Content for NMR-STAR saveframe, "assigned_chem_shift_list_1"
save_assigned_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 15000
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name .
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '2D 1H-15N HSQC' 1 $unlabeled_sample isotropic 15000 1
2 '2D 1H-13C HSQC' 1 $unlabeled_sample isotropic 15000 1
3 '2D COSY' 1 $unlabeled_sample isotropic 15000 1
4 '2D TOCSY' 1 $unlabeled_sample isotropic 15000 1
5 '2D NOESY' 1 $unlabeled_sample isotropic 15000 1
7 '2D HNCO' 2 $selectively_labeled_sample isotropic 15000 1
8 '2D HNCACB' 2 $selectively_labeled_sample isotropic 15000 1
9 '2D HNHA' 2 $selectively_labeled_sample isotropic 15000 1
10 '2D HNHB' 2 $selectively_labeled_sample isotropic 15000 1
11 19F-HOESY 1 $unlabeled_sample isotropic 15000 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 . 1 2 2 SER H H 1 9.3070 0.01 . . . . . . . 2 SER H . 15000 1
2 . 1 . 1 2 2 SER HA H 1 4.5970 0.01 . . . . . . . 2 SER HA . 15000 1
3 . 1 . 1 2 2 SER HB2 H 1 4.3010 0.01 . . . . . . . 2 SER HB2 . 15000 1
4 . 1 . 1 2 2 SER HB3 H 1 4.0550 0.01 . . . . . . . 2 SER HB3 . 15000 1
5 . 1 . 1 2 2 SER CB C 13 64.6000 0.1 . . . . . . . 2 SER CB . 15000 1
6 . 1 . 1 2 2 SER N N 15 121.5800 0.1 . . . . . . . 2 SER N . 15000 1
7 . 1 . 1 3 3 ASP H H 1 8.0740 0.01 . . . . . . . 3 ASP H . 15000 1
8 . 1 . 1 3 3 ASP HA H 1 4.5580 0.01 . . . . . . . 3 ASP HA . 15000 1
9 . 1 . 1 3 3 ASP HB2 H 1 2.835 0.01 . . . . . . . 3 ASP HB2 . 15000 1
10 . 1 . 1 3 3 ASP HB3 H 1 2.754 0.01 . . . . . . . 3 ASP HB3 . 15000 1
11 . 1 . 1 3 3 ASP CA C 13 57.6400 0.1 . . . . . . . 3 ASP CA . 15000 1
12 . 1 . 1 3 3 ASP N N 15 121.1040 0.1 . . . . . . . 3 ASP N . 15000 1
13 . 1 . 1 4 4 GLU H H 1 8.6520 0.01 . . . . . . . 4 GLU H . 15000 1
14 . 1 . 1 4 4 GLU HA H 1 4.1420 0.01 . . . . . . . 4 GLU HA . 15000 1
15 . 1 . 1 4 4 GLU HB2 H 1 2.0520 0.01 . . . . . . . 4 GLU HB2 . 15000 1
16 . 1 . 1 4 4 GLU HB3 H 1 2.0320 0.01 . . . . . . . 4 GLU HB3 . 15000 1
17 . 1 . 1 4 4 GLU HG2 H 1 2.4540 0.01 . . . . . . . 4 GLU HG2 . 15000 1
18 . 1 . 1 4 4 GLU CB C 13 28.1200 0.1 . . . . . . . 4 GLU CB . 15000 1
19 . 1 . 1 4 4 GLU CG C 13 33.2720 0.1 . . . . . . . 4 GLU CG . 15000 1
20 . 1 . 1 4 4 GLU N N 15 119.8900 0.1 . . . . . . . 4 GLU N . 15000 1
21 . 1 . 1 5 5 ASP H H 1 9.1190 0.01 . . . . . . . 5 ASP H . 15000 1
22 . 1 . 1 5 5 ASP HA H 1 4.4690 0.01 . . . . . . . 5 ASP HA . 15000 1
23 . 1 . 1 5 5 ASP HB2 H 1 2.758 0.01 . . . . . . . 5 ASP HB . 15000 1
24 . 1 . 1 5 5 ASP HB3 H 1 2.758 0.01 . . . . . . . 5 ASP HB . 15000 1
25 . 1 . 1 5 5 ASP C C 13 179.7560 0.1 . . . . . . . 5 ASP C . 15000 1
26 . 1 . 1 5 5 ASP CA C 13 55.6860 0.1 . . . . . . . 5 ASP CA . 15000 1
27 . 1 . 1 5 5 ASP N N 15 122.3110 0.1 . . . . . . . 5 ASP N . 15000 1
28 . 1 . 1 6 6 PHE H H 1 8.7160 0.01 . . . . . . . 6 PHE H . 15000 1
29 . 1 . 1 6 6 PHE HA H 1 3.9020 0.01 . . . . . . . 6 PHE HA . 15000 1
30 . 1 . 1 6 6 PHE HB2 H 1 3.2940 0.01 . . . . . . . 6 PHE HB2 . 15000 1
31 . 1 . 1 6 6 PHE HB3 H 1 2.9960 0.01 . . . . . . . 6 PHE HB3 . 15000 1
32 . 1 . 1 6 6 PHE HD1 H 1 7.1650 0.01 . . . . . . . 6 PHE HD1 . 15000 1
33 . 1 . 1 6 6 PHE HE1 H 1 7.2450 0.01 . . . . . . . 6 PHE HE1 . 15000 1
34 . 1 . 1 6 6 PHE HZ H 1 7.1350 0.01 . . . . . . . 6 PHE HZ . 15000 1
