Content for NMR-STAR saveframe, "assigned_chem_shift_list"
save_assigned_chem_shift_list
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list
_Assigned_chem_shift_list.Entry_ID 25735
_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 'Origin nmrStar file /ebi/msd/pdb_root/Processing/prepare/5aas/ebi/taxbp1.nmr_2.data.csh'
_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 NOESY 1 $sample_1 solution 25735 1
2 TOCSY 1 $sample_1 solution 25735 1
3 DQF-COSY 1 $sample_1 solution 25735 1
4 HSQC 1 $sample_1 solution 25735 1
5 HNCACB 1 $sample_1 solution 25735 1
6 CBCACONH 1 $sample_1 solution 25735 1
7 HNCO 1 $sample_1 solution 25735 1
8 HNCACO 1 $sample_1 solution 25735 1
9 HNHB 1 $sample_1 solution 25735 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
3 $CNS 1 $CNS 25735 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 4 4 PHE H H 1 8.165 0.01 . 1 . 1 . . 4 PHE H . 25735 1
2 . 1 1 4 4 PHE HA H 1 4.602 0.01 . 1 . 3 . . 4 PHE HA . 25735 1
3 . 1 1 4 4 PHE HB2 H 1 2.896 0.01 . 2 . 6 . . 4 PHE HB2 . 25735 1
4 . 1 1 4 4 PHE HB3 H 1 3.153 0.01 . 2 . 7 . . 4 PHE HB3 . 25735 1
5 . 1 1 4 4 PHE HD1 H 1 7.170 0.01 . 1 . 9 . . 4 PHE HD1 . 25735 1
6 . 1 1 4 4 PHE HD2 H 1 7.170 0.01 . 1 . 10 . . 4 PHE HD2 . 25735 1
7 . 1 1 4 4 PHE HE1 H 1 7.273 0.01 . 1 . 11 . . 4 PHE HE1 . 25735 1
8 . 1 1 4 4 PHE HE2 H 1 7.273 0.01 . 1 . 12 . . 4 PHE HE2 . 25735 1
9 . 1 1 4 4 PHE HZ H 1 7.215 0.01 . 1 . 8 . . 4 PHE HZ . 25735 1
10 . 1 1 4 4 PHE C C 13 175.340 0.10 . 1 . 4 . . 4 PHE C . 25735 1
11 . 1 1 4 4 PHE CA C 13 57.330 0.10 . 1 . 2 . . 4 PHE CA . 25735 1
12 . 1 1 4 4 PHE CB C 13 39.170 0.10 . 1 . 5 . . 4 PHE CB . 25735 1
13 . 1 1 5 5 ASP H H 1 8.159 0.01 . 1 . 14 . . 5 ASP H . 25735 1
14 . 1 1 5 5 ASP HA H 1 4.566 0.01 . 1 . 16 . . 5 ASP HA . 25735 1
15 . 1 1 5 5 ASP HB2 H 1 2.547 0.01 . 1 . 19 . . 5 ASP HB2 . 25735 1
16 . 1 1 5 5 ASP HB3 H 1 2.547 0.01 . 1 . 20 . . 5 ASP HB3 . 25735 1
17 . 1 1 5 5 ASP C C 13 175.620 0.10 . 1 . 17 . . 5 ASP C . 25735 1
18 . 1 1 5 5 ASP CA C 13 54.250 0.10 . 1 . 15 . . 5 ASP CA . 25735 1
19 . 1 1 5 5 ASP CB C 13 41.030 0.10 . 1 . 18 . . 5 ASP CB . 25735 1
20 . 1 1 5 5 ASP N N 15 121.250 0.10 . 1 . 13 . . 5 ASP N . 25735 1
21 . 1 1 6 6 VAL H H 1 7.890 0.01 . 1 . 22 . . 6 VAL H . 25735 1
22 . 1 1 6 6 VAL HA H 1 4.186 0.01 . 1 . 24 . . 6 VAL HA . 25735 1
23 . 1 1 6 6 VAL HB H 1 2.069 0.01 . 1 . 27 . . 6 VAL HB . 25735 1
24 . 1 1 6 6 VAL HG11 H 1 0.856 0.01 . 1 . 28 . . 6 VAL HG11 . 25735 1
25 . 1 1 6 6 VAL HG12 H 1 0.856 0.01 . 1 . 28 . . 6 VAL HG12 . 25735 1
26 . 1 1 6 6 VAL HG13 H 1 0.856 0.01 . 1 . 28 . . 6 VAL HG13 . 25735 1
27 . 1 1 6 6 VAL HG21 H 1 0.828 0.01 . 1 . 29 . . 6 VAL HG21 . 25735 1
28 . 1 1 6 6 VAL HG22 H 1 0.828 0.01 . 1 . 29 . . 6 VAL HG22 . 25735 1
29 . 1 1 6 6 VAL HG23 H 1 0.828 0.01 . 1 . 29 . . 6 VAL HG23 . 25735 1
30 . 1 1 6 6 VAL C C 13 175.590 0.10 . 1 . 25 . . 6 VAL C . 25735 1
31 . 1 1 6 6 VAL CA C 13 61.620 0.10 . 1 . 23 . . 6 VAL CA . 25735 1
32 . 1 1 6 6 VAL CB C 13 33.050 0.10 . 1 . 26 . . 6 VAL CB . 25735 1
33 . 1 1 6 6 VAL N N 15 117.940 0.10 . 1 . 21 . . 6 VAL N . 25735 1
34 . 1 1 7 7 HIS H H 1 8.231 0.01 . 1 . 31 . . 7 HIS H . 25735 1
35 . 1 1 7 7 HIS HA H 1 4.397 0.01 . 1 . 33 . . 7 HIS HA . 25735 1
36 . 1 1 7 7 HIS HB2 H 1 3.016 0.01 . 1 . 36 . . 7 HIS HB2 . 25735 1
37 . 1 1 7 7 HIS HB3 H 1 2.890 0.01 . 1 . 37 . . 7 HIS HB3 . 25735 1
38 . 1 1 7 7 HIS HD2 H 1 6.781 0.01 . 1 . 38 . . 7 HIS HD2 . 25735 1
39 . 1 1 7 7 HIS HE1 H 1 7.688 0.01 . 1 . 39 . . 7 HIS HE1 . 25735 1
40 . 1 1 7 7 HIS C C 13 174.890 0.10 . 1 . 34 . . 7 HIS C . 25735 1
41 . 1 1 7 7 HIS CA C 13 56.720 0.10 . 1 . 32 . . 7 HIS CA . 25735 1
42 . 1 1 7 7 HIS CB C 13 31.360 0.10 . 1 . 35 . . 7 HIS CB . 25735 1
43 . 1 1 7 7 HIS N N 15 122.350 0.10 . 1 . 30 . . 7 HIS N . 25735 1
44 . 1 1 8 8 LYS H H 1 8.546 0.01 . 1 . 41 . . 8 LYS H . 25735 1
45 . 1 1 8 8 LYS HA H 1 4.318 0.01 . 1 . 43 . . 8 LYS HA . 25735 1
46 . 1 1 8 8 LYS HB2 H 1 1.363 0.01 . 1 . 46 . . 8 LYS HB2 . 25735 1
47 . 1 1 8 8 LYS HB3 H 1 1.211 0.01 . 1 . 47 . . 8 LYS HB3 . 25735 1
48 . 1 1 8 8 LYS HG2 H 1 0.947 0.01 . 2 . 48 . . 8 LYS HG2 . 25735 1
