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 52170
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name n-PhoSL
_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 1H-15N HSQC' . . . 52170 1
2 '3D HNCACB' . . . 52170 1
3 '3D HN(CA)CO' . . . 52170 1
4 '3D HCCH-TOCSY' . . . 52170 1
5 '3D 1H-15N TOCSY' . . . 52170 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
2 $software_2 . . 52170 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 ALA HA H 1 4.1780 0.02 . 1 . . . . . 1 ALA HA . 52170 1
2 . 1 . 1 1 1 ALA HB1 H 1 1.4100 0.02 . 1 . . . . . 1 ALA HB1 . 52170 1
3 . 1 . 1 1 1 ALA HB2 H 1 1.4100 0.02 . 1 . . . . . 1 ALA HB1 . 52170 1
4 . 1 . 1 1 1 ALA HB3 H 1 1.4100 0.02 . 1 . . . . . 1 ALA HB1 . 52170 1
5 . 1 . 1 1 1 ALA CA C 13 51.0290 0.1 . 1 . . . . . 1 ALA CA . 52170 1
6 . 1 . 1 1 1 ALA CB C 13 17.8460 0.1 . 1 . . . . . 1 ALA CB . 52170 1
7 . 1 . 1 2 2 PRO HA H 1 4.3360 0.02 . 1 . . . . . 2 PRO HA . 52170 1
8 . 1 . 1 2 2 PRO HB2 H 1 1.7080 0.02 . 2 . . . . . 2 PRO HB1 . 52170 1
9 . 1 . 1 2 2 PRO HB3 H 1 2.0110 0.02 . 2 . . . . . 2 PRO HB2 . 52170 1
10 . 1 . 1 2 2 PRO HG2 H 1 2.0070 0.02 . 2 . . . . . 2 PRO HG1 . 52170 1
11 . 1 . 1 2 2 PRO HG3 H 1 2.1210 0.02 . 2 . . . . . 2 PRO HG2 . 52170 1
12 . 1 . 1 2 2 PRO HD2 H 1 3.5070 0.02 . 2 . . . . . 2 PRO HD1 . 52170 1
13 . 1 . 1 2 2 PRO HD3 H 1 3.5640 0.02 . 2 . . . . . 2 PRO HD2 . 52170 1
14 . 1 . 1 2 2 PRO C C 13 176.7640 0.1 . 1 . . . . . 2 PRO C . 52170 1
15 . 1 . 1 2 2 PRO CA C 13 62.5260 0.1 . 1 . . . . . 2 PRO CA . 52170 1
16 . 1 . 1 2 2 PRO CB C 13 31.7150 0.1 . 1 . . . . . 2 PRO CB . 52170 1
17 . 1 . 1 2 2 PRO CG C 13 27.5440 0.1 . 1 . . . . . 2 PRO CG . 52170 1
18 . 1 . 1 2 2 PRO CD C 13 50.0170 0.1 . 1 . . . . . 2 PRO CD . 52170 1
19 . 1 . 1 3 3 VAL H H 1 9.0300 0.02 . 1 . . . . . 3 VAL HN . 52170 1
20 . 1 . 1 3 3 VAL HA H 1 4.9960 0.02 . 1 . . . . . 3 VAL HA . 52170 1
21 . 1 . 1 3 3 VAL HB H 1 2.4550 0.02 . 1 . . . . . 3 VAL HB . 52170 1
22 . 1 . 1 3 3 VAL HG11 H 1 0.7710 0.02 . 2 . . . . . 3 VAL HG11 . 52170 1
23 . 1 . 1 3 3 VAL HG12 H 1 0.7710 0.02 . 2 . . . . . 3 VAL HG11 . 52170 1
24 . 1 . 1 3 3 VAL HG13 H 1 0.7710 0.02 . 2 . . . . . 3 VAL HG11 . 52170 1
25 . 1 . 1 3 3 VAL HG21 H 1 0.9060 0.02 . 2 . . . . . 3 VAL HG21 . 52170 1
26 . 1 . 1 3 3 VAL HG22 H 1 0.9060 0.02 . 2 . . . . . 3 VAL HG21 . 52170 1
27 . 1 . 1 3 3 VAL HG23 H 1 0.9060 0.02 . 2 . . . . . 3 VAL HG21 . 52170 1
28 . 1 . 1 3 3 VAL C C 13 172.5340 0.1 . 1 . . . . . 3 VAL C . 52170 1
29 . 1 . 1 3 3 VAL CA C 13 57.6930 0.1 . 1 . . . . . 3 VAL CA . 52170 1
30 . 1 . 1 3 3 VAL CB C 13 32.7490 0.1 . 1 . . . . . 3 VAL CB . 52170 1
31 . 1 . 1 3 3 VAL CG1 C 13 19.3660 0.1 . 2 . . . . . 3 VAL CG1 . 52170 1
32 . 1 . 1 3 3 VAL CG2 C 13 22.0640 0.1 . 2 . . . . . 3 VAL CG2 . 52170 1
33 . 1 . 1 3 3 VAL N N 15 119.7010 0.2 . 1 . . . . . 3 VAL N . 52170 1
34 . 1 . 1 4 4 PRO HA H 1 4.7210 0.02 . 1 . . . . . 4 PRO HA . 52170 1
35 . 1 . 1 4 4 PRO HB2 H 1 1.9720 0.02 . 1 . . . . . 4 PRO HB1 . 52170 1
36 . 1 . 1 4 4 PRO HB3 H 1 2.5230 0.02 . 1 . . . . . 4 PRO HB2 . 52170 1
37 . 1 . 1 4 4 PRO HG2 H 1 2.2800 0.02 . 2 . . . . . 4 PRO HG1 . 52170 1
38 . 1 . 1 4 4 PRO HG3 H 1 2.0410 0.02 . 2 . . . . . 4 PRO HG2 . 52170 1
39 . 1 . 1 4 4 PRO HD2 H 1 4.0100 0.02 . 2 . . . . . 4 PRO HD1 . 52170 1
40 . 1 . 1 4 4 PRO HD3 H 1 3.9330 0.02 . 2 . . . . . 4 PRO HD2 . 52170 1
41 . 1 . 1 4 4 PRO C C 13 175.3970 0.1 . 1 . . . . . 4 PRO C . 52170 1
42 . 1 . 1 4 4 PRO CA C 13 62.8970 0.1 . 1 . . . . . 4 PRO CA . 52170 1
43 . 1 . 1 4 4 PRO CB C 13 32.9540 0.1 . 1 . . . . . 4 PRO CB . 52170 1
44 . 1 . 1 4 4 PRO CG C 13 27.7100 0.1 . 1 . . . . . 4 PRO CG . 52170 1
45 . 1 . 1 4 4 PRO CD C 13 51.1900 0.1 . 1 . . . . . 4 PRO CD . 52170 1
46 . 1 . 1 5 5 VAL H H 1 7.6900 0.02 . 1 . . . . . 5 VAL HN . 52170 1
47 . 1 . 1 5 5 VAL HA H 1 4.6750 0.02 . 1 . . . . . 5 VAL HA . 52170 1
48 . 1 . 1 5 5 VAL HB H 1 1.9880 0.02 . 1 . . . . . 5 VAL HB . 52170 1
49 . 1 . 1 5 5 VAL HG11 H 1 0.9010 0.02 . 2 . . . . . 5 VAL HG11 . 52170 1
50 . 1 . 1 5 5 VAL HG12 H 1 0.9010 0.02 . 2 . . . . . 5 VAL HG11 . 52170 1
51 . 1 . 1 5 5 VAL HG13 H 1 0.9010 0.02 . 2 . . . . . 5 VAL HG11 . 52170 1
52 . 1 . 1 5 5 VAL HG21 H 1 1.0650 0.02 . 2 . . . . . 5 VAL HG21 . 52170 1
53 . 1 . 1 5 5 VAL HG22 H 1 1.0650 0.02 . 2 . . . . . 5 VAL HG21 . 52170 1
54 . 1 . 1 5 5 VAL HG23 H 1 1.0650 0.02 . 2 . . . . . 5 VAL HG21 . 52170 1
55 . 1 . 1 5 5 VAL C C 13 177.7860 0.1 . 1 . . . . . 5 VAL C . 52170 1
56 . 1 . 1 5 5 VAL CA C 13 61.1010 0.1 . 1 . . . . . 5 VAL CA . 52170 1
57 . 1 . 1 5 5 VAL CB C 13 33.4010 0.1 . 1 . . . . . 5 VAL CB . 52170 1
58 . 1 . 1 5 5 VAL CG1 C 13 23.2890 0.1 . 2 . . . . . 5 VAL CG1 . 52170 1
