Content for NMR-STAR saveframe, "assigned_chemical_shifts_1"
save_assigned_chemical_shifts_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1
_Assigned_chem_shift_list.Entry_ID 30785
_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_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_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 NOESY' . . . 30785 1
2 '2D 1H-1H TOCSY' . . . 30785 1
3 '2D 1H-15N HSQC' . . . 30785 1
4 '2D 1H-13C HSQC' . . . 30785 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 1 1 GLY HA2 H 1 4.049 0.000 . 2 . . . . A 1 GLY HA2 . 30785 1
2 . 1 . 1 1 1 GLY HA3 H 1 4.049 0.000 . 2 . . . . A 1 GLY HA3 . 30785 1
3 . 1 . 1 1 1 GLY CA C 13 43.789 0.000 . 1 . . . . A 1 GLY CA . 30785 1
4 . 1 . 1 2 2 VAL H H 1 8.836 0.002 . 1 . . . . A 2 VAL H . 30785 1
5 . 1 . 1 2 2 VAL HA H 1 4.338 0.001 . 1 . . . . A 2 VAL HA . 30785 1
6 . 1 . 1 2 2 VAL HB H 1 1.972 0.002 . 1 . . . . A 2 VAL HB . 30785 1
7 . 1 . 1 2 2 VAL HG11 H 1 0.893 0.001 . 2 . . . . A 2 VAL HG11 . 30785 1
8 . 1 . 1 2 2 VAL HG12 H 1 0.893 0.001 . 2 . . . . A 2 VAL HG12 . 30785 1
9 . 1 . 1 2 2 VAL HG13 H 1 0.893 0.001 . 2 . . . . A 2 VAL HG13 . 30785 1
10 . 1 . 1 2 2 VAL HG21 H 1 0.870 0.001 . 2 . . . . A 2 VAL HG21 . 30785 1
11 . 1 . 1 2 2 VAL HG22 H 1 0.870 0.001 . 2 . . . . A 2 VAL HG22 . 30785 1
12 . 1 . 1 2 2 VAL HG23 H 1 0.870 0.001 . 2 . . . . A 2 VAL HG23 . 30785 1
13 . 1 . 1 2 2 VAL CA C 13 61.117 0.000 . 1 . . . . A 2 VAL CA . 30785 1
14 . 1 . 1 2 2 VAL CB C 13 35.244 0.000 . 1 . . . . A 2 VAL CB . 30785 1
15 . 1 . 1 2 2 VAL CG1 C 13 21.018 0.000 . 1 . . . . A 2 VAL CG1 . 30785 1
16 . 1 . 1 2 2 VAL CG2 C 13 21.262 0.000 . 1 . . . . A 2 VAL CG2 . 30785 1
17 . 1 . 1 2 2 VAL N N 15 116.964 0.000 . 1 . . . . A 2 VAL N . 30785 1
18 . 1 . 1 3 3 ASP H H 1 8.697 0.002 . 1 . . . . A 3 ASP H . 30785 1
19 . 1 . 1 3 3 ASP HA H 1 4.630 0.000 . 1 . . . . A 3 ASP HA . 30785 1
20 . 1 . 1 3 3 ASP HB2 H 1 2.953 0.000 . 2 . . . . A 3 ASP HB2 . 30785 1
21 . 1 . 1 3 3 ASP HB3 H 1 2.598 0.001 . 2 . . . . A 3 ASP HB3 . 30785 1
22 . 1 . 1 3 3 ASP CA C 13 52.983 0.000 . 1 . . . . A 3 ASP CA . 30785 1
23 . 1 . 1 3 3 ASP CB C 13 38.421 0.010 . 1 . . . . A 3 ASP CB . 30785 1
24 . 1 . 1 3 3 ASP N N 15 123.396 0.000 . 1 . . . . A 3 ASP N . 30785 1
25 . 1 . 1 4 4 LYS H H 1 7.503 0.000 . 1 . . . . A 4 LYS H . 30785 1
26 . 1 . 1 4 4 LYS HA H 1 4.753 0.000 . 1 . . . . A 4 LYS HA . 30785 1
27 . 1 . 1 4 4 LYS HB2 H 1 1.728 0.000 . 2 . . . . A 4 LYS HB2 . 30785 1
28 . 1 . 1 4 4 LYS HB3 H 1 1.683 0.001 . 2 . . . . A 4 LYS HB3 . 30785 1
29 . 1 . 1 4 4 LYS HG2 H 1 1.177 0.001 . 2 . . . . A 4 LYS HG2 . 30785 1
30 . 1 . 1 4 4 LYS HG3 H 1 1.258 0.000 . 2 . . . . A 4 LYS HG3 . 30785 1
31 . 1 . 1 4 4 LYS HD2 H 1 1.597 0.001 . 2 . . . . A 4 LYS HD2 . 30785 1
32 . 1 . 1 4 4 LYS HD3 H 1 1.597 0.001 . 2 . . . . A 4 LYS HD3 . 30785 1
33 . 1 . 1 4 4 LYS CA C 13 53.662 0.000 . 1 . . . . A 4 LYS CA . 30785 1
34 . 1 . 1 4 4 LYS CB C 13 33.239 0.000 . 1 . . . . A 4 LYS CB . 30785 1
35 . 1 . 1 4 4 LYS CG C 13 24.015 0.006 . 1 . . . . A 4 LYS CG . 30785 1
36 . 1 . 1 4 4 LYS CD C 13 29.307 0.000 . 1 . . . . A 4 LYS CD . 30785 1
37 . 1 . 1 4 4 LYS N N 15 123.573 0.000 . 1 . . . . A 4 LYS N . 30785 1
38 . 1 . 1 5 5 PRO HA H 1 4.393 0.003 . 1 . . . . A 5 PRO HA . 30785 1
39 . 1 . 1 5 5 PRO HB2 H 1 2.316 0.002 . 2 . . . . A 5 PRO HB2 . 30785 1
40 . 1 . 1 5 5 PRO HB3 H 1 1.878 0.001 . 2 . . . . A 5 PRO HB3 . 30785 1
41 . 1 . 1 5 5 PRO HG2 H 1 2.076 0.001 . 2 . . . . A 5 PRO HG2 . 30785 1
42 . 1 . 1 5 5 PRO HG3 H 1 1.964 0.002 . 2 . . . . A 5 PRO HG3 . 30785 1
43 . 1 . 1 5 5 PRO HD2 H 1 3.801 0.001 . 2 . . . . A 5 PRO HD2 . 30785 1
44 . 1 . 1 5 5 PRO HD3 H 1 3.592 0.002 . 2 . . . . A 5 PRO HD3 . 30785 1
45 . 1 . 1 5 5 PRO CA C 13 63.669 0.000 . 1 . . . . A 5 PRO CA . 30785 1
46 . 1 . 1 5 5 PRO CB C 13 31.858 0.002 . 1 . . . . A 5 PRO CB . 30785 1