35 . 1 . 1 6 6 PHE CA C 13 61.4620 0.1 . . . . . . . 6 PHE CA . 15000 1
36 . 1 . 1 6 6 PHE CB C 13 39.7600 0.1 . . . . . . . 6 PHE CB . 15000 1
37 . 1 . 1 6 6 PHE N N 15 121.4090 0.1 . . . . . . . 6 PHE N . 15000 1
38 . 1 . 1 7 7 ARG H H 1 8.3170 0.01 . . . . . . . 7 ARG H . 15000 1
39 . 1 . 1 7 7 ARG HA H 1 3.9360 0.01 . . . . . . . 7 ARG HA . 15000 1
40 . 1 . 1 7 7 ARG HB2 H 1 2.1160 0.01 . . . . . . . 7 ARG HB2 . 15000 1
41 . 1 . 1 7 7 ARG HB3 H 1 1.9990 0.01 . . . . . . . 7 ARG HB3 . 15000 1
42 . 1 . 1 7 7 ARG HG2 H 1 1.9080 0.01 . . . . . . . 7 ARG HG2 . 15000 1
43 . 1 . 1 7 7 ARG HG3 H 1 1.7080 0.01 . . . . . . . 7 ARG HG3 . 15000 1
44 . 1 . 1 7 7 ARG HD2 H 1 3.2910 0.01 . . . . . . . 7 ARG HD2 . 15000 1
45 . 1 . 1 7 7 ARG HD3 H 1 3.2470 0.01 . . . . . . . 7 ARG HD3 . 15000 1
46 . 1 . 1 7 7 ARG HE H 1 7.5260 0.01 . . . . . . . 7 ARG HE . 15000 1
47 . 1 . 1 7 7 ARG C C 13 182.0030 0.1 . . . . . . . 7 ARG C . 15000 1
48 . 1 . 1 7 7 ARG CA C 13 58.7600 0.1 . . . . . . . 7 ARG CA . 15000 1
49 . 1 . 1 7 7 ARG N N 15 119.0710 0.1 . . . . . . . 7 ARG N . 15000 1
50 . 1 . 1 7 7 ARG NE N 15 118.6700 0.1 . . . . . . . 7 ARG NE . 15000 1
51 . 1 . 1 8 8 ALA H H 1 7.5950 0.01 . . . . . . . 8 ALA H . 15000 1
52 . 1 . 1 8 8 ALA HA H 1 4.1320 0.01 . . . . . . . 8 ALA HA . 15000 1
53 . 1 . 1 8 8 ALA HB1 H 1 1.4960 0.01 . . . . . . . 8 ALA HB . 15000 1
54 . 1 . 1 8 8 ALA HB2 H 1 1.4960 0.01 . . . . . . . 8 ALA HB . 15000 1
55 . 1 . 1 8 8 ALA HB3 H 1 1.4960 0.01 . . . . . . . 8 ALA HB . 15000 1
56 . 1 . 1 8 8 ALA CA C 13 54.6650 0.1 . . . . . . . 8 ALA CA . 15000 1
57 . 1 . 1 8 8 ALA CB C 13 18.6300 0.1 . . . . . . . 8 ALA CB . 15000 1
58 . 1 . 1 8 8 ALA N N 15 121.6840 0.1 . . . . . . . 8 ALA N . 15000 1
59 . 1 . 1 9 9 VAL H H 1 8.1380 0.01 . . . . . . . 9 VAL H . 15000 1
60 . 1 . 1 9 9 VAL HA H 1 3.6640 0.01 . . . . . . . 9 VAL HA . 15000 1
61 . 1 . 1 9 9 VAL HB H 1 1.6960 0.01 . . . . . . . 9 VAL HB . 15000 1
62 . 1 . 1 9 9 VAL HG11 H 1 0.8810 0.01 . . . . . . . 9 VAL HG1 . 15000 1
63 . 1 . 1 9 9 VAL HG12 H 1 0.8810 0.01 . . . . . . . 9 VAL HG1 . 15000 1
64 . 1 . 1 9 9 VAL HG13 H 1 0.8810 0.01 . . . . . . . 9 VAL HG1 . 15000 1
65 . 1 . 1 9 9 VAL HG21 H 1 0.3660 0.01 . . . . . . . 9 VAL HG2 . 15000 1
66 . 1 . 1 9 9 VAL HG22 H 1 0.3660 0.01 . . . . . . . 9 VAL HG2 . 15000 1
67 . 1 . 1 9 9 VAL HG23 H 1 0.3660 0.01 . . . . . . . 9 VAL HG2 . 15000 1
68 . 1 . 1 9 9 VAL CA C 13 64.8700 0.1 . . . . . . . 9 VAL CA . 15000 1
69 . 1 . 1 9 9 VAL CG2 C 13 20.6100 0.1 . . . . . . . 9 VAL CG2 . 15000 1
70 . 1 . 1 9 9 VAL N N 15 117.5230 0.1 . . . . . . . 9 VAL N . 15000 1
71 . 1 . 1 10 10 PHF H H 1 8.8590 0.01 . . . . . . . 10 PHE H . 15000 1
72 . 1 . 1 10 10 PHF HA H 1 4.1690 0.01 . . . . . . . 10 PHE HA . 15000 1
73 . 1 . 1 10 10 PHF HB2 H 1 2.8570 0.01 . . . . . . . 10 PHE HB2 . 15000 1
74 . 1 . 1 10 10 PHF HB3 H 1 2.6110 0.01 . . . . . . . 10 PHE HB3 . 15000 1
75 . 1 . 1 10 10 PHF CB C 13 39.5300 0.1 . . . . . . . 10 PHE CB . 15000 1
76 . 1 . 1 10 10 PHF N N 15 114.7560 0.1 . . . . . . . 10 PHE N . 15000 1
77 . 1 . 1 11 11 GLY H H 1 7.7630 0.01 . . . . . . . 11 GLY H . 15000 1
78 . 1 . 1 11 11 GLY HA2 H 1 3.9910 0.01 . . . . . . . 11 GLY HA2 . 15000 1
79 . 1 . 1 11 11 GLY HA3 H 1 3.9550 0.01 . . . . . . . 11 GLY HA3 . 15000 1
80 . 1 . 1 11 11 GLY CA C 13 46.5500 0.1 . . . . . . . 11 GLY CA . 15000 1
