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 bmr11450_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CA
_LACS_plot.Line_1_terminator_val_x_1 -6.56
_LACS_plot.Line_1_terminator_val_y_1 -2.17
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 0.85
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -1.10
_LACS_plot.Line_2_terminator_val_x_2 7.60
_LACS_plot.Line_2_terminator_val_y_2 5.44
_LACS_plot.Y_axis_chem_shift_offset -0.20
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
30 ILE -0.25 -3.17 0
58 MET 2.41 -1.89 0
27 LYS -3.75 -0.69 1
28 MET -3.55 0.06 1
29 PHE -2.40 -1.49 1
33 LEU -1.77 -0.96 1
34 SER 0.52 -0.29 1
35 TRP 2.17 0.80 1
36 GLN 0.49 0.41 1
37 THR 3.76 2.36 1
38 THR -5.17 -2.50 1
39 GLN 5.56 3.97 1
40 GLU 5.22 3.74 1
42 LEU 2.21 2.70 1
43 ARG 4.94 4.28 1
44 GLU 2.67 2.34 1
45 TYR 3.65 4.24 1
46 PHE 7.60 5.91 1
48 GLN 1.41 1.40 1
49 PHE 0.37 0.93 1
51 GLU 0.61 0.56 1
52 VAL -0.09 0.34 1
53 LYS -0.68 0.58 1
54 GLU -4.28 -0.89 1
56 LEU -5.38 -1.15 1
57 VAL -0.74 0.54 1
59 ARG -4.59 -1.70 1
60 ASP -2.26 -0.30 1
62 LEU 1.82 1.63 1
63 THR -0.68 0.22 1
64 LYS 5.50 1.57 1
65 ARG -0.00 0.11 1
66 SER 1.73 1.71 1
67 ARG -1.02 0.09 1
69 PHE -5.06 -2.91 1
71 PHE -6.56 -1.27 1
72 VAL -4.77 -1.66 1
73 THR -0.33 -0.57 1
74 PHE -0.64 1.17 1
75 MET 1.54 1.31 1
76 ASP -4.26 -1.14 1
77 GLN 2.73 1.92 1
78 ALA 3.64 2.50 1
80 VAL 4.17 2.77 1
81 ASP 4.22 3.11 1
82 LYS 3.72 3.58 1
83 VAL 6.70 4.98 1
84 LEU 2.46 1.29 1
85 ALA 0.68 0.39 1
86 GLN -0.63 -0.82 1
87 SER 2.93 2.66 1
88 ARG -2.42 -0.61 1
89 HIS -4.47 0.92 1
90 GLU -5.27 -2.34 1
91 LEU -3.46 -0.82 1
92 ASP 4.25 2.07 1
93 SER 3.39 1.53 1
94 LYS -4.90 -2.73 1
95 THR 2.22 1.02 1
96 ILE -1.58 -0.39 1
97 ASP -1.93 -1.34 1
99 LYS -2.80 -0.27 1
100 VAL 4.75 3.69 1
101 ALA -1.05 -1.28 1
102 PHE -1.22 -2.01 1
104 ARG 1.37 1.20 1
105 ARG -0.40 -0.20 1
106 ALA -0.37 -0.30 1
107 GLN -0.44 -0.21 1
109 LYS 0.76 1.46 1
stop_
save_
save_LACS_CACB_CB_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr11450_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CB
_LACS_plot.Line_1_terminator_val_x_1 -6.56
_LACS_plot.Line_1_terminator_val_y_1 4.39
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -1.15
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 0.90
_LACS_plot.Line_2_terminator_val_x_2 7.60
_LACS_plot.Line_2_terminator_val_y_2 -2.16
_LACS_plot.Y_axis_chem_shift_offset -0.20
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
30 ILE -0.25 -2.92 0
58 MET 2.41 -4.30 0
27 LYS -3.75 3.06 1
28 MET -3.55 3.61 1
29 PHE -2.40 0.91 1
33 LEU -1.77 0.81 1
34 SER 0.52 -0.81 1