59 . 1 . 1 5 5 VAL CG2 C 13 22.2750 0.1 . 2 . . . . . 5 VAL CG2 . 52170 1
60 . 1 . 1 5 5 VAL N N 15 119.8560 0.2 . 1 . . . . . 5 VAL N . 52170 1
61 . 1 . 1 6 6 THR H H 1 9.3450 0.02 . 1 . . . . . 6 THR HN . 52170 1
62 . 1 . 1 6 6 THR HA H 1 4.3410 0.02 . 1 . . . . . 6 THR HA . 52170 1
63 . 1 . 1 6 6 THR HB H 1 4.2230 0.02 . 1 . . . . . 6 THR HB . 52170 1
64 . 1 . 1 6 6 THR HG21 H 1 1.2080 0.02 . 1 . . . . . 6 THR HG21 . 52170 1
65 . 1 . 1 6 6 THR HG22 H 1 1.2080 0.02 . 1 . . . . . 6 THR HG21 . 52170 1
66 . 1 . 1 6 6 THR HG23 H 1 1.2080 0.02 . 1 . . . . . 6 THR HG21 . 52170 1
67 . 1 . 1 6 6 THR C C 13 174.9230 0.1 . 1 . . . . . 6 THR C . 52170 1
68 . 1 . 1 6 6 THR CA C 13 62.8850 0.1 . 1 . . . . . 6 THR CA . 52170 1
69 . 1 . 1 6 6 THR CB C 13 68.7580 0.1 . 1 . . . . . 6 THR CB . 52170 1
70 . 1 . 1 6 6 THR CG2 C 13 22.3330 0.1 . 1 . . . . . 6 THR CG2 . 52170 1
71 . 1 . 1 6 6 THR N N 15 120.6470 0.2 . 1 . . . . . 6 THR N . 52170 1
72 . 1 . 1 7 7 LYS H H 1 7.3480 0.02 . 1 . . . . . 7 LYS HN . 52170 1
73 . 1 . 1 7 7 LYS HA H 1 4.5270 0.02 . 1 . . . . . 7 LYS HA . 52170 1
74 . 1 . 1 7 7 LYS HB2 H 1 1.6750 0.02 . 2 . . . . . 7 LYS HB1 . 52170 1
75 . 1 . 1 7 7 LYS HB3 H 1 1.9020 0.02 . 2 . . . . . 7 LYS HB2 . 52170 1
76 . 1 . 1 7 7 LYS HG2 H 1 1.3790 0.02 . 2 . . . . . 7 LYS HG1 . 52170 1
77 . 1 . 1 7 7 LYS HG3 H 1 1.1790 0.02 . 2 . . . . . 7 LYS HG2 . 52170 1
78 . 1 . 1 7 7 LYS HD2 H 1 1.3870 0.02 . 2 . . . . . 7 LYS HD1 . 52170 1
79 . 1 . 1 7 7 LYS HD3 H 1 1.3670 0.02 . 2 . . . . . 7 LYS HD2 . 52170 1
80 . 1 . 1 7 7 LYS HE2 H 1 2.5150 0.02 . 2 . . . . . 7 LYS HE1 . 52170 1
81 . 1 . 1 7 7 LYS HE3 H 1 2.4690 0.02 . 2 . . . . . 7 LYS HE2 . 52170 1
82 . 1 . 1 7 7 LYS C C 13 172.3440 0.1 . 1 . . . . . 7 LYS C . 52170 1
83 . 1 . 1 7 7 LYS CA C 13 56.5440 0.1 . 1 . . . . . 7 LYS CA . 52170 1
84 . 1 . 1 7 7 LYS CB C 13 34.9210 0.1 . 1 . . . . . 7 LYS CB . 52170 1
85 . 1 . 1 7 7 LYS CG C 13 24.5850 0.1 . 1 . . . . . 7 LYS CG . 52170 1
86 . 1 . 1 7 7 LYS CD C 13 29.1340 0.1 . 1 . . . . . 7 LYS CD . 52170 1
87 . 1 . 1 7 7 LYS CE C 13 41.5250 0.1 . 1 . . . . . 7 LYS CE . 52170 1
88 . 1 . 1 7 7 LYS N N 15 120.9500 0.2 . 1 . . . . . 7 LYS N . 52170 1
89 . 1 . 1 8 8 LEU H H 1 8.6150 0.02 . 1 . . . . . 8 LEU HN . 52170 1
90 . 1 . 1 8 8 LEU HA H 1 5.4310 0.02 . 1 . . . . . 8 LEU HA . 52170 1
91 . 1 . 1 8 8 LEU HB2 H 1 1.3280 0.02 . 2 . . . . . 8 LEU HB1 . 52170 1
92 . 1 . 1 8 8 LEU HB3 H 1 1.9470 0.02 . 2 . . . . . 8 LEU HB2 . 52170 1
93 . 1 . 1 8 8 LEU HG H 1 1.5240 0.02 . 1 . . . . . 8 LEU HG . 52170 1
94 . 1 . 1 8 8 LEU HD11 H 1 1.1240 0.02 . 2 . . . . . 8 LEU HD11 . 52170 1
95 . 1 . 1 8 8 LEU HD12 H 1 1.1240 0.02 . 2 . . . . . 8 LEU HD11 . 52170 1
96 . 1 . 1 8 8 LEU HD13 H 1 1.1240 0.02 . 2 . . . . . 8 LEU HD11 . 52170 1
97 . 1 . 1 8 8 LEU HD21 H 1 1.0240 0.02 . 2 . . . . . 8 LEU HD21 . 52170 1
98 . 1 . 1 8 8 LEU HD22 H 1 1.0240 0.02 . 2 . . . . . 8 LEU HD21 . 52170 1
99 . 1 . 1 8 8 LEU HD23 H 1 1.0240 0.02 . 2 . . . . . 8 LEU HD21 . 52170 1
100 . 1 . 1 8 8 LEU C C 13 174.8980 0.1 . 1 . . . . . 8 LEU C . 52170 1
101 . 1 . 1 8 8 LEU CA C 13 53.9590 0.1 . 1 . . . . . 8 LEU CA . 52170 1
102 . 1 . 1 8 8 LEU CB C 13 45.5120 0.1 . 1 . . . . . 8 LEU CB . 52170 1
103 . 1 . 1 8 8 LEU CG C 13 27.3500 0.1 . 1 . . . . . 8 LEU CG . 52170 1
104 . 1 . 1 8 8 LEU CD1 C 13 26.6410 0.1 . 2 . . . . . 8 LEU CD1 . 52170 1
105 . 1 . 1 8 8 LEU CD2 C 13 24.9930 0.1 . 2 . . . . . 8 LEU CD2 . 52170 1
106 . 1 . 1 8 8 LEU N N 15 127.8090 0.2 . 1 . . . . . 8 LEU N . 52170 1
107 . 1 . 1 9 9 VAL H H 1 8.7940 0.02 . 1 . . . . . 9 VAL HN . 52170 1
108 . 1 . 1 9 9 VAL HA H 1 5.2060 0.02 . 1 . . . . . 9 VAL HA . 52170 1
109 . 1 . 1 9 9 VAL HB H 1 1.9460 0.02 . 1 . . . . . 9 VAL HB . 52170 1
110 . 1 . 1 9 9 VAL HG11 H 1 0.7950 0.02 . 2 . . . . . 9 VAL HG11 . 52170 1
111 . 1 . 1 9 9 VAL HG12 H 1 0.7950 0.02 . 2 . . . . . 9 VAL HG11 . 52170 1
112 . 1 . 1 9 9 VAL HG13 H 1 0.7950 0.02 . 2 . . . . . 9 VAL HG11 . 52170 1
113 . 1 . 1 9 9 VAL HG21 H 1 0.9410 0.02 . 2 . . . . . 9 VAL HG21 . 52170 1
114 . 1 . 1 9 9 VAL HG22 H 1 0.9410 0.02 . 2 . . . . . 9 VAL HG21 . 52170 1
115 . 1 . 1 9 9 VAL HG23 H 1 0.9410 0.02 . 2 . . . . . 9 VAL HG21 . 52170 1
116 . 1 . 1 9 9 VAL C C 13 174.8510 0.1 . 1 . . . . . 9 VAL C . 52170 1
117 . 1 . 1 9 9 VAL CA C 13 58.5300 0.1 . 1 . . . . . 9 VAL CA . 52170 1
118 . 1 . 1 9 9 VAL CB C 13 35.5800 0.1 . 1 . . . . . 9 VAL CB . 52170 1
119 . 1 . 1 9 9 VAL CG1 C 13 21.5040 0.1 . 2 . . . . . 9 VAL CG1 . 52170 1
120 . 1 . 1 9 9 VAL CG2 C 13 19.0100 0.1 . 2 . . . . . 9 VAL CG2 . 52170 1
121 . 1 . 1 9 9 VAL N N 15 118.7550 0.2 . 1 . . . . . 9 VAL N . 52170 1
122 . 1 . 1 10 10 CYS H H 1 8.7190 0.02 . 1 . . . . . 10 CYS HN . 52170 1