49 . 1 1 8 8 LYS HG3 H 1 1.124 0.01 . 2 . 49 . . 8 LYS HG3 . 25735 1
50 . 1 1 8 8 LYS HD2 H 1 1.056 0.01 . 2 . 50 . . 8 LYS HD2 . 25735 1
51 . 1 1 8 8 LYS HD3 H 1 1.188 0.01 . 2 . 51 . . 8 LYS HD3 . 25735 1
52 . 1 1 8 8 LYS HE2 H 1 2.446 0.01 . 2 . 52 . . 8 LYS HE2 . 25735 1
53 . 1 1 8 8 LYS HE3 H 1 2.555 0.01 . 2 . 53 . . 8 LYS HE3 . 25735 1
54 . 1 1 8 8 LYS C C 13 174.340 0.10 . 1 . 44 . . 8 LYS C . 25735 1
55 . 1 1 8 8 LYS CA C 13 55.460 0.10 . 1 . 42 . . 8 LYS CA . 25735 1
56 . 1 1 8 8 LYS CB C 13 34.070 0.10 . 1 . 45 . . 8 LYS CB . 25735 1
57 . 1 1 8 8 LYS N N 15 122.430 0.10 . 1 . 40 . . 8 LYS N . 25735 1
58 . 1 1 9 9 LYS H H 1 8.443 0.01 . 1 . 55 . . 9 LYS H . 25735 1
59 . 1 1 9 9 LYS HA H 1 5.133 0.01 . 1 . 57 . . 9 LYS HA . 25735 1
60 . 1 1 9 9 LYS HB2 H 1 1.695 0.01 . 2 . 60 . . 9 LYS HB2 . 25735 1
61 . 1 1 9 9 LYS HB3 H 1 1.575 0.01 . 2 . 61 . . 9 LYS HB3 . 25735 1
62 . 1 1 9 9 LYS HG2 H 1 1.273 0.01 . 2 . 62 . . 9 LYS HG2 . 25735 1
63 . 1 1 9 9 LYS HG3 H 1 1.577 0.01 . 2 . 63 . . 9 LYS HG3 . 25735 1
64 . 1 1 9 9 LYS HD2 H 1 1.699 0.01 . 2 . 64 . . 9 LYS HD2 . 25735 1
65 . 1 1 9 9 LYS HD3 H 1 1.527 0.01 . 2 . 65 . . 9 LYS HD3 . 25735 1
66 . 1 1 9 9 LYS HE2 H 1 2.929 0.01 . 1 . 66 . . 9 LYS HE2 . 25735 1
67 . 1 1 9 9 LYS HE3 H 1 2.929 0.01 . 1 . 67 . . 9 LYS HE3 . 25735 1
68 . 1 1 9 9 LYS C C 13 176.460 0.10 . 1 . 58 . . 9 LYS C . 25735 1
69 . 1 1 9 9 LYS CA C 13 54.330 0.10 . 1 . 56 . . 9 LYS CA . 25735 1
70 . 1 1 9 9 LYS CB C 13 35.030 0.10 . 1 . 59 . . 9 LYS CB . 25735 1
71 . 1 1 9 9 LYS N N 15 125.340 0.10 . 1 . 54 . . 9 LYS N . 25735 1
72 . 1 1 10 10 CYS H H 1 8.982 0.01 . 1 . 69 . . 10 CYS H . 25735 1
73 . 1 1 10 10 CYS HA H 1 4.797 0.01 . 1 . 71 . . 10 CYS HA . 25735 1
74 . 1 1 10 10 CYS HB2 H 1 3.416 0.01 . 1 . 74 . . 10 CYS HB2 . 25735 1
75 . 1 1 10 10 CYS HB3 H 1 2.966 0.01 . 1 . 75 . . 10 CYS HB3 . 25735 1
76 . 1 1 10 10 CYS C C 13 174.950 0.10 . 1 . 72 . . 10 CYS C . 25735 1
77 . 1 1 10 10 CYS CA C 13 58.000 0.10 . 1 . 70 . . 10 CYS CA . 25735 1
78 . 1 1 10 10 CYS CB C 13 30.860 0.10 . 1 . 73 . . 10 CYS CB . 25735 1
79 . 1 1 10 10 CYS N N 15 129.830 0.10 . 1 . 68 . . 10 CYS N . 25735 1
80 . 1 1 11 11 PRO HA H 1 4.551 0.01 . 1 . 77 . . 11 PRO HA . 25735 1
81 . 1 1 11 11 PRO HB2 H 1 2.438 0.01 . 2 . 80 . . 11 PRO HB2 . 25735 1
82 . 1 1 11 11 PRO HB3 H 1 2.025 0.01 . 2 . 81 . . 11 PRO HB3 . 25735 1
83 . 1 1 11 11 PRO HG2 H 1 2.246 0.01 . 2 . 82 . . 11 PRO HG2 . 25735 1
84 . 1 1 11 11 PRO HG3 H 1 2.029 0.01 . 2 . 83 . . 11 PRO HG3 . 25735 1
85 . 1 1 11 11 PRO HD2 H 1 4.085 0.01 . 2 . 84 . . 11 PRO HD2 . 25735 1
86 . 1 1 11 11 PRO HD3 H 1 4.439 0.01 . 2 . 85 . . 11 PRO HD3 . 25735 1
87 . 1 1 11 11 PRO C C 13 177.240 0.10 . 1 . 78 . . 11 PRO C . 25735 1
88 . 1 1 11 11 PRO CA C 13 64.110 0.10 . 1 . 76 . . 11 PRO CA . 25735 1
89 . 1 1 11 11 PRO CB C 13 32.100 0.10 . 1 . 79 . . 11 PRO CB . 25735 1
90 . 1 1 12 12 LEU H H 1 9.370 0.01 . 1 . 87 . . 12 LEU H . 25735 1
91 . 1 1 12 12 LEU HA H 1 4.377 0.01 . 1 . 89 . . 12 LEU HA . 25735 1
92 . 1 1 12 12 LEU HB2 H 1 0.861 0.01 . 1 . 92 . . 12 LEU HB2 . 25735 1
93 . 1 1 12 12 LEU HB3 H 1 0.924 0.01 . 1 . 93 . . 12 LEU HB3 . 25735 1
94 . 1 1 12 12 LEU HG H 1 1.362 0.01 . 1 . 94 . . 12 LEU HG . 25735 1
95 . 1 1 12 12 LEU HD11 H 1 0.741 0.01 . 2 . 95 . . 12 LEU HD11 . 25735 1
96 . 1 1 12 12 LEU HD12 H 1 0.741 0.01 . 2 . 95 . . 12 LEU HD12 . 25735 1
97 . 1 1 12 12 LEU HD13 H 1 0.741 0.01 . 2 . 95 . . 12 LEU HD13 . 25735 1
98 . 1 1 12 12 LEU HD21 H 1 0.710 0.01 . 2 . 96 . . 12 LEU HD21 . 25735 1
99 . 1 1 12 12 LEU HD22 H 1 0.710 0.01 . 2 . 96 . . 12 LEU HD22 . 25735 1
100 . 1 1 12 12 LEU HD23 H 1 0.710 0.01 . 2 . 96 . . 12 LEU HD23 . 25735 1
101 . 1 1 12 12 LEU C C 13 176.350 0.10 . 1 . 90 . . 12 LEU C . 25735 1
102 . 1 1 12 12 LEU CA C 13 54.730 0.10 . 1 . 88 . . 12 LEU CA . 25735 1
103 . 1 1 12 12 LEU CB C 13 43.160 0.10 . 1 . 91 . . 12 LEU CB . 25735 1
104 . 1 1 12 12 LEU N N 15 121.840 0.10 . 1 . 86 . . 12 LEU N . 25735 1
105 . 1 1 13 13 CYS H H 1 7.828 0.01 . 1 . 98 . . 13 CYS H . 25735 1
106 . 1 1 13 13 CYS HA H 1 4.919 0.01 . 1 . 100 . . 13 CYS HA . 25735 1
107 . 1 1 13 13 CYS HB2 H 1 2.839 0.01 . 1 . 103 . . 13 CYS HB2 . 25735 1
