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 15003
_Assigned_chem_shift_list.ID 1
_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 $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 '3D HNHA' 1 $sample isotropic 15003 1
2 '3D_13C- SEPARATED_NOESY' 1 $sample isotropic 15003 1
3 '3D_15N- SEPARATED_NOESY' 1 $sample isotropic 15003 1
4 '2D 1H-15N HSQC' 1 $sample isotropic 15003 1
5 '3D HNCACB' 1 $sample isotropic 15003 1
6 '3D HNCA' 1 $sample isotropic 15003 1
7 '3D HN(COCA)CB' 1 $sample isotropic 15003 1
8 '3D HCCH-COSY' 1 $sample isotropic 15003 1
9 '3D HCCH-TOCSY' 1 $sample isotropic 15003 1
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $CYANA . . 15003 1
2 $NMRPipe . . 15003 1
3 $SPARKY . . 15003 1
4 $VNMR . . 15003 1
5 $TALOS . . 15003 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_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.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 SER H H 1 8.750 0.020 . 1 . . . . 1 SER H . 15003 1
2 . 1 1 1 1 SER HA H 1 4.525 0.020 . 1 . . . . 1 SER HA . 15003 1
3 . 1 1 1 1 SER HB2 H 1 3.867 0.020 . 1 . . . . 1 SER HB2 . 15003 1
4 . 1 1 1 1 SER HB3 H 1 3.867 0.020 . 1 . . . . 1 SER HB3 . 15003 1
5 . 1 1 1 1 SER CA C 13 58.881 0.400 . 1 . . . . 1 SER CA . 15003 1
6 . 1 1 1 1 SER CB C 13 64.471 0.400 . 1 . . . . 1 SER CB . 15003 1
7 . 1 1 1 1 SER N N 15 115.758 0.400 . 1 . . . . 1 SER N . 15003 1
8 . 1 1 2 2 MET H H 1 8.686 0.020 . 1 . . . . 2 MET H . 15003 1
9 . 1 1 2 2 MET HA H 1 4.575 0.020 . 1 . . . . 2 MET HA . 15003 1
10 . 1 1 2 2 MET HB2 H 1 2.042 0.020 . 2 . . . . 2 MET HB2 . 15003 1
11 . 1 1 2 2 MET HB3 H 1 2.123 0.020 . 2 . . . . 2 MET HB3 . 15003 1
12 . 1 1 2 2 MET HG2 H 1 2.576 0.020 . 2 . . . . 2 MET HG2 . 15003 1
13 . 1 1 2 2 MET HG3 H 1 2.634 0.020 . 2 . . . . 2 MET HG3 . 15003 1
14 . 1 1 2 2 MET CA C 13 56.193 0.400 . 1 . . . . 2 MET CA . 15003 1
15 . 1 1 2 2 MET N N 15 123.057 0.400 . 1 . . . . 2 MET N . 15003 1
16 . 1 1 3 3 VAL H H 1 8.308 0.020 . 1 . . . . 3 VAL H . 15003 1
17 . 1 1 3 3 VAL HA H 1 4.152 0.020 . 1 . . . . 3 VAL HA . 15003 1
18 . 1 1 3 3 VAL HB H 1 2.075 0.020 . 1 . . . . 3 VAL HB . 15003 1
19 . 1 1 3 3 VAL HG11 H 1 0.972 0.020 . 2 . . . . 3 VAL HG1 . 15003 1
20 . 1 1 3 3 VAL HG12 H 1 0.972 0.020 . 2 . . . . 3 VAL HG1 . 15003 1
21 . 1 1 3 3 VAL HG13 H 1 0.972 0.020 . 2 . . . . 3 VAL HG1 . 15003 1
22 . 1 1 3 3 VAL HG21 H 1 0.972 0.020 . 2 . . . . 3 VAL HG2 . 15003 1
23 . 1 1 3 3 VAL HG22 H 1 0.972 0.020 . 2 . . . . 3 VAL HG2 . 15003 1
24 . 1 1 3 3 VAL HG23 H 1 0.972 0.020 . 2 . . . . 3 VAL HG2 . 15003 1
25 . 1 1 3 3 VAL CA C 13 62.752 0.400 . 1 . . . . 3 VAL CA . 15003 1
26 . 1 1 3 3 VAL CB C 13 33.493 0.400 . 1 . . . . 3 VAL CB . 15003 1
27 . 1 1 3 3 VAL CG1 C 13 21.493 0.400 . 1 . . . . 3 VAL CG1 . 15003 1
28 . 1 1 3 3 VAL N N 15 121.985 0.400 . 1 . . . . 3 VAL N . 15003 1
29 . 1 1 4 4 ASN H H 1 8.636 0.020 . 1 . . . . 4 ASN H . 15003 1
30 . 1 1 4 4 ASN HA H 1 4.810 0.020 . 1 . . . . 4 ASN HA . 15003 1
31 . 1 1 4 4 ASN HB2 H 1 2.727 0.020 . 2 . . . . 4 ASN HB2 . 15003 1
32 . 1 1 4 4 ASN HB3 H 1 2.842 0.020 . 2 . . . . 4 ASN HB3 . 15003 1
33 . 1 1 4 4 ASN CA C 13 53.369 0.400 . 1 . . . . 4 ASN CA . 15003 1
34 . 1 1 4 4 ASN CB C 13 39.400 0.400 . 1 . . . . 4 ASN CB . 15003 1
35 . 1 1 4 4 ASN N N 15 123.841 0.400 . 1 . . . . 4 ASN N . 15003 1
36 . 1 1 5 5 THR H H 1 8.183 0.020 . 1 . . . . 5 THR H . 15003 1
37 . 1 1 5 5 THR HA H 1 3.567 0.020 . 1 . . . . 5 THR HA . 15003 1
38 . 1 1 5 5 THR HB H 1 3.694 0.020 . 1 . . . . 5 THR HB . 15003 1
39 . 1 1 5 5 THR HG21 H 1 0.391 0.020 . 1 . . . . 5 THR HG2 . 15003 1
40 . 1 1 5 5 THR HG22 H 1 0.391 0.020 . 1 . . . . 5 THR HG2 . 15003 1
41 . 1 1 5 5 THR HG23 H 1 0.391 0.020 . 1 . . . . 5 THR HG2 . 15003 1
42 . 1 1 5 5 THR CA C 13 62.758 0.400 . 1 . . . . 5 THR CA . 15003 1
43 . 1 1 5 5 THR CB C 13 71.602 0.400 . 1 . . . . 5 THR CB . 15003 1
44 . 1 1 5 5 THR CG2 C 13 20.820 0.400 . 1 . . . . 5 THR CG2 . 15003 1
45 . 1 1 5 5 THR N N 15 112.104 0.400 . 1 . . . . 5 THR N . 15003 1
46 . 1 1 6 6 GLY H H 1 7.864 0.020 . 1 . . . . 6 GLY H . 15003 1
47 . 1 1 6 6 GLY HA2 H 1 3.707 0.020 . 2 . . . . 6 GLY HA2 . 15003 1
48 . 1 1 6 6 GLY HA3 H 1 4.370 0.020 . 2 . . . . 6 GLY HA3 . 15003 1
49 . 1 1 6 6 GLY CA C 13 45.750 0.400 . 1 . . . . 6 GLY CA . 15003 1
50 . 1 1 6 6 GLY N N 15 104.767 0.400 . 1 . . . . 6 GLY N . 15003 1
51 . 1 1 7 7 LEU H H 1 8.014 0.020 . 1 . . . . 7 LEU H . 15003 1
52 . 1 1 7 7 LEU HA H 1 4.351 0.020 . 1 . . . . 7 LEU HA . 15003 1
53 . 1 1 7 7 LEU HB2 H 1 1.284 0.020 . 2 . . . . 7 LEU HB2 . 15003 1
54 . 1 1 7 7 LEU HB3 H 1 1.637 0.020 . 2 . . . . 7 LEU HB3 . 15003 1
55 . 1 1 7 7 LEU HG H 1 1.497 0.020 . 1 . . . . 7 LEU HG . 15003 1
56 . 1 1 7 7 LEU HD11 H 1 0.692 0.020 . 2 . . . . 7 LEU HD1 . 15003 1
57 . 1 1 7 7 LEU HD12 H 1 0.692 0.020 . 2 . . . . 7 LEU HD1 . 15003 1