123 . 1 . 1 10 10 CYS HA H 1 5.1650 0.02 . 1 . . . . . 10 CYS HA . 52170 1
124 . 1 . 1 10 10 CYS HB2 H 1 2.4240 0.02 . 2 . . . . . 10 CYS HB1 . 52170 1
125 . 1 . 1 10 10 CYS HB3 H 1 2.6890 0.02 . 2 . . . . . 10 CYS HB2 . 52170 1
126 . 1 . 1 10 10 CYS C C 13 171.7380 0.1 . 1 . . . . . 10 CYS C . 52170 1
127 . 1 . 1 10 10 CYS CA C 13 56.5010 0.1 . 1 . . . . . 10 CYS CA . 52170 1
128 . 1 . 1 10 10 CYS CB C 13 50.8710 0.1 . 1 . . . . . 10 CYS CB . 52170 1
129 . 1 . 1 10 10 CYS N N 15 115.6470 0.2 . 1 . . . . . 10 CYS N . 52170 1
130 . 1 . 1 11 11 ASP H H 1 7.9630 0.02 . 1 . . . . . 11 ASP HN . 52170 1
131 . 1 . 1 11 11 ASP HA H 1 4.8770 0.02 . 1 . . . . . 11 ASP HA . 52170 1
132 . 1 . 1 11 11 ASP HB2 H 1 1.8380 0.02 . 2 . . . . . 11 ASP HB1 . 52170 1
133 . 1 . 1 11 11 ASP HB3 H 1 3.2520 0.02 . 2 . . . . . 11 ASP HB2 . 52170 1
134 . 1 . 1 11 11 ASP C C 13 176.6340 0.1 . 1 . . . . . 11 ASP C . 52170 1
135 . 1 . 1 11 11 ASP CA C 13 52.4040 0.1 . 1 . . . . . 11 ASP CA . 52170 1
136 . 1 . 1 11 11 ASP CB C 13 44.4570 0.1 . 1 . . . . . 11 ASP CB . 52170 1
137 . 1 . 1 11 11 ASP N N 15 121.0480 0.2 . 1 . . . . . 11 ASP N . 52170 1
138 . 1 . 1 12 12 GLY H H 1 8.9640 0.02 . 1 . . . . . 12 GLY HN . 52170 1
139 . 1 . 1 12 12 GLY HA2 H 1 3.2720 0.02 . 2 . . . . . 12 GLY HA1 . 52170 1
140 . 1 . 1 12 12 GLY HA3 H 1 3.4660 0.02 . 2 . . . . . 12 GLY HA2 . 52170 1
141 . 1 . 1 12 12 GLY C C 13 172.4980 0.1 . 1 . . . . . 12 GLY C . 52170 1
142 . 1 . 1 12 12 GLY CA C 13 45.4210 0.1 . 1 . . . . . 12 GLY CA . 52170 1
143 . 1 . 1 12 12 GLY N N 15 113.6950 0.2 . 1 . . . . . 12 GLY N . 52170 1
144 . 1 . 1 13 13 ASP H H 1 8.7690 0.02 . 1 . . . . . 13 ASP HN . 52170 1
145 . 1 . 1 13 13 ASP HA H 1 4.6440 0.02 . 1 . . . . . 13 ASP HA . 52170 1
146 . 1 . 1 13 13 ASP HB2 H 1 2.5590 0.02 . 2 . . . . . 13 ASP HB1 . 52170 1
147 . 1 . 1 13 13 ASP HB3 H 1 2.5590 0.02 . 2 . . . . . 13 ASP HB2 . 52170 1
148 . 1 . 1 13 13 ASP C C 13 177.2390 0.1 . 1 . . . . . 13 ASP C . 52170 1
149 . 1 . 1 13 13 ASP CA C 13 55.2940 0.1 . 1 . . . . . 13 ASP CA . 52170 1
150 . 1 . 1 13 13 ASP CB C 13 41.6400 0.1 . 1 . . . . . 13 ASP CB . 52170 1
151 . 1 . 1 13 13 ASP N N 15 117.0320 0.2 . 1 . . . . . 13 ASP N . 52170 1
152 . 1 . 1 14 14 THR H H 1 6.9560 0.02 . 1 . . . . . 14 THR HN . 52170 1
153 . 1 . 1 14 14 THR HA H 1 4.1780 0.02 . 1 . . . . . 14 THR HA . 52170 1
154 . 1 . 1 14 14 THR HB H 1 4.2130 0.02 . 1 . . . . . 14 THR HB . 52170 1
155 . 1 . 1 14 14 THR HG21 H 1 0.9860 0.02 . 1 . . . . . 14 THR HG21 . 52170 1
156 . 1 . 1 14 14 THR HG22 H 1 0.9860 0.02 . 1 . . . . . 14 THR HG21 . 52170 1
157 . 1 . 1 14 14 THR HG23 H 1 0.9860 0.02 . 1 . . . . . 14 THR HG21 . 52170 1
158 . 1 . 1 14 14 THR C C 13 175.1260 0.1 . 1 . . . . . 14 THR C . 52170 1
159 . 1 . 1 14 14 THR CA C 13 60.8450 0.1 . 1 . . . . . 14 THR CA . 52170 1
160 . 1 . 1 14 14 THR CB C 13 69.7380 0.1 . 1 . . . . . 14 THR CB . 52170 1
161 . 1 . 1 14 14 THR CG2 C 13 21.6310 0.1 . 1 . . . . . 14 THR CG2 . 52170 1
162 . 1 . 1 14 14 THR N N 15 106.2820 0.2 . 1 . . . . . 14 THR N . 52170 1
163 . 1 . 1 15 15 TYR H H 1 7.8010 0.02 . 1 . . . . . 15 TYR HN . 52170 1
164 . 1 . 1 15 15 TYR HA H 1 3.8080 0.02 . 1 . . . . . 15 TYR HA . 52170 1
165 . 1 . 1 15 15 TYR HB2 H 1 3.8680 0.02 . 2 . . . . . 15 TYR HB1 . 52170 1
166 . 1 . 1 15 15 TYR HB3 H 1 3.3290 0.02 . 2 . . . . . 15 TYR HB2 . 52170 1
167 . 1 . 1 15 15 TYR HD1 H 1 7.0930 0.02 . 3 . . . . . 15 TYR HD1 . 52170 1
168 . 1 . 1 15 15 TYR HD2 H 1 7.0930 0.02 . 3 . . . . . 15 TYR HD2 . 52170 1
169 . 1 . 1 15 15 TYR HE1 H 1 7.0190 0.02 . 3 . . . . . 15 TYR HE1 . 52170 1
170 . 1 . 1 15 15 TYR HE2 H 1 7.0190 0.02 . 3 . . . . . 15 TYR HE2 . 52170 1
171 . 1 . 1 15 15 TYR C C 13 175.0530 0.1 . 1 . . . . . 15 TYR C . 52170 1
172 . 1 . 1 15 15 TYR CA C 13 59.3050 0.1 . 1 . . . . . 15 TYR CA . 52170 1
173 . 1 . 1 15 15 TYR CB C 13 33.3990 0.1 . 1 . . . . . 15 TYR CB . 52170 1
174 . 1 . 1 15 15 TYR CD1 C 13 132.5350 0.1 . 3 . . . . . 15 TYR CD1 . 52170 1
175 . 1 . 1 15 15 TYR CD2 C 13 132.5350 0.1 . 3 . . . . . 15 TYR CD2 . 52170 1
176 . 1 . 1 15 15 TYR CE1 C 13 118.6940 0.1 . 3 . . . . . 15 TYR CE1 . 52170 1
177 . 1 . 1 15 15 TYR CE2 C 13 118.6940 0.1 . 3 . . . . . 15 TYR CE2 . 52170 1
178 . 1 . 1 15 15 TYR N N 15 116.9340 0.2 . 1 . . . . . 15 TYR N . 52170 1
179 . 1 . 1 16 16 LYS H H 1 7.2350 0.02 . 1 . . . . . 16 LYS HN . 52170 1
180 . 1 . 1 16 16 LYS HA H 1 5.2250 0.02 . 1 . . . . . 16 LYS HA . 52170 1
181 . 1 . 1 16 16 LYS HB2 H 1 1.2250 0.02 . 2 . . . . . 16 LYS HB1 . 52170 1
182 . 1 . 1 16 16 LYS HB3 H 1 1.4190 0.02 . 2 . . . . . 16 LYS HB2 . 52170 1
183 . 1 . 1 16 16 LYS HG2 H 1 1.2110 0.02 . 2 . . . . . 16 LYS HG1 . 52170 1