108 . 1 1 13 13 CYS HB3 H 1 3.316 0.01 . 1 . 104 . . 13 CYS HB3 . 25735 1
109 . 1 1 13 13 CYS C C 13 173.560 0.10 . 1 . 101 . . 13 CYS C . 25735 1
110 . 1 1 13 13 CYS CA C 13 58.410 0.10 . 1 . 99 . . 13 CYS CA . 25735 1
111 . 1 1 13 13 CYS CB C 13 30.630 0.10 . 1 . 102 . . 13 CYS CB . 25735 1
112 . 1 1 13 13 CYS N N 15 119.590 0.10 . 1 . 97 . . 13 CYS N . 25735 1
113 . 1 1 14 14 GLU H H 1 8.140 0.01 . 1 . 106 . . 14 GLU H . 25735 1
114 . 1 1 14 14 GLU HA H 1 4.153 0.01 . 1 . 108 . . 14 GLU HA . 25735 1
115 . 1 1 14 14 GLU HB2 H 1 2.111 0.01 . 1 . 111 . . 14 GLU HB2 . 25735 1
116 . 1 1 14 14 GLU HB3 H 1 2.111 0.01 . 1 . 112 . . 14 GLU HB3 . 25735 1
117 . 1 1 14 14 GLU HG2 H 1 2.204 0.01 . 1 . 113 . . 14 GLU HG2 . 25735 1
118 . 1 1 14 14 GLU HG3 H 1 2.204 0.01 . 1 . 114 . . 14 GLU HG3 . 25735 1
119 . 1 1 14 14 GLU C C 13 175.900 0.10 . 1 . 109 . . 14 GLU C . 25735 1
120 . 1 1 14 14 GLU CA C 13 58.180 0.10 . 1 . 107 . . 14 GLU CA . 25735 1
121 . 1 1 14 14 GLU CB C 13 29.050 0.10 . 1 . 110 . . 14 GLU CB . 25735 1
122 . 1 1 14 14 GLU N N 15 114.200 0.10 . 1 . 105 . . 14 GLU N . 25735 1
123 . 1 1 15 15 LEU H H 1 8.437 0.01 . 1 . 116 . . 15 LEU H . 25735 1
124 . 1 1 15 15 LEU HA H 1 3.834 0.01 . 1 . 118 . . 15 LEU HA . 25735 1
125 . 1 1 15 15 LEU HB2 H 1 0.952 0.01 . 1 . 121 . . 15 LEU HB2 . 25735 1
126 . 1 1 15 15 LEU HB3 H 1 1.379 0.01 . 1 . 122 . . 15 LEU HB3 . 25735 1
127 . 1 1 15 15 LEU HG H 1 1.040 0.01 . 1 . 123 . . 15 LEU HG . 25735 1
128 . 1 1 15 15 LEU HD11 H 1 0.544 0.01 . 2 . 124 . . 15 LEU HD11 . 25735 1
129 . 1 1 15 15 LEU HD12 H 1 0.544 0.01 . 2 . 124 . . 15 LEU HD12 . 25735 1
130 . 1 1 15 15 LEU HD13 H 1 0.544 0.01 . 2 . 124 . . 15 LEU HD13 . 25735 1
131 . 1 1 15 15 LEU HD21 H 1 0.236 0.01 . 2 . 125 . . 15 LEU HD21 . 25735 1
132 . 1 1 15 15 LEU HD22 H 1 0.236 0.01 . 2 . 125 . . 15 LEU HD22 . 25735 1
133 . 1 1 15 15 LEU HD23 H 1 0.236 0.01 . 2 . 125 . . 15 LEU HD23 . 25735 1
134 . 1 1 15 15 LEU C C 13 174.750 0.10 . 1 . 119 . . 15 LEU C . 25735 1
135 . 1 1 15 15 LEU CA C 13 56.890 0.10 . 1 . 117 . . 15 LEU CA . 25735 1
136 . 1 1 15 15 LEU CB C 13 42.830 0.10 . 1 . 120 . . 15 LEU CB . 25735 1
137 . 1 1 15 15 LEU N N 15 124.460 0.10 . 1 . 115 . . 15 LEU N . 25735 1
138 . 1 1 16 16 MET H H 1 7.709 0.01 . 1 . 127 . . 16 MET H . 25735 1
139 . 1 1 16 16 MET HA H 1 4.992 0.01 . 1 . 129 . . 16 MET HA . 25735 1
140 . 1 1 16 16 MET HB2 H 1 1.740 0.01 . 1 . 132 . . 16 MET HB2 . 25735 1
141 . 1 1 16 16 MET HB3 H 1 1.740 0.01 . 1 . 133 . . 16 MET HB3 . 25735 1
142 . 1 1 16 16 MET HG2 H 1 2.445 0.01 . 2 . 134 . . 16 MET HG2 . 25735 1
143 . 1 1 16 16 MET HG3 H 1 2.335 0.01 . 2 . 135 . . 16 MET HG3 . 25735 1
144 . 1 1 16 16 MET HE1 H 1 1.819 0.01 . 1 . 136 . . 16 MET HE1 . 25735 1
145 . 1 1 16 16 MET HE2 H 1 1.819 0.01 . 1 . 136 . . 16 MET HE2 . 25735 1
146 . 1 1 16 16 MET HE3 H 1 1.819 0.01 . 1 . 136 . . 16 MET HE3 . 25735 1
147 . 1 1 16 16 MET C C 13 175.530 0.10 . 1 . 130 . . 16 MET C . 25735 1
148 . 1 1 16 16 MET CA C 13 53.280 0.10 . 1 . 128 . . 16 MET CA . 25735 1
149 . 1 1 16 16 MET CB C 13 34.590 0.10 . 1 . 131 . . 16 MET CB . 25735 1
150 . 1 1 16 16 MET N N 15 120.570 0.10 . 1 . 126 . . 16 MET N . 25735 1
151 . 1 1 17 17 PHE H H 1 9.036 0.01 . 1 . 138 . . 17 PHE H . 25735 1
152 . 1 1 17 17 PHE HA H 1 4.511 0.01 . 1 . 140 . . 17 PHE HA . 25735 1
153 . 1 1 17 17 PHE HB2 H 1 2.416 0.01 . 1 . 143 . . 17 PHE HB2 . 25735 1
154 . 1 1 17 17 PHE HB3 H 1 2.551 0.01 . 1 . 144 . . 17 PHE HB3 . 25735 1
155 . 1 1 17 17 PHE HD1 H 1 6.569 0.01 . 1 . 146 . . 17 PHE HD1 . 25735 1
156 . 1 1 17 17 PHE HD2 H 1 6.569 0.01 . 1 . 147 . . 17 PHE HD2 . 25735 1
157 . 1 1 17 17 PHE HE1 H 1 6.807 0.01 . 1 . 148 . . 17 PHE HE1 . 25735 1
158 . 1 1 17 17 PHE HE2 H 1 6.807 0.01 . 1 . 149 . . 17 PHE HE2 . 25735 1
159 . 1 1 17 17 PHE HZ H 1 6.426 0.01 . 1 . 145 . . 17 PHE HZ . 25735 1
160 . 1 1 17 17 PHE C C 13 172.660 0.10 . 1 . 141 . . 17 PHE C . 25735 1
161 . 1 1 17 17 PHE CA C 13 55.440 0.10 . 1 . 139 . . 17 PHE CA . 25735 1
162 . 1 1 17 17 PHE CB C 13 39.680 0.10 . 1 . 142 . . 17 PHE CB . 25735 1
163 . 1 1 17 17 PHE N N 15 122.580 0.10 . 1 . 137 . . 17 PHE N . 25735 1