47 . 1 . 1 5 5 PRO CG C 13 27.647 0.006 . 1 . . . . A 5 PRO CG . 30785 1
48 . 1 . 1 5 5 PRO CD C 13 50.847 0.001 . 1 . . . . A 5 PRO CD . 30785 1
49 . 1 . 1 6 6 GLY H H 1 8.780 0.002 . 1 . . . . A 6 GLY H . 30785 1
50 . 1 . 1 6 6 GLY HA2 H 1 4.050 0.001 . 2 . . . . A 6 GLY HA2 . 30785 1
51 . 1 . 1 6 6 GLY HA3 H 1 3.806 0.000 . 2 . . . . A 6 GLY HA3 . 30785 1
52 . 1 . 1 6 6 GLY CA C 13 45.273 0.000 . 1 . . . . A 6 GLY CA . 30785 1
53 . 1 . 1 6 6 GLY N N 15 111.409 0.000 . 1 . . . . A 6 GLY N . 30785 1
54 . 1 . 1 7 7 CYS H H 1 7.717 0.001 . 1 . . . . A 7 CYS H . 30785 1
55 . 1 . 1 7 7 CYS HA H 1 4.359 0.002 . 1 . . . . A 7 CYS HA . 30785 1
56 . 1 . 1 7 7 CYS HB2 H 1 2.966 0.003 . 1 . . . . A 7 CYS HB2 . 30785 1
57 . 1 . 1 7 7 CYS HB3 H 1 3.115 0.001 . 1 . . . . A 7 CYS HB3 . 30785 1
58 . 1 . 1 7 7 CYS CA C 13 55.250 0.000 . 1 . . . . A 7 CYS CA . 30785 1
59 . 1 . 1 7 7 CYS CB C 13 40.886 0.019 . 1 . . . . A 7 CYS CB . 30785 1
60 . 1 . 1 7 7 CYS N N 15 118.156 0.000 . 1 . . . . A 7 CYS N . 30785 1
61 . 1 . 1 8 8 ARG H H 1 8.908 0.002 . 1 . . . . A 8 ARG H . 30785 1
62 . 1 . 1 8 8 ARG HA H 1 4.414 0.004 . 1 . . . . A 8 ARG HA . 30785 1
63 . 1 . 1 8 8 ARG HB2 H 1 1.695 0.001 . 1 . . . . A 8 ARG HB2 . 30785 1
64 . 1 . 1 8 8 ARG HB3 H 1 2.039 0.003 . 1 . . . . A 8 ARG HB3 . 30785 1
65 . 1 . 1 8 8 ARG HG2 H 1 1.839 0.002 . 2 . . . . A 8 ARG HG2 . 30785 1
66 . 1 . 1 8 8 ARG HG3 H 1 1.972 0.005 . 2 . . . . A 8 ARG HG3 . 30785 1
67 . 1 . 1 8 8 ARG HD2 H 1 3.257 0.002 . 2 . . . . A 8 ARG HD2 . 30785 1
68 . 1 . 1 8 8 ARG HD3 H 1 3.257 0.002 . 2 . . . . A 8 ARG HD3 . 30785 1
69 . 1 . 1 8 8 ARG HE H 1 7.173 0.002 . 1 . . . . A 8 ARG HE . 30785 1
70 . 1 . 1 8 8 ARG CA C 13 58.121 0.000 . 1 . . . . A 8 ARG CA . 30785 1
71 . 1 . 1 8 8 ARG CB C 13 31.722 0.006 . 1 . . . . A 8 ARG CB . 30785 1
72 . 1 . 1 8 8 ARG CG C 13 27.762 0.002 . 1 . . . . A 8 ARG CG . 30785 1
73 . 1 . 1 8 8 ARG CD C 13 43.218 0.000 . 1 . . . . A 8 ARG CD . 30785 1
74 . 1 . 1 8 8 ARG N N 15 121.764 0.000 . 1 . . . . A 8 ARG N . 30785 1
75 . 1 . 1 8 8 ARG NE N 15 85.993 0.000 . 1 . . . . A 8 ARG NE . 30785 1
76 . 1 . 1 9 9 TYR H H 1 8.205 0.003 . 1 . . . . A 9 TYR H . 30785 1
77 . 1 . 1 9 9 TYR HA H 1 4.199 0.001 . 1 . . . . A 9 TYR HA . 30785 1
78 . 1 . 1 9 9 TYR HB2 H 1 3.140 0.001 . 2 . . . . A 9 TYR HB2 . 30785 1
79 . 1 . 1 9 9 TYR HB3 H 1 2.828 0.002 . 2 . . . . A 9 TYR HB3 . 30785 1
80 . 1 . 1 9 9 TYR HD1 H 1 7.098 0.002 . 1 . . . . A 9 TYR HD1 . 30785 1
81 . 1 . 1 9 9 TYR HD2 H 1 7.098 0.002 . 1 . . . . A 9 TYR HD2 . 30785 1
82 . 1 . 1 9 9 TYR HE1 H 1 6.875 0.000 . 1 . . . . A 9 TYR HE1 . 30785 1
83 . 1 . 1 9 9 TYR HE2 H 1 6.875 0.000 . 1 . . . . A 9 TYR HE2 . 30785 1
84 . 1 . 1 9 9 TYR CA C 13 56.324 0.000 . 1 . . . . A 9 TYR CA . 30785 1
85 . 1 . 1 9 9 TYR CB C 13 39.064 0.005 . 1 . . . . A 9 TYR CB . 30785 1
86 . 1 . 1 9 9 TYR CD1 C 13 132.958 0.000 . 1 . . . . A 9 TYR CD1 . 30785 1
87 . 1 . 1 9 9 TYR CE1 C 13 118.922 0.000 . 1 . . . . A 9 TYR CE1 . 30785 1
88 . 1 . 1 9 9 TYR N N 15 121.603 0.000 . 1 . . . . A 9 TYR N . 30785 1
89 . 1 . 1 10 10 LEU H H 1 6.671 0.001 . 1 . . . . A 10 LEU H . 30785 1
90 . 1 . 1 10 10 LEU HA H 1 3.181 0.002 . 1 . . . . A 10 LEU HA . 30785 1
91 . 1 . 1 10 10 LEU HB2 H 1 0.575 0.003 . 1 . . . . A 10 LEU HB2 . 30785 1
92 . 1 . 1 10 10 LEU HB3 H 1 1.094 0.002 . 1 . . . . A 10 LEU HB3 . 30785 1
93 . 1 . 1 10 10 LEU HG H 1 0.476 0.002 . 1 . . . . A 10 LEU HG . 30785 1
94 . 1 . 1 10 10 LEU HD11 H 1 0.132 0.001 . 2 . . . . A 10 LEU HD11 . 30785 1
95 . 1 . 1 10 10 LEU HD12 H 1 0.132 0.001 . 2 . . . . A 10 LEU HD12 . 30785 1
96 . 1 . 1 10 10 LEU HD13 H 1 0.132 0.001 . 2 . . . . A 10 LEU HD13 . 30785 1
97 . 1 . 1 10 10 LEU HD21 H 1 0.070 0.002 . 2 . . . . A 10 LEU HD21 . 30785 1
98 . 1 . 1 10 10 LEU HD22 H 1 0.070 0.002 . 2 . . . . A 10 LEU HD22 . 30785 1
99 . 1 . 1 10 10 LEU HD23 H 1 0.070 0.002 . 2 . . . . A 10 LEU HD23 . 30785 1