184 . 1 . 1 16 16 LYS HG3 H 1 1.3590 0.02 . 2 . . . . . 16 LYS HG2 . 52170 1
185 . 1 . 1 16 16 LYS HD2 H 1 1.2070 0.02 . 2 . . . . . 16 LYS HD1 . 52170 1
186 . 1 . 1 16 16 LYS HD3 H 1 1.4930 0.02 . 2 . . . . . 16 LYS HD2 . 52170 1
187 . 1 . 1 16 16 LYS HE2 H 1 2.8790 0.02 . 2 . . . . . 16 LYS HE1 . 52170 1
188 . 1 . 1 16 16 LYS HE3 H 1 2.8790 0.02 . 2 . . . . . 16 LYS HE2 . 52170 1
189 . 1 . 1 16 16 LYS C C 13 178.7960 0.1 . 1 . . . . . 16 LYS C . 52170 1
190 . 1 . 1 16 16 LYS CA C 13 54.3670 0.1 . 1 . . . . . 16 LYS CA . 52170 1
191 . 1 . 1 16 16 LYS CB C 13 36.5940 0.1 . 1 . . . . . 16 LYS CB . 52170 1
192 . 1 . 1 16 16 LYS CG C 13 24.6190 0.1 . 1 . . . . . 16 LYS CG . 52170 1
193 . 1 . 1 16 16 LYS CD C 13 29.1810 0.1 . 1 . . . . . 16 LYS CD . 52170 1
194 . 1 . 1 16 16 LYS CE C 13 42.5850 0.1 . 1 . . . . . 16 LYS CE . 52170 1
195 . 1 . 1 16 16 LYS N N 15 115.4040 0.2 . 1 . . . . . 16 LYS N . 52170 1
196 . 1 . 1 17 17 CYS H H 1 8.1360 0.02 . 1 . . . . . 17 CYS HN . 52170 1
197 . 1 . 1 17 17 CYS HA H 1 4.8370 0.02 . 1 . . . . . 17 CYS HA . 52170 1
198 . 1 . 1 17 17 CYS HB2 H 1 0.7370 0.02 . 2 . . . . . 17 CYS HB1 . 52170 1
199 . 1 . 1 17 17 CYS HB3 H 1 1.9690 0.02 . 2 . . . . . 17 CYS HB2 . 52170 1
200 . 1 . 1 17 17 CYS C C 13 170.9420 0.1 . 1 . . . . . 17 CYS C . 52170 1
201 . 1 . 1 17 17 CYS CA C 13 56.9330 0.1 . 1 . . . . . 17 CYS CA . 52170 1
202 . 1 . 1 17 17 CYS CB C 13 44.8520 0.1 . 1 . . . . . 17 CYS CB . 52170 1
203 . 1 . 1 17 17 CYS N N 15 120.6500 0.2 . 1 . . . . . 17 CYS N . 52170 1
204 . 1 . 1 18 18 THR H H 1 9.0180 0.02 . 1 . . . . . 18 THR HN . 52170 1
205 . 1 . 1 18 18 THR HA H 1 4.4390 0.02 . 1 . . . . . 18 THR HA . 52170 1
206 . 1 . 1 18 18 THR HB H 1 3.5830 0.02 . 1 . . . . . 18 THR HB . 52170 1
207 . 1 . 1 18 18 THR HG21 H 1 0.5530 0.02 . 1 . . . . . 18 THR HG21 . 52170 1
208 . 1 . 1 18 18 THR HG22 H 1 0.5530 0.02 . 1 . . . . . 18 THR HG21 . 52170 1
209 . 1 . 1 18 18 THR HG23 H 1 0.5530 0.02 . 1 . . . . . 18 THR HG21 . 52170 1
210 . 1 . 1 18 18 THR C C 13 171.1680 0.1 . 1 . . . . . 18 THR C . 52170 1
211 . 1 . 1 18 18 THR CA C 13 62.1090 0.1 . 1 . . . . . 18 THR CA . 52170 1
212 . 1 . 1 18 18 THR CB C 13 70.8220 0.1 . 1 . . . . . 18 THR CB . 52170 1
213 . 1 . 1 18 18 THR CG2 C 13 20.9220 0.1 . 1 . . . . . 18 THR CG2 . 52170 1
214 . 1 . 1 18 18 THR N N 15 116.7180 0.2 . 1 . . . . . 18 THR N . 52170 1
215 . 1 . 1 19 19 ALA H H 1 9.6670 0.02 . 1 . . . . . 19 ALA HN . 52170 1
216 . 1 . 1 19 19 ALA HA H 1 5.2710 0.02 . 1 . . . . . 19 ALA HA . 52170 1
217 . 1 . 1 19 19 ALA HB1 H 1 1.6470 0.02 . 1 . . . . . 19 ALA HB1 . 52170 1
218 . 1 . 1 19 19 ALA HB2 H 1 1.6470 0.02 . 1 . . . . . 19 ALA HB1 . 52170 1
219 . 1 . 1 19 19 ALA HB3 H 1 1.6470 0.02 . 1 . . . . . 19 ALA HB1 . 52170 1
220 . 1 . 1 19 19 ALA C C 13 175.9210 0.1 . 1 . . . . . 19 ALA C . 52170 1
221 . 1 . 1 19 19 ALA CA C 13 49.1890 0.1 . 1 . . . . . 19 ALA CA . 52170 1
222 . 1 . 1 19 19 ALA CB C 13 21.4640 0.1 . 1 . . . . . 19 ALA CB . 52170 1
223 . 1 . 1 19 19 ALA N N 15 129.5720 0.2 . 1 . . . . . 19 ALA N . 52170 1
224 . 1 . 1 20 20 TYR H H 1 9.0100 0.02 . 1 . . . . . 20 TYR HN . 52170 1
225 . 1 . 1 20 20 TYR HA H 1 4.4960 0.02 . 1 . . . . . 20 TYR HA . 52170 1
226 . 1 . 1 20 20 TYR HB2 H 1 2.9870 0.02 . 2 . . . . . 20 TYR HB1 . 52170 1
227 . 1 . 1 20 20 TYR HB3 H 1 3.1170 0.02 . 2 . . . . . 20 TYR HB2 . 52170 1
228 . 1 . 1 20 20 TYR HD1 H 1 7.1970 0.02 . 3 . . . . . 20 TYR HD1 . 52170 1
229 . 1 . 1 20 20 TYR HD2 H 1 7.1970 0.02 . 3 . . . . . 20 TYR HD2 . 52170 1
230 . 1 . 1 20 20 TYR HE1 H 1 6.5800 0.02 . 3 . . . . . 20 TYR HE1 . 52170 1
231 . 1 . 1 20 20 TYR HE2 H 1 6.5800 0.02 . 3 . . . . . 20 TYR HE2 . 52170 1
232 . 1 . 1 20 20 TYR C C 13 176.0270 0.1 . 1 . . . . . 20 TYR C . 52170 1
233 . 1 . 1 20 20 TYR CA C 13 58.6780 0.1 . 1 . . . . . 20 TYR CA . 52170 1
234 . 1 . 1 20 20 TYR CB C 13 37.8580 0.1 . 1 . . . . . 20 TYR CB . 52170 1
235 . 1 . 1 20 20 TYR CD1 C 13 133.4950 0.1 . 3 . . . . . 20 TYR CD1 . 52170 1
236 . 1 . 1 20 20 TYR CD2 C 13 133.4950 0.1 . 3 . . . . . 20 TYR CD2 . 52170 1
237 . 1 . 1 20 20 TYR CE1 C 13 117.5760 0.1 . 3 . . . . . 20 TYR CE1 . 52170 1
238 . 1 . 1 20 20 TYR CE2 C 13 117.5760 0.1 . 3 . . . . . 20 TYR CE2 . 52170 1
239 . 1 . 1 20 20 TYR N N 15 124.0910 0.2 . 1 . . . . . 20 TYR N . 52170 1
240 . 1 . 1 21 21 LEU H H 1 8.1650 0.02 . 1 . . . . . 21 LEU HN . 52170 1
241 . 1 . 1 21 21 LEU HA H 1 4.9020 0.02 . 1 . . . . . 21 LEU HA . 52170 1
242 . 1 . 1 21 21 LEU HB2 H 1 1.2400 0.02 . 2 . . . . . 21 LEU HB1 . 52170 1
243 . 1 . 1 21 21 LEU HB3 H 1 1.8590 0.02 . 2 . . . . . 21 LEU HB2 . 52170 1
244 . 1 . 1 21 21 LEU HG H 1 1.7580 0.02 . 1 . . . . . 21 LEU HG . 52170 1