164 . 1 1 18 18 PRO HA H 1 4.385 0.01 . 1 . 150 . . 18 PRO HA . 25735 1
165 . 1 1 18 18 PRO HB2 H 1 1.999 0.01 . 2 . 151 . . 18 PRO HB2 . 25735 1
166 . 1 1 18 18 PRO HB3 H 1 2.316 0.01 . 2 . 152 . . 18 PRO HB3 . 25735 1
167 . 1 1 18 18 PRO HG2 H 1 2.093 0.01 . 2 . 153 . . 18 PRO HG2 . 25735 1
168 . 1 1 18 18 PRO HG3 H 1 2.126 0.01 . 2 . 154 . . 18 PRO HG3 . 25735 1
169 . 1 1 18 18 PRO HD2 H 1 3.723 0.01 . 2 . 155 . . 18 PRO HD2 . 25735 1
170 . 1 1 18 18 PRO HD3 H 1 3.511 0.01 . 2 . 156 . . 18 PRO HD3 . 25735 1
171 . 1 1 19 19 PRO HA H 1 4.172 0.01 . 1 . 158 . . 19 PRO HA . 25735 1
172 . 1 1 19 19 PRO HB2 H 1 2.104 0.01 . 2 . 161 . . 19 PRO HB2 . 25735 1
173 . 1 1 19 19 PRO HB3 H 1 1.765 0.01 . 2 . 162 . . 19 PRO HB3 . 25735 1
174 . 1 1 19 19 PRO HG2 H 1 1.637 0.01 . 2 . 163 . . 19 PRO HG2 . 25735 1
175 . 1 1 19 19 PRO HG3 H 1 1.896 0.01 . 2 . 164 . . 19 PRO HG3 . 25735 1
176 . 1 1 19 19 PRO HD2 H 1 3.446 0.01 . 2 . 165 . . 19 PRO HD2 . 25735 1
177 . 1 1 19 19 PRO HD3 H 1 3.071 0.01 . 2 . 166 . . 19 PRO HD3 . 25735 1
178 . 1 1 19 19 PRO C C 13 176.900 0.10 . 1 . 159 . . 19 PRO C . 25735 1
179 . 1 1 19 19 PRO CA C 13 63.950 0.10 . 1 . 157 . . 19 PRO CA . 25735 1
180 . 1 1 19 19 PRO CB C 13 31.680 0.10 . 1 . 160 . . 19 PRO CB . 25735 1
181 . 1 1 20 20 ASN H H 1 8.352 0.01 . 1 . 168 . . 20 ASN H . 25735 1
182 . 1 1 20 20 ASN HA H 1 4.509 0.01 . 1 . 170 . . 20 ASN HA . 25735 1
183 . 1 1 20 20 ASN HB2 H 1 2.798 0.01 . 2 . 173 . . 20 ASN HB2 . 25735 1
184 . 1 1 20 20 ASN HB3 H 1 2.926 0.01 . 2 . 174 . . 20 ASN HB3 . 25735 1
185 . 1 1 20 20 ASN HD21 H 1 6.868 0.01 . 1 . 176 . . 20 ASN HD21 . 25735 1
186 . 1 1 20 20 ASN HD22 H 1 7.576 0.01 . 1 . 177 . . 20 ASN HD22 . 25735 1
187 . 1 1 20 20 ASN C C 13 174.650 0.10 . 1 . 171 . . 20 ASN C . 25735 1
188 . 1 1 20 20 ASN CA C 13 52.790 0.10 . 1 . 169 . . 20 ASN CA . 25735 1
189 . 1 1 20 20 ASN CB C 13 37.030 0.10 . 1 . 172 . . 20 ASN CB . 25735 1
190 . 1 1 20 20 ASN N N 15 113.630 0.10 . 1 . 167 . . 20 ASN N . 25735 1
191 . 1 1 20 20 ASN ND2 N 15 112.830 0.10 . 1 . 175 . . 20 ASN ND2 . 25735 1
192 . 1 1 21 21 TYR H H 1 7.683 0.01 . 1 . 179 . . 21 TYR H . 25735 1
193 . 1 1 21 21 TYR HA H 1 4.160 0.01 . 1 . 181 . . 21 TYR HA . 25735 1
194 . 1 1 21 21 TYR HB2 H 1 2.700 0.01 . 1 . 184 . . 21 TYR HB2 . 25735 1
195 . 1 1 21 21 TYR HB3 H 1 3.255 0.01 . 1 . 185 . . 21 TYR HB3 . 25735 1
196 . 1 1 21 21 TYR HD1 H 1 6.990 0.01 . 1 . 186 . . 21 TYR HD1 . 25735 1
197 . 1 1 21 21 TYR HD2 H 1 6.990 0.01 . 1 . 187 . . 21 TYR HD2 . 25735 1
198 . 1 1 21 21 TYR HE1 H 1 6.544 0.01 . 1 . 188 . . 21 TYR HE1 . 25735 1
199 . 1 1 21 21 TYR HE2 H 1 6.544 0.01 . 1 . 189 . . 21 TYR HE2 . 25735 1
200 . 1 1 21 21 TYR C C 13 174.850 0.10 . 1 . 182 . . 21 TYR C . 25735 1
201 . 1 1 21 21 TYR CA C 13 58.940 0.10 . 1 . 180 . . 21 TYR CA . 25735 1
202 . 1 1 21 21 TYR CB C 13 39.290 0.10 . 1 . 183 . . 21 TYR CB . 25735 1
203 . 1 1 21 21 TYR N N 15 121.560 0.10 . 1 . 178 . . 21 TYR N . 25735 1
204 . 1 1 22 22 ASP H H 1 7.816 0.01 . 1 . 191 . . 22 ASP H . 25735 1
205 . 1 1 22 22 ASP HA H 1 4.226 0.01 . 1 . 193 . . 22 ASP HA . 25735 1
206 . 1 1 22 22 ASP HB2 H 1 2.283 0.01 . 2 . 196 . . 22 ASP HB2 . 25735 1
207 . 1 1 22 22 ASP HB3 H 1 2.429 0.01 . 2 . 197 . . 22 ASP HB3 . 25735 1
208 . 1 1 22 22 ASP C C 13 176.420 0.10 . 1 . 194 . . 22 ASP C . 25735 1
209 . 1 1 22 22 ASP CA C 13 54.850 0.10 . 1 . 192 . . 22 ASP CA . 25735 1
210 . 1 1 22 22 ASP CB C 13 42.170 0.10 . 1 . 195 . . 22 ASP CB . 25735 1
211 . 1 1 22 22 ASP N N 15 126.060 0.10 . 1 . 190 . . 22 ASP N . 25735 1
212 . 1 1 23 23 GLN H H 1 8.893 0.01 . 1 . 199 . . 23 GLN H . 25735 1
213 . 1 1 23 23 GLN HA H 1 3.952 0.01 . 1 . 201 . . 23 GLN HA . 25735 1
214 . 1 1 23 23 GLN HB2 H 1 1.959 0.01 . 2 . 204 . . 23 GLN HB2 . 25735 1
215 . 1 1 23 23 GLN HB3 H 1 2.197 0.01 . 2 . 205 . . 23 GLN HB3 . 25735 1
216 . 1 1 23 23 GLN HG2 H 1 2.426 0.01 . 1 . 206 . . 23 GLN HG2 . 25735 1
217 . 1 1 23 23 GLN HG3 H 1 2.426 0.01 . 1 . 207 . . 23 GLN HG3 . 25735 1
218 . 1 1 23 23 GLN HE21 H 1 6.765 0.01 . 1 . 209 . . 23 GLN HE21 . 25735 1
219 . 1 1 23 23 GLN HE22 H 1 8.110 0.01 . 1 . 210 . . 23 GLN HE22 . 25735 1