58 . 1 1 7 7 LEU HD13 H 1 0.692 0.020 . 2 . . . . 7 LEU HD1 . 15003 1
59 . 1 1 7 7 LEU HD21 H 1 0.889 0.020 . 2 . . . . 7 LEU HD2 . 15003 1
60 . 1 1 7 7 LEU HD22 H 1 0.889 0.020 . 2 . . . . 7 LEU HD2 . 15003 1
61 . 1 1 7 7 LEU HD23 H 1 0.889 0.020 . 2 . . . . 7 LEU HD2 . 15003 1
62 . 1 1 7 7 LEU CA C 13 54.126 0.400 . 1 . . . . 7 LEU CA . 15003 1
63 . 1 1 7 7 LEU CB C 13 41.678 0.400 . 1 . . . . 7 LEU CB . 15003 1
64 . 1 1 7 7 LEU CG C 13 27.600 0.400 . 1 . . . . 7 LEU CG . 15003 1
65 . 1 1 7 7 LEU CD1 C 13 25.109 0.400 . 1 . . . . 7 LEU CD1 . 15003 1
66 . 1 1 7 7 LEU N N 15 121.760 0.400 . 1 . . . . 7 LEU N . 15003 1
67 . 1 1 8 8 PRO HA H 1 4.540 0.020 . 1 . . . . 8 PRO HA . 15003 1
68 . 1 1 8 8 PRO HB2 H 1 2.006 0.020 . 2 . . . . 8 PRO HB2 . 15003 1
69 . 1 1 8 8 PRO HB3 H 1 2.386 0.020 . 2 . . . . 8 PRO HB3 . 15003 1
70 . 1 1 8 8 PRO HG2 H 1 1.691 0.020 . 2 . . . . 8 PRO HG2 . 15003 1
71 . 1 1 8 8 PRO HG3 H 1 1.740 0.020 . 2 . . . . 8 PRO HG3 . 15003 1
72 . 1 1 8 8 PRO HD2 H 1 2.849 0.020 . 2 . . . . 8 PRO HD2 . 15003 1
73 . 1 1 8 8 PRO HD3 H 1 3.641 0.020 . 2 . . . . 8 PRO HD3 . 15003 1
74 . 1 1 8 8 PRO CA C 13 62.738 0.400 . 1 . . . . 8 PRO CA . 15003 1
75 . 1 1 8 8 PRO CB C 13 32.451 0.400 . 1 . . . . 8 PRO CB . 15003 1
76 . 1 1 8 8 PRO CG C 13 28.353 0.400 . 1 . . . . 8 PRO CG . 15003 1
77 . 1 1 8 8 PRO CD C 13 50.789 0.400 . 1 . . . . 8 PRO CD . 15003 1
78 . 1 1 9 9 ALA H H 1 8.482 0.020 . 1 . . . . 9 ALA H . 15003 1
79 . 1 1 9 9 ALA HA H 1 4.111 0.020 . 1 . . . . 9 ALA HA . 15003 1
80 . 1 1 9 9 ALA HB1 H 1 1.385 0.020 . 1 . . . . 9 ALA HB . 15003 1
81 . 1 1 9 9 ALA HB2 H 1 1.385 0.020 . 1 . . . . 9 ALA HB . 15003 1
82 . 1 1 9 9 ALA HB3 H 1 1.385 0.020 . 1 . . . . 9 ALA HB . 15003 1
83 . 1 1 9 9 ALA CA C 13 54.869 0.400 . 1 . . . . 9 ALA CA . 15003 1
84 . 1 1 9 9 ALA CB C 13 19.005 0.400 . 1 . . . . 9 ALA CB . 15003 1
85 . 1 1 9 9 ALA N N 15 122.450 0.400 . 1 . . . . 9 ALA N . 15003 1
86 . 1 1 10 10 GLY H H 1 8.715 0.020 . 1 . . . . 10 GLY H . 15003 1
87 . 1 1 10 10 GLY HA2 H 1 3.534 0.020 . 2 . . . . 10 GLY HA2 . 15003 1
88 . 1 1 10 10 GLY HA3 H 1 4.191 0.020 . 2 . . . . 10 GLY HA3 . 15003 1
89 . 1 1 10 10 GLY CA C 13 45.415 0.400 . 1 . . . . 10 GLY CA . 15003 1
90 . 1 1 10 10 GLY N N 15 110.710 0.400 . 1 . . . . 10 GLY N . 15003 1
91 . 1 1 11 11 TRP H H 1 7.608 0.020 . 1 . . . . 11 TRP H . 15003 1
92 . 1 1 11 11 TRP HA H 1 4.861 0.020 . 1 . . . . 11 TRP HA . 15003 1
93 . 1 1 11 11 TRP HB2 H 1 2.989 0.020 . 2 . . . . 11 TRP HB2 . 15003 1
94 . 1 1 11 11 TRP HB3 H 1 3.227 0.020 . 2 . . . . 11 TRP HB3 . 15003 1
95 . 1 1 11 11 TRP HD1 H 1 7.014 0.020 . 1 . . . . 11 TRP HD1 . 15003 1
96 . 1 1 11 11 TRP HE3 H 1 6.996 0.020 . 1 . . . . 11 TRP HE3 . 15003 1
97 . 1 1 11 11 TRP HZ2 H 1 7.288 0.020 . 1 . . . . 11 TRP HZ2 . 15003 1
98 . 1 1 11 11 TRP HZ3 H 1 6.953 0.020 . 1 . . . . 11 TRP HZ3 . 15003 1
99 . 1 1 11 11 TRP HH2 H 1 7.991 0.020 . 1 . . . . 11 TRP HH2 . 15003 1
100 . 1 1 11 11 TRP CA C 13 57.880 0.400 . 1 . . . . 11 TRP CA . 15003 1
101 . 1 1 11 11 TRP CB C 13 32.798 0.400 . 1 . . . . 11 TRP CB . 15003 1
102 . 1 1 11 11 TRP CD1 C 13 127.132 0.400 . 1 . . . . 11 TRP CD1 . 15003 1
103 . 1 1 11 11 TRP CE3 C 13 124.188 0.400 . 1 . . . . 11 TRP CE3 . 15003 1
104 . 1 1 11 11 TRP CZ2 C 13 114.251 0.400 . 1 . . . . 11 TRP CZ2 . 15003 1
105 . 1 1 11 11 TRP CZ3 C 13 122.082 0.400 . 1 . . . . 11 TRP CZ3 . 15003 1
106 . 1 1 11 11 TRP CH2 C 13 121.593 0.400 . 1 . . . . 11 TRP CH2 . 15003 1
107 . 1 1 11 11 TRP N N 15 117.455 0.400 . 1 . . . . 11 TRP N . 15003 1
108 . 1 1 12 12 GLU H H 1 9.513 0.020 . 1 . . . . 12 GLU H . 15003 1
109 . 1 1 12 12 GLU HA H 1 4.795 0.020 . 1 . . . . 12 GLU HA . 15003 1
110 . 1 1 12 12 GLU HB2 H 1 2.020 0.020 . 2 . . . . 12 GLU HB2 . 15003 1
111 . 1 1 12 12 GLU HB3 H 1 2.144 0.020 . 2 . . . . 12 GLU HB3 . 15003 1
112 . 1 1 12 12 GLU CA C 13 54.428 0.400 . 1 . . . . 12 GLU CA . 15003 1
113 . 1 1 12 12 GLU CB C 13 33.648 0.400 . 1 . . . . 12 GLU CB . 15003 1
114 . 1 1 12 12 GLU N N 15 119.257 0.400 . 1 . . . . 12 GLU N . 15003 1
115 . 1 1 13 13 VAL H H 1 8.689 0.020 . 1 . . . . 13 VAL H . 15003 1
116 . 1 1 13 13 VAL HA H 1 4.473 0.020 . 1 . . . . 13 VAL HA . 15003 1
117 . 1 1 13 13 VAL HB H 1 1.914 0.020 . 1 . . . . 13 VAL HB . 15003 1
118 . 1 1 13 13 VAL HG11 H 1 0.693 0.020 . 2 . . . . 13 VAL HG1 . 15003 1
119 . 1 1 13 13 VAL HG12 H 1 0.693 0.020 . 2 . . . . 13 VAL HG1 . 15003 1
120 . 1 1 13 13 VAL HG13 H 1 0.693 0.020 . 2 . . . . 13 VAL HG1 . 15003 1
121 . 1 1 13 13 VAL HG21 H 1 0.974 0.020 . 2 . . . . 13 VAL HG2 . 15003 1
122 . 1 1 13 13 VAL HG22 H 1 0.974 0.020 . 2 . . . . 13 VAL HG2 . 15003 1
123 . 1 1 13 13 VAL HG23 H 1 0.974 0.020 . 2 . . . . 13 VAL HG2 . 15003 1
124 . 1 1 13 13 VAL CA C 13 62.257 0.400 . 1 . . . . 13 VAL CA . 15003 1
125 . 1 1 13 13 VAL CG1 C 13 21.931 0.400 . 1 . . . . 13 VAL CG1 . 15003 1