245 . 1 . 1 21 21 LEU HD11 H 1 0.5830 0.02 . 2 . . . . . 21 LEU HD11 . 52170 1
246 . 1 . 1 21 21 LEU HD12 H 1 0.5830 0.02 . 2 . . . . . 21 LEU HD11 . 52170 1
247 . 1 . 1 21 21 LEU HD13 H 1 0.5830 0.02 . 2 . . . . . 21 LEU HD11 . 52170 1
248 . 1 . 1 21 21 LEU HD21 H 1 0.6050 0.02 . 2 . . . . . 21 LEU HD21 . 52170 1
249 . 1 . 1 21 21 LEU HD22 H 1 0.6050 0.02 . 2 . . . . . 21 LEU HD21 . 52170 1
250 . 1 . 1 21 21 LEU HD23 H 1 0.6050 0.02 . 2 . . . . . 21 LEU HD21 . 52170 1
251 . 1 . 1 21 21 LEU C C 13 178.2970 0.1 . 1 . . . . . 21 LEU C . 52170 1
252 . 1 . 1 21 21 LEU CA C 13 54.2670 0.1 . 1 . . . . . 21 LEU CA . 52170 1
253 . 1 . 1 21 21 LEU CB C 13 42.0850 0.1 . 1 . . . . . 21 LEU CB . 52170 1
254 . 1 . 1 21 21 LEU CG C 13 27.2710 0.1 . 1 . . . . . 21 LEU CG . 52170 1
255 . 1 . 1 21 21 LEU CD1 C 13 24.3420 0.1 . 2 . . . . . 21 LEU CD1 . 52170 1
256 . 1 . 1 21 21 LEU CD2 C 13 23.6930 0.1 . 2 . . . . . 21 LEU CD2 . 52170 1
257 . 1 . 1 21 21 LEU N N 15 121.6160 0.2 . 1 . . . . . 21 LEU N . 52170 1
258 . 1 . 1 22 22 ASP H H 1 8.8530 0.02 . 1 . . . . . 22 ASP HN . 52170 1
259 . 1 . 1 22 22 ASP HA H 1 4.9170 0.02 . 1 . . . . . 22 ASP HA . 52170 1
260 . 1 . 1 22 22 ASP HB2 H 1 2.3320 0.02 . 2 . . . . . 22 ASP HB1 . 52170 1
261 . 1 . 1 22 22 ASP HB3 H 1 2.9700 0.02 . 2 . . . . . 22 ASP HB2 . 52170 1
262 . 1 . 1 22 22 ASP C C 13 174.0310 0.1 . 1 . . . . . 22 ASP C . 52170 1
263 . 1 . 1 22 22 ASP CA C 13 52.4630 0.1 . 1 . . . . . 22 ASP CA . 52170 1
264 . 1 . 1 22 22 ASP CB C 13 39.3800 0.1 . 1 . . . . . 22 ASP CB . 52170 1
265 . 1 . 1 22 22 ASP N N 15 124.6130 0.2 . 1 . . . . . 22 ASP N . 52170 1
266 . 1 . 1 23 23 PHE H H 1 7.4570 0.02 . 1 . . . . . 23 PHE HN . 52170 1
267 . 1 . 1 23 23 PHE HA H 1 4.6130 0.02 . 1 . . . . . 23 PHE HA . 52170 1
268 . 1 . 1 23 23 PHE HB2 H 1 2.3770 0.02 . 2 . . . . . 23 PHE HB1 . 52170 1
269 . 1 . 1 23 23 PHE HB3 H 1 3.3710 0.02 . 2 . . . . . 23 PHE HB2 . 52170 1
270 . 1 . 1 23 23 PHE HD1 H 1 6.6660 0.02 . 3 . . . . . 23 PHE HD1 . 52170 1
271 . 1 . 1 23 23 PHE HD2 H 1 6.6660 0.02 . 3 . . . . . 23 PHE HD2 . 52170 1
272 . 1 . 1 23 23 PHE HE1 H 1 6.6290 0.02 . 3 . . . . . 23 PHE HE1 . 52170 1
273 . 1 . 1 23 23 PHE HE2 H 1 6.6290 0.02 . 3 . . . . . 23 PHE HE2 . 52170 1
274 . 1 . 1 23 23 PHE HZ H 1 6.8270 0.02 . 1 . . . . . 23 PHE HZ . 52170 1
275 . 1 . 1 23 23 PHE C C 13 175.7070 0.1 . 1 . . . . . 23 PHE C . 52170 1
276 . 1 . 1 23 23 PHE CA C 13 57.9520 0.1 . 1 . . . . . 23 PHE CA . 52170 1
277 . 1 . 1 23 23 PHE CB C 13 41.9020 0.1 . 1 . . . . . 23 PHE CB . 52170 1
278 . 1 . 1 23 23 PHE CD1 C 13 131.2250 0.1 . 3 . . . . . 23 PHE CD1 . 52170 1
279 . 1 . 1 23 23 PHE CD2 C 13 131.2250 0.1 . 3 . . . . . 23 PHE CD2 . 52170 1
280 . 1 . 1 23 23 PHE CE1 C 13 131.0560 0.1 . 3 . . . . . 23 PHE CE1 . 52170 1
281 . 1 . 1 23 23 PHE CE2 C 13 131.0560 0.1 . 3 . . . . . 23 PHE CE2 . 52170 1
282 . 1 . 1 23 23 PHE CZ C 13 129.8800 0.1 . 1 . . . . . 23 PHE CZ . 52170 1
283 . 1 . 1 23 23 PHE N N 15 120.9130 0.2 . 1 . . . . . 23 PHE N . 52170 1
284 . 1 . 1 24 24 GLY H H 1 8.5920 0.02 . 1 . . . . . 24 GLY HN . 52170 1
285 . 1 . 1 24 24 GLY HA2 H 1 3.3820 0.02 . 2 . . . . . 24 GLY HA1 . 52170 1
286 . 1 . 1 24 24 GLY HA3 H 1 3.4410 0.02 . 2 . . . . . 24 GLY HA2 . 52170 1
287 . 1 . 1 24 24 GLY C C 13 174.3760 0.1 . 1 . . . . . 24 GLY C . 52170 1
288 . 1 . 1 24 24 GLY CA C 13 47.0530 0.1 . 1 . . . . . 24 GLY CA . 52170 1
289 . 1 . 1 24 24 GLY N N 15 117.9630 0.2 . 1 . . . . . 24 GLY N . 52170 1
290 . 1 . 1 25 25 ASP H H 1 8.5450 0.02 . 1 . . . . . 25 ASP HN . 52170 1
291 . 1 . 1 25 25 ASP HA H 1 4.5150 0.02 . 1 . . . . . 25 ASP HA . 52170 1
292 . 1 . 1 25 25 ASP HB2 H 1 2.7710 0.02 . 2 . . . . . 25 ASP HB1 . 52170 1
293 . 1 . 1 25 25 ASP HB3 H 1 3.2410 0.02 . 2 . . . . . 25 ASP HB2 . 52170 1
294 . 1 . 1 25 25 ASP C C 13 177.4420 0.1 . 1 . . . . . 25 ASP C . 52170 1
295 . 1 . 1 25 25 ASP CA C 13 53.6070 0.1 . 1 . . . . . 25 ASP CA . 52170 1
296 . 1 . 1 25 25 ASP CB C 13 39.9280 0.1 . 1 . . . . . 25 ASP CB . 52170 1
297 . 1 . 1 25 25 ASP N N 15 126.6150 0.2 . 1 . . . . . 25 ASP N . 52170 1
298 . 1 . 1 26 26 GLY H H 1 8.5140 0.02 . 1 . . . . . 26 GLY HN . 52170 1
299 . 1 . 1 26 26 GLY HA2 H 1 4.3810 0.02 . 2 . . . . . 26 GLY HA1 . 52170 1
300 . 1 . 1 26 26 GLY HA3 H 1 4.2840 0.02 . 2 . . . . . 26 GLY HA2 . 52170 1
301 . 1 . 1 26 26 GLY C C 13 176.6930 0.1 . 1 . . . . . 26 GLY C . 52170 1
302 . 1 . 1 26 26 GLY CA C 13 46.6700 0.1 . 1 . . . . . 26 GLY CA . 52170 1
303 . 1 . 1 26 26 GLY N N 15 107.1850 0.2 . 1 . . . . . 26 GLY N . 52170 1
304 . 1 . 1 27 27 ARG H H 1 8.3130 0.02 . 1 . . . . . 27 ARG HN . 52170 1
305 . 1 . 1 27 27 ARG HA H 1 4.5280 0.02 . 1 . . . . . 27 ARG HA . 52170 1