35 TRP 2.17 -1.37 1
36 GLN 0.49 -0.08 1
37 THR 3.76 -1.40 1
38 THR -5.17 2.67 1
39 GLN 5.56 -1.59 1
40 GLU 5.22 -1.48 1
42 LEU 2.21 0.49 1
43 ARG 4.94 -0.66 1
44 GLU 2.67 -0.33 1
45 TYR 3.65 0.59 1
46 PHE 7.60 -1.69 1
48 GLN 1.41 -0.01 1
49 PHE 0.37 0.56 1
51 GLU 0.61 -0.05 1
52 VAL -0.09 0.43 1
53 LYS -0.68 1.26 1
54 GLU -4.28 3.39 1
56 LEU -5.38 4.23 1
57 VAL -0.74 1.28 1
59 ARG -4.59 2.89 1
60 ASP -2.26 1.96 1
62 LEU 1.82 -0.19 1
63 THR -0.68 0.90 1
64 LYS 5.50 -3.93 1
65 ARG -0.00 0.11 1
66 SER 1.73 -0.02 1
67 ARG -1.02 1.11 1
69 PHE -5.06 2.15 1
71 PHE -6.56 5.29 1
72 VAL -4.77 3.11 1
73 THR -0.33 -0.24 1
74 PHE -0.64 1.81 1
75 MET 1.54 -0.23 1
76 ASP -4.26 3.12 1
77 GLN 2.73 -0.81 1
78 ALA 3.64 -1.14 1
80 VAL 4.17 -1.40 1
81 ASP 4.22 -1.11 1
82 LYS 3.72 -0.14 1
83 VAL 6.70 -1.72 1
84 LEU 2.46 -1.17 1
85 ALA 0.68 -0.29 1
86 GLN -0.63 -0.19 1
87 SER 2.93 -0.27 1
88 ARG -2.42 1.81 1
89 HIS -4.47 5.39 1
90 GLU -5.27 2.93 1
91 LEU -3.46 2.64 1
92 ASP 4.25 -2.18 1
93 SER 3.39 -1.86 1
94 LYS -4.90 2.17 1
95 THR 2.22 -1.20 1
96 ILE -1.58 1.19 1
97 ASP -1.93 0.59 1
99 LYS -2.80 2.53 1
100 VAL 4.75 -1.06 1
101 ALA -1.05 -0.23 1
102 PHE -1.22 -0.79 1
104 ARG 1.37 -0.17 1
105 ARG -0.40 0.20 1
106 ALA -0.37 0.07 1
107 GLN -0.44 0.23 1
109 LYS 0.76 0.70 1
stop_
save_
save_LACS_CACB_HA_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr11450_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name HA
_LACS_plot.Line_1_terminator_val_x_1 -6.56
_LACS_plot.Line_1_terminator_val_y_1 0.52
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -0.18
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 0.13
_LACS_plot.Line_2_terminator_val_x_2 7.60
_LACS_plot.Line_2_terminator_val_y_2 -0.60
_LACS_plot.Y_axis_chem_shift_offset 0.02
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
101 ALA -1.05 1.40 0
27 LYS -3.75 0.90 1
28 MET -3.55 0.61 1
29 PHE -2.40 -0.51 1
30 ILE -0.25 -0.25 1
33 LEU -1.77 -0.33 1
34 SER 0.52 -0.05 1
35 TRP 2.17 -0.16 1
36 GLN 0.49 -0.19 1
37 THR 3.76 0.02 1
38 THR -5.17 0.18 1
39 GLN 5.56 -0.58 1
40 GLU 5.22 -0.31 1
42 LEU 2.21 -0.22 1
43 ARG 4.94 -0.50 1
44 GLU 2.67 -0.34 1
45 TYR 3.65 -0.40 1
46 PHE 7.60 -0.14 1
48 GLN 1.41 -0.24 1
49 PHE 0.37 -0.21 1
51 GLU 0.61 0.03 1
52 VAL -0.09 -0.24 1
53 LYS -0.68 0.03 1
54 GLU -4.28 0.13 1
56 LEU -5.38 0.49 1
57 VAL -0.74 -0.35 1
58 MET 2.41 0.15 1
59 ARG -4.59 0.44 1
60 ASP -2.26 -0.16 1
62 LEU 1.82 0.11 1
63 THR -0.68 -0.10 1
64 LYS 5.50 -0.40 1
65 ARG -0.00 -0.32 1
66 SER 1.73 0.04 1
67 ARG -1.02 -0.05 1
69 PHE -5.06 0.51 1
71 PHE -6.56 0.94 1
72 VAL -4.77 0.31 1