100 . 1 . 1 10 10 LEU CA C 13 56.738 0.000 . 1 . . . . A 10 LEU CA . 30785 1
101 . 1 . 1 10 10 LEU CB C 13 42.327 0.006 . 1 . . . . A 10 LEU CB . 30785 1
102 . 1 . 1 10 10 LEU CG C 13 25.841 0.000 . 1 . . . . A 10 LEU CG . 30785 1
103 . 1 . 1 10 10 LEU CD1 C 13 22.854 0.000 . 1 . . . . A 10 LEU CD1 . 30785 1
104 . 1 . 1 10 10 LEU CD2 C 13 25.367 0.000 . 1 . . . . A 10 LEU CD2 . 30785 1
105 . 1 . 1 10 10 LEU N N 15 120.905 0.000 . 1 . . . . A 10 LEU N . 30785 1
106 . 1 . 1 11 11 PHE H H 1 8.941 0.002 . 1 . . . . A 11 PHE H . 30785 1
107 . 1 . 1 11 11 PHE HA H 1 4.020 0.001 . 1 . . . . A 11 PHE HA . 30785 1
108 . 1 . 1 11 11 PHE HB2 H 1 3.455 0.002 . 2 . . . . A 11 PHE HB2 . 30785 1
109 . 1 . 1 11 11 PHE HB3 H 1 3.240 0.005 . 2 . . . . A 11 PHE HB3 . 30785 1
110 . 1 . 1 11 11 PHE HD1 H 1 6.879 0.002 . 1 . . . . A 11 PHE HD1 . 30785 1
111 . 1 . 1 11 11 PHE HD2 H 1 6.879 0.002 . 1 . . . . A 11 PHE HD2 . 30785 1
112 . 1 . 1 11 11 PHE HE1 H 1 7.259 0.002 . 1 . . . . A 11 PHE HE1 . 30785 1
113 . 1 . 1 11 11 PHE HE2 H 1 7.259 0.002 . 1 . . . . A 11 PHE HE2 . 30785 1
114 . 1 . 1 11 11 PHE CA C 13 60.488 0.000 . 1 . . . . A 11 PHE CA . 30785 1
115 . 1 . 1 11 11 PHE CB C 13 36.227 0.004 . 1 . . . . A 11 PHE CB . 30785 1
116 . 1 . 1 11 11 PHE CD2 C 13 131.222 0.000 . 1 . . . . A 11 PHE CD2 . 30785 1
117 . 1 . 1 11 11 PHE CE1 C 13 129.672 0.000 . 1 . . . . A 11 PHE CE1 . 30785 1
118 . 1 . 1 11 11 PHE N N 15 117.945 0.000 . 1 . . . . A 11 PHE N . 30785 1
119 . 1 . 1 12 12 GLY H H 1 9.059 0.001 . 1 . . . . A 12 GLY H . 30785 1
120 . 1 . 1 12 12 GLY HA2 H 1 4.199 0.002 . 1 . . . . A 12 GLY HA2 . 30785 1
121 . 1 . 1 12 12 GLY HA3 H 1 3.499 0.003 . 1 . . . . A 12 GLY HA3 . 30785 1
122 . 1 . 1 12 12 GLY CA C 13 45.308 0.003 . 1 . . . . A 12 GLY CA . 30785 1
123 . 1 . 1 12 12 GLY N N 15 110.507 0.000 . 1 . . . . A 12 GLY N . 30785 1
124 . 1 . 1 13 13 GLY H H 1 8.682 0.002 . 1 . . . . A 13 GLY H . 30785 1
125 . 1 . 1 13 13 GLY HA2 H 1 4.341 0.003 . 2 . . . . A 13 GLY HA2 . 30785 1
126 . 1 . 1 13 13 GLY HA3 H 1 3.725 0.002 . 2 . . . . A 13 GLY HA3 . 30785 1
127 . 1 . 1 13 13 GLY CA C 13 46.067 0.009 . 1 . . . . A 13 GLY CA . 30785 1
128 . 1 . 1 13 13 GLY N N 15 110.191 0.000 . 1 . . . . A 13 GLY N . 30785 1
129 . 1 . 1 14 14 CYS H H 1 7.655 0.002 . 1 . . . . A 14 CYS H . 30785 1
130 . 1 . 1 14 14 CYS HA H 1 4.859 0.000 . 1 . . . . A 14 CYS HA . 30785 1
131 . 1 . 1 14 14 CYS HB2 H 1 3.129 0.001 . 1 . . . . A 14 CYS HB2 . 30785 1
132 . 1 . 1 14 14 CYS HB3 H 1 3.253 0.002 . 1 . . . . A 14 CYS HB3 . 30785 1
133 . 1 . 1 14 14 CYS CA C 13 53.869 0.000 . 1 . . . . A 14 CYS CA . 30785 1
134 . 1 . 1 14 14 CYS CB C 13 46.817 0.005 . 1 . . . . A 14 CYS CB . 30785 1
135 . 1 . 1 14 14 CYS N N 15 115.068 0.000 . 1 . . . . A 14 CYS N . 30785 1
136 . 1 . 1 15 15 LYS H H 1 9.254 0.001 . 1 . . . . A 15 LYS H . 30785 1
137 . 1 . 1 15 15 LYS HA H 1 4.448 0.000 . 1 . . . . A 15 LYS HA . 30785 1
138 . 1 . 1 15 15 LYS HB2 H 1 1.825 0.000 . 2 . . . . A 15 LYS HB2 . 30785 1
139 . 1 . 1 15 15 LYS HB3 H 1 1.747 0.002 . 2 . . . . A 15 LYS HB3 . 30785 1
140 . 1 . 1 15 15 LYS HG2 H 1 1.400 0.000 . 2 . . . . A 15 LYS HG2 . 30785 1
141 . 1 . 1 15 15 LYS HD2 H 1 1.668 0.001 . 2 . . . . A 15 LYS HD2 . 30785 1
142 . 1 . 1 15 15 LYS HD3 H 1 1.399 0.002 . 2 . . . . A 15 LYS HD3 . 30785 1
143 . 1 . 1 15 15 LYS HE2 H 1 2.958 0.002 . 2 . . . . A 15 LYS HE2 . 30785 1
144 . 1 . 1 15 15 LYS HE3 H 1 2.958 0.002 . 2 . . . . A 15 LYS HE3 . 30785 1
145 . 1 . 1 15 15 LYS CA C 13 56.379 0.000 . 1 . . . . A 15 LYS CA . 30785 1
146 . 1 . 1 15 15 LYS CB C 13 34.504 0.009 . 1 . . . . A 15 LYS CB . 30785 1
147 . 1 . 1 15 15 LYS CG C 13 24.763 0.000 . 1 . . . . A 15 LYS CG . 30785 1
148 . 1 . 1 15 15 LYS CD C 13 29.047 0.010 . 1 . . . . A 15 LYS CD . 30785 1
149 . 1 . 1 15 15 LYS CE C 13 42.187 0.000 . 1 . . . . A 15 LYS CE . 30785 1