306 . 1 . 1 27 27 ARG HB2 H 1 1.3510 0.02 . 2 . . . . . 27 ARG HB1 . 52170 1
307 . 1 . 1 27 27 ARG HB3 H 1 1.8670 0.02 . 2 . . . . . 27 ARG HB2 . 52170 1
308 . 1 . 1 27 27 ARG HG2 H 1 1.3100 0.02 . 2 . . . . . 27 ARG HG1 . 52170 1
309 . 1 . 1 27 27 ARG HG3 H 1 1.4130 0.02 . 2 . . . . . 27 ARG HG2 . 52170 1
310 . 1 . 1 27 27 ARG HD2 H 1 3.0310 0.02 . 2 . . . . . 27 ARG HD1 . 52170 1
311 . 1 . 1 27 27 ARG HD3 H 1 3.0310 0.02 . 2 . . . . . 27 ARG HD2 . 52170 1
312 . 1 . 1 27 27 ARG HE H 1 6.8820 0.02 . 1 . . . . . 27 ARG HE . 52170 1
313 . 1 . 1 27 27 ARG C C 13 175.9440 0.1 . 1 . . . . . 27 ARG C . 52170 1
314 . 1 . 1 27 27 ARG CA C 13 55.4670 0.1 . 1 . . . . . 27 ARG CA . 52170 1
315 . 1 . 1 27 27 ARG CB C 13 29.0870 0.1 . 1 . . . . . 27 ARG CB . 52170 1
316 . 1 . 1 27 27 ARG CG C 13 27.2100 0.1 . 1 . . . . . 27 ARG CG . 52170 1
317 . 1 . 1 27 27 ARG CD C 13 43.4380 0.1 . 1 . . . . . 27 ARG CD . 52170 1
318 . 1 . 1 27 27 ARG N N 15 119.1120 0.2 . 1 . . . . . 27 ARG N . 52170 1
319 . 1 . 1 27 27 ARG NE N 15 84.8460 0.2 . 1 . . . . . 27 ARG NE . 52170 1
320 . 1 . 1 28 28 TRP H H 1 9.7570 0.02 . 1 . . . . . 28 TRP HN . 52170 1
321 . 1 . 1 28 28 TRP HA H 1 5.0150 0.02 . 1 . . . . . 28 TRP HA . 52170 1
322 . 1 . 1 28 28 TRP HB2 H 1 2.9320 0.02 . 2 . . . . . 28 TRP HB1 . 52170 1
323 . 1 . 1 28 28 TRP HB3 H 1 3.7110 0.02 . 2 . . . . . 28 TRP HB2 . 52170 1
324 . 1 . 1 28 28 TRP HD1 H 1 7.4160 0.02 . 1 . . . . . 28 TRP HD1 . 52170 1
325 . 1 . 1 28 28 TRP HE1 H 1 10.8100 0.02 . 1 . . . . . 28 TRP HE1 . 52170 1
326 . 1 . 1 28 28 TRP HE3 H 1 7.2850 0.02 . 1 . . . . . 28 TRP HE3 . 52170 1
327 . 1 . 1 28 28 TRP HZ2 H 1 7.4500 0.02 . 1 . . . . . 28 TRP HZ2 . 52170 1
328 . 1 . 1 28 28 TRP HZ3 H 1 7.1790 0.02 . 1 . . . . . 28 TRP HZ3 . 52170 1
329 . 1 . 1 28 28 TRP HH2 H 1 7.3140 0.02 . 1 . . . . . 28 TRP HH2 . 52170 1
330 . 1 . 1 28 28 TRP C C 13 176.0160 0.1 . 1 . . . . . 28 TRP C . 52170 1
331 . 1 . 1 28 28 TRP CA C 13 57.5250 0.1 . 1 . . . . . 28 TRP CA . 52170 1
332 . 1 . 1 28 28 TRP CB C 13 29.0270 0.1 . 1 . . . . . 28 TRP CB . 52170 1
333 . 1 . 1 28 28 TRP CD1 C 13 127.4300 0.1 . 1 . . . . . 28 TRP CD1 . 52170 1
334 . 1 . 1 28 28 TRP CE3 C 13 119.3520 0.1 . 1 . . . . . 28 TRP CE3 . 52170 1
335 . 1 . 1 28 28 TRP CZ2 C 13 114.7890 0.1 . 1 . . . . . 28 TRP CZ2 . 52170 1
336 . 1 . 1 28 28 TRP CZ3 C 13 121.9690 0.1 . 1 . . . . . 28 TRP CZ3 . 52170 1
337 . 1 . 1 28 28 TRP CH2 C 13 124.8860 0.1 . 1 . . . . . 28 TRP CH2 . 52170 1
338 . 1 . 1 28 28 TRP N N 15 123.7800 0.2 . 1 . . . . . 28 TRP N . 52170 1
339 . 1 . 1 28 28 TRP NE1 N 15 131.2130 0.2 . 1 . . . . . 28 TRP NE1 . 52170 1
340 . 1 . 1 29 29 VAL H H 1 8.7960 0.02 . 1 . . . . . 29 VAL HN . 52170 1
341 . 1 . 1 29 29 VAL HA H 1 5.2070 0.02 . 1 . . . . . 29 VAL HA . 52170 1
342 . 1 . 1 29 29 VAL HB H 1 1.4040 0.02 . 1 . . . . . 29 VAL HB . 52170 1
343 . 1 . 1 29 29 VAL HG11 H 1 -0.2260 0.02 . 2 . . . . . 29 VAL HG11 . 52170 1
344 . 1 . 1 29 29 VAL HG12 H 1 -0.2260 0.02 . 2 . . . . . 29 VAL HG11 . 52170 1
345 . 1 . 1 29 29 VAL HG13 H 1 -0.2260 0.02 . 2 . . . . . 29 VAL HG11 . 52170 1
346 . 1 . 1 29 29 VAL HG21 H 1 0.0610 0.02 . 2 . . . . . 29 VAL HG21 . 52170 1
347 . 1 . 1 29 29 VAL HG22 H 1 0.0610 0.02 . 2 . . . . . 29 VAL HG21 . 52170 1
348 . 1 . 1 29 29 VAL HG23 H 1 0.0610 0.02 . 2 . . . . . 29 VAL HG21 . 52170 1
349 . 1 . 1 29 29 VAL C C 13 173.4020 0.1 . 1 . . . . . 29 VAL C . 52170 1
350 . 1 . 1 29 29 VAL CA C 13 57.8090 0.1 . 1 . . . . . 29 VAL CA . 52170 1
351 . 1 . 1 29 29 VAL CB C 13 35.1150 0.1 . 1 . . . . . 29 VAL CB . 52170 1
352 . 1 . 1 29 29 VAL CG1 C 13 17.7140 0.1 . 2 . . . . . 29 VAL CG1 . 52170 1
353 . 1 . 1 29 29 VAL CG2 C 13 21.6180 0.1 . 2 . . . . . 29 VAL CG2 . 52170 1
354 . 1 . 1 29 29 VAL N N 15 114.8990 0.2 . 1 . . . . . 29 VAL N . 52170 1
355 . 1 . 1 30 30 ALA H H 1 8.8760 0.02 . 1 . . . . . 30 ALA HN . 52170 1
356 . 1 . 1 30 30 ALA HA H 1 5.4710 0.02 . 1 . . . . . 30 ALA HA . 52170 1
357 . 1 . 1 30 30 ALA HB1 H 1 1.5250 0.02 . 1 . . . . . 30 ALA HB1 . 52170 1
358 . 1 . 1 30 30 ALA HB2 H 1 1.5250 0.02 . 1 . . . . . 30 ALA HB1 . 52170 1
359 . 1 . 1 30 30 ALA HB3 H 1 1.5250 0.02 . 1 . . . . . 30 ALA HB1 . 52170 1
360 . 1 . 1 30 30 ALA C C 13 176.2890 0.1 . 1 . . . . . 30 ALA C . 52170 1
361 . 1 . 1 30 30 ALA CA C 13 49.6980 0.1 . 1 . . . . . 30 ALA CA . 52170 1
362 . 1 . 1 30 30 ALA CB C 13 22.4360 0.1 . 1 . . . . . 30 ALA CB . 52170 1
363 . 1 . 1 30 30 ALA N N 15 121.3160 0.2 . 1 . . . . . 30 ALA N . 52170 1
364 . 1 . 1 31 31 GLN H H 1 8.9890 0.02 . 1 . . . . . 31 GLN HN . 52170 1
365 . 1 . 1 31 31 GLN HA H 1 5.5750 0.02 . 1 . . . . . 31 GLN HA . 52170 1
366 . 1 . 1 31 31 GLN HB2 H 1 1.7300 0.02 . 2 . . . . . 31 GLN HB1 . 52170 1