81 . 1 . 1 11 11 GLY N N 15 108.4590 0.1 . . . . . . . 11 GLY N . 15000 1
82 . 1 . 1 12 12 MET H H 1 7.6520 0.01 . . . . . . . 12 MET H . 15000 1
83 . 1 . 1 12 12 MET HA H 1 4.7460 0.01 . . . . . . . 12 MET HA . 15000 1
84 . 1 . 1 12 12 MET HB2 H 1 2.3240 0.01 . . . . . . . 12 MET HB2 . 15000 1
85 . 1 . 1 12 12 MET HB3 H 1 2.1180 0.01 . . . . . . . 12 MET HB3 . 15000 1
86 . 1 . 1 12 12 MET HG2 H 1 2.7900 0.01 . . . . . . . 12 MET HG2 . 15000 1
87 . 1 . 1 12 12 MET HG3 H 1 2.4000 0.01 . . . . . . . 12 MET HG3 . 15000 1
88 . 1 . 1 12 12 MET HE1 H 1 2.1560 0.01 . . . . . . . 12 MET HE . 15000 1
89 . 1 . 1 12 12 MET HE2 H 1 2.1560 0.01 . . . . . . . 12 MET HE . 15000 1
90 . 1 . 1 12 12 MET HE3 H 1 2.1560 0.01 . . . . . . . 12 MET HE . 15000 1
91 . 1 . 1 12 12 MET CA C 13 53.8540 0.1 . . . . . . . 12 MET CA . 15000 1
92 . 1 . 1 12 12 MET CB C 13 34.7230 0.1 . . . . . . . 12 MET CB . 15000 1
93 . 1 . 1 12 12 MET CE C 13 16.6500 0.1 . . . . . . . 12 MET CE . 15000 1
94 . 1 . 1 12 12 MET N N 15 113.7970 0.1 . . . . . . . 12 MET N . 15000 1
95 . 1 . 1 13 13 THR H H 1 8.2830 0.01 . . . . . . . 13 THR H . 15000 1
96 . 1 . 1 13 13 THR HA H 1 4.6640 0.01 . . . . . . . 13 THR HA . 15000 1
97 . 1 . 1 13 13 THR HB H 1 4.4390 0.01 . . . . . . . 13 THR HB . 15000 1
98 . 1 . 1 13 13 THR HG21 H 1 1.3370 0.01 . . . . . . . 13 THR HG2 . 15000 1
99 . 1 . 1 13 13 THR HG22 H 1 1.3370 0.01 . . . . . . . 13 THR HG2 . 15000 1
100 . 1 . 1 13 13 THR HG23 H 1 1.3370 0.01 . . . . . . . 13 THR HG2 . 15000 1
101 . 1 . 1 13 13 THR CA C 13 70.8700 0.1 . . . . . . . 13 THR CA . 15000 1
102 . 1 . 1 13 13 THR N N 15 107.9930 0.1 . . . . . . . 13 THR N . 15000 1
103 . 1 . 1 14 14 ARG H H 1 8.6940 0.01 . . . . . . . 14 ARG H . 15000 1
104 . 1 . 1 14 14 ARG HA H 1 3.1370 0.01 . . . . . . . 14 ARG HA . 15000 1
105 . 1 . 1 14 14 ARG HB2 H 1 1.3670 0.01 . . . . . . . 14 ARG HB2 . 15000 1
106 . 1 . 1 14 14 ARG HB3 H 1 1.1280 0.01 . . . . . . . 14 ARG HB3 . 15000 1
107 . 1 . 1 14 14 ARG HG2 H 1 0.9040 0.01 . . . . . . . 14 ARG HG2 . 15000 1
108 . 1 . 1 14 14 ARG HG3 H 1 0.7630 0.01 . . . . . . . 14 ARG HG3 . 15000 1
109 . 1 . 1 14 14 ARG HD2 H 1 2.8370 0.01 . . . . . . . 14 ARG HD2 . 15000 1
110 . 1 . 1 14 14 ARG HD3 H 1 2.7910 0.01 . . . . . . . 14 ARG HD3 . 15000 1
111 . 1 . 1 14 14 ARG HE H 1 7.1050 0.01 . . . . . . . 14 ARG HE . 15000 1
112 . 1 . 1 14 14 ARG CA C 13 59.5300 0.1 . . . . . . . 14 ARG CA . 15000 1
113 . 1 . 1 14 14 ARG CB C 13 29.5800 0.1 . . . . . . . 14 ARG CB . 15000 1
114 . 1 . 1 14 14 ARG CG C 13 26.6400 0.1 . . . . . . . 14 ARG CG . 15000 1
115 . 1 . 1 14 14 ARG N N 15 122.3380 0.1 . . . . . . . 14 ARG N . 15000 1
116 . 1 . 1 14 14 ARG NE N 15 118.6700 0.1 . . . . . . . 14 ARG NE . 15000 1
117 . 1 . 1 15 15 SER H H 1 8.2080 0.01 . . . . . . . 15 SER H . 15000 1
118 . 1 . 1 15 15 SER HA H 1 4.0480 0.01 . . . . . . . 15 SER HA . 15000 1
119 . 1 . 1 15 15 SER HB2 H 1 3.7710 0.01 . . . . . . . 15 SER HB2 . 15000 1
120 . 1 . 1 15 15 SER HB3 H 1 3.7370 0.01 . . . . . . . 15 SER HB3 . 15000 1
121 . 1 . 1 15 15 SER C C 13 178.9080 0.1 . . . . . . . 15 SER C . 15000 1
122 . 1 . 1 15 15 SER CA C 13 61.0380 0.1 . . . . . . . 15 SER CA . 15000 1
123 . 1 . 1 15 15 SER CB C 13 62.4500 0.1 . . . . . . . 15 SER CB . 15000 1
124 . 1 . 1 15 15 SER N N 15 113.4480 0.1 . . . . . . . 15 SER N . 15000 1