150 . 1 . 1 15 15 LYS N N 15 117.205 0.000 . 1 . . . . A 15 LYS N . 30785 1
151 . 1 . 1 16 16 SER H H 1 8.070 0.002 . 1 . . . . A 16 SER H . 30785 1
152 . 1 . 1 16 16 SER HA H 1 4.663 0.008 . 1 . . . . A 16 SER HA . 30785 1
153 . 1 . 1 16 16 SER HB2 H 1 3.727 0.001 . 2 . . . . A 16 SER HB2 . 30785 1
154 . 1 . 1 16 16 SER HB3 H 1 3.973 0.001 . 2 . . . . A 16 SER HB3 . 30785 1
155 . 1 . 1 16 16 SER CA C 13 56.697 0.000 . 1 . . . . A 16 SER CA . 30785 1
156 . 1 . 1 16 16 SER CB C 13 65.991 0.009 . 1 . . . . A 16 SER CB . 30785 1
157 . 1 . 1 16 16 SER N N 15 114.581 0.000 . 1 . . . . A 16 SER N . 30785 1
158 . 1 . 1 17 17 ASP H H 1 9.185 0.001 . 1 . . . . A 17 ASP H . 30785 1
159 . 1 . 1 17 17 ASP HA H 1 4.086 0.002 . 1 . . . . A 17 ASP HA . 30785 1
160 . 1 . 1 17 17 ASP HB2 H 1 2.867 0.001 . 2 . . . . A 17 ASP HB2 . 30785 1
161 . 1 . 1 17 17 ASP HB3 H 1 2.712 0.001 . 2 . . . . A 17 ASP HB3 . 30785 1
162 . 1 . 1 17 17 ASP CA C 13 58.489 0.000 . 1 . . . . A 17 ASP CA . 30785 1
163 . 1 . 1 17 17 ASP CB C 13 40.494 0.013 . 1 . . . . A 17 ASP CB . 30785 1
164 . 1 . 1 17 17 ASP N N 15 123.664 0.000 . 1 . . . . A 17 ASP N . 30785 1
165 . 1 . 1 18 18 ASP H H 1 8.024 0.002 . 1 . . . . A 18 ASP H . 30785 1
166 . 1 . 1 18 18 ASP HA H 1 4.368 0.003 . 1 . . . . A 18 ASP HA . 30785 1
167 . 1 . 1 18 18 ASP HB2 H 1 2.646 0.001 . 2 . . . . A 18 ASP HB2 . 30785 1
168 . 1 . 1 18 18 ASP HB3 H 1 2.795 0.003 . 2 . . . . A 18 ASP HB3 . 30785 1
169 . 1 . 1 18 18 ASP CA C 13 55.078 0.000 . 1 . . . . A 18 ASP CA . 30785 1
170 . 1 . 1 18 18 ASP CB C 13 38.468 0.003 . 1 . . . . A 18 ASP CB . 30785 1
171 . 1 . 1 18 18 ASP N N 15 114.749 0.000 . 1 . . . . A 18 ASP N . 30785 1
172 . 1 . 1 19 19 ASP H H 1 7.638 0.004 . 1 . . . . A 19 ASP H . 30785 1
173 . 1 . 1 19 19 ASP HA H 1 4.546 0.000 . 1 . . . . A 19 ASP HA . 30785 1
174 . 1 . 1 19 19 ASP HB2 H 1 2.894 0.000 . 2 . . . . A 19 ASP HB2 . 30785 1
175 . 1 . 1 19 19 ASP HB3 H 1 2.852 0.000 . 2 . . . . A 19 ASP HB3 . 30785 1
176 . 1 . 1 19 19 ASP CA C 13 55.627 0.000 . 1 . . . . A 19 ASP CA . 30785 1
177 . 1 . 1 19 19 ASP N N 15 116.331 0.000 . 1 . . . . A 19 ASP N . 30785 1
178 . 1 . 1 20 20 CYS H H 1 7.692 0.002 . 1 . . . . A 20 CYS H . 30785 1
179 . 1 . 1 20 20 CYS HA H 1 5.104 0.003 . 1 . . . . A 20 CYS HA . 30785 1
180 . 1 . 1 20 20 CYS HB2 H 1 2.723 0.001 . 1 . . . . A 20 CYS HB2 . 30785 1
181 . 1 . 1 20 20 CYS HB3 H 1 3.084 0.005 . 1 . . . . A 20 CYS HB3 . 30785 1
182 . 1 . 1 20 20 CYS CA C 13 53.491 0.000 . 1 . . . . A 20 CYS CA . 30785 1
183 . 1 . 1 20 20 CYS CB C 13 41.569 0.009 . 1 . . . . A 20 CYS CB . 30785 1
184 . 1 . 1 20 20 CYS N N 15 118.383 0.000 . 1 . . . . A 20 CYS N . 30785 1
185 . 1 . 1 21 21 CYS H H 1 9.022 0.001 . 1 . . . . A 21 CYS H . 30785 1
186 . 1 . 1 21 21 CYS HA H 1 4.970 0.003 . 1 . . . . A 21 CYS HA . 30785 1
187 . 1 . 1 21 21 CYS HB2 H 1 2.030 0.001 . 1 . . . . A 21 CYS HB2 . 30785 1
188 . 1 . 1 21 21 CYS HB3 H 1 3.366 0.003 . 1 . . . . A 21 CYS HB3 . 30785 1
189 . 1 . 1 21 21 CYS CA C 13 53.586 0.000 . 1 . . . . A 21 CYS CA . 30785 1
190 . 1 . 1 21 21 CYS CB C 13 36.412 0.008 . 1 . . . . A 21 CYS CB . 30785 1
191 . 1 . 1 21 21 CYS N N 15 120.553 0.000 . 1 . . . . A 21 CYS N . 30785 1
192 . 1 . 1 22 22 PRO HA H 1 3.964 0.002 . 1 . . . . A 22 PRO HA . 30785 1
193 . 1 . 1 22 22 PRO HB2 H 1 2.325 0.002 . 1 . . . . A 22 PRO HB2 . 30785 1
194 . 1 . 1 22 22 PRO HB3 H 1 1.728 0.001 . 1 . . . . A 22 PRO HB3 . 30785 1
195 . 1 . 1 22 22 PRO HG2 H 1 2.112 0.001 . 2 . . . . A 22 PRO HG2 . 30785 1
196 . 1 . 1 22 22 PRO HG3 H 1 1.705 0.001 . 2 . . . . A 22 PRO HG3 . 30785 1
197 . 1 . 1 22 22 PRO HD2 H 1 3.710 0.003 . 1 . . . . A 22 PRO HD2 . 30785 1
198 . 1 . 1 22 22 PRO HD3 H 1 3.495 0.002 . 1 . . . . A 22 PRO HD3 . 30785 1
199 . 1 . 1 22 22 PRO CA C 13 65.192 0.000 . 1 . . . . A 22 PRO CA . 30785 1
200 . 1 . 1 22 22 PRO CB C 13 32.166 0.019 . 1 . . . . A 22 PRO CB . 30785 1