367 . 1 . 1 31 31 GLN HB3 H 1 2.0520 0.02 . 2 . . . . . 31 GLN HB2 . 52170 1
368 . 1 . 1 31 31 GLN HG2 H 1 2.3610 0.02 . 2 . . . . . 31 GLN HG1 . 52170 1
369 . 1 . 1 31 31 GLN HG3 H 1 2.3610 0.02 . 2 . . . . . 31 GLN HG2 . 52170 1
370 . 1 . 1 31 31 GLN HE21 H 1 6.9100 0.02 . 2 . . . . . 31 GLN HE21 . 52170 1
371 . 1 . 1 31 31 GLN HE22 H 1 7.5980 0.02 . 2 . . . . . 31 GLN HE22 . 52170 1
372 . 1 . 1 31 31 GLN C C 13 174.7440 0.1 . 1 . . . . . 31 GLN C . 52170 1
373 . 1 . 1 31 31 GLN CA C 13 54.3710 0.1 . 1 . . . . . 31 GLN CA . 52170 1
374 . 1 . 1 31 31 GLN CB C 13 35.6540 0.1 . 1 . . . . . 31 GLN CB . 52170 1
375 . 1 . 1 31 31 GLN CG C 13 35.3670 0.1 . 1 . . . . . 31 GLN CG . 52170 1
376 . 1 . 1 31 31 GLN N N 15 121.2370 0.2 . 1 . . . . . 31 GLN N . 52170 1
377 . 1 . 1 31 31 GLN NE2 N 15 111.7680 0.2 . 1 . . . . . 31 GLN NE2 . 52170 1
378 . 1 . 1 32 32 TRP H H 1 8.1240 0.02 . 1 . . . . . 32 TRP HN . 52170 1
379 . 1 . 1 32 32 TRP HA H 1 5.2780 0.02 . 1 . . . . . 32 TRP HA . 52170 1
380 . 1 . 1 32 32 TRP HB2 H 1 3.3280 0.02 . 2 . . . . . 32 TRP HB1 . 52170 1
381 . 1 . 1 32 32 TRP HB3 H 1 3.6330 0.02 . 2 . . . . . 32 TRP HB2 . 52170 1
382 . 1 . 1 32 32 TRP HD1 H 1 6.2860 0.02 . 1 . . . . . 32 TRP HD1 . 52170 1
383 . 1 . 1 32 32 TRP HE3 H 1 7.3550 0.02 . 1 . . . . . 32 TRP HE3 . 52170 1
384 . 1 . 1 32 32 TRP HZ2 H 1 6.3500 0.02 . 1 . . . . . 32 TRP HZ2 . 52170 1
385 . 1 . 1 32 32 TRP HZ3 H 1 6.8908 0.02 . 1 . . . . . 32 TRP HZ3 . 52170 1
386 . 1 . 1 32 32 TRP HH2 H 1 6.9440 0.02 . 1 . . . . . 32 TRP HH2 . 52170 1
387 . 1 . 1 32 32 TRP C C 13 173.0330 0.1 . 1 . . . . . 32 TRP C . 52170 1
388 . 1 . 1 32 32 TRP CA C 13 56.3800 0.1 . 1 . . . . . 32 TRP CA . 52170 1
389 . 1 . 1 32 32 TRP CB C 13 31.7800 0.1 . 1 . . . . . 32 TRP CB . 52170 1
390 . 1 . 1 32 32 TRP CD1 C 13 128.6840 0.1 . 1 . . . . . 32 TRP CD1 . 52170 1
391 . 1 . 1 32 32 TRP CE3 C 13 121.4850 0.1 . 1 . . . . . 32 TRP CE3 . 52170 1
392 . 1 . 1 32 32 TRP CZ2 C 13 113.5510 0.1 . 1 . . . . . 32 TRP CZ2 . 52170 1
393 . 1 . 1 32 32 TRP CZ3 C 13 123.0290 0.1 . 1 . . . . . 32 TRP CZ3 . 52170 1
394 . 1 . 1 32 32 TRP CH2 C 13 122.9530 0.1 . 1 . . . . . 32 TRP CH2 . 52170 1
395 . 1 . 1 32 32 TRP N N 15 123.0540 0.2 . 1 . . . . . 32 TRP N . 52170 1
396 . 1 . 1 33 33 ASP H H 1 8.6010 0.02 . 1 . . . . . 33 ASP HN . 52170 1
397 . 1 . 1 33 33 ASP HA H 1 5.0670 0.02 . 1 . . . . . 33 ASP HA . 52170 1
398 . 1 . 1 33 33 ASP HB2 H 1 2.6830 0.02 . 2 . . . . . 33 ASP HB1 . 52170 1
399 . 1 . 1 33 33 ASP HB3 H 1 2.9260 0.02 . 2 . . . . . 33 ASP HB2 . 52170 1
400 . 1 . 1 33 33 ASP C C 13 176.3010 0.1 . 1 . . . . . 33 ASP C . 52170 1
401 . 1 . 1 33 33 ASP CA C 13 54.9660 0.1 . 1 . . . . . 33 ASP CA . 52170 1
402 . 1 . 1 33 33 ASP CB C 13 42.2580 0.1 . 1 . . . . . 33 ASP CB . 52170 1
403 . 1 . 1 33 33 ASP N N 15 120.0490 0.2 . 1 . . . . . 33 ASP N . 52170 1
404 . 1 . 1 34 34 THR H H 1 8.2260 0.02 . 1 . . . . . 34 THR HN . 52170 1
405 . 1 . 1 34 34 THR HA H 1 5.1040 0.02 . 1 . . . . . 34 THR HA . 52170 1
406 . 1 . 1 34 34 THR HB H 1 4.0290 0.02 . 1 . . . . . 34 THR HB . 52170 1
407 . 1 . 1 34 34 THR HG21 H 1 0.8960 0.02 . 1 . . . . . 34 THR HG21 . 52170 1
408 . 1 . 1 34 34 THR HG22 H 1 0.8960 0.02 . 1 . . . . . 34 THR HG21 . 52170 1
409 . 1 . 1 34 34 THR HG23 H 1 0.8960 0.02 . 1 . . . . . 34 THR HG21 . 52170 1
410 . 1 . 1 34 34 THR C C 13 172.8790 0.1 . 1 . . . . . 34 THR C . 52170 1
411 . 1 . 1 34 34 THR CA C 13 60.6590 0.1 . 1 . . . . . 34 THR CA . 52170 1
412 . 1 . 1 34 34 THR CB C 13 71.5600 0.1 . 1 . . . . . 34 THR CB . 52170 1
413 . 1 . 1 34 34 THR CG2 C 13 23.1740 0.1 . 1 . . . . . 34 THR CG2 . 52170 1
414 . 1 . 1 34 34 THR N N 15 112.3790 0.2 . 1 . . . . . 34 THR N . 52170 1
415 . 1 . 1 35 35 ASN H H 1 8.8240 0.02 . 1 . . . . . 35 ASN HN . 52170 1
416 . 1 . 1 35 35 ASN HA H 1 5.2820 0.02 . 1 . . . . . 35 ASN HA . 52170 1
417 . 1 . 1 35 35 ASN HB2 H 1 2.9410 0.02 . 2 . . . . . 35 ASN HB1 . 52170 1
418 . 1 . 1 35 35 ASN HB3 H 1 2.9410 0.02 . 2 . . . . . 35 ASN HB2 . 52170 1
419 . 1 . 1 35 35 ASN HD21 H 1 7.0010 0.02 . 2 . . . . . 35 ASN HD21 . 52170 1
420 . 1 . 1 35 35 ASN HD22 H 1 7.6210 0.02 . 2 . . . . . 35 ASN HD22 . 52170 1
421 . 1 . 1 35 35 ASN C C 13 175.7540 0.1 . 1 . . . . . 35 ASN C . 52170 1
422 . 1 . 1 35 35 ASN CA C 13 52.7910 0.1 . 1 . . . . . 35 ASN CA . 52170 1
423 . 1 . 1 35 35 ASN CB C 13 40.4190 0.1 . 1 . . . . . 35 ASN CB . 52170 1
424 . 1 . 1 35 35 ASN N N 15 119.4670 0.2 . 1 . . . . . 35 ASN N . 52170 1
425 . 1 . 1 35 35 ASN ND2 N 15 112.5920 0.2 . 1 . . . . . 35 ASN ND2 . 52170 1
426 . 1 . 1 36 36 VAL H H 1 7.8990 0.02 . 1 . . . . . 36 VAL HN . 52170 1