125 . 1 . 1 16 16 ALA H H 1 7.6910 0.01 . . . . . . . 16 ALA H . 15000 1
126 . 1 . 1 16 16 ALA HA H 1 4.0500 0.01 . . . . . . . 16 ALA HA . 15000 1
127 . 1 . 1 16 16 ALA HB1 H 1 1.4460 0.01 . . . . . . . 16 ALA HB . 15000 1
128 . 1 . 1 16 16 ALA HB2 H 1 1.4460 0.01 . . . . . . . 16 ALA HB . 15000 1
129 . 1 . 1 16 16 ALA HB3 H 1 1.4460 0.01 . . . . . . . 16 ALA HB . 15000 1
130 . 1 . 1 16 16 ALA C C 13 183.5770 0.1 . . . . . . . 16 ALA C . 15000 1
131 . 1 . 1 16 16 ALA CA C 13 54.8960 0.1 . . . . . . . 16 ALA CA . 15000 1
132 . 1 . 1 16 16 ALA CB C 13 18.6300 0.1 . . . . . . . 16 ALA CB . 15000 1
133 . 1 . 1 16 16 ALA N N 15 125.0430 0.1 . . . . . . . 16 ALA N . 15000 1
134 . 1 . 1 17 17 PHE H H 1 8.2050 0.01 . . . . . . . 17 PHE H . 15000 1
135 . 1 . 1 17 17 PHE HA H 1 4.1140 0.01 . . . . . . . 17 PHE HA . 15000 1
136 . 1 . 1 17 17 PHE HB2 H 1 3.0680 0.01 . . . . . . . 17 PHE HB2 . 15000 1
137 . 1 . 1 17 17 PHE HB3 H 1 3.0370 0.01 . . . . . . . 17 PHE HB3 . 15000 1
138 . 1 . 1 17 17 PHE HD1 H 1 6.6420 0.01 . . . . . . . 17 PHE HD1 . 15000 1
139 . 1 . 1 17 17 PHE HE1 H 1 5.8430 0.01 . . . . . . . 17 PHE HE1 . 15000 1
140 . 1 . 1 17 17 PHE HZ H 1 7.1920 0.01 . . . . . . . 17 PHE HZ . 15000 1
141 . 1 . 1 17 17 PHE C C 13 179.5280 0.1 . . . . . . . 17 PHE C . 15000 1
142 . 1 . 1 17 17 PHE CA C 13 61.3210 0.1 . . . . . . . 17 PHE CA . 15000 1
143 . 1 . 1 17 17 PHE CB C 13 39.8600 0.1 . . . . . . . 17 PHE CB . 15000 1
144 . 1 . 1 17 17 PHE N N 15 120.1470 0.1 . . . . . . . 17 PHE N . 15000 1
145 . 1 . 1 18 18 ALA H H 1 7.9830 0.01 . . . . . . . 18 ALA H . 15000 1
146 . 1 . 1 18 18 ALA HA H 1 3.8820 0.01 . . . . . . . 18 ALA HA . 15000 1
147 . 1 . 1 18 18 ALA HB1 H 1 1.4100 0.01 . . . . . . . 18 ALA HB . 15000 1
148 . 1 . 1 18 18 ALA HB2 H 1 1.4100 0.01 . . . . . . . 18 ALA HB . 15000 1
149 . 1 . 1 18 18 ALA HB3 H 1 1.4100 0.01 . . . . . . . 18 ALA HB . 15000 1
150 . 1 . 1 18 18 ALA CA C 13 53.6330 0.1 . . . . . . . 18 ALA CA . 15000 1
151 . 1 . 1 18 18 ALA CB C 13 18.3600 0.1 . . . . . . . 18 ALA CB . 15000 1
152 . 1 . 1 18 18 ALA N N 15 118.3780 0.1 . . . . . . . 18 ALA N . 15000 1
153 . 1 . 1 19 19 ASN H H 1 7.1620 0.01 . . . . . . . 19 ASN H . 15000 1
154 . 1 . 1 19 19 ASN HA H 1 4.6330 0.01 . . . . . . . 19 ASN HA . 15000 1
155 . 1 . 1 19 19 ASN HB2 H 1 2.8460 0.01 . . . . . . . 19 ASN HB2 . 15000 1
156 . 1 . 1 19 19 ASN HB3 H 1 2.6260 0.01 . . . . . . . 19 ASN HB3 . 15000 1
157 . 1 . 1 19 19 ASN C C 13 178.5760 0.1 . . . . . . . 19 ASN C . 15000 1
158 . 1 . 1 19 19 ASN N N 15 113.4050 0.1 . . . . . . . 19 ASN N . 15000 1
159 . 1 . 1 20 20 LEU H H 1 7.3430 0.01 . . . . . . . 20 LEU H . 15000 1
160 . 1 . 1 20 20 LEU HA H 1 4.3260 0.01 . . . . . . . 20 LEU HA . 15000 1
161 . 1 . 1 20 20 LEU HB2 H 1 1.6080 0.01 . . . . . . . 20 LEU HB2 . 15000 1
162 . 1 . 1 20 20 LEU HG H 1 0.8330 0.01 . . . . . . . 20 LEU HG . 15000 1
163 . 1 . 1 20 20 LEU HD11 H 1 0.722 0.01 . . . . . . . 20 LEU HD1 . 15000 1
164 . 1 . 1 20 20 LEU HD12 H 1 0.722 0.01 . . . . . . . 20 LEU HD1 . 15000 1
165 . 1 . 1 20 20 LEU HD13 H 1 0.722 0.01 . . . . . . . 20 LEU HD1 . 15000 1
166 . 1 . 1 20 20 LEU HD21 H 1 0.581 0.01 . . . . . . . 20 LEU HD2 . 15000 1
167 . 1 . 1 20 20 LEU HD22 H 1 0.581 0.01 . . . . . . . 20 LEU HD2 . 15000 1