201 . 1 . 1 22 22 PRO CG C 13 28.922 0.008 . 1 . . . . A 22 PRO CG . 30785 1
202 . 1 . 1 22 22 PRO CD C 13 50.777 0.011 . 1 . . . . A 22 PRO CD . 30785 1
203 . 1 . 1 23 23 ARG H H 1 8.542 0.004 . 1 . . . . A 23 ARG H . 30785 1
204 . 1 . 1 23 23 ARG HA H 1 3.841 0.002 . 1 . . . . A 23 ARG HA . 30785 1
205 . 1 . 1 23 23 ARG HB2 H 1 2.653 0.003 . 2 . . . . A 23 ARG HB2 . 30785 1
206 . 1 . 1 23 23 ARG HB3 H 1 2.183 0.003 . 2 . . . . A 23 ARG HB3 . 30785 1
207 . 1 . 1 23 23 ARG HG2 H 1 1.565 0.002 . 2 . . . . A 23 ARG HG2 . 30785 1
208 . 1 . 1 23 23 ARG HG3 H 1 1.565 0.002 . 2 . . . . A 23 ARG HG3 . 30785 1
209 . 1 . 1 23 23 ARG HD2 H 1 3.149 0.005 . 2 . . . . A 23 ARG HD2 . 30785 1
210 . 1 . 1 23 23 ARG HD3 H 1 3.141 0.000 . 2 . . . . A 23 ARG HD3 . 30785 1
211 . 1 . 1 23 23 ARG HE H 1 7.024 0.002 . 1 . . . . A 23 ARG HE . 30785 1
212 . 1 . 1 23 23 ARG CA C 13 59.266 0.000 . 1 . . . . A 23 ARG CA . 30785 1
213 . 1 . 1 23 23 ARG CB C 13 28.079 0.001 . 1 . . . . A 23 ARG CB . 30785 1
214 . 1 . 1 23 23 ARG CG C 13 28.049 0.000 . 1 . . . . A 23 ARG CG . 30785 1
215 . 1 . 1 23 23 ARG CD C 13 43.689 0.000 . 1 . . . . A 23 ARG CD . 30785 1
216 . 1 . 1 23 23 ARG N N 15 112.427 0.000 . 1 . . . . A 23 ARG N . 30785 1
217 . 1 . 1 23 23 ARG NE N 15 84.589 0.000 . 1 . . . . A 23 ARG NE . 30785 1
218 . 1 . 1 24 24 LEU H H 1 7.808 0.002 . 1 . . . . A 24 LEU H . 30785 1
219 . 1 . 1 24 24 LEU HA H 1 4.909 0.003 . 1 . . . . A 24 LEU HA . 30785 1
220 . 1 . 1 24 24 LEU HB2 H 1 2.107 0.002 . 1 . . . . A 24 LEU HB2 . 30785 1
221 . 1 . 1 24 24 LEU HB3 H 1 0.964 0.002 . 1 . . . . A 24 LEU HB3 . 30785 1
222 . 1 . 1 24 24 LEU HG H 1 1.138 0.002 . 1 . . . . A 24 LEU HG . 30785 1
223 . 1 . 1 24 24 LEU HD11 H 1 0.488 0.002 . 1 . . . . A 24 LEU HD11 . 30785 1
224 . 1 . 1 24 24 LEU HD12 H 1 0.488 0.002 . 1 . . . . A 24 LEU HD12 . 30785 1
225 . 1 . 1 24 24 LEU HD13 H 1 0.488 0.002 . 1 . . . . A 24 LEU HD13 . 30785 1
226 . 1 . 1 24 24 LEU HD21 H 1 -0.365 0.003 . 1 . . . . A 24 LEU HD21 . 30785 1
227 . 1 . 1 24 24 LEU HD22 H 1 -0.365 0.003 . 1 . . . . A 24 LEU HD22 . 30785 1
228 . 1 . 1 24 24 LEU HD23 H 1 -0.365 0.003 . 1 . . . . A 24 LEU HD23 . 30785 1
229 . 1 . 1 24 24 LEU CA C 13 53.300 0.000 . 1 . . . . A 24 LEU CA . 30785 1
230 . 1 . 1 24 24 LEU CB C 13 44.566 0.012 . 1 . . . . A 24 LEU CB . 30785 1
231 . 1 . 1 24 24 LEU CG C 13 26.796 0.000 . 1 . . . . A 24 LEU CG . 30785 1
232 . 1 . 1 24 24 LEU CD1 C 13 27.177 0.000 . 1 . . . . A 24 LEU CD1 . 30785 1
233 . 1 . 1 24 24 LEU CD2 C 13 24.926 0.000 . 1 . . . . A 24 LEU CD2 . 30785 1
234 . 1 . 1 24 24 LEU N N 15 119.377 0.000 . 1 . . . . A 24 LEU N . 30785 1
235 . 1 . 1 25 25 GLY H H 1 8.991 0.001 . 1 . . . . A 25 GLY H . 30785 1
236 . 1 . 1 25 25 GLY HA2 H 1 4.312 0.005 . 2 . . . . A 25 GLY HA2 . 30785 1
237 . 1 . 1 25 25 GLY HA3 H 1 3.616 0.004 . 2 . . . . A 25 GLY HA3 . 30785 1
238 . 1 . 1 25 25 GLY CA C 13 43.409 0.000 . 1 . . . . A 25 GLY CA . 30785 1
239 . 1 . 1 25 25 GLY N N 15 106.459 0.000 . 1 . . . . A 25 GLY N . 30785 1
240 . 1 . 1 26 26 CYS H H 1 9.319 0.002 . 1 . . . . A 26 CYS H . 30785 1
241 . 1 . 1 26 26 CYS HA H 1 4.631 0.000 . 1 . . . . A 26 CYS HA . 30785 1
242 . 1 . 1 26 26 CYS HB2 H 1 2.726 0.001 . 2 . . . . A 26 CYS HB2 . 30785 1
243 . 1 . 1 26 26 CYS HB3 H 1 2.413 0.005 . 2 . . . . A 26 CYS HB3 . 30785 1
244 . 1 . 1 26 26 CYS CA C 13 55.346 0.000 . 1 . . . . A 26 CYS CA . 30785 1
245 . 1 . 1 26 26 CYS CB C 13 39.622 0.002 . 1 . . . . A 26 CYS CB . 30785 1
246 . 1 . 1 26 26 CYS N N 15 121.965 0.000 . 1 . . . . A 26 CYS N . 30785 1
247 . 1 . 1 27 27 LYS H H 1 8.475 0.003 . 1 . . . . A 27 LYS H . 30785 1
248 . 1 . 1 27 27 LYS HA H 1 4.316 0.001 . 1 . . . . A 27 LYS HA . 30785 1
249 . 1 . 1 27 27 LYS HB2 H 1 1.593 0.003 . 2 . . . . A 27 LYS HB2 . 30785 1
250 . 1 . 1 27 27 LYS HB3 H 1 1.218 0.002 . 2 . . . . A 27 LYS HB3 . 30785 1