126 . 1 1 13 13 VAL CG2 C 13 23.097 0.400 . 1 . . . . 13 VAL CG2 . 15003 1
127 . 1 1 13 13 VAL N N 15 121.032 0.400 . 1 . . . . 13 VAL N . 15003 1
128 . 1 1 14 14 ARG H H 1 8.607 0.020 . 1 . . . . 14 ARG H . 15003 1
129 . 1 1 14 14 ARG HA H 1 4.500 0.020 . 1 . . . . 14 ARG HA . 15003 1
130 . 1 1 14 14 ARG HB2 H 1 0.010 0.020 . 2 . . . . 14 ARG HB2 . 15003 1
131 . 1 1 14 14 ARG HB3 H 1 1.312 0.020 . 2 . . . . 14 ARG HB3 . 15003 1
132 . 1 1 14 14 ARG HG2 H 1 1.148 0.020 . 2 . . . . 14 ARG HG2 . 15003 1
133 . 1 1 14 14 ARG HG3 H 1 1.317 0.020 . 2 . . . . 14 ARG HG3 . 15003 1
134 . 1 1 14 14 ARG HD2 H 1 2.654 0.020 . 2 . . . . 14 ARG HD2 . 15003 1
135 . 1 1 14 14 ARG HD3 H 1 2.932 0.020 . 2 . . . . 14 ARG HD3 . 15003 1
136 . 1 1 14 14 ARG CA C 13 54.260 0.400 . 1 . . . . 14 ARG CA . 15003 1
137 . 1 1 14 14 ARG CB C 13 34.742 0.400 . 1 . . . . 14 ARG CB . 15003 1
138 . 1 1 14 14 ARG CG C 13 28.533 0.400 . 1 . . . . 14 ARG CG . 15003 1
139 . 1 1 14 14 ARG CD C 13 43.784 0.400 . 1 . . . . 14 ARG CD . 15003 1
140 . 1 1 14 14 ARG N N 15 127.340 0.400 . 1 . . . . 14 ARG N . 15003 1
141 . 1 1 15 15 HIS H H 1 8.623 0.020 . 1 . . . . 15 HIS H . 15003 1
142 . 1 1 15 15 HIS HA H 1 4.870 0.020 . 1 . . . . 15 HIS HA . 15003 1
143 . 1 1 15 15 HIS HB2 H 1 3.024 0.020 . 2 . . . . 15 HIS HB2 . 15003 1
144 . 1 1 15 15 HIS HB3 H 1 3.131 0.020 . 2 . . . . 15 HIS HB3 . 15003 1
145 . 1 1 15 15 HIS HD2 H 1 7.226 0.020 . 1 . . . . 15 HIS HD2 . 15003 1
146 . 1 1 15 15 HIS HE1 H 1 8.470 0.020 . 1 . . . . 15 HIS HE1 . 15003 1
147 . 1 1 15 15 HIS CA C 13 55.873 0.400 . 1 . . . . 15 HIS CA . 15003 1
148 . 1 1 15 15 HIS CD2 C 13 119.851 0.400 . 1 . . . . 15 HIS CD2 . 15003 1
149 . 1 1 15 15 HIS CE1 C 13 135.990 0.400 . 1 . . . . 15 HIS CE1 . 15003 1
150 . 1 1 15 15 HIS N N 15 116.340 0.400 . 1 . . . . 15 HIS N . 15003 1
151 . 1 1 16 16 SER H H 1 9.014 0.020 . 1 . . . . 16 SER H . 15003 1
152 . 1 1 16 16 SER HA H 1 4.739 0.020 . 1 . . . . 16 SER HA . 15003 1
153 . 1 1 16 16 SER HB2 H 1 4.159 0.020 . 1 . . . . 16 SER HB2 . 15003 1
154 . 1 1 16 16 SER HB3 H 1 4.159 0.020 . 1 . . . . 16 SER HB3 . 15003 1
155 . 1 1 16 16 SER CA C 13 57.666 0.400 . 1 . . . . 16 SER CA . 15003 1
156 . 1 1 16 16 SER CB C 13 64.930 0.400 . 1 . . . . 16 SER CB . 15003 1
157 . 1 1 16 16 SER N N 15 120.581 0.400 . 1 . . . . 16 SER N . 15003 1
158 . 1 1 17 17 ASN H H 1 9.098 0.020 . 1 . . . . 17 ASN H . 15003 1
159 . 1 1 17 17 ASN HA H 1 4.725 0.020 . 1 . . . . 17 ASN HA . 15003 1
160 . 1 1 17 17 ASN HB2 H 1 2.920 0.020 . 1 . . . . 17 ASN HB2 . 15003 1
161 . 1 1 17 17 ASN HB3 H 1 2.920 0.020 . 1 . . . . 17 ASN HB3 . 15003 1
162 . 1 1 17 17 ASN CA C 13 55.370 0.400 . 1 . . . . 17 ASN CA . 15003 1
163 . 1 1 17 17 ASN CB C 13 38.788 0.400 . 1 . . . . 17 ASN CB . 15003 1
164 . 1 1 17 17 ASN N N 15 125.328 0.400 . 1 . . . . 17 ASN N . 15003 1
165 . 1 1 18 18 SER H H 1 8.487 0.020 . 1 . . . . 18 SER H . 15003 1
166 . 1 1 18 18 SER HA H 1 4.376 0.020 . 1 . . . . 18 SER HA . 15003 1
167 . 1 1 18 18 SER HB2 H 1 3.882 0.020 . 1 . . . . 18 SER HB2 . 15003 1
168 . 1 1 18 18 SER HB3 H 1 3.882 0.020 . 1 . . . . 18 SER HB3 . 15003 1
169 . 1 1 18 18 SER CA C 13 60.120 0.400 . 1 . . . . 18 SER CA . 15003 1
170 . 1 1 18 18 SER CB C 13 63.360 0.400 . 1 . . . . 18 SER CB . 15003 1
171 . 1 1 18 18 SER N N 15 114.650 0.400 . 1 . . . . 18 SER N . 15003 1
172 . 1 1 19 19 LYS H H 1 7.957 0.020 . 1 . . . . 19 LYS H . 15003 1
173 . 1 1 19 19 LYS HA H 1 4.272 0.020 . 1 . . . . 19 LYS HA . 15003 1
174 . 1 1 19 19 LYS HB2 H 1 1.654 0.020 . 2 . . . . 19 LYS HB2 . 15003 1
175 . 1 1 19 19 LYS HB3 H 1 1.817 0.020 . 2 . . . . 19 LYS HB3 . 15003 1
176 . 1 1 19 19 LYS HG2 H 1 1.325 0.020 . 2 . . . . 19 LYS HG2 . 15003 1
177 . 1 1 19 19 LYS HE2 H 1 1.598 0.020 . 2 . . . . 19 LYS HE2 . 15003 1
178 . 1 1 19 19 LYS HE3 H 1 1.784 0.020 . 2 . . . . 19 LYS HE3 . 15003 1
179 . 1 1 19 19 LYS CB C 13 33.279 0.400 . 1 . . . . 19 LYS CB . 15003 1
180 . 1 1 19 19 LYS CE C 13 42.178 0.400 . 1 . . . . 19 LYS CE . 15003 1
181 . 1 1 19 19 LYS N N 15 118.980 0.400 . 1 . . . . 19 LYS N . 15003 1
182 . 1 1 20 20 ASN H H 1 8.040 0.020 . 1 . . . . 20 ASN H . 15003 1
183 . 1 1 20 20 ASN HA H 1 4.587 0.020 . 1 . . . . 20 ASN HA . 15003 1
184 . 1 1 20 20 ASN HB2 H 1 2.642 0.020 . 2 . . . . 20 ASN HB2 . 15003 1
185 . 1 1 20 20 ASN HB3 H 1 3.248 0.020 . 2 . . . . 20 ASN HB3 . 15003 1
186 . 1 1 20 20 ASN CA C 13 54.057 0.400 . 1 . . . . 20 ASN CA . 15003 1
187 . 1 1 20 20 ASN CB C 13 38.156 0.400 . 1 . . . . 20 ASN CB . 15003 1
188 . 1 1 20 20 ASN N N 15 117.020 0.400 . 1 . . . . 20 ASN N . 15003 1
189 . 1 1 21 21 LEU H H 1 7.500 0.020 . 1 . . . . 21 LEU H . 15003 1
190 . 1 1 21 21 LEU HA H 1 4.928 0.020 . 1 . . . . 21 LEU HA . 15003 1
191 . 1 1 21 21 LEU HB2 H 1 1.656 0.020 . 2 . . . . 21 LEU HB2 . 15003 1
192 . 1 1 21 21 LEU HB3 H 1 1.789 0.020 . 2 . . . . 21 LEU HB3 . 15003 1