168 . 1 . 1 20 20 LEU HD23 H 1 0.581 0.01 . . . . . . . 20 LEU HD2 . 15000 1
169 . 1 . 1 20 20 LEU CA C 13 53.0440 0.1 . . . . . . . 20 LEU CA . 15000 1
170 . 1 . 1 20 20 LEU CB C 13 41.5000 0.1 . . . . . . . 20 LEU CB . 15000 1
171 . 1 . 1 20 20 LEU N N 15 121.9710 0.1 . . . . . . . 20 LEU N . 15000 1
172 . 1 . 1 21 21 PRO HA H 1 4.3600 0.01 . . . . . . . 21 PRO HA . 15000 1
173 . 1 . 1 21 21 PRO HB2 H 1 2.3680 0.01 . . . . . . . 21 PRO HB2 . 15000 1
174 . 1 . 1 21 21 PRO HB3 H 1 1.1450 0.01 . . . . . . . 21 PRO HB3 . 15000 1
175 . 1 . 1 21 21 PRO HG2 H 1 2.1000 0.01 . . . . . . . 21 PRO HG2 . 15000 1
176 . 1 . 1 21 21 PRO HG3 H 1 1.6200 0.01 . . . . . . . 21 PRO HG3 . 15000 1
177 . 1 . 1 21 21 PRO HD2 H 1 3.8030 0.01 . . . . . . . 21 PRO HD2 . 15000 1
178 . 1 . 1 21 21 PRO HD3 H 1 3.0990 0.01 . . . . . . . 21 PRO HD3 . 15000 1
179 . 1 . 1 21 21 PRO C C 13 180.6470 0.1 . . . . . . . 21 PRO C . 15000 1
180 . 1 . 1 21 21 PRO CA C 13 62.4110 0.1 . . . . . . . 21 PRO CA . 15000 1
181 . 1 . 1 21 21 PRO CB C 13 32.4800 0.1 . . . . . . . 21 PRO CB . 15000 1
182 . 1 . 1 21 21 PRO CD C 13 49.9440 0.1 . . . . . . . 21 PRO CD . 15000 1
183 . 1 . 1 22 22 LEU H H 1 8.8270 0.01 . . . . . . . 22 LEU H . 15000 1
184 . 1 . 1 22 22 LEU HA H 1 3.8010 0.01 . . . . . . . 22 LEU HA . 15000 1
185 . 1 . 1 22 22 LEU HB2 H 1 1.7230 0.01 . . . . . . . 22 LEU HB2 . 15000 1
186 . 1 . 1 22 22 LEU HD11 H 1 0.9440 0.01 . . . . . . . 22 LEU HD1 . 15000 1
187 . 1 . 1 22 22 LEU HD12 H 1 0.9440 0.01 . . . . . . . 22 LEU HD1 . 15000 1
188 . 1 . 1 22 22 LEU HD13 H 1 0.9440 0.01 . . . . . . . 22 LEU HD1 . 15000 1
189 . 1 . 1 22 22 LEU HD21 H 1 0.9180 0.01 . . . . . . . 22 LEU HD2 . 15000 1
190 . 1 . 1 22 22 LEU HD22 H 1 0.9180 0.01 . . . . . . . 22 LEU HD2 . 15000 1
191 . 1 . 1 22 22 LEU HD23 H 1 0.9180 0.01 . . . . . . . 22 LEU HD2 . 15000 1
192 . 1 . 1 22 22 LEU CA C 13 58.7470 0.1 . . . . . . . 22 LEU CA . 15000 1
193 . 1 . 1 22 22 LEU CB C 13 42.6800 0.1 . . . . . . . 22 LEU CB . 15000 1
194 . 1 . 1 22 22 LEU CG C 13 27.0550 0.1 . . . . . . . 22 LEU CG . 15000 1
195 . 1 . 1 22 22 LEU CD2 C 13 22.7400 0.1 . . . . . . . 22 LEU CD2 . 15000 1
196 . 1 . 1 22 22 LEU N N 15 125.4970 0.1 . . . . . . . 22 LEU N . 15000 1
197 . 1 . 1 23 23 TRP H H 1 8.0050 0.01 . . . . . . . 23 TRP H . 15000 1
198 . 1 . 1 23 23 TRP HA H 1 4.4220 0.01 . . . . . . . 23 TRP HA . 15000 1
199 . 1 . 1 23 23 TRP HB2 H 1 3.4920 0.01 . . . . . . . 23 TRP HB2 . 15000 1
200 . 1 . 1 23 23 TRP HB3 H 1 3.2170 0.01 . . . . . . . 23 TRP HB3 . 15000 1
201 . 1 . 1 23 23 TRP HD1 H 1 7.5480 0.01 . . . . . . . 23 TRP HD1 . 15000 1
202 . 1 . 1 23 23 TRP HE1 H 1 10.4780 0.01 . . . . . . . 23 TRP HE1 . 15000 1
203 . 1 . 1 23 23 TRP HE3 H 1 7.380 0.01 . . . . . . . 23 TRP HE3 . 15000 1
204 . 1 . 1 23 23 TRP HZ2 H 1 7.510 0.01 . . . . . . . 23 TRP HZ2 . 15000 1
205 . 1 . 1 23 23 TRP HZ3 H 1 7.090 0.01 . . . . . . . 23 TRP HZ3 . 15000 1
206 . 1 . 1 23 23 TRP HH2 H 1 7.220 0.01 . . . . . . . 23 TRP HH2 . 15000 1
207 . 1 . 1 23 23 TRP CA C 13 63.8900 0.1 . . . . . . . 23 TRP CA . 15000 1
208 . 1 . 1 23 23 TRP CB C 13 27.0000 0.1 . . . . . . . 23 TRP CB . 15000 1
209 . 1 . 1 23 23 TRP N N 15 114.9860 0.1 . . . . . . . 23 TRP N . 15000 1
210 . 1 . 1 23 23 TRP NE1 N 15 130.4080 0.1 . . . . . . . 23 TRP NE1 . 15000 1