251 . 1 . 1 27 27 LYS HG2 H 1 1.124 0.002 . 1 . . . . A 27 LYS HG2 . 30785 1
252 . 1 . 1 27 27 LYS HG3 H 1 1.070 0.000 . 1 . . . . A 27 LYS HG3 . 30785 1
253 . 1 . 1 27 27 LYS HD2 H 1 1.404 0.006 . 2 . . . . A 27 LYS HD2 . 30785 1
254 . 1 . 1 27 27 LYS HD3 H 1 1.348 0.000 . 2 . . . . A 27 LYS HD3 . 30785 1
255 . 1 . 1 27 27 LYS HE2 H 1 2.734 0.003 . 2 . . . . A 27 LYS HE2 . 30785 1
256 . 1 . 1 27 27 LYS HE3 H 1 2.847 0.001 . 2 . . . . A 27 LYS HE3 . 30785 1
257 . 1 . 1 27 27 LYS CA C 13 55.447 0.000 . 1 . . . . A 27 LYS CA . 30785 1
258 . 1 . 1 27 27 LYS CB C 13 34.481 0.003 . 1 . . . . A 27 LYS CB . 30785 1
259 . 1 . 1 27 27 LYS CG C 13 24.746 0.000 . 1 . . . . A 27 LYS CG . 30785 1
260 . 1 . 1 27 27 LYS CE C 13 42.248 0.000 . 1 . . . . A 27 LYS CE . 30785 1
261 . 1 . 1 27 27 LYS N N 15 130.021 0.000 . 1 . . . . A 27 LYS N . 30785 1
262 . 1 . 1 28 28 GLY H H 1 8.008 0.003 . 1 . . . . A 28 GLY H . 30785 1
263 . 1 . 1 28 28 GLY HA2 H 1 4.099 0.001 . 2 . . . . A 28 GLY HA2 . 30785 1
264 . 1 . 1 28 28 GLY HA3 H 1 3.761 0.000 . 2 . . . . A 28 GLY HA3 . 30785 1
265 . 1 . 1 28 28 GLY CA C 13 44.451 0.002 . 1 . . . . A 28 GLY CA . 30785 1
266 . 1 . 1 28 28 GLY N N 15 108.502 0.000 . 1 . . . . A 28 GLY N . 30785 1
267 . 1 . 1 29 29 LYS H H 1 8.437 0.002 . 1 . . . . A 29 LYS H . 30785 1
268 . 1 . 1 29 29 LYS HA H 1 4.245 0.001 . 1 . . . . A 29 LYS HA . 30785 1
269 . 1 . 1 29 29 LYS HB2 H 1 1.897 0.002 . 2 . . . . A 29 LYS HB2 . 30785 1
270 . 1 . 1 29 29 LYS HB3 H 1 1.725 0.006 . 2 . . . . A 29 LYS HB3 . 30785 1
271 . 1 . 1 29 29 LYS HG2 H 1 1.431 0.002 . 2 . . . . A 29 LYS HG2 . 30785 1
272 . 1 . 1 29 29 LYS HG3 H 1 1.373 0.000 . 2 . . . . A 29 LYS HG3 . 30785 1
273 . 1 . 1 29 29 LYS HD2 H 1 1.682 0.002 . 2 . . . . A 29 LYS HD2 . 30785 1
274 . 1 . 1 29 29 LYS HD3 H 1 1.628 0.000 . 2 . . . . A 29 LYS HD3 . 30785 1
275 . 1 . 1 29 29 LYS HE2 H 1 2.983 0.003 . 2 . . . . A 29 LYS HE2 . 30785 1
276 . 1 . 1 29 29 LYS HE3 H 1 2.930 0.000 . 2 . . . . A 29 LYS HE3 . 30785 1
277 . 1 . 1 29 29 LYS CA C 13 56.445 0.000 . 1 . . . . A 29 LYS CA . 30785 1
278 . 1 . 1 29 29 LYS CB C 13 32.254 0.001 . 1 . . . . A 29 LYS CB . 30785 1
279 . 1 . 1 29 29 LYS CG C 13 24.820 0.002 . 1 . . . . A 29 LYS CG . 30785 1
280 . 1 . 1 29 29 LYS CD C 13 29.151 0.000 . 1 . . . . A 29 LYS CD . 30785 1
281 . 1 . 1 29 29 LYS CE C 13 42.238 0.000 . 1 . . . . A 29 LYS CE . 30785 1
282 . 1 . 1 29 29 LYS N N 15 120.827 0.000 . 1 . . . . A 29 LYS N . 30785 1
283 . 1 . 1 30 30 GLY H H 1 8.439 0.002 . 1 . . . . A 30 GLY H . 30785 1
284 . 1 . 1 30 30 GLY HA2 H 1 3.521 0.004 . 2 . . . . A 30 GLY HA2 . 30785 1
285 . 1 . 1 30 30 GLY HA3 H 1 4.101 0.003 . 2 . . . . A 30 GLY HA3 . 30785 1
286 . 1 . 1 30 30 GLY CA C 13 45.783 0.002 . 1 . . . . A 30 GLY CA . 30785 1
287 . 1 . 1 30 30 GLY N N 15 110.938 0.000 . 1 . . . . A 30 GLY N . 30785 1
288 . 1 . 1 31 31 HIS H H 1 7.946 0.003 . 1 . . . . A 31 HIS H . 30785 1
289 . 1 . 1 31 31 HIS HA H 1 4.413 0.002 . 1 . . . . A 31 HIS HA . 30785 1
290 . 1 . 1 31 31 HIS HB2 H 1 3.088 0.001 . 2 . . . . A 31 HIS HB2 . 30785 1
291 . 1 . 1 31 31 HIS HB3 H 1 3.088 0.001 . 2 . . . . A 31 HIS HB3 . 30785 1
292 . 1 . 1 31 31 HIS HD2 H 1 7.276 0.003 . 1 . . . . A 31 HIS HD2 . 30785 1
293 . 1 . 1 31 31 HIS HE1 H 1 8.585 0.002 . 1 . . . . A 31 HIS HE1 . 30785 1
294 . 1 . 1 31 31 HIS CA C 13 55.668 0.000 . 1 . . . . A 31 HIS CA . 30785 1
295 . 1 . 1 31 31 HIS CB C 13 27.723 0.000 . 1 . . . . A 31 HIS CB . 30785 1
296 . 1 . 1 31 31 HIS CD2 C 13 119.979 0.000 . 1 . . . . A 31 HIS CD2 . 30785 1
297 . 1 . 1 31 31 HIS CE1 C 13 136.424 0.000 . 1 . . . . A 31 HIS CE1 . 30785 1
298 . 1 . 1 31 31 HIS N N 15 119.718 0.000 . 1 . . . . A 31 HIS N . 30785 1
299 . 1 . 1 32 32 ASP H H 1 8.157 0.002 . 1 . . . . A 32 ASP H . 30785 1
300 . 1 . 1 32 32 ASP HA H 1 4.913 0.000 . 1 . . . . A 32 ASP HA . 30785 1
301 . 1 . 1 32 32 ASP HB2 H 1 2.868 0.002 . 2 . . . . A 32 ASP HB2 . 30785 1