193 . 1 1 21 21 LEU HG H 1 1.712 0.020 . 1 . . . . 21 LEU HG . 15003 1
194 . 1 1 21 21 LEU HD11 H 1 0.779 0.020 . 2 . . . . 21 LEU HD1 . 15003 1
195 . 1 1 21 21 LEU HD12 H 1 0.779 0.020 . 2 . . . . 21 LEU HD1 . 15003 1
196 . 1 1 21 21 LEU HD13 H 1 0.779 0.020 . 2 . . . . 21 LEU HD1 . 15003 1
197 . 1 1 21 21 LEU HD21 H 1 1.003 0.020 . 2 . . . . 21 LEU HD2 . 15003 1
198 . 1 1 21 21 LEU HD22 H 1 1.003 0.020 . 2 . . . . 21 LEU HD2 . 15003 1
199 . 1 1 21 21 LEU HD23 H 1 1.003 0.020 . 2 . . . . 21 LEU HD2 . 15003 1
200 . 1 1 21 21 LEU CA C 13 53.049 0.400 . 1 . . . . 21 LEU CA . 15003 1
201 . 1 1 21 21 LEU CB C 13 46.413 0.400 . 1 . . . . 21 LEU CB . 15003 1
202 . 1 1 21 21 LEU CD1 C 13 26.056 0.400 . 1 . . . . 21 LEU CD1 . 15003 1
203 . 1 1 21 21 LEU N N 15 119.126 0.400 . 1 . . . . 21 LEU N . 15003 1
204 . 1 1 22 22 PRO HA H 1 5.175 0.020 . 1 . . . . 22 PRO HA . 15003 1
205 . 1 1 22 22 PRO HB2 H 1 1.524 0.020 . 2 . . . . 22 PRO HB2 . 15003 1
206 . 1 1 22 22 PRO HB3 H 1 1.967 0.020 . 2 . . . . 22 PRO HB3 . 15003 1
207 . 1 1 22 22 PRO HG2 H 1 2.032 0.020 . 2 . . . . 22 PRO HG2 . 15003 1
208 . 1 1 22 22 PRO HG3 H 1 2.121 0.020 . 2 . . . . 22 PRO HG3 . 15003 1
209 . 1 1 22 22 PRO HD2 H 1 3.837 0.020 . 2 . . . . 22 PRO HD2 . 15003 1
210 . 1 1 22 22 PRO HD3 H 1 3.931 0.020 . 2 . . . . 22 PRO HD3 . 15003 1
211 . 1 1 22 22 PRO CA C 13 62.688 0.400 . 1 . . . . 22 PRO CA . 15003 1
212 . 1 1 22 22 PRO CB C 13 33.365 0.400 . 1 . . . . 22 PRO CB . 15003 1
213 . 1 1 22 22 PRO CD C 13 51.212 0.400 . 1 . . . . 22 PRO CD . 15003 1
214 . 1 1 23 23 TYR H H 1 8.401 0.020 . 1 . . . . 23 TYR H . 15003 1
215 . 1 1 23 23 TYR HA H 1 4.271 0.020 . 1 . . . . 23 TYR HA . 15003 1
216 . 1 1 23 23 TYR HB2 H 1 2.317 0.020 . 1 . . . . 23 TYR HB2 . 15003 1
217 . 1 1 23 23 TYR HB3 H 1 2.317 0.020 . 1 . . . . 23 TYR HB3 . 15003 1
218 . 1 1 23 23 TYR HD1 H 1 6.650 0.020 . 1 . . . . 23 TYR HD1 . 15003 1
219 . 1 1 23 23 TYR HD2 H 1 6.650 0.020 . 1 . . . . 23 TYR HD2 . 15003 1
220 . 1 1 23 23 TYR HE1 H 1 6.268 0.020 . 1 . . . . 23 TYR HE1 . 15003 1
221 . 1 1 23 23 TYR HE2 H 1 6.268 0.020 . 1 . . . . 23 TYR HE2 . 15003 1
222 . 1 1 23 23 TYR CB C 13 39.418 0.400 . 1 . . . . 23 TYR CB . 15003 1
223 . 1 1 23 23 TYR CD1 C 13 133.823 0.400 . 1 . . . . 23 TYR CD1 . 15003 1
224 . 1 1 23 23 TYR CE1 C 13 117.023 0.400 . 1 . . . . 23 TYR CE1 . 15003 1
225 . 1 1 23 23 TYR N N 15 115.563 0.400 . 1 . . . . 23 TYR N . 15003 1
226 . 1 1 24 24 TYR H H 1 8.763 0.020 . 1 . . . . 24 TYR H . 15003 1
227 . 1 1 24 24 TYR HA H 1 5.283 0.020 . 1 . . . . 24 TYR HA . 15003 1
228 . 1 1 24 24 TYR HB2 H 1 2.664 0.020 . 2 . . . . 24 TYR HB2 . 15003 1
229 . 1 1 24 24 TYR HB3 H 1 2.888 0.020 . 2 . . . . 24 TYR HB3 . 15003 1
230 . 1 1 24 24 TYR HD1 H 1 6.726 0.020 . 1 . . . . 24 TYR HD1 . 15003 1
231 . 1 1 24 24 TYR HD2 H 1 6.726 0.020 . 1 . . . . 24 TYR HD2 . 15003 1
232 . 1 1 24 24 TYR HE1 H 1 6.667 0.020 . 1 . . . . 24 TYR HE1 . 15003 1
233 . 1 1 24 24 TYR HE2 H 1 6.667 0.020 . 1 . . . . 24 TYR HE2 . 15003 1
234 . 1 1 24 24 TYR CA C 13 57.103 0.400 . 1 . . . . 24 TYR CA . 15003 1
235 . 1 1 24 24 TYR CD1 C 13 133.517 0.400 . 1 . . . . 24 TYR CD1 . 15003 1
236 . 1 1 24 24 TYR CE1 C 13 117.227 0.400 . 1 . . . . 24 TYR CE1 . 15003 1
237 . 1 1 24 24 TYR N N 15 118.388 0.400 . 1 . . . . 24 TYR N . 15003 1
238 . 1 1 25 25 PHE H H 1 9.507 0.020 . 1 . . . . 25 PHE H . 15003 1
239 . 1 1 25 25 PHE HA H 1 5.844 0.020 . 1 . . . . 25 PHE HA . 15003 1
240 . 1 1 25 25 PHE HB2 H 1 2.436 0.020 . 2 . . . . 25 PHE HB2 . 15003 1
241 . 1 1 25 25 PHE HB3 H 1 2.827 0.020 . 2 . . . . 25 PHE HB3 . 15003 1
242 . 1 1 25 25 PHE HD1 H 1 7.116 0.020 . 1 . . . . 25 PHE HD1 . 15003 1
243 . 1 1 25 25 PHE HD2 H 1 7.116 0.020 . 1 . . . . 25 PHE HD2 . 15003 1
244 . 1 1 25 25 PHE HE1 H 1 6.766 0.020 . 1 . . . . 25 PHE HE1 . 15003 1
245 . 1 1 25 25 PHE HE2 H 1 6.766 0.020 . 1 . . . . 25 PHE HE2 . 15003 1
246 . 1 1 25 25 PHE HZ H 1 8.555 0.020 . 1 . . . . 25 PHE HZ . 15003 1
247 . 1 1 25 25 PHE CA C 13 56.405 0.400 . 1 . . . . 25 PHE CA . 15003 1
248 . 1 1 25 25 PHE CB C 13 45.960 0.400 . 1 . . . . 25 PHE CB . 15003 1
249 . 1 1 25 25 PHE CD1 C 13 131.366 0.400 . 1 . . . . 25 PHE CD1 . 15003 1
250 . 1 1 25 25 PHE CE1 C 13 117.895 0.400 . 1 . . . . 25 PHE CE1 . 15003 1
251 . 1 1 25 25 PHE CZ C 13 135.707 0.400 . 1 . . . . 25 PHE CZ . 15003 1
252 . 1 1 25 25 PHE N N 15 124.942 0.400 . 1 . . . . 25 PHE N . 15003 1
253 . 1 1 26 26 ASN H H 1 7.519 0.020 . 1 . . . . 26 ASN H . 15003 1
254 . 1 1 26 26 ASN HA H 1 4.746 0.020 . 1 . . . . 26 ASN HA . 15003 1
255 . 1 1 26 26 ASN HB2 H 1 2.111 0.020 . 2 . . . . 26 ASN HB2 . 15003 1
256 . 1 1 26 26 ASN HB3 H 1 2.324 0.020 . 2 . . . . 26 ASN HB3 . 15003 1
257 . 1 1 26 26 ASN CA C 13 48.571 0.400 . 1 . . . . 26 ASN CA . 15003 1
258 . 1 1 26 26 ASN CB C 13 39.183 0.400 . 1 . . . . 26 ASN CB . 15003 1