211 . 1 . 1 24 24 ARG H H 1 6.1790 0.01 . . . . . . . 24 ARG H . 15000 1
212 . 1 . 1 24 24 ARG HA H 1 3.6720 0.01 . . . . . . . 24 ARG HA . 15000 1
213 . 1 . 1 24 24 ARG HB2 H 1 1.3340 0.01 . . . . . . . 24 ARG HB2 . 15000 1
214 . 1 . 1 24 24 ARG HG2 H 1 0.8350 0.01 . . . . . . . 24 ARG HG2 . 15000 1
215 . 1 . 1 24 24 ARG HG3 H 1 0.6320 0.01 . . . . . . . 24 ARG HG3 . 15000 1
216 . 1 . 1 24 24 ARG HD2 H 1 2.9230 0.01 . . . . . . . 24 ARG HD2 . 15000 1
217 . 1 . 1 24 24 ARG HD3 H 1 2.8150 0.01 . . . . . . . 24 ARG HD3 . 15000 1
218 . 1 . 1 24 24 ARG HE H 1 7.1060 0.01 . . . . . . . 24 ARG HE . 15000 1
219 . 1 . 1 24 24 ARG CA C 13 58.2600 0.1 . . . . . . . 24 ARG CA . 15000 1
220 . 1 . 1 24 24 ARG CB C 13 29.4500 0.1 . . . . . . . 24 ARG CB . 15000 1
221 . 1 . 1 24 24 ARG CG C 13 26.6800 0.1 . . . . . . . 24 ARG CG . 15000 1
222 . 1 . 1 24 24 ARG CD C 13 42.9400 0.1 . . . . . . . 24 ARG CD . 15000 1
223 . 1 . 1 24 24 ARG N N 15 122.9090 0.1 . . . . . . . 24 ARG N . 15000 1
224 . 1 . 1 24 24 ARG NE N 15 118.6700 0.1 . . . . . . . 24 ARG NE . 15000 1
225 . 1 . 1 25 25 GLN H H 1 7.6280 0.01 . . . . . . . 25 GLN H . 15000 1
226 . 1 . 1 25 25 GLN HA H 1 3.5400 0.01 . . . . . . . 25 GLN HA . 15000 1
227 . 1 . 1 25 25 GLN HB2 H 1 1.8240 0.01 . . . . . . . 25 GLN HB2 . 15000 1
228 . 1 . 1 25 25 GLN HB3 H 1 1.7920 0.01 . . . . . . . 25 GLN HB3 . 15000 1
229 . 1 . 1 25 25 GLN HG2 H 1 2.0660 0.01 . . . . . . . 25 GLN HG2 . 15000 1
230 . 1 . 1 25 25 GLN CA C 13 59.5700 0.1 . . . . . . . 25 GLN CA . 15000 1
231 . 1 . 1 25 25 GLN CB C 13 27.7000 0.1 . . . . . . . 25 GLN CB . 15000 1
232 . 1 . 1 25 25 GLN CG C 13 34.7500 0.1 . . . . . . . 25 GLN CG . 15000 1
233 . 1 . 1 25 25 GLN N N 15 119.0840 0.1 . . . . . . . 25 GLN N . 15000 1
234 . 1 . 1 26 26 GLN H H 1 8.3870 0.01 . . . . . . . 26 GLN H . 15000 1
235 . 1 . 1 26 26 GLN HA H 1 4.0450 0.01 . . . . . . . 26 GLN HA . 15000 1
236 . 1 . 1 26 26 GLN HB2 H 1 2.2570 0.01 . . . . . . . 26 GLN HB2 . 15000 1
237 . 1 . 1 26 26 GLN HB3 H 1 2.0740 0.01 . . . . . . . 26 GLN HB3 . 15000 1
238 . 1 . 1 26 26 GLN HG2 H 1 2.5450 0.01 . . . . . . . 26 GLN HG2 . 15000 1
239 . 1 . 1 26 26 GLN HG3 H 1 2.4130 0.01 . . . . . . . 26 GLN HG3 . 15000 1
240 . 1 . 1 26 26 GLN CA C 13 58.8900 0.1 . . . . . . . 26 GLN CA . 15000 1
241 . 1 . 1 26 26 GLN CB C 13 28.2800 0.1 . . . . . . . 26 GLN CB . 15000 1
242 . 1 . 1 26 26 GLN CG C 13 33.9920 0.1 . . . . . . . 26 GLN CG . 15000 1
243 . 1 . 1 26 26 GLN N N 15 115.7490 0.1 . . . . . . . 26 GLN N . 15000 1
244 . 1 . 1 27 27 ASN H H 1 7.8300 0.01 . . . . . . . 27 ASN H . 15000 1
245 . 1 . 1 27 27 ASN HA H 1 4.5200 0.01 . . . . . . . 27 ASN HA . 15000 1
246 . 1 . 1 27 27 ASN HB2 H 1 3.0200 0.01 . . . . . . . 27 ASN HB2 . 15000 1
247 . 1 . 1 27 27 ASN HB3 H 1 2.925 0.01 . . . . . . . 27 ASN HB3 . 15000 1
248 . 1 . 1 27 27 ASN C C 13 180.5860 0.1 . . . . . . . 27 ASN C . 15000 1
249 . 1 . 1 27 27 ASN CA C 13 56.4410 0.1 . . . . . . . 27 ASN CA . 15000 1
250 . 1 . 1 27 27 ASN CB C 13 38.4500 0.1 . . . . . . . 27 ASN CB . 15000 1
251 . 1 . 1 27 27 ASN N N 15 119.2300 0.1 . . . . . . . 27 ASN N . 15000 1
252 . 1 . 1 28 28 LEU H H 1 8.2880 0.01 . . . . . . . 28 LEU H . 15000 1
253 . 1 . 1 28 28 LEU HA H 1 4.1160 0.01 . . . . . . . 28 LEU HA . 15000 1
254 . 1 . 1 28 28 LEU HB2 H 1 2.2120 0.01 . . . . . . . 28 LEU HB2 . 15000 1