302 . 1 . 1 32 32 ASP HB3 H 1 2.868 0.002 . 2 . . . . A 32 ASP HB3 . 30785 1
303 . 1 . 1 32 32 ASP CA C 13 53.869 0.000 . 1 . . . . A 32 ASP CA . 30785 1
304 . 1 . 1 32 32 ASP CB C 13 38.787 0.000 . 1 . . . . A 32 ASP CB . 30785 1
305 . 1 . 1 32 32 ASP N N 15 119.992 0.000 . 1 . . . . A 32 ASP N . 30785 1
306 . 1 . 1 33 33 TYR H H 1 7.952 0.003 . 1 . . . . A 33 TYR H . 30785 1
307 . 1 . 1 33 33 TYR HA H 1 5.441 0.001 . 1 . . . . A 33 TYR HA . 30785 1
308 . 1 . 1 33 33 TYR HB2 H 1 2.577 0.002 . 2 . . . . A 33 TYR HB2 . 30785 1
309 . 1 . 1 33 33 TYR HB3 H 1 2.785 0.002 . 2 . . . . A 33 TYR HB3 . 30785 1
310 . 1 . 1 33 33 TYR HD1 H 1 6.922 0.000 . 1 . . . . A 33 TYR HD1 . 30785 1
311 . 1 . 1 33 33 TYR HD2 H 1 6.922 0.000 . 1 . . . . A 33 TYR HD2 . 30785 1
312 . 1 . 1 33 33 TYR HE1 H 1 6.757 0.000 . 1 . . . . A 33 TYR HE1 . 30785 1
313 . 1 . 1 33 33 TYR HE2 H 1 6.757 0.000 . 1 . . . . A 33 TYR HE2 . 30785 1
314 . 1 . 1 33 33 TYR CA C 13 56.207 0.000 . 1 . . . . A 33 TYR CA . 30785 1
315 . 1 . 1 33 33 TYR CB C 13 41.726 0.005 . 1 . . . . A 33 TYR CB . 30785 1
316 . 1 . 1 33 33 TYR CD2 C 13 134.249 0.000 . 1 . . . . A 33 TYR CD2 . 30785 1
317 . 1 . 1 33 33 TYR CE2 C 13 118.190 0.000 . 1 . . . . A 33 TYR CE2 . 30785 1
318 . 1 . 1 33 33 TYR N N 15 116.871 0.000 . 1 . . . . A 33 TYR N . 30785 1
319 . 1 . 1 34 34 CYS H H 1 9.025 0.003 . 1 . . . . A 34 CYS H . 30785 1
320 . 1 . 1 34 34 CYS HA H 1 4.927 0.005 . 1 . . . . A 34 CYS HA . 30785 1
321 . 1 . 1 34 34 CYS HB2 H 1 2.901 0.001 . 1 . . . . A 34 CYS HB2 . 30785 1
322 . 1 . 1 34 34 CYS HB3 H 1 2.420 0.002 . 1 . . . . A 34 CYS HB3 . 30785 1
323 . 1 . 1 34 34 CYS CA C 13 55.744 0.000 . 1 . . . . A 34 CYS CA . 30785 1
324 . 1 . 1 34 34 CYS CB C 13 40.597 0.004 . 1 . . . . A 34 CYS CB . 30785 1
325 . 1 . 1 34 34 CYS N N 15 119.864 0.000 . 1 . . . . A 34 CYS N . 30785 1
326 . 1 . 1 35 35 ALA H H 1 9.613 0.001 . 1 . . . . A 35 ALA H . 30785 1
327 . 1 . 1 35 35 ALA HA H 1 4.409 0.002 . 1 . . . . A 35 ALA HA . 30785 1
328 . 1 . 1 35 35 ALA HB1 H 1 1.281 0.007 . 1 . . . . A 35 ALA HB1 . 30785 1
329 . 1 . 1 35 35 ALA HB2 H 1 1.281 0.007 . 1 . . . . A 35 ALA HB2 . 30785 1
330 . 1 . 1 35 35 ALA HB3 H 1 1.281 0.007 . 1 . . . . A 35 ALA HB3 . 30785 1
331 . 1 . 1 35 35 ALA CA C 13 50.700 0.000 . 1 . . . . A 35 ALA CA . 30785 1
332 . 1 . 1 35 35 ALA CB C 13 19.204 0.000 . 1 . . . . A 35 ALA CB . 30785 1
333 . 1 . 1 35 35 ALA N N 15 128.530 0.000 . 1 . . . . A 35 ALA N . 30785 1
334 . 1 . 1 36 36 TRP H H 1 7.568 0.007 . 1 . . . . A 36 TRP H . 30785 1
335 . 1 . 1 36 36 TRP HA H 1 4.785 0.000 . 1 . . . . A 36 TRP HA . 30785 1
336 . 1 . 1 36 36 TRP HB2 H 1 3.053 0.002 . 1 . . . . A 36 TRP HB2 . 30785 1
337 . 1 . 1 36 36 TRP HB3 H 1 3.425 0.001 . 1 . . . . A 36 TRP HB3 . 30785 1
338 . 1 . 1 36 36 TRP HD1 H 1 7.310 0.001 . 1 . . . . A 36 TRP HD1 . 30785 1
339 . 1 . 1 36 36 TRP HE1 H 1 10.099 0.002 . 1 . . . . A 36 TRP HE1 . 30785 1
340 . 1 . 1 36 36 TRP HE3 H 1 7.665 0.003 . 1 . . . . A 36 TRP HE3 . 30785 1
341 . 1 . 1 36 36 TRP HZ2 H 1 7.403 0.003 . 1 . . . . A 36 TRP HZ2 . 30785 1
342 . 1 . 1 36 36 TRP HZ3 H 1 6.969 0.001 . 1 . . . . A 36 TRP HZ3 . 30785 1
343 . 1 . 1 36 36 TRP HH2 H 1 7.227 0.001 . 1 . . . . A 36 TRP HH2 . 30785 1
344 . 1 . 1 36 36 TRP CA C 13 57.945 0.000 . 1 . . . . A 36 TRP CA . 30785 1
345 . 1 . 1 36 36 TRP CB C 13 29.847 0.002 . 1 . . . . A 36 TRP CB . 30785 1
346 . 1 . 1 36 36 TRP CD1 C 13 128.005 0.000 . 1 . . . . A 36 TRP CD1 . 30785 1
347 . 1 . 1 36 36 TRP CE3 C 13 121.630 0.000 . 1 . . . . A 36 TRP CE3 . 30785 1
348 . 1 . 1 36 36 TRP CZ2 C 13 114.559 0.000 . 1 . . . . A 36 TRP CZ2 . 30785 1
349 . 1 . 1 36 36 TRP CZ3 C 13 121.704 0.000 . 1 . . . . A 36 TRP CZ3 . 30785 1
350 . 1 . 1 36 36 TRP CH2 C 13 124.573 0.000 . 1 . . . . A 36 TRP CH2 . 30785 1
351 . 1 . 1 36 36 TRP N N 15 120.539 0.000 . 1 . . . . A 36 TRP N . 30785 1