427 . 1 . 1 36 36 VAL HA H 1 5.4820 0.02 . 1 . . . . . 36 VAL HA . 52170 1
428 . 1 . 1 36 36 VAL HB H 1 1.7710 0.02 . 1 . . . . . 36 VAL HB . 52170 1
429 . 1 . 1 36 36 VAL HG11 H 1 0.7430 0.02 . 2 . . . . . 36 VAL HG11 . 52170 1
430 . 1 . 1 36 36 VAL HG12 H 1 0.7430 0.02 . 2 . . . . . 36 VAL HG11 . 52170 1
431 . 1 . 1 36 36 VAL HG13 H 1 0.7430 0.02 . 2 . . . . . 36 VAL HG11 . 52170 1
432 . 1 . 1 36 36 VAL HG21 H 1 0.9140 0.02 . 2 . . . . . 36 VAL HG21 . 52170 1
433 . 1 . 1 36 36 VAL HG22 H 1 0.9140 0.02 . 2 . . . . . 36 VAL HG21 . 52170 1
434 . 1 . 1 36 36 VAL HG23 H 1 0.9140 0.02 . 2 . . . . . 36 VAL HG21 . 52170 1
435 . 1 . 1 36 36 VAL C C 13 175.2910 0.1 . 1 . . . . . 36 VAL C . 52170 1
436 . 1 . 1 36 36 VAL CA C 13 61.3410 0.1 . 1 . . . . . 36 VAL CA . 52170 1
437 . 1 . 1 36 36 VAL CB C 13 33.9290 0.1 . 1 . . . . . 36 VAL CB . 52170 1
438 . 1 . 1 36 36 VAL CG1 C 13 21.6480 0.1 . 2 . . . . . 36 VAL CG1 . 52170 1
439 . 1 . 1 36 36 VAL CG2 C 13 20.8050 0.1 . 2 . . . . . 36 VAL CG2 . 52170 1
440 . 1 . 1 36 36 VAL N N 15 124.6980 0.2 . 1 . . . . . 36 VAL N . 52170 1
441 . 1 . 1 37 37 PHE H H 1 8.8930 0.02 . 1 . . . . . 37 PHE HN . 52170 1
442 . 1 . 1 37 37 PHE HA H 1 5.1280 0.02 . 1 . . . . . 37 PHE HA . 52170 1
443 . 1 . 1 37 37 PHE HB2 H 1 3.0210 0.02 . 2 . . . . . 37 PHE HB1 . 52170 1
444 . 1 . 1 37 37 PHE HB3 H 1 3.3000 0.02 . 2 . . . . . 37 PHE HB2 . 52170 1
445 . 1 . 1 37 37 PHE HD1 H 1 6.7940 0.02 . 3 . . . . . 37 PHE HD1 . 52170 1
446 . 1 . 1 37 37 PHE HD2 H 1 6.7940 0.02 . 3 . . . . . 37 PHE HD2 . 52170 1
447 . 1 . 1 37 37 PHE HE1 H 1 7.0070 0.02 . 3 . . . . . 37 PHE HE1 . 52170 1
448 . 1 . 1 37 37 PHE HE2 H 1 7.0070 0.02 . 3 . . . . . 37 PHE HE2 . 52170 1
449 . 1 . 1 37 37 PHE HZ H 1 6.9270 0.02 . 1 . . . . . 37 PHE HZ . 52170 1
450 . 1 . 1 37 37 PHE C C 13 171.5360 0.1 . 1 . . . . . 37 PHE C . 52170 1
451 . 1 . 1 37 37 PHE CA C 13 56.1520 0.1 . 1 . . . . . 37 PHE CA . 52170 1
452 . 1 . 1 37 37 PHE CB C 13 40.4130 0.1 . 1 . . . . . 37 PHE CB . 52170 1
453 . 1 . 1 37 37 PHE CD1 C 13 132.4000 0.1 . 3 . . . . . 37 PHE CD1 . 52170 1
454 . 1 . 1 37 37 PHE CD2 C 13 132.4000 0.1 . 3 . . . . . 37 PHE CD2 . 52170 1
455 . 1 . 1 37 37 PHE CE1 C 13 130.8520 0.1 . 3 . . . . . 37 PHE CE1 . 52170 1
456 . 1 . 1 37 37 PHE CE2 C 13 130.8520 0.1 . 3 . . . . . 37 PHE CE2 . 52170 1
457 . 1 . 1 37 37 PHE CZ C 13 129.4120 0.1 . 1 . . . . . 37 PHE CZ . 52170 1
458 . 1 . 1 37 37 PHE N N 15 122.5430 0.2 . 1 . . . . . 37 PHE N . 52170 1
459 . 1 . 1 38 38 HIS H H 1 8.5960 0.02 . 1 . . . . . 38 HIS HN . 52170 1
460 . 1 . 1 38 38 HIS HA H 1 4.0530 0.02 . 1 . . . . . 38 HIS HA . 52170 1
461 . 1 . 1 38 38 HIS HB2 H 1 0.6780 0.02 . 2 . . . . . 38 HIS HB1 . 52170 1
462 . 1 . 1 38 38 HIS HB3 H 1 2.4110 0.02 . 2 . . . . . 38 HIS HB2 . 52170 1
463 . 1 . 1 38 38 HIS HD2 H 1 5.5960 0.02 . 1 . . . . . 38 HIS HD2 . 52170 1
464 . 1 . 1 38 38 HIS HE1 H 1 8.2180 0.02 . 1 . . . . . 38 HIS HE1 . 52170 1
465 . 1 . 1 38 38 HIS C C 13 174.9700 0.1 . 1 . . . . . 38 HIS C . 52170 1
466 . 1 . 1 38 38 HIS CA C 13 54.8950 0.1 . 1 . . . . . 38 HIS CA . 52170 1
467 . 1 . 1 38 38 HIS CB C 13 28.4580 0.1 . 1 . . . . . 38 HIS CB . 52170 1
468 . 1 . 1 38 38 HIS CD2 C 13 119.0690 0.1 . 1 . . . . . 38 HIS CD2 . 52170 1
469 . 1 . 1 38 38 HIS CE1 C 13 135.4720 0.1 . 1 . . . . . 38 HIS CE1 . 52170 1
470 . 1 . 1 38 38 HIS N N 15 121.0250 0.2 . 1 . . . . . 38 HIS N . 52170 1
471 . 1 . 1 39 39 THR H H 1 8.0570 0.02 . 1 . . . . . 39 THR HN . 52170 1
472 . 1 . 1 39 39 THR HA H 1 4.3750 0.02 . 1 . . . . . 39 THR HA . 52170 1
473 . 1 . 1 39 39 THR HB H 1 4.1910 0.02 . 1 . . . . . 39 THR HB . 52170 1
474 . 1 . 1 39 39 THR HG21 H 1 1.0750 0.02 . 1 . . . . . 39 THR HG21 . 52170 1
475 . 1 . 1 39 39 THR HG22 H 1 1.0750 0.02 . 1 . . . . . 39 THR HG21 . 52170 1
476 . 1 . 1 39 39 THR HG23 H 1 1.0750 0.02 . 1 . . . . . 39 THR HG21 . 52170 1
477 . 1 . 1 39 39 THR C C 13 173.2950 0.1 . 1 . . . . . 39 THR C . 52170 1
478 . 1 . 1 39 39 THR CA C 13 61.6400 0.1 . 1 . . . . . 39 THR CA . 52170 1
479 . 1 . 1 39 39 THR CB C 13 70.6940 0.1 . 1 . . . . . 39 THR CB . 52170 1
480 . 1 . 1 39 39 THR CG2 C 13 22.0730 0.1 . 1 . . . . . 39 THR CG2 . 52170 1
481 . 1 . 1 39 39 THR N N 15 119.4510 0.2 . 1 . . . . . 39 THR N . 52170 1
482 . 1 . 1 40 40 GLY H H 1 7.7180 0.02 . 1 . . . . . 40 GLY HN . 52170 1
483 . 1 . 1 40 40 GLY HA2 H 1 3.6510 0.02 . 2 . . . . . 40 GLY HA1 . 52170 1
484 . 1 . 1 40 40 GLY HA3 H 1 3.6510 0.02 . 2 . . . . . 40 GLY HA2 . 52170 1
485 . 1 . 1 40 40 GLY C C 13 179.2710 0.1 . 1 . . . . . 40 GLY C . 52170 1
486 . 1 . 1 40 40 GLY CA C 13 46.1490 0.1 . 1 . . . . . 40 GLY CA . 52170 1
487 . 1 . 1 40 40 GLY N N 15 113.7960 0.2 . 1 . . . . . 40 GLY N . 52170 1
stop_
save_