259 . 1 1 26 26 ASN N N 15 127.659 0.400 . 1 . . . . 26 ASN N . 15003 1
260 . 1 1 27 27 PRO HA H 1 3.745 0.020 . 1 . . . . 27 PRO HA . 15003 1
261 . 1 1 27 27 PRO HB2 H 1 1.868 0.020 . 2 . . . . 27 PRO HB2 . 15003 1
262 . 1 1 27 27 PRO HB3 H 1 2.288 0.020 . 2 . . . . 27 PRO HB3 . 15003 1
263 . 1 1 27 27 PRO HG2 H 1 1.844 0.020 . 2 . . . . 27 PRO HG2 . 15003 1
264 . 1 1 27 27 PRO HG3 H 1 1.958 0.020 . 2 . . . . 27 PRO HG3 . 15003 1
265 . 1 1 27 27 PRO HD2 H 1 3.426 0.020 . 2 . . . . 27 PRO HD2 . 15003 1
266 . 1 1 27 27 PRO HD3 H 1 3.880 0.020 . 2 . . . . 27 PRO HD3 . 15003 1
267 . 1 1 27 27 PRO CA C 13 64.854 0.400 . 1 . . . . 27 PRO CA . 15003 1
268 . 1 1 27 27 PRO CB C 13 32.825 0.400 . 1 . . . . 27 PRO CB . 15003 1
269 . 1 1 27 27 PRO CD C 13 51.176 0.400 . 1 . . . . 27 PRO CD . 15003 1
270 . 1 1 28 28 ALA H H 1 7.872 0.020 . 1 . . . . 28 ALA H . 15003 1
271 . 1 1 28 28 ALA HA H 1 4.089 0.020 . 1 . . . . 28 ALA HA . 15003 1
272 . 1 1 28 28 ALA HB1 H 1 1.342 0.020 . 1 . . . . 28 ALA HB . 15003 1
273 . 1 1 28 28 ALA HB2 H 1 1.342 0.020 . 1 . . . . 28 ALA HB . 15003 1
274 . 1 1 28 28 ALA HB3 H 1 1.342 0.020 . 1 . . . . 28 ALA HB . 15003 1
275 . 1 1 28 28 ALA CA C 13 55.136 0.400 . 1 . . . . 28 ALA CA . 15003 1
276 . 1 1 28 28 ALA N N 15 118.815 0.400 . 1 . . . . 28 ALA N . 15003 1
277 . 1 1 29 29 THR H H 1 7.164 0.020 . 1 . . . . 29 THR H . 15003 1
278 . 1 1 29 29 THR HA H 1 4.279 0.020 . 1 . . . . 29 THR HA . 15003 1
279 . 1 1 29 29 THR HB H 1 4.224 0.020 . 1 . . . . 29 THR HB . 15003 1
280 . 1 1 29 29 THR HG21 H 1 0.997 0.020 . 1 . . . . 29 THR HG2 . 15003 1
281 . 1 1 29 29 THR HG22 H 1 0.997 0.020 . 1 . . . . 29 THR HG2 . 15003 1
282 . 1 1 29 29 THR HG23 H 1 0.997 0.020 . 1 . . . . 29 THR HG2 . 15003 1
283 . 1 1 29 29 THR CB C 13 70.326 0.400 . 1 . . . . 29 THR CB . 15003 1
284 . 1 1 29 29 THR N N 15 106.145 0.400 . 1 . . . . 29 THR N . 15003 1
285 . 1 1 30 30 ARG H H 1 8.274 0.020 . 1 . . . . 30 ARG H . 15003 1
286 . 1 1 30 30 ARG HA H 1 3.320 0.020 . 1 . . . . 30 ARG HA . 15003 1
287 . 1 1 30 30 ARG HB2 H 1 2.121 0.020 . 1 . . . . 30 ARG HB2 . 15003 1
288 . 1 1 30 30 ARG HB3 H 1 2.121 0.020 . 1 . . . . 30 ARG HB3 . 15003 1
289 . 1 1 30 30 ARG HG2 H 1 1.540 0.020 . 1 . . . . 30 ARG HG2 . 15003 1
290 . 1 1 30 30 ARG HG3 H 1 1.540 0.020 . 1 . . . . 30 ARG HG3 . 15003 1
291 . 1 1 30 30 ARG CA C 13 58.285 0.400 . 1 . . . . 30 ARG CA . 15003 1
292 . 1 1 30 30 ARG CB C 13 26.890 0.400 . 1 . . . . 30 ARG CB . 15003 1
293 . 1 1 30 30 ARG CG C 13 28.597 0.400 . 1 . . . . 30 ARG CG . 15003 1
294 . 1 1 30 30 ARG N N 15 117.407 0.400 . 1 . . . . 30 ARG N . 15003 1
295 . 1 1 31 31 GLU H H 1 7.235 0.020 . 1 . . . . 31 GLU H . 15003 1
296 . 1 1 31 31 GLU HA H 1 4.311 0.020 . 1 . . . . 31 GLU HA . 15003 1
297 . 1 1 31 31 GLU HB2 H 1 1.743 0.020 . 2 . . . . 31 GLU HB2 . 15003 1
298 . 1 1 31 31 GLU HB3 H 1 1.840 0.020 . 2 . . . . 31 GLU HB3 . 15003 1
299 . 1 1 31 31 GLU HG2 H 1 2.259 0.020 . 2 . . . . 31 GLU HG2 . 15003 1
300 . 1 1 31 31 GLU HG3 H 1 2.457 0.020 . 2 . . . . 31 GLU HG3 . 15003 1
301 . 1 1 31 31 GLU CA C 13 57.170 0.400 . 1 . . . . 31 GLU CA . 15003 1
302 . 1 1 31 31 GLU CB C 13 31.860 0.400 . 1 . . . . 31 GLU CB . 15003 1
303 . 1 1 31 31 GLU CG C 13 36.731 0.400 . 1 . . . . 31 GLU CG . 15003 1
304 . 1 1 31 31 GLU N N 15 120.195 0.400 . 1 . . . . 31 GLU N . 15003 1
305 . 1 1 32 32 SER H H 1 8.539 0.020 . 1 . . . . 32 SER H . 15003 1
306 . 1 1 32 32 SER HA H 1 5.851 0.020 . 1 . . . . 32 SER HA . 15003 1
307 . 1 1 32 32 SER HB2 H 1 3.659 0.020 . 1 . . . . 32 SER HB2 . 15003 1
308 . 1 1 32 32 SER HB3 H 1 3.659 0.020 . 1 . . . . 32 SER HB3 . 15003 1
309 . 1 1 32 32 SER CB C 13 66.212 0.400 . 1 . . . . 32 SER CB . 15003 1
310 . 1 1 32 32 SER N N 15 118.014 0.400 . 1 . . . . 32 SER N . 15003 1
311 . 1 1 33 33 ARG H H 1 9.671 0.020 . 1 . . . . 33 ARG H . 15003 1
312 . 1 1 33 33 ARG HA H 1 4.809 0.020 . 1 . . . . 33 ARG HA . 15003 1
313 . 1 1 33 33 ARG HB2 H 1 1.784 0.020 . 2 . . . . 33 ARG HB2 . 15003 1
314 . 1 1 33 33 ARG HB3 H 1 2.466 0.020 . 2 . . . . 33 ARG HB3 . 15003 1
315 . 1 1 33 33 ARG HG2 H 1 1.704 0.020 . 2 . . . . 33 ARG HG2 . 15003 1
316 . 1 1 33 33 ARG HG3 H 1 1.819 0.020 . 2 . . . . 33 ARG HG3 . 15003 1
317 . 1 1 33 33 ARG HD2 H 1 2.595 0.020 . 2 . . . . 33 ARG HD2 . 15003 1
318 . 1 1 33 33 ARG HD3 H 1 3.241 0.020 . 2 . . . . 33 ARG HD3 . 15003 1
319 . 1 1 33 33 ARG CA C 13 55.070 0.400 . 1 . . . . 33 ARG CA . 15003 1
320 . 1 1 33 33 ARG CB C 13 36.918 0.400 . 1 . . . . 33 ARG CB . 15003 1
321 . 1 1 33 33 ARG CG C 13 27.724 0.400 . 1 . . . . 33 ARG CG . 15003 1
322 . 1 1 33 33 ARG CD C 13 45.328 0.400 . 1 . . . . 33 ARG CD . 15003 1
323 . 1 1 33 33 ARG N N 15 122.211 0.400 . 1 . . . . 33 ARG N . 15003 1
324 . 1 1 34 34 TRP H H 1 8.928 0.020 . 1 . . . . 34 TRP H . 15003 1
325 . 1 1 34 34 TRP HA H 1 4.929 0.020 . 1 . . . . 34 TRP HA . 15003 1