73 THR -0.33 0.65 1
74 PHE -0.64 0.29 1
75 MET 1.54 -0.19 1
76 ASP -4.26 0.29 1
77 GLN 2.73 -0.42 1
78 ALA 3.64 -0.16 1
80 VAL 4.17 -0.62 1
81 ASP 4.22 -0.43 1
82 LYS 3.72 -0.24 1
83 VAL 6.70 -1.29 1
84 LEU 2.46 -0.09 1
85 ALA 0.68 -0.08 1
86 GLN -0.63 0.18 1
87 SER 2.93 -0.23 1
88 ARG -2.42 0.32 1
89 HIS -4.47 -0.06 1
90 GLU -5.27 0.72 1
91 LEU -3.46 -0.09 1
92 ASP 4.25 -0.39 1
93 SER 3.39 -0.58 1
94 LYS -4.90 0.31 1
95 THR 2.22 0.39 1
96 ILE -1.58 0.46 1
97 ASP -1.93 0.36 1
99 LYS -2.80 0.36 1
100 VAL 4.75 -0.28 1
102 PHE -1.22 0.44 1
104 ARG 1.37 -0.19 1
105 ARG -0.40 -0.03 1
106 ALA -0.37 -0.01 1
107 GLN -0.44 -0.05 1
109 LYS 0.76 -0.19 1
stop_
save_
save_LACS_CACB_CO_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr11450_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CO
_LACS_plot.Line_1_terminator_val_x_1 -6.56
_LACS_plot.Line_1_terminator_val_y_1 -2.24
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 0.50
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -0.84
_LACS_plot.Line_2_terminator_val_x_2 7.60
_LACS_plot.Line_2_terminator_val_y_2 2.42
_LACS_plot.Y_axis_chem_shift_offset 0.15
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
109 LYS 0.76 4.69 0
27 LYS -3.75 -1.22 1
28 MET -3.55 -1.42 1
29 PHE -2.40 -3.10 1
30 ILE -0.25 -2.33 1
33 LEU -1.77 1.16 1
34 SER 0.52 3.48 1
35 TRP 2.17 0.65 1
36 GLN 0.49 0.56 1
37 THR 3.76 0.06 1
38 THR -5.17 0.60 1
39 GLN 5.56 1.29 1
40 GLU 5.22 2.51 1
42 LEU 2.21 0.45 1
43 ARG 4.94 2.91 1
44 GLU 2.67 2.24 1
45 TYR 3.65 2.64 1
46 PHE 7.60 1.68 1
48 GLN 1.41 0.42 1
51 GLU 0.61 0.11 1
52 VAL -0.09 -0.78 1
53 LYS -0.68 -0.79 1
54 GLU -4.28 -2.51 1
56 LEU -5.38 -1.99 1
57 VAL -0.74 -0.57 1
58 MET 2.41 -1.13 1
59 ARG -4.59 -0.40 1
60 ASP -2.26 1.03 1
62 LEU 1.82 1.30 1
63 THR -0.68 1.53 1
64 LYS 5.50 -1.49 1
65 ARG -0.00 -0.17 1
66 SER 1.73 0.49 1
67 ARG -1.02 1.02 1
69 PHE -5.06 -4.12 1
71 PHE -6.56 -0.79 1
72 VAL -4.77 -2.58 1
73 THR -0.33 -0.40 1
74 PHE -0.64 -0.36 1
75 MET 1.54 -0.68 1
76 ASP -4.26 -1.01 1
77 GLN 2.73 0.59 1
78 ALA 3.64 2.64 1
80 VAL 4.17 1.70 1
81 ASP 4.22 3.34 1
82 LYS 3.72 2.89 1
83 VAL 6.70 2.96 1
84 LEU 2.46 0.46 1
85 ALA 0.68 -0.47 1
86 GLN -0.63 -0.88 1
87 SER 2.93 -0.42 1
88 ARG -2.42 -2.45 1
89 HIS -4.47 -0.81 1
90 GLU -5.27 -3.31 1
91 LEU -3.46 -1.49 1
92 ASP 4.25 -1.16 1
93 SER 3.39 -1.72 1
94 LYS -4.90 -1.61 1
95 THR 2.22 0.23 1
96 ILE -1.58 -1.53 1
97 ASP -1.93 -1.88 1
99 LYS -2.80 -1.22 1
100 VAL 4.75 0.21 1
101 ALA -1.05 0.38 1
102 PHE -1.22 -0.14 1
104 ARG 1.37 0.22 1
105 ARG -0.40 -0.23 1
106 ALA -0.37 -0.62 1
107 GLN -0.44 -0.36 1
stop_
save_