220 . 1 1 23 23 GLN C C 13 177.910 0.10 . 1 . 202 . . 23 GLN C . 25735 1
221 . 1 1 23 23 GLN CA C 13 58.750 0.10 . 1 . 200 . . 23 GLN CA . 25735 1
222 . 1 1 23 23 GLN CB C 13 27.740 0.10 . 1 . 203 . . 23 GLN CB . 25735 1
223 . 1 1 23 23 GLN N N 15 128.010 0.10 . 1 . 198 . . 23 GLN N . 25735 1
224 . 1 1 23 23 GLN NE2 N 15 112.330 0.10 . 1 . 208 . . 23 GLN NE2 . 25735 1
225 . 1 1 24 24 SER H H 1 8.439 0.01 . 1 . 212 . . 24 SER H . 25735 1
226 . 1 1 24 24 SER HA H 1 4.277 0.01 . 1 . 214 . . 24 SER HA . 25735 1
227 . 1 1 24 24 SER HB2 H 1 3.926 0.01 . 1 . 217 . . 24 SER HB2 . 25735 1
228 . 1 1 24 24 SER HB3 H 1 3.926 0.01 . 1 . 218 . . 24 SER HB3 . 25735 1
229 . 1 1 24 24 SER C C 13 177.380 0.10 . 1 . 215 . . 24 SER C . 25735 1
230 . 1 1 24 24 SER CA C 13 61.810 0.10 . 1 . 213 . . 24 SER CA . 25735 1
231 . 1 1 24 24 SER CB C 13 61.880 0.10 . 1 . 216 . . 24 SER CB . 25735 1
232 . 1 1 24 24 SER N N 15 115.380 0.10 . 1 . 211 . . 24 SER N . 25735 1
233 . 1 1 25 25 LYS H H 1 7.760 0.01 . 1 . 220 . . 25 LYS H . 25735 1
234 . 1 1 25 25 LYS HA H 1 4.162 0.01 . 1 . 222 . . 25 LYS HA . 25735 1
235 . 1 1 25 25 LYS HB2 H 1 1.893 0.01 . 2 . 225 . . 25 LYS HB2 . 25735 1
236 . 1 1 25 25 LYS HB3 H 1 1.791 0.01 . 2 . 226 . . 25 LYS HB3 . 25735 1
237 . 1 1 25 25 LYS HG2 H 1 1.463 0.01 . 2 . 227 . . 25 LYS HG2 . 25735 1
238 . 1 1 25 25 LYS HG3 H 1 1.390 0.01 . 2 . 228 . . 25 LYS HG3 . 25735 1
239 . 1 1 25 25 LYS HD2 H 1 1.599 0.01 . 2 . 229 . . 25 LYS HD2 . 25735 1
240 . 1 1 25 25 LYS HD3 H 1 1.509 0.01 . 2 . 230 . . 25 LYS HD3 . 25735 1
241 . 1 1 25 25 LYS HE2 H 1 2.890 0.01 . 2 . 231 . . 25 LYS HE2 . 25735 1
242 . 1 1 25 25 LYS HE3 H 1 2.941 0.01 . 2 . 232 . . 25 LYS HE3 . 25735 1
243 . 1 1 25 25 LYS C C 13 180.020 0.10 . 1 . 223 . . 25 LYS C . 25735 1
244 . 1 1 25 25 LYS CA C 13 58.300 0.10 . 1 . 221 . . 25 LYS CA . 25735 1
245 . 1 1 25 25 LYS CB C 13 31.500 0.10 . 1 . 224 . . 25 LYS CB . 25735 1
246 . 1 1 25 25 LYS N N 15 123.090 0.10 . 1 . 219 . . 25 LYS N . 25735 1
247 . 1 1 26 26 PHE H H 1 8.404 0.01 . 1 . 234 . . 26 PHE H . 25735 1
248 . 1 1 26 26 PHE HA H 1 3.819 0.01 . 1 . 236 . . 26 PHE HA . 25735 1
249 . 1 1 26 26 PHE HB2 H 1 3.243 0.01 . 1 . 239 . . 26 PHE HB2 . 25735 1
250 . 1 1 26 26 PHE HB3 H 1 2.743 0.01 . 1 . 240 . . 26 PHE HB3 . 25735 1
251 . 1 1 26 26 PHE HD1 H 1 6.444 0.01 . 1 . 242 . . 26 PHE HD1 . 25735 1
252 . 1 1 26 26 PHE HD2 H 1 6.444 0.01 . 1 . 243 . . 26 PHE HD2 . 25735 1
253 . 1 1 26 26 PHE HE1 H 1 7.089 0.01 . 1 . 244 . . 26 PHE HE1 . 25735 1
254 . 1 1 26 26 PHE HE2 H 1 7.089 0.01 . 1 . 245 . . 26 PHE HE2 . 25735 1
255 . 1 1 26 26 PHE HZ H 1 7.243 0.01 . 1 . 241 . . 26 PHE HZ . 25735 1
256 . 1 1 26 26 PHE C C 13 176.440 0.10 . 1 . 237 . . 26 PHE C . 25735 1
257 . 1 1 26 26 PHE CA C 13 61.540 0.10 . 1 . 235 . . 26 PHE CA . 25735 1
258 . 1 1 26 26 PHE CB C 13 38.980 0.10 . 1 . 238 . . 26 PHE CB . 25735 1
259 . 1 1 26 26 PHE N N 15 123.840 0.10 . 1 . 233 . . 26 PHE N . 25735 1
260 . 1 1 27 27 GLU H H 1 8.506 0.01 . 1 . 247 . . 27 GLU H . 25735 1
261 . 1 1 27 27 GLU HA H 1 3.696 0.01 . 1 . 249 . . 27 GLU HA . 25735 1
262 . 1 1 27 27 GLU HB2 H 1 2.028 0.01 . 2 . 252 . . 27 GLU HB2 . 25735 1
263 . 1 1 27 27 GLU HB3 H 1 2.113 0.01 . 2 . 253 . . 27 GLU HB3 . 25735 1
264 . 1 1 27 27 GLU HG2 H 1 2.377 0.01 . 2 . 254 . . 27 GLU HG2 . 25735 1
265 . 1 1 27 27 GLU HG3 H 1 2.699 0.01 . 2 . 255 . . 27 GLU HG3 . 25735 1
266 . 1 1 27 27 GLU C C 13 178.910 0.10 . 1 . 250 . . 27 GLU C . 25735 1
267 . 1 1 27 27 GLU CA C 13 59.640 0.10 . 1 . 248 . . 27 GLU CA . 25735 1
268 . 1 1 27 27 GLU CB C 13 28.700 0.10 . 1 . 251 . . 27 GLU CB . 25735 1
269 . 1 1 27 27 GLU N N 15 118.760 0.10 . 1 . 246 . . 27 GLU N . 25735 1
270 . 1 1 28 28 GLU H H 1 7.972 0.01 . 1 . 257 . . 28 GLU H . 25735 1
271 . 1 1 28 28 GLU HA H 1 3.929 0.01 . 1 . 259 . . 28 GLU HA . 25735 1
272 . 1 1 28 28 GLU HB2 H 1 2.057 0.01 . 2 . 262 . . 28 GLU HB2 . 25735 1
273 . 1 1 28 28 GLU HB3 H 1 2.139 0.01 . 2 . 263 . . 28 GLU HB3 . 25735 1
274 . 1 1 28 28 GLU HG2 H 1 2.397 0.01 . 1 . 264 . . 28 GLU HG2 . 25735 1
275 . 1 1 28 28 GLU HG3 H 1 2.397 0.01 . 1 . 265 . . 28 GLU HG3 . 25735 1
276 . 1 1 28 28 GLU C C 13 179.210 0.10 . 1 . 260 . . 28 GLU C . 25735 1