326 . 1 1 34 34 TRP HB2 H 1 3.131 0.020 . 2 . . . . 34 TRP HB2 . 15003 1
327 . 1 1 34 34 TRP HB3 H 1 3.690 0.020 . 2 . . . . 34 TRP HB3 . 15003 1
328 . 1 1 34 34 TRP HD1 H 1 7.379 0.020 . 1 . . . . 34 TRP HD1 . 15003 1
329 . 1 1 34 34 TRP HE3 H 1 6.862 0.020 . 1 . . . . 34 TRP HE3 . 15003 1
330 . 1 1 34 34 TRP HZ2 H 1 7.488 0.020 . 1 . . . . 34 TRP HZ2 . 15003 1
331 . 1 1 34 34 TRP HZ3 H 1 6.867 0.020 . 1 . . . . 34 TRP HZ3 . 15003 1
332 . 1 1 34 34 TRP HH2 H 1 7.382 0.020 . 1 . . . . 34 TRP HH2 . 15003 1
333 . 1 1 34 34 TRP CA C 13 58.666 0.400 . 1 . . . . 34 TRP CA . 15003 1
334 . 1 1 34 34 TRP CD1 C 13 127.714 0.400 . 1 . . . . 34 TRP CD1 . 15003 1
335 . 1 1 34 34 TRP CE3 C 13 124.729 0.400 . 1 . . . . 34 TRP CE3 . 15003 1
336 . 1 1 34 34 TRP CZ2 C 13 114.873 0.400 . 1 . . . . 34 TRP CZ2 . 15003 1
337 . 1 1 34 34 TRP CZ3 C 13 122.048 0.400 . 1 . . . . 34 TRP CZ3 . 15003 1
338 . 1 1 34 34 TRP CH2 C 13 119.697 0.400 . 1 . . . . 34 TRP CH2 . 15003 1
339 . 1 1 34 34 TRP N N 15 119.813 0.400 . 1 . . . . 34 TRP N . 15003 1
340 . 1 1 35 35 GLU H H 1 7.652 0.020 . 1 . . . . 35 GLU H . 15003 1
341 . 1 1 35 35 GLU HA H 1 5.061 0.020 . 1 . . . . 35 GLU HA . 15003 1
342 . 1 1 35 35 GLU HB2 H 1 1.816 0.020 . 2 . . . . 35 GLU HB2 . 15003 1
343 . 1 1 35 35 GLU HB3 H 1 2.078 0.020 . 2 . . . . 35 GLU HB3 . 15003 1
344 . 1 1 35 35 GLU CA C 13 53.038 0.400 . 1 . . . . 35 GLU CA . 15003 1
345 . 1 1 35 35 GLU CB C 13 29.941 0.400 . 1 . . . . 35 GLU CB . 15003 1
346 . 1 1 35 35 GLU N N 15 117.362 0.400 . 1 . . . . 35 GLU N . 15003 1
347 . 1 1 37 37 PRO HA H 1 3.890 0.020 . 1 . . . . 37 PRO HA . 15003 1
348 . 1 1 37 37 PRO HB2 H 1 0.905 0.020 . 2 . . . . 37 PRO HB2 . 15003 1
349 . 1 1 37 37 PRO HB3 H 1 1.222 0.020 . 2 . . . . 37 PRO HB3 . 15003 1
350 . 1 1 37 37 PRO HG2 H 1 -0.268 0.020 . 2 . . . . 37 PRO HG2 . 15003 1
351 . 1 1 37 37 PRO HG3 H 1 0.430 0.020 . 2 . . . . 37 PRO HG3 . 15003 1
352 . 1 1 37 37 PRO HD2 H 1 2.229 0.020 . 2 . . . . 37 PRO HD2 . 15003 1
353 . 1 1 37 37 PRO HD3 H 1 2.665 0.020 . 2 . . . . 37 PRO HD3 . 15003 1
354 . 1 1 37 37 PRO CA C 13 61.855 0.400 . 1 . . . . 37 PRO CA . 15003 1
355 . 1 1 37 37 PRO CB C 13 32.736 0.400 . 1 . . . . 37 PRO CB . 15003 1
356 . 1 1 37 37 PRO CG C 13 26.405 0.400 . 1 . . . . 37 PRO CG . 15003 1
357 . 1 1 37 37 PRO CD C 13 49.969 0.400 . 1 . . . . 37 PRO CD . 15003 1
358 . 1 1 38 38 ALA H H 1 8.559 0.020 . 1 . . . . 38 ALA H . 15003 1
359 . 1 1 38 38 ALA HA H 1 3.964 0.020 . 1 . . . . 38 ALA HA . 15003 1
360 . 1 1 38 38 ALA HB1 H 1 1.272 0.020 . 1 . . . . 38 ALA HB . 15003 1
361 . 1 1 38 38 ALA HB2 H 1 1.272 0.020 . 1 . . . . 38 ALA HB . 15003 1
362 . 1 1 38 38 ALA HB3 H 1 1.272 0.020 . 1 . . . . 38 ALA HB . 15003 1
363 . 1 1 38 38 ALA CA C 13 54.060 0.400 . 1 . . . . 38 ALA CA . 15003 1
364 . 1 1 38 38 ALA CB C 13 18.867 0.400 . 1 . . . . 38 ALA CB . 15003 1
365 . 1 1 38 38 ALA N N 15 124.498 0.400 . 1 . . . . 38 ALA N . 15003 1
366 . 1 1 39 39 ASP H H 1 8.763 0.020 . 1 . . . . 39 ASP H . 15003 1
367 . 1 1 39 39 ASP HA H 1 4.280 0.020 . 1 . . . . 39 ASP HA . 15003 1
368 . 1 1 39 39 ASP HB2 H 1 2.972 0.020 . 1 . . . . 39 ASP HB2 . 15003 1
369 . 1 1 39 39 ASP HB3 H 1 2.972 0.020 . 1 . . . . 39 ASP HB3 . 15003 1
370 . 1 1 39 39 ASP CA C 13 54.975 0.400 . 1 . . . . 39 ASP CA . 15003 1
371 . 1 1 39 39 ASP CB C 13 37.499 0.400 . 1 . . . . 39 ASP CB . 15003 1
372 . 1 1 39 39 ASP N N 15 112.519 0.400 . 1 . . . . 39 ASP N . 15003 1
373 . 1 1 40 40 THR H H 1 7.368 0.020 . 1 . . . . 40 THR H . 15003 1
374 . 1 1 40 40 THR HA H 1 3.974 0.020 . 1 . . . . 40 THR HA . 15003 1
375 . 1 1 40 40 THR HB H 1 3.632 0.020 . 1 . . . . 40 THR HB . 15003 1
376 . 1 1 40 40 THR HG21 H 1 0.781 0.020 . 1 . . . . 40 THR HG2 . 15003 1
377 . 1 1 40 40 THR HG22 H 1 0.781 0.020 . 1 . . . . 40 THR HG2 . 15003 1
378 . 1 1 40 40 THR HG23 H 1 0.781 0.020 . 1 . . . . 40 THR HG2 . 15003 1
379 . 1 1 40 40 THR CA C 13 65.074 0.400 . 1 . . . . 40 THR CA . 15003 1
380 . 1 1 40 40 THR CB C 13 70.228 0.400 . 1 . . . . 40 THR CB . 15003 1
381 . 1 1 40 40 THR CG2 C 13 23.489 0.400 . 1 . . . . 40 THR CG2 . 15003 1
382 . 1 1 40 40 THR N N 15 117.334 0.400 . 1 . . . . 40 THR N . 15003 1
383 . 1 1 41 41 ASP H H 1 8.775 0.020 . 1 . . . . 41 ASP H . 15003 1
384 . 1 1 41 41 ASP HA H 1 4.680 0.020 . 1 . . . . 41 ASP HA . 15003 1
385 . 1 1 41 41 ASP HB2 H 1 2.777 0.020 . 2 . . . . 41 ASP HB2 . 15003 1
386 . 1 1 41 41 ASP HB3 H 1 3.045 0.020 . 2 . . . . 41 ASP HB3 . 15003 1
387 . 1 1 41 41 ASP CA C 13 53.106 0.400 . 1 . . . . 41 ASP CA . 15003 1
388 . 1 1 41 41 ASP CB C 13 38.956 0.400 . 1 . . . . 41 ASP CB . 15003 1
389 . 1 1 41 41 ASP N N 15 125.893 0.400 . 1 . . . . 41 ASP N . 15003 1
390 . 1 1 42 42 MET H H 1 8.573 0.020 . 1 . . . . 42 MET H . 15003 1
391 . 1 1 42 42 MET HA H 1 4.237 0.020 . 1 . . . . 42 MET HA . 15003 1
