1.70 -0.22 1
56 ARG -0.64 -0.11 1
57 ASP 2.59 -0.29 1
58 ALA 3.42 -0.28 1
59 ALA 4.41 -0.45 1
60 ARG 3.92 -0.18 1
61 SER 4.52 -0.33 1
62 ARG 3.99 -0.22 1
63 ARG 4.83 -0.29 1
64 LEU 4.35 -0.50 1
65 MET 3.36 -0.10 1
66 ALA 1.57 0.01 1
67 LYS 3.15 -0.36 1
68 LEU 3.44 -0.25 1
69 ALA -1.19 0.23 1
70 ASP 0.54 -0.13 1
71 PHE 2.52 -0.84 1
72 ALA 2.23 -0.22 1
73 VAL 0.65 -0.07 1
74 GLU -3.74 0.31 1
75 GLN 0.39 -0.12 1
76 GLU -2.79 0.43 1
77 VAL -4.89 0.21 1
78 THR 2.44 -0.52 1
79 ALA -1.23 0.22 1
81 ASP -4.94 1.10 1
82 ARG -6.70 0.33 1
83 VAL -3.94 1.14 1
84 VAL -0.85 0.67 1
85 VAL 3.81 -0.03 1
86 ILE -4.36 0.21 1
89 LEU -0.54 0.00 1
90 ASP -3.87 0.24 1
91 ARG 0.29 0.37 1
92 MET -6.27 0.48 1
93 ALA 3.38 -0.45 1
94 HIS -2.16 0.05 1
95 PHE -2.35 -0.13 1
96 LYS 4.93 -0.40 1
97 ASP 0.24 0.25 1
98 ASP -3.78 0.93 1
99 LEU -4.70 0.42 1
100 VAL -2.86 0.69 1
101 LEU -2.38 -0.01 1
102 VAL -0.32 0.33 1
104 LEU -1.79 0.28 1
106 THR -4.20 -0.06 1
107 LYS 1.65 0.21 1
108 VAL -2.78 0.06 1
109 VAL -2.75 0.37 1
112 SER 1.51 -0.28 1
113 ARG -2.46 1.22 1
115 THR 1.20 0.12 1
116 ILE -1.71 0.37 1
118 ASP 1.22 0.50 1
119 VAL -5.15 0.46 1
120 VAL -0.71 0.45 1
121 LYS -0.37 -0.17 1
122 GLU -0.07 -0.20 1
stop_
save_
save_LACS_CACB_CO_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr16977_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CO
_LACS_plot.Line_1_terminator_val_x_1 -6.70
_LACS_plot.Line_1_terminator_val_y_1 -3.24
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 0.66
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -1.19
_LACS_plot.Line_2_terminator_val_x_2 6.57
_LACS_plot.Line_2_terminator_val_y_2 2.66
_LACS_plot.Y_axis_chem_shift_offset 0.26
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
10 THR -3.89 0.95 0
96 LYS 4.93 -1.21 0
85 VAL 3.81 -2.17 0
11 ASP 3.85 2.05 1
12 ASP 3.02 2.73 1
13 ASP 3.91 1.92 1
14 PHE 6.32 2.18 1
15 GLN 4.08 1.49 1
16 PHE 5.18 1.18 1
17 LEU 4.09 0.59 1
18 SER 4.59 1.85 1
19 ASP 4.70 3.98 1
20 VAL 6.44 2.18 1
21 LEU 2.39 -0.97 1
22 ASP -0.27 1.53 1
24 ARG -0.73 -1.38 1
25 ALA -5.08 -3.40 1
26 VAL -3.25 -0.42 1
27 ARG 2.52 0.71 1
29 ALA 2.13 1.31 1
30 MET 1.64 0.23 1
31 ASN 2.08 -1.00 1
32 LEU 0.91 0.32 1
33 ARG -3.53 -2.37 1
34 ALA -0.34 0.91 1
35 ALA 0.02 0.75 1
36 LEU 3.48 1.87 1
39 PHE 2.58 3.34 1
40 GLN 6.57 1.13 1
41 VAL 4.11 2.48 1
42 ALA 3.71 2.86 1
43 GLN 4.93 2.12 1
44 TYR 5.55 1.90 1
45 ARG 4.26 3.14 1
46 ASN 4.79 2.64 1
47 ILE 4.12 1.25 1
48 LEU 3.40 1.61 1
49 ASN 3.64 2.79 1
50 ALA 4.11 0.45 1
51 SER 3.12 2.33 1
52 LEU 2.89 0.97 1
53 GLN 0.76 -0.38 1
54 VAL 0.68 0.81 1
55 ASP 1.70 0.04 1
56 ARG -0.64 -1.39 1
57 ASP 2.59 2.03 1
58 ALA 3.42 2.76 1
59 ALA 4.41 1.49 1
60 ARG 3.92 2.53 1
61 SER 4.52 3.27 1
62 ARG 3.99 2.91 1
63 ARG 4.83 1.62 1
64 LEU 4.35 3.11 1
65 MET 3.36 2.11 1
66 ALA 1.57 2.26 1
67 LYS 3.15 0.57 1
68 LEU 3.44 0.53 1
69 ALA -1.19 -0.59 1
70 ASP 0.54 -0.03 1
71 PHE 2.52 -1.37 1
72 ALA 2.23 0.34 1
73 VAL 0.65 -0.97 1
74 GLU -3.74 -1.46 1
75 GLN 0.39 -0.80 1
76 GLU -2.79 -1.59 1
77 VAL -4.89 -1.70 1
78 THR 2.44 0.55 1
79 ALA -1.23 -2.60 1
81 ASP -4.94 -0.65 1
82 ARG -6.70 -2.43 1
83 VAL -3.94 -3.71 1
84 VAL -0.85 -2.07 1
86 ILE -4.36 -2.00 1
89 LEU -0.54 -1.39 1
90 ASP -3.87 -3.21 1
91 ARG 0.29 -0.37 1
92 MET -6.27 -1.98 1
93 ALA 3.38 -0.41 1
94 HIS -2.16 -2.79 1
95 PHE -2.35 -2.25 1
97 ASP 0.24 -1.79 1
98 ASP -3.78 -1.13 1
99 LEU -4.70 -2.09 1
100 VAL -2.86 -1.48 1
101 LEU -0.32 -0.61 1
104 LEU -1.79 -2.72 1
105 THR -1.69 -1.29 1
106 THR -4.20 -2.63 1
107 LYS 1.65 -0.50 1
108 VAL -2.78 0.17 1
109 VAL -2.75 -1.56 1
112 SER 1.51 -2.33 1
113 ARG -2.46 0.39 1
115 THR 1.20 -1.51 1
116 ILE -1.71 -0.90 1
118 ASP 1.22 -0.19 1
119 VAL -5.15 -2.24 1
120 VAL -0.71 0.20 1
121 LYS -0.37 -1.57 1
stop_
save_