277 . 1 1 28 28 GLU CA C 13 59.080 0.10 . 1 . 258 . . 28 GLU CA . 25735 1
278 . 1 1 28 28 GLU CB C 13 29.740 0.10 . 1 . 261 . . 28 GLU CB . 25735 1
279 . 1 1 28 28 GLU N N 15 118.860 0.10 . 1 . 256 . . 28 GLU N . 25735 1
280 . 1 1 29 29 HIS H H 1 7.779 0.01 . 1 . 267 . . 29 HIS H . 25735 1
281 . 1 1 29 29 HIS HA H 1 4.128 0.01 . 1 . 269 . . 29 HIS HA . 25735 1
282 . 1 1 29 29 HIS HB2 H 1 3.454 0.01 . 1 . 272 . . 29 HIS HB2 . 25735 1
283 . 1 1 29 29 HIS HB3 H 1 3.315 0.01 . 1 . 273 . . 29 HIS HB3 . 25735 1
284 . 1 1 29 29 HIS HD2 H 1 7.077 0.01 . 1 . 274 . . 29 HIS HD2 . 25735 1
285 . 1 1 29 29 HIS HE1 H 1 7.782 0.01 . 1 . 275 . . 29 HIS HE1 . 25735 1
286 . 1 1 29 29 HIS C C 13 178.410 0.10 . 1 . 270 . . 29 HIS C . 25735 1
287 . 1 1 29 29 HIS CA C 13 60.150 0.10 . 1 . 268 . . 29 HIS CA . 25735 1
288 . 1 1 29 29 HIS CB C 13 26.870 0.10 . 1 . 271 . . 29 HIS CB . 25735 1
289 . 1 1 29 29 HIS N N 15 118.190 0.10 . 1 . 266 . . 29 HIS N . 25735 1
290 . 1 1 30 30 VAL H H 1 8.172 0.01 . 1 . 277 . . 30 VAL H . 25735 1
291 . 1 1 30 30 VAL HA H 1 3.373 0.01 . 1 . 279 . . 30 VAL HA . 25735 1
292 . 1 1 30 30 VAL HB H 1 1.966 0.01 . 1 . 282 . . 30 VAL HB . 25735 1
293 . 1 1 30 30 VAL HG11 H 1 0.964 0.01 . 2 . 283 . . 30 VAL HG11 . 25735 1
294 . 1 1 30 30 VAL HG12 H 1 0.964 0.01 . 2 . 283 . . 30 VAL HG12 . 25735 1
295 . 1 1 30 30 VAL HG13 H 1 0.964 0.01 . 2 . 283 . . 30 VAL HG13 . 25735 1
296 . 1 1 30 30 VAL HG21 H 1 0.784 0.01 . 2 . 284 . . 30 VAL HG21 . 25735 1
297 . 1 1 30 30 VAL HG22 H 1 0.784 0.01 . 2 . 284 . . 30 VAL HG22 . 25735 1
298 . 1 1 30 30 VAL HG23 H 1 0.784 0.01 . 2 . 284 . . 30 VAL HG23 . 25735 1
299 . 1 1 30 30 VAL C C 13 178.320 0.10 . 1 . 280 . . 30 VAL C . 25735 1
300 . 1 1 30 30 VAL CA C 13 67.660 0.10 . 1 . 278 . . 30 VAL CA . 25735 1
301 . 1 1 30 30 VAL CB C 13 31.520 0.10 . 1 . 281 . . 30 VAL CB . 25735 1
302 . 1 1 30 30 VAL N N 15 122.350 0.10 . 1 . 276 . . 30 VAL N . 25735 1
303 . 1 1 31 31 GLU H H 1 7.966 0.01 . 1 . 286 . . 31 GLU H . 25735 1
304 . 1 1 31 31 GLU HA H 1 3.788 0.01 . 1 . 288 . . 31 GLU HA . 25735 1
305 . 1 1 31 31 GLU HB2 H 1 1.896 0.01 . 1 . 291 . . 31 GLU HB2 . 25735 1
306 . 1 1 31 31 GLU HB3 H 1 1.896 0.01 . 1 . 292 . . 31 GLU HB3 . 25735 1
307 . 1 1 31 31 GLU HG2 H 1 2.243 0.01 . 2 . 293 . . 31 GLU HG2 . 25735 1
308 . 1 1 31 31 GLU HG3 H 1 2.040 0.01 . 2 . 294 . . 31 GLU HG3 . 25735 1
309 . 1 1 31 31 GLU C C 13 178.040 0.10 . 1 . 289 . . 31 GLU C . 25735 1
310 . 1 1 31 31 GLU CA C 13 58.070 0.10 . 1 . 287 . . 31 GLU CA . 25735 1
311 . 1 1 31 31 GLU CB C 13 29.330 0.10 . 1 . 290 . . 31 GLU CB . 25735 1
312 . 1 1 31 31 GLU N N 15 116.060 0.10 . 1 . 285 . . 31 GLU N . 25735 1
313 . 1 1 32 32 SER H H 1 7.560 0.01 . 1 . 296 . . 32 SER H . 25735 1
314 . 1 1 32 32 SER HA H 1 4.208 0.01 . 1 . 298 . . 32 SER HA . 25735 1
315 . 1 1 32 32 SER HB2 H 1 3.854 0.01 . 2 . 301 . . 32 SER HB2 . 25735 1
316 . 1 1 32 32 SER HB3 H 1 3.822 0.01 . 2 . 302 . . 32 SER HB3 . 25735 1
317 . 1 1 32 32 SER HG H 1 5.812 0.01 . 1 . 303 . . 32 SER HG . 25735 1
318 . 1 1 32 32 SER C C 13 174.750 0.10 . 1 . 299 . . 32 SER C . 25735 1
319 . 1 1 32 32 SER CA C 13 60.340 0.10 . 1 . 297 . . 32 SER CA . 25735 1
320 . 1 1 32 32 SER CB C 13 62.690 0.10 . 1 . 300 . . 32 SER CB . 25735 1
321 . 1 1 32 32 SER N N 15 115.480 0.10 . 1 . 295 . . 32 SER N . 25735 1
322 . 1 1 33 33 HIS H H 1 7.254 0.01 . 1 . 305 . . 33 HIS H . 25735 1
323 . 1 1 33 33 HIS HA H 1 4.399 0.01 . 1 . 307 . . 33 HIS HA . 25735 1
324 . 1 1 33 33 HIS HB2 H 1 2.951 0.01 . 1 . 310 . . 33 HIS HB2 . 25735 1
325 . 1 1 33 33 HIS HB3 H 1 3.044 0.01 . 1 . 311 . . 33 HIS HB3 . 25735 1
326 . 1 1 33 33 HIS HD2 H 1 6.731 0.01 . 1 . 312 . . 33 HIS HD2 . 25735 1
327 . 1 1 33 33 HIS HE1 H 1 7.883 0.01 . 1 . 313 . . 33 HIS HE1 . 25735 1
328 . 1 1 33 33 HIS C C 13 175.440 0.10 . 1 . 308 . . 33 HIS C . 25735 1
329 . 1 1 33 33 HIS CA C 13 56.980 0.10 . 1 . 306 . . 33 HIS CA . 25735 1
330 . 1 1 33 33 HIS CB C 13 29.050 0.10 . 1 . 309 . . 33 HIS CB . 25735 1
331 . 1 1 33 33 HIS N N 15 118.660 0.10 . 1 . 304 . . 33 HIS N . 25735 1
332 . 1 1 34 34 TRP H H 1 7.960 0.01 . 1 . 315 . . 34 TRP H . 25735 1