392 . 1 1 42 42 MET HB2 H 1 2.040 0.020 . 1 . . . . 42 MET HB2 . 15003 1
393 . 1 1 42 42 MET HB3 H 1 2.040 0.020 . 1 . . . . 42 MET HB3 . 15003 1
394 . 1 1 42 42 MET HG2 H 1 2.529 0.020 . 2 . . . . 42 MET HG2 . 15003 1
395 . 1 1 42 42 MET HG3 H 1 2.739 0.020 . 2 . . . . 42 MET HG3 . 15003 1
396 . 1 1 42 42 MET CB C 13 31.164 0.400 . 1 . . . . 42 MET CB . 15003 1
397 . 1 1 42 42 MET N N 15 125.770 0.400 . 1 . . . . 42 MET N . 15003 1
398 . 1 1 43 43 GLU H H 1 8.433 0.020 . 1 . . . . 43 GLU H . 15003 1
399 . 1 1 43 43 GLU HA H 1 4.146 0.020 . 1 . . . . 43 GLU HA . 15003 1
400 . 1 1 43 43 GLU HB2 H 1 2.112 0.020 . 2 . . . . 43 GLU HB2 . 15003 1
401 . 1 1 43 43 GLU HB3 H 1 2.167 0.020 . 2 . . . . 43 GLU HB3 . 15003 1
402 . 1 1 43 43 GLU HG2 H 1 2.473 0.020 . 1 . . . . 43 GLU HG2 . 15003 1
403 . 1 1 43 43 GLU HG3 H 1 2.473 0.020 . 1 . . . . 43 GLU HG3 . 15003 1
404 . 1 1 43 43 GLU CA C 13 59.786 0.400 . 1 . . . . 43 GLU CA . 15003 1
405 . 1 1 43 43 GLU CG C 13 34.358 0.400 . 1 . . . . 43 GLU CG . 15003 1
406 . 1 1 43 43 GLU N N 15 120.298 0.400 . 1 . . . . 43 GLU N . 15003 1
407 . 1 1 44 44 THR H H 1 7.428 0.020 . 1 . . . . 44 THR H . 15003 1
408 . 1 1 44 44 THR HA H 1 3.882 0.020 . 1 . . . . 44 THR HA . 15003 1
409 . 1 1 44 44 THR HB H 1 3.841 0.020 . 1 . . . . 44 THR HB . 15003 1
410 . 1 1 44 44 THR HG21 H 1 1.005 0.020 . 1 . . . . 44 THR HG2 . 15003 1
411 . 1 1 44 44 THR HG22 H 1 1.005 0.020 . 1 . . . . 44 THR HG2 . 15003 1
412 . 1 1 44 44 THR HG23 H 1 1.005 0.020 . 1 . . . . 44 THR HG2 . 15003 1
413 . 1 1 44 44 THR CA C 13 67.038 0.400 . 1 . . . . 44 THR CA . 15003 1
414 . 1 1 44 44 THR CB C 13 68.752 0.400 . 1 . . . . 44 THR CB . 15003 1
415 . 1 1 44 44 THR N N 15 118.140 0.400 . 1 . . . . 44 THR N . 15003 1
416 . 1 1 45 45 LEU H H 1 8.359 0.020 . 1 . . . . 45 LEU H . 15003 1
417 . 1 1 45 45 LEU HA H 1 4.665 0.020 . 1 . . . . 45 LEU HA . 15003 1
418 . 1 1 45 45 LEU HB2 H 1 1.592 0.020 . 2 . . . . 45 LEU HB2 . 15003 1
419 . 1 1 45 45 LEU HB3 H 1 1.776 0.020 . 2 . . . . 45 LEU HB3 . 15003 1
420 . 1 1 45 45 LEU HG H 1 1.718 0.020 . 1 . . . . 45 LEU HG . 15003 1
421 . 1 1 45 45 LEU HD11 H 1 0.790 0.020 . 2 . . . . 45 LEU HD1 . 15003 1
422 . 1 1 45 45 LEU HD12 H 1 0.790 0.020 . 2 . . . . 45 LEU HD1 . 15003 1
423 . 1 1 45 45 LEU HD13 H 1 0.790 0.020 . 2 . . . . 45 LEU HD1 . 15003 1
424 . 1 1 45 45 LEU HD21 H 1 1.139 0.020 . 2 . . . . 45 LEU HD2 . 15003 1
425 . 1 1 45 45 LEU HD22 H 1 1.139 0.020 . 2 . . . . 45 LEU HD2 . 15003 1
426 . 1 1 45 45 LEU HD23 H 1 1.139 0.020 . 2 . . . . 45 LEU HD2 . 15003 1
427 . 1 1 45 45 LEU CA C 13 58.897 0.400 . 1 . . . . 45 LEU CA . 15003 1
428 . 1 1 45 45 LEU CB C 13 41.982 0.400 . 1 . . . . 45 LEU CB . 15003 1
429 . 1 1 45 45 LEU CG C 13 27.909 0.400 . 1 . . . . 45 LEU CG . 15003 1
430 . 1 1 45 45 LEU CD1 C 13 23.727 0.400 . 1 . . . . 45 LEU CD1 . 15003 1
431 . 1 1 45 45 LEU CD2 C 13 23.788 0.400 . 1 . . . . 45 LEU CD2 . 15003 1
432 . 1 1 45 45 LEU N N 15 125.262 0.400 . 1 . . . . 45 LEU N . 15003 1
433 . 1 1 46 46 LYS H H 1 8.312 0.020 . 1 . . . . 46 LYS H . 15003 1
434 . 1 1 46 46 LYS HA H 1 3.976 0.020 . 1 . . . . 46 LYS HA . 15003 1
435 . 1 1 46 46 LYS HB2 H 1 1.925 0.020 . 2 . . . . 46 LYS HB2 . 15003 1
436 . 1 1 46 46 LYS HB3 H 1 2.080 0.020 . 2 . . . . 46 LYS HB3 . 15003 1
437 . 1 1 46 46 LYS HG2 H 1 1.426 0.020 . 2 . . . . 46 LYS HG2 . 15003 1
438 . 1 1 46 46 LYS HG3 H 1 1.602 0.020 . 2 . . . . 46 LYS HG3 . 15003 1
439 . 1 1 46 46 LYS HD2 H 1 1.597 0.020 . 2 . . . . 46 LYS HD2 . 15003 1
440 . 1 1 46 46 LYS HD3 H 1 1.695 0.020 . 2 . . . . 46 LYS HD3 . 15003 1
441 . 1 1 46 46 LYS HE2 H 1 2.772 0.020 . 2 . . . . 46 LYS HE2 . 15003 1
442 . 1 1 46 46 LYS HE3 H 1 2.947 0.020 . 2 . . . . 46 LYS HE3 . 15003 1
443 . 1 1 46 46 LYS CA C 13 60.661 0.400 . 1 . . . . 46 LYS CA . 15003 1
444 . 1 1 46 46 LYS CB C 13 33.508 0.400 . 1 . . . . 46 LYS CB . 15003 1
445 . 1 1 46 46 LYS CG C 13 26.026 0.400 . 1 . . . . 46 LYS CG . 15003 1
446 . 1 1 46 46 LYS CD C 13 30.111 0.400 . 1 . . . . 46 LYS CD . 15003 1
447 . 1 1 46 46 LYS CE C 13 42.516 0.400 . 1 . . . . 46 LYS CE . 15003 1
448 . 1 1 46 46 LYS N N 15 119.008 0.400 . 1 . . . . 46 LYS N . 15003 1
449 . 1 1 47 47 MET H H 1 7.505 0.020 . 1 . . . . 47 MET H . 15003 1
450 . 1 1 47 47 MET HA H 1 4.312 0.020 . 1 . . . . 47 MET HA . 15003 1
451 . 1 1 47 47 MET HB2 H 1 2.265 0.020 . 1 . . . . 47 MET HB2 . 15003 1
452 . 1 1 47 47 MET HB3 H 1 2.265 0.020 . 1 . . . . 47 MET HB3 . 15003 1
453 . 1 1 47 47 MET HG2 H 1 2.649 0.020 . 2 . . . . 47 MET HG2 . 15003 1
454 . 1 1 47 47 MET HG3 H 1 2.781 0.020 . 2 . . . . 47 MET HG3 . 15003 1
455 . 1 1 47 47 MET CA C 13 58.741 0.400 . 1 . . . . 47 MET CA . 15003 1
456 . 1 1 47 47 MET CG C 13 32.651 0.400 . 1 . . . . 47 MET CG . 15003 1
457 . 1 1 47 47 MET N N 15 118.060 0.400 . 1 . . . . 47 MET N . 15003 1
458 . 1 1 48 48 TYR H H 1 8.658 0.020 . 1 . . . . 48 TYR H . 15003 1