255 . 1 . 1 28 28 LEU HB3 H 1 1.7020 0.01 . . . . . . . 28 LEU HB3 . 15000 1
256 . 1 . 1 28 28 LEU HG H 1 1.8340 0.01 . . . . . . . 28 LEU HG . 15000 1
257 . 1 . 1 28 28 LEU HD11 H 1 0.9700 0.01 . . . . . . . 28 LEU HD1 . 15000 1
258 . 1 . 1 28 28 LEU HD12 H 1 0.9700 0.01 . . . . . . . 28 LEU HD1 . 15000 1
259 . 1 . 1 28 28 LEU HD13 H 1 0.9700 0.01 . . . . . . . 28 LEU HD1 . 15000 1
260 . 1 . 1 28 28 LEU HD21 H 1 0.9460 0.01 . . . . . . . 28 LEU HD2 . 15000 1
261 . 1 . 1 28 28 LEU HD22 H 1 0.9460 0.01 . . . . . . . 28 LEU HD2 . 15000 1
262 . 1 . 1 28 28 LEU HD23 H 1 0.9460 0.01 . . . . . . . 28 LEU HD2 . 15000 1
263 . 1 . 1 28 28 LEU CA C 13 58.3890 0.1 . . . . . . . 28 LEU CA . 15000 1
264 . 1 . 1 28 28 LEU CB C 13 41.9500 0.1 . . . . . . . 28 LEU CB . 15000 1
265 . 1 . 1 28 28 LEU N N 15 121.0320 0.1 . . . . . . . 28 LEU N . 15000 1
266 . 1 . 1 29 29 ARG H H 1 8.1980 0.01 . . . . . . . 29 ARG H . 15000 1
267 . 1 . 1 29 29 ARG HA H 1 4.1160 0.01 . . . . . . . 29 ARG HA . 15000 1
268 . 1 . 1 29 29 ARG HB2 H 1 2.0080 0.01 . . . . . . . 29 ARG HB2 . 15000 1
269 . 1 . 1 29 29 ARG HG2 H 1 1.7850 0.01 . . . . . . . 29 ARG HG2 . 15000 1
270 . 1 . 1 29 29 ARG HG3 H 1 1.6480 0.01 . . . . . . . 29 ARG HG3 . 15000 1
271 . 1 . 1 29 29 ARG HD2 H 1 3.2350 0.01 . . . . . . . 29 ARG HD2 . 15000 1
272 . 1 . 1 29 29 ARG HE H 1 7.2790 0.01 . . . . . . . 29 ARG HE . 15000 1
273 . 1 . 1 29 29 ARG CA C 13 58.9100 0.1 . . . . . . . 29 ARG CA . 15000 1
274 . 1 . 1 29 29 ARG CB C 13 30.1900 0.1 . . . . . . . 29 ARG CB . 15000 1
275 . 1 . 1 29 29 ARG CG C 13 27.7600 0.1 . . . . . . . 29 ARG CG . 15000 1
276 . 1 . 1 29 29 ARG CD C 13 43.4200 0.1 . . . . . . . 29 ARG CD . 15000 1
277 . 1 . 1 29 29 ARG N N 15 119.5150 0.1 . . . . . . . 29 ARG N . 15000 1
278 . 1 . 1 29 29 ARG NE N 15 118.6700 0.1 . . . . . . . 29 ARG NE . 15000 1
279 . 1 . 1 30 30 ARG H H 1 7.9960 0.01 . . . . . . . 30 ARG H . 15000 1
280 . 1 . 1 30 30 ARG HA H 1 4.2370 0.01 . . . . . . . 30 ARG HA . 15000 1
281 . 1 . 1 30 30 ARG HB2 H 1 1.8960 0.01 . . . . . . . 30 ARG HB2 . 15000 1
282 . 1 . 1 30 30 ARG HB3 H 1 1.8840 0.01 . . . . . . . 30 ARG HB3 . 15000 1
283 . 1 . 1 30 30 ARG HG2 H 1 1.6090 0.01 . . . . . . . 30 ARG HG2 . 15000 1
284 . 1 . 1 30 30 ARG HG3 H 1 1.5040 0.01 . . . . . . . 30 ARG HG3 . 15000 1
285 . 1 . 1 30 30 ARG HD2 H 1 3.1340 0.01 . . . . . . . 30 ARG HD2 . 15000 1
286 . 1 . 1 30 30 ARG HD3 H 1 3.0900 0.01 . . . . . . . 30 ARG HD3 . 15000 1
287 . 1 . 1 30 30 ARG HE H 1 7.3580 0.01 . . . . . . . 30 ARG HE . 15000 1
288 . 1 . 1 30 30 ARG CA C 13 58.6200 0.1 . . . . . . . 30 ARG CA . 15000 1
289 . 1 . 1 30 30 ARG CB C 13 29.8200 0.1 . . . . . . . 30 ARG CB . 15000 1
290 . 1 . 1 30 30 ARG CD C 13 43.3900 0.1 . . . . . . . 30 ARG CD . 15000 1
291 . 1 . 1 30 30 ARG N N 15 118.5220 0.1 . . . . . . . 30 ARG N . 15000 1
292 . 1 . 1 30 30 ARG NE N 15 118.6700 0.1 . . . . . . . 30 ARG NE . 15000 1
293 . 1 . 1 31 31 GLU H H 1 8.1220 0.01 . . . . . . . 31 GLU H . 15000 1
294 . 1 . 1 31 31 GLU HA H 1 4.1580 0.01 . . . . . . . 31 GLU HA . 15000 1
295 . 1 . 1 31 31 GLU HB2 H 1 2.1860 0.01 . . . . . . . 31 GLU HB2 . 15000 1
296 . 1 . 1 31 31 GLU HG2 H 1 2.6400 0.01 . . . . . . . 31 GLU HG2 . 15000 1
297 . 1 . 1 31 31 GLU HG3 H 1 2.5540 0.01 . . . . . . . 31 GLU HG3 . 15000 1