333 . 1 1 34 34 TRP HA H 1 4.305 0.01 . 1 . 317 . . 34 TRP HA . 25735 1
334 . 1 1 34 34 TRP HB2 H 1 3.124 0.01 . 2 . 320 . . 34 TRP HB2 . 25735 1
335 . 1 1 34 34 TRP HB3 H 1 3.104 0.01 . 2 . 321 . . 34 TRP HB3 . 25735 1
336 . 1 1 34 34 TRP HD1 H 1 7.254 0.01 . 1 . 322 . . 34 TRP HD1 . 25735 1
337 . 1 1 34 34 TRP HE1 H 1 10.045 0.01 . 1 . 324 . . 34 TRP HE1 . 25735 1
338 . 1 1 34 34 TRP HE3 H 1 7.337 0.01 . 1 . 325 . . 34 TRP HE3 . 25735 1
339 . 1 1 34 34 TRP HZ2 H 1 7.410 0.01 . 1 . 326 . . 34 TRP HZ2 . 25735 1
340 . 1 1 34 34 TRP HZ3 H 1 6.901 0.01 . 1 . 327 . . 34 TRP HZ3 . 25735 1
341 . 1 1 34 34 TRP HH2 H 1 7.133 0.01 . 1 . 328 . . 34 TRP HH2 . 25735 1
342 . 1 1 34 34 TRP C C 13 175.600 0.10 . 1 . 318 . . 34 TRP C . 25735 1
343 . 1 1 34 34 TRP CA C 13 58.320 0.10 . 1 . 316 . . 34 TRP CA . 25735 1
344 . 1 1 34 34 TRP CB C 13 29.070 0.10 . 1 . 319 . . 34 TRP CB . 25735 1
345 . 1 1 34 34 TRP N N 15 121.160 0.10 . 1 . 314 . . 34 TRP N . 25735 1
346 . 1 1 34 34 TRP NE1 N 15 128.830 0.10 . 1 . 323 . . 34 TRP NE1 . 25735 1
347 . 1 1 35 35 LYS H H 1 8.603 0.01 . 1 . 330 . . 35 LYS H . 25735 1
348 . 1 1 35 35 LYS HA H 1 4.322 0.01 . 1 . 332 . . 35 LYS HA . 25735 1
349 . 1 1 35 35 LYS HB2 H 1 0.831 0.01 . 1 . 335 . . 35 LYS HB2 . 25735 1
350 . 1 1 35 35 LYS HB3 H 1 1.267 0.01 . 1 . 336 . . 35 LYS HB3 . 25735 1
351 . 1 1 35 35 LYS HG2 H 1 0.864 0.01 . 1 . 337 . . 35 LYS HG2 . 25735 1
352 . 1 1 35 35 LYS HG3 H 1 0.864 0.01 . 1 . 338 . . 35 LYS HG3 . 25735 1
353 . 1 1 35 35 LYS HD2 H 1 1.077 0.01 . 2 . 339 . . 35 LYS HD2 . 25735 1
354 . 1 1 35 35 LYS HD3 H 1 1.160 0.01 . 2 . 340 . . 35 LYS HD3 . 25735 1
355 . 1 1 35 35 LYS HE2 H 1 2.651 0.01 . 1 . 341 . . 35 LYS HE2 . 25735 1
356 . 1 1 35 35 LYS HE3 H 1 2.651 0.01 . 1 . 342 . . 35 LYS HE3 . 25735 1
357 . 1 1 35 35 LYS C C 13 175.210 0.10 . 1 . 333 . . 35 LYS C . 25735 1
358 . 1 1 35 35 LYS CA C 13 55.340 0.10 . 1 . 331 . . 35 LYS CA . 25735 1
359 . 1 1 35 35 LYS CB C 13 33.220 0.10 . 1 . 334 . . 35 LYS CB . 25735 1
360 . 1 1 35 35 LYS N N 15 123.010 0.10 . 1 . 329 . . 35 LYS N . 25735 1
361 . 1 1 36 36 VAL H H 1 8.337 0.01 . 1 . 344 . . 36 VAL H . 25735 1
362 . 1 1 36 36 VAL HA H 1 4.897 0.01 . 1 . 346 . . 36 VAL HA . 25735 1
363 . 1 1 36 36 VAL HB H 1 1.910 0.01 . 1 . 349 . . 36 VAL HB . 25735 1
364 . 1 1 36 36 VAL HG11 H 1 0.833 0.01 . 2 . 350 . . 36 VAL HG11 . 25735 1
365 . 1 1 36 36 VAL HG12 H 1 0.833 0.01 . 2 . 350 . . 36 VAL HG12 . 25735 1
366 . 1 1 36 36 VAL HG13 H 1 0.833 0.01 . 2 . 350 . . 36 VAL HG13 . 25735 1
367 . 1 1 36 36 VAL HG21 H 1 0.862 0.01 . 2 . 351 . . 36 VAL HG21 . 25735 1
368 . 1 1 36 36 VAL HG22 H 1 0.862 0.01 . 2 . 351 . . 36 VAL HG22 . 25735 1
369 . 1 1 36 36 VAL HG23 H 1 0.862 0.01 . 2 . 351 . . 36 VAL HG23 . 25735 1
370 . 1 1 36 36 VAL C C 13 176.300 0.10 . 1 . 347 . . 36 VAL C . 25735 1
371 . 1 1 36 36 VAL CA C 13 60.230 0.10 . 1 . 345 . . 36 VAL CA . 25735 1
372 . 1 1 36 36 VAL CB C 13 34.350 0.10 . 1 . 348 . . 36 VAL CB . 25735 1
373 . 1 1 36 36 VAL N N 15 122.510 0.10 . 1 . 343 . . 36 VAL N . 25735 1
374 . 1 1 37 37 CYS H H 1 9.159 0.01 . 1 . 353 . . 37 CYS H . 25735 1
375 . 1 1 37 37 CYS HA H 1 4.876 0.01 . 1 . 355 . . 37 CYS HA . 25735 1
376 . 1 1 37 37 CYS HB2 H 1 3.471 0.01 . 1 . 358 . . 37 CYS HB2 . 25735 1
377 . 1 1 37 37 CYS HB3 H 1 3.026 0.01 . 1 . 359 . . 37 CYS HB3 . 25735 1
378 . 1 1 37 37 CYS C C 13 175.460 0.10 . 1 . 356 . . 37 CYS C . 25735 1
379 . 1 1 37 37 CYS CA C 13 57.500 0.10 . 1 . 354 . . 37 CYS CA . 25735 1
380 . 1 1 37 37 CYS CB C 13 30.530 0.10 . 1 . 357 . . 37 CYS CB . 25735 1
381 . 1 1 37 37 CYS N N 15 130.400 0.10 . 1 . 352 . . 37 CYS N . 25735 1
382 . 1 1 38 38 PRO HA H 1 4.567 0.01 . 1 . 361 . . 38 PRO HA . 25735 1
383 . 1 1 38 38 PRO HB2 H 1 2.443 0.01 . 2 . 364 . . 38 PRO HB2 . 25735 1
384 . 1 1 38 38 PRO HB3 H 1 2.082 0.01 . 2 . 365 . . 38 PRO HB3 . 25735 1
385 . 1 1 38 38 PRO HG2 H 1 2.004 0.01 . 2 . 366 . . 38 PRO HG2 . 25735 1
386 . 1 1 38 38 PRO HG3 H 1 2.279 0.01 . 2 . 367 . . 38 PRO HG3 . 25735 1
387 . 1 1 38 38 PRO HD2 H 1 4.226 0.01 . 2 . 368 . . 38 PRO HD2 . 25735 1
388 . 1 1 38 38 PRO HD3 H 1 4.386 0.01 . 2 . 369 . . 38 PRO HD3 . 25735 1