459 . 1 1 48 48 TYR HA H 1 4.217 0.020 . 1 . . . . 48 TYR HA . 15003 1
460 . 1 1 48 48 TYR HB2 H 1 3.372 0.020 . 2 . . . . 48 TYR HB2 . 15003 1
461 . 1 1 48 48 TYR HB3 H 1 3.464 0.020 . 2 . . . . 48 TYR HB3 . 15003 1
462 . 1 1 48 48 TYR HD1 H 1 7.014 0.020 . 1 . . . . 48 TYR HD1 . 15003 1
463 . 1 1 48 48 TYR HD2 H 1 7.014 0.020 . 1 . . . . 48 TYR HD2 . 15003 1
464 . 1 1 48 48 TYR HE1 H 1 6.630 0.020 . 1 . . . . 48 TYR HE1 . 15003 1
465 . 1 1 48 48 TYR HE2 H 1 6.630 0.020 . 1 . . . . 48 TYR HE2 . 15003 1
466 . 1 1 48 48 TYR CA C 13 62.487 0.400 . 1 . . . . 48 TYR CA . 15003 1
467 . 1 1 48 48 TYR CB C 13 39.019 0.400 . 1 . . . . 48 TYR CB . 15003 1
468 . 1 1 48 48 TYR CD1 C 13 133.258 0.400 . 1 . . . . 48 TYR CD1 . 15003 1
469 . 1 1 48 48 TYR CE1 C 13 118.601 0.400 . 1 . . . . 48 TYR CE1 . 15003 1
470 . 1 1 48 48 TYR N N 15 123.686 0.400 . 1 . . . . 48 TYR N . 15003 1
471 . 1 1 49 49 MET H H 1 9.170 0.020 . 1 . . . . 49 MET H . 15003 1
472 . 1 1 49 49 MET HA H 1 4.353 0.020 . 1 . . . . 49 MET HA . 15003 1
473 . 1 1 49 49 MET HB2 H 1 2.204 0.020 . 1 . . . . 49 MET HB2 . 15003 1
474 . 1 1 49 49 MET HB3 H 1 2.204 0.020 . 1 . . . . 49 MET HB3 . 15003 1
475 . 1 1 49 49 MET HG2 H 1 2.941 0.020 . 1 . . . . 49 MET HG2 . 15003 1
476 . 1 1 49 49 MET HG3 H 1 2.941 0.020 . 1 . . . . 49 MET HG3 . 15003 1
477 . 1 1 49 49 MET CA C 13 56.963 0.400 . 1 . . . . 49 MET CA . 15003 1
478 . 1 1 49 49 MET CB C 13 31.664 0.400 . 1 . . . . 49 MET CB . 15003 1
479 . 1 1 49 49 MET CG C 13 33.523 0.400 . 1 . . . . 49 MET CG . 15003 1
480 . 1 1 49 49 MET N N 15 117.211 0.400 . 1 . . . . 49 MET N . 15003 1
481 . 1 1 50 50 ALA H H 1 7.633 0.020 . 1 . . . . 50 ALA H . 15003 1
482 . 1 1 50 50 ALA HA H 1 4.271 0.020 . 1 . . . . 50 ALA HA . 15003 1
483 . 1 1 50 50 ALA HB1 H 1 1.570 0.020 . 1 . . . . 50 ALA HB . 15003 1
484 . 1 1 50 50 ALA HB2 H 1 1.570 0.020 . 1 . . . . 50 ALA HB . 15003 1
485 . 1 1 50 50 ALA HB3 H 1 1.570 0.020 . 1 . . . . 50 ALA HB . 15003 1
486 . 1 1 50 50 ALA CA C 13 55.103 0.400 . 1 . . . . 50 ALA CA . 15003 1
487 . 1 1 50 50 ALA CB C 13 19.174 0.400 . 1 . . . . 50 ALA CB . 15003 1
488 . 1 1 50 50 ALA N N 15 121.006 0.400 . 1 . . . . 50 ALA N . 15003 1
489 . 1 1 51 51 THR H H 1 7.434 0.020 . 1 . . . . 51 THR H . 15003 1
490 . 1 1 51 51 THR HA H 1 4.223 0.020 . 1 . . . . 51 THR HA . 15003 1
491 . 1 1 51 51 THR HB H 1 4.292 0.020 . 1 . . . . 51 THR HB . 15003 1
492 . 1 1 51 51 THR HG21 H 1 0.975 0.020 . 1 . . . . 51 THR HG2 . 15003 1
493 . 1 1 51 51 THR HG22 H 1 0.975 0.020 . 1 . . . . 51 THR HG2 . 15003 1
494 . 1 1 51 51 THR HG23 H 1 0.975 0.020 . 1 . . . . 51 THR HG2 . 15003 1
495 . 1 1 51 51 THR CA C 13 62.451 0.400 . 1 . . . . 51 THR CA . 15003 1
496 . 1 1 51 51 THR CB C 13 62.538 0.400 . 1 . . . . 51 THR CB . 15003 1
497 . 1 1 51 51 THR CG2 C 13 21.767 0.400 . 1 . . . . 51 THR CG2 . 15003 1
498 . 1 1 51 51 THR N N 15 107.770 0.400 . 1 . . . . 51 THR N . 15003 1
499 . 1 1 52 52 TYR H H 1 7.584 0.020 . 1 . . . . 52 TYR H . 15003 1
500 . 1 1 52 52 TYR HA H 1 4.215 0.020 . 1 . . . . 52 TYR HA . 15003 1
501 . 1 1 52 52 TYR HB2 H 1 2.565 0.020 . 2 . . . . 52 TYR HB2 . 15003 1
502 . 1 1 52 52 TYR HB3 H 1 2.833 0.020 . 2 . . . . 52 TYR HB3 . 15003 1
503 . 1 1 52 52 TYR HD1 H 1 6.913 0.020 . 1 . . . . 52 TYR HD1 . 15003 1
504 . 1 1 52 52 TYR HD2 H 1 6.913 0.020 . 1 . . . . 52 TYR HD2 . 15003 1
505 . 1 1 52 52 TYR HE1 H 1 6.583 0.020 . 1 . . . . 52 TYR HE1 . 15003 1
506 . 1 1 52 52 TYR HE2 H 1 6.583 0.020 . 1 . . . . 52 TYR HE2 . 15003 1
507 . 1 1 52 52 TYR CA C 13 59.445 0.400 . 1 . . . . 52 TYR CA . 15003 1
508 . 1 1 52 52 TYR CB C 13 39.593 0.400 . 1 . . . . 52 TYR CB . 15003 1
509 . 1 1 52 52 TYR CD1 C 13 133.275 0.400 . 1 . . . . 52 TYR CD1 . 15003 1
510 . 1 1 52 52 TYR CE1 C 13 117.625 0.400 . 1 . . . . 52 TYR CE1 . 15003 1
511 . 1 1 52 52 TYR N N 15 123.408 0.400 . 1 . . . . 52 TYR N . 15003 1
512 . 1 1 53 53 HIS H H 1 7.600 0.020 . 1 . . . . 53 HIS H . 15003 1
513 . 1 1 53 53 HIS HA H 1 4.290 0.020 . 1 . . . . 53 HIS HA . 15003 1
514 . 1 1 53 53 HIS HB2 H 1 3.016 0.020 . 2 . . . . 53 HIS HB2 . 15003 1
515 . 1 1 53 53 HIS HB3 H 1 3.193 0.020 . 2 . . . . 53 HIS HB3 . 15003 1
516 . 1 1 53 53 HIS HD1 H 1 7.633 0.020 . 1 . . . . 53 HIS HD1 . 15003 1
517 . 1 1 53 53 HIS HD2 H 1 7.105 0.020 . 1 . . . . 53 HIS HD2 . 15003 1
518 . 1 1 53 53 HIS HE1 H 1 8.515 0.020 . 1 . . . . 53 HIS HE1 . 15003 1
519 . 1 1 53 53 HIS CA C 13 56.995 0.400 . 1 . . . . 53 HIS CA . 15003 1
520 . 1 1 53 53 HIS CB C 13 30.457 0.400 . 1 . . . . 53 HIS CB . 15003 1
521 . 1 1 53 53 HIS CD2 C 13 119.490 0.400 . 1 . . . . 53 HIS CD2 . 15003 1
522 . 1 1 53 53 HIS CE1 C 13 135.637 0.400 . 1 . . . . 53 HIS CE1 . 15003 1
523 . 1 1 53 53 HIS N N 15 125.608 0.400 . 1 . . . . 53 HIS N . 15003 1
524 . 1 1 53 53 HIS ND1 N 15 119.824 0.400 . 1 . . . . 53 HIS ND1 . 15003 1
stop_
save_