298 . 1 . 1 31 31 GLU N N 15 118.5770 0.1 . . . . . . . 31 GLU N . 15000 1
299 . 1 . 1 32 32 ARG H H 1 7.6320 0.01 . . . . . . . 32 ARG H . 15000 1
300 . 1 . 1 32 32 ARG HA H 1 4.3290 0.01 . . . . . . . 32 ARG HA . 15000 1
301 . 1 . 1 32 32 ARG HB2 H 1 1.8860 0.01 . . . . . . . 32 ARG HB2 . 15000 1
302 . 1 . 1 32 32 ARG HB3 H 1 1.6240 0.01 . . . . . . . 32 ARG HB3 . 15000 1
303 . 1 . 1 32 32 ARG HG2 H 1 1.5120 0.01 . . . . . . . 32 ARG HG2 . 15000 1
304 . 1 . 1 32 32 ARG HG3 H 1 1.4550 0.01 . . . . . . . 32 ARG HG3 . 15000 1
305 . 1 . 1 32 32 ARG HD2 H 1 2.8930 0.01 . . . . . . . 32 ARG HD2 . 15000 1
306 . 1 . 1 32 32 ARG HD3 H 1 2.7270 0.01 . . . . . . . 32 ARG HD3 . 15000 1
307 . 1 . 1 32 32 ARG HE H 1 6.9530 0.01 . . . . . . . 32 ARG HE . 15000 1
308 . 1 . 1 32 32 ARG CA C 13 55.5500 0.1 . . . . . . . 32 ARG CA . 15000 1
309 . 1 . 1 32 32 ARG CB C 13 30.4700 0.1 . . . . . . . 32 ARG CB . 15000 1
310 . 1 . 1 32 32 ARG CD C 13 42.8300 0.1 . . . . . . . 32 ARG CD . 15000 1
311 . 1 . 1 32 32 ARG N N 15 116.3140 0.1 . . . . . . . 32 ARG N . 15000 1
312 . 1 . 1 32 32 ARG NE N 15 118.6700 0.1 . . . . . . . 32 ARG NE . 15000 1
313 . 1 . 1 33 33 GLY H H 1 7.8600 0.01 . . . . . . . 33 GLY H . 15000 1
314 . 1 . 1 33 33 GLY HA2 H 1 3.9340 0.01 . . . . . . . 33 GLY HA2 . 15000 1
315 . 1 . 1 33 33 GLY HA3 H 1 3.8190 0.01 . . . . . . . 33 GLY HA3 . 15000 1
316 . 1 . 1 33 33 GLY C C 13 176.9180 0.1 . . . . . . . 33 GLY C . 15000 1
317 . 1 . 1 33 33 GLY CA C 13 46.0240 0.1 . . . . . . . 33 GLY CA . 15000 1
318 . 1 . 1 33 33 GLY N N 15 108.3690 0.1 . . . . . . . 33 GLY N . 15000 1
319 . 1 . 1 34 34 LEU H H 1 7.7730 0.01 . . . . . . . 34 LEU H . 15000 1
320 . 1 . 1 34 34 LEU HA H 1 4.4130 0.01 . . . . . . . 34 LEU HA . 15000 1
321 . 1 . 1 34 34 LEU HB2 H 1 1.5010 0.01 . . . . . . . 34 LEU HB2 . 15000 1
322 . 1 . 1 34 34 LEU HG H 1 1.4060 0.01 . . . . . . . 34 LEU HG . 15000 1
323 . 1 . 1 34 34 LEU HD11 H 1 0.7460 0.01 . . . . . . . 34 LEU HD1 . 15000 1
324 . 1 . 1 34 34 LEU HD12 H 1 0.7460 0.01 . . . . . . . 34 LEU HD1 . 15000 1
325 . 1 . 1 34 34 LEU HD13 H 1 0.7460 0.01 . . . . . . . 34 LEU HD1 . 15000 1
326 . 1 . 1 34 34 LEU HD21 H 1 0.6540 0.01 . . . . . . . 34 LEU HD2 . 15000 1
327 . 1 . 1 34 34 LEU HD22 H 1 0.6540 0.01 . . . . . . . 34 LEU HD2 . 15000 1
328 . 1 . 1 34 34 LEU HD23 H 1 0.6540 0.01 . . . . . . . 34 LEU HD2 . 15000 1
329 . 1 . 1 34 34 LEU CA C 13 54.0270 0.1 . . . . . . . 34 LEU CA . 15000 1
330 . 1 . 1 34 34 LEU CB C 13 42.2800 0.1 . . . . . . . 34 LEU CB . 15000 1
331 . 1 . 1 34 34 LEU CD2 C 13 25.1400 0.1 . . . . . . . 34 LEU CD2 . 15000 1
332 . 1 . 1 34 34 LEU N N 15 120.4490 0.1 . . . . . . . 34 LEU N . 15000 1
333 . 1 . 1 35 35 PHE H H 1 7.7420 0.01 . . . . . . . 35 PHE H . 15000 1
334 . 1 . 1 35 35 PHE HA H 1 4.4350 0.01 . . . . . . . 35 PHE HA . 15000 1
335 . 1 . 1 35 35 PHE HB2 H 1 3.1220 0.01 . . . . . . . 35 PHE HB2 . 15000 1
336 . 1 . 1 35 35 PHE HB3 H 1 2.9100 0.01 . . . . . . . 35 PHE HB3 . 15000 1
337 . 1 . 1 35 35 PHE HD1 H 1 7.2050 0.01 . . . . . . . 35 PHE HD1 . 15000 1
338 . 1 . 1 35 35 PHE HE1 H 1 7.3150 0.01 . . . . . . . 35 PHE HE1 . 15000 1
339 . 1 . 1 35 35 PHE HZ H 1 7.2550 0.01 . . . . . . . 35 PHE HZ . 15000 1
340 . 1 . 1 35 35 PHE N N 15 123.9010 0.1 . . . . . . . 35 PHE N . 15000 1
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