389 . 1 1 38 38 PRO C C 13 176.930 0.10 . 1 . 362 . . 38 PRO C . 25735 1
390 . 1 1 38 38 PRO CA C 13 64.100 0.10 . 1 . 360 . . 38 PRO CA . 25735 1
391 . 1 1 38 38 PRO CB C 13 32.190 0.10 . 1 . 363 . . 38 PRO CB . 25735 1
392 . 1 1 39 39 MET H H 1 9.063 0.01 . 1 . 371 . . 39 MET H . 25735 1
393 . 1 1 39 39 MET HA H 1 4.514 0.01 . 1 . 373 . . 39 MET HA . 25735 1
394 . 1 1 39 39 MET HB2 H 1 1.361 0.01 . 2 . 376 . . 39 MET HB2 . 25735 1
395 . 1 1 39 39 MET HB3 H 1 1.036 0.01 . 2 . 377 . . 39 MET HB3 . 25735 1
396 . 1 1 39 39 MET HG2 H 1 2.189 0.01 . 2 . 378 . . 39 MET HG2 . 25735 1
397 . 1 1 39 39 MET HG3 H 1 2.263 0.01 . 2 . 379 . . 39 MET HG3 . 25735 1
398 . 1 1 39 39 MET HE1 H 1 1.852 0.01 . 1 . 380 . . 39 MET HE1 . 25735 1
399 . 1 1 39 39 MET HE2 H 1 1.852 0.01 . 1 . 380 . . 39 MET HE2 . 25735 1
400 . 1 1 39 39 MET HE3 H 1 1.852 0.01 . 1 . 380 . . 39 MET HE3 . 25735 1
401 . 1 1 39 39 MET C C 13 176.370 0.10 . 1 . 374 . . 39 MET C . 25735 1
402 . 1 1 39 39 MET CA C 13 55.690 0.10 . 1 . 372 . . 39 MET CA . 25735 1
403 . 1 1 39 39 MET CB C 13 32.250 0.10 . 1 . 375 . . 39 MET CB . 25735 1
404 . 1 1 39 39 MET N N 15 119.160 0.10 . 1 . 370 . . 39 MET N . 25735 1
405 . 1 1 40 40 CYS H H 1 8.064 0.01 . 1 . 382 . . 40 CYS H . 25735 1
406 . 1 1 40 40 CYS HA H 1 4.996 0.01 . 1 . 384 . . 40 CYS HA . 25735 1
407 . 1 1 40 40 CYS HB2 H 1 2.661 0.01 . 1 . 387 . . 40 CYS HB2 . 25735 1
408 . 1 1 40 40 CYS HB3 H 1 3.409 0.01 . 1 . 388 . . 40 CYS HB3 . 25735 1
409 . 1 1 40 40 CYS C C 13 175.190 0.10 . 1 . 385 . . 40 CYS C . 25735 1
410 . 1 1 40 40 CYS CA C 13 58.420 0.10 . 1 . 383 . . 40 CYS CA . 25735 1
411 . 1 1 40 40 CYS CB C 13 31.490 0.10 . 1 . 386 . . 40 CYS CB . 25735 1
412 . 1 1 40 40 CYS N N 15 118.430 0.10 . 1 . 381 . . 40 CYS N . 25735 1
413 . 1 1 41 41 SER H H 1 7.900 0.01 . 1 . 390 . . 41 SER H . 25735 1
414 . 1 1 41 41 SER HA H 1 4.277 0.01 . 1 . 392 . . 41 SER HA . 25735 1
415 . 1 1 41 41 SER HB2 H 1 3.954 0.01 . 2 . 395 . . 41 SER HB2 . 25735 1
416 . 1 1 41 41 SER HB3 H 1 4.111 0.01 . 2 . 396 . . 41 SER HB3 . 25735 1
417 . 1 1 41 41 SER C C 13 173.100 0.10 . 1 . 393 . . 41 SER C . 25735 1
418 . 1 1 41 41 SER CA C 13 60.110 0.10 . 1 . 391 . . 41 SER CA . 25735 1
419 . 1 1 41 41 SER CB C 13 62.040 0.10 . 1 . 394 . . 41 SER CB . 25735 1
420 . 1 1 41 41 SER N N 15 113.400 0.10 . 1 . 389 . . 41 SER N . 25735 1
421 . 1 1 42 42 GLU H H 1 8.488 0.01 . 1 . 398 . . 42 GLU H . 25735 1
422 . 1 1 42 42 GLU HA H 1 3.883 0.01 . 1 . 400 . . 42 GLU HA . 25735 1
423 . 1 1 42 42 GLU HB2 H 1 1.968 0.01 . 2 . 403 . . 42 GLU HB2 . 25735 1
424 . 1 1 42 42 GLU HB3 H 1 1.326 0.01 . 2 . 404 . . 42 GLU HB3 . 25735 1
425 . 1 1 42 42 GLU HG2 H 1 1.782 0.01 . 2 . 405 . . 42 GLU HG2 . 25735 1
426 . 1 1 42 42 GLU HG3 H 1 1.526 0.01 . 2 . 406 . . 42 GLU HG3 . 25735 1
427 . 1 1 42 42 GLU C C 13 174.310 0.10 . 1 . 401 . . 42 GLU C . 25735 1
428 . 1 1 42 42 GLU CA C 13 58.340 0.10 . 1 . 399 . . 42 GLU CA . 25735 1
429 . 1 1 42 42 GLU CB C 13 29.680 0.10 . 1 . 402 . . 42 GLU CB . 25735 1
430 . 1 1 42 42 GLU N N 15 125.080 0.10 . 1 . 397 . . 42 GLU N . 25735 1
431 . 1 1 43 43 GLN H H 1 8.024 0.01 . 1 . 408 . . 43 GLN H . 25735 1
432 . 1 1 43 43 GLN HA H 1 5.020 0.01 . 1 . 410 . . 43 GLN HA . 25735 1
433 . 1 1 43 43 GLN HB2 H 1 1.747 0.01 . 2 . 413 . . 43 GLN HB2 . 25735 1
434 . 1 1 43 43 GLN HB3 H 1 1.874 0.01 . 2 . 414 . . 43 GLN HB3 . 25735 1
435 . 1 1 43 43 GLN HG2 H 1 2.292 0.01 . 2 . 415 . . 43 GLN HG2 . 25735 1
436 . 1 1 43 43 GLN HG3 H 1 2.091 0.01 . 2 . 416 . . 43 GLN HG3 . 25735 1
437 . 1 1 43 43 GLN HE21 H 1 6.436 0.01 . 1 . 418 . . 43 GLN HE21 . 25735 1
438 . 1 1 43 43 GLN HE22 H 1 7.076 0.01 . 1 . 419 . . 43 GLN HE22 . 25735 1
439 . 1 1 43 43 GLN C C 13 175.180 0.10 . 1 . 411 . . 43 GLN C . 25735 1
440 . 1 1 43 43 GLN CA C 13 54.260 0.10 . 1 . 409 . . 43 GLN CA . 25735 1
441 . 1 1 43 43 GLN CB C 13 31.230 0.10 . 1 . 412 . . 43 GLN CB . 25735 1
442 . 1 1 43 43 GLN N N 15 121.870 0.10 . 1 . 407 . . 43 GLN N . 25735 1
443 . 1 1 43 43 GLN NE2 N 15 110.980 0.10 . 1 . 417 . . 43 GLN NE2 . 25735 1
444 . 1 1 44 44 PHE H H 1 9.312 0.01 . 1 . 421 . . 44 PHE H . 25735 1
445 . 1 1 44 44 PHE HA H 1 4.659 0.01 . 1 . 423 . . 44 PHE