352 . 1 . 1 36 36 TRP NE1 N 15 129.616 0.000 . 1 . . . . A 36 TRP NE1 . 30785 1
353 . 1 . 1 37 37 ASP H H 1 8.845 0.001 . 1 . . . . A 37 ASP H . 30785 1
354 . 1 . 1 37 37 ASP HA H 1 4.624 0.000 . 1 . . . . A 37 ASP HA . 30785 1
355 . 1 . 1 37 37 ASP HB2 H 1 2.632 0.000 . 2 . . . . A 37 ASP HB2 . 30785 1
356 . 1 . 1 37 37 ASP HB3 H 1 2.711 0.000 . 2 . . . . A 37 ASP HB3 . 30785 1
357 . 1 . 1 37 37 ASP CA C 13 53.683 0.000 . 1 . . . . A 37 ASP CA . 30785 1
358 . 1 . 1 37 37 ASP CB C 13 39.433 0.004 . 1 . . . . A 37 ASP CB . 30785 1
359 . 1 . 1 37 37 ASP N N 15 122.869 0.000 . 1 . . . . A 37 ASP N . 30785 1
360 . 1 . 1 38 38 GLY H H 1 8.198 0.003 . 1 . . . . A 38 GLY H . 30785 1
361 . 1 . 1 38 38 GLY HA2 H 1 3.965 0.000 . 2 . . . . A 38 GLY HA2 . 30785 1
362 . 1 . 1 38 38 GLY HA3 H 1 3.751 0.001 . 2 . . . . A 38 GLY HA3 . 30785 1
363 . 1 . 1 38 38 GLY CA C 13 45.470 0.000 . 1 . . . . A 38 GLY CA . 30785 1
364 . 1 . 1 38 38 GLY N N 15 109.141 0.000 . 1 . . . . A 38 GLY N . 30785 1
365 . 1 . 1 39 39 THR H H 1 7.966 0.001 . 1 . . . . A 39 THR H . 30785 1
366 . 1 . 1 39 39 THR HA H 1 4.308 0.001 . 1 . . . . A 39 THR HA . 30785 1
367 . 1 . 1 39 39 THR HB H 1 4.203 0.001 . 1 . . . . A 39 THR HB . 30785 1
368 . 1 . 1 39 39 THR HG21 H 1 1.105 0.002 . 1 . . . . A 39 THR HG21 . 30785 1
369 . 1 . 1 39 39 THR HG22 H 1 1.105 0.002 . 1 . . . . A 39 THR HG22 . 30785 1
370 . 1 . 1 39 39 THR HG23 H 1 1.105 0.002 . 1 . . . . A 39 THR HG23 . 30785 1
371 . 1 . 1 39 39 THR CA C 13 61.959 0.000 . 1 . . . . A 39 THR CA . 30785 1
372 . 1 . 1 39 39 THR CB C 13 70.071 0.000 . 1 . . . . A 39 THR CB . 30785 1
373 . 1 . 1 39 39 THR CG2 C 13 21.575 0.000 . 1 . . . . A 39 THR CG2 . 30785 1
374 . 1 . 1 39 39 THR N N 15 112.605 0.000 . 1 . . . . A 39 THR N . 30785 1
375 . 1 . 1 40 40 PHE H H 1 8.085 0.001 . 1 . . . . A 40 PHE H . 30785 1
376 . 1 . 1 40 40 PHE HA H 1 4.660 0.001 . 1 . . . . A 40 PHE HA . 30785 1
377 . 1 . 1 40 40 PHE HB2 H 1 3.075 0.001 . 2 . . . . A 40 PHE HB2 . 30785 1
378 . 1 . 1 40 40 PHE HB3 H 1 2.969 0.002 . 2 . . . . A 40 PHE HB3 . 30785 1
379 . 1 . 1 40 40 PHE HD1 H 1 7.095 0.000 . 1 . . . . A 40 PHE HD1 . 30785 1
380 . 1 . 1 40 40 PHE HD2 H 1 7.095 0.000 . 1 . . . . A 40 PHE HD2 . 30785 1
381 . 1 . 1 40 40 PHE HE1 H 1 7.186 0.000 . 1 . . . . A 40 PHE HE1 . 30785 1
382 . 1 . 1 40 40 PHE HE2 H 1 7.186 0.000 . 1 . . . . A 40 PHE HE2 . 30785 1
383 . 1 . 1 40 40 PHE CA C 13 57.444 0.000 . 1 . . . . A 40 PHE CA . 30785 1
384 . 1 . 1 40 40 PHE CB C 13 40.041 0.004 . 1 . . . . A 40 PHE CB . 30785 1
385 . 1 . 1 40 40 PHE CD1 C 13 132.003 0.000 . 1 . . . . A 40 PHE CD1 . 30785 1
386 . 1 . 1 40 40 PHE CE1 C 13 131.398 0.000 . 1 . . . . A 40 PHE CE1 . 30785 1
387 . 1 . 1 40 40 PHE N N 15 121.268 0.000 . 1 . . . . A 40 PHE N . 30785 1
388 . 1 . 1 41 41 SER H H 1 8.169 0.002 . 1 . . . . A 41 SER H . 30785 1
389 . 1 . 1 41 41 SER HA H 1 4.326 0.003 . 1 . . . . A 41 SER HA . 30785 1
390 . 1 . 1 41 41 SER HB2 H 1 3.752 0.001 . 2 . . . . A 41 SER HB2 . 30785 1
391 . 1 . 1 41 41 SER HB3 H 1 3.752 0.001 . 2 . . . . A 41 SER HB3 . 30785 1
392 . 1 . 1 41 41 SER CA C 13 57.969 0.000 . 1 . . . . A 41 SER CA . 30785 1
393 . 1 . 1 41 41 SER CB C 13 64.165 0.000 . 1 . . . . A 41 SER CB . 30785 1
394 . 1 . 1 41 41 SER N N 15 116.923 0.000 . 1 . . . . A 41 SER N . 30785 1
395 . 1 . 1 42 42 ASP H H 1 8.055 0.002 . 1 . . . . A 42 ASP H . 30785 1
396 . 1 . 1 42 42 ASP HA H 1 4.499 0.003 . 1 . . . . A 42 ASP HA . 30785 1
397 . 1 . 1 42 42 ASP HB2 H 1 2.793 0.001 . 2 . . . . A 42 ASP HB2 . 30785 1
398 . 1 . 1 42 42 ASP HB3 H 1 2.791 0.000 . 2 . . . . A 42 ASP HB3 . 30785 1
399 . 1 . 1 42 42 ASP CA C 13 53.718 0.000 . 1 . . . . A 42 ASP CA . 30785 1
400 . 1 . 1 42 42 ASP CB C 13 39.742 0.000 . 1 . . . . A 42 ASP CB . 30785 1
401 . 1 . 1 42 42 ASP N N 15 124.541 0.000 . 1 . . . . A 42 ASP N . 30785 1
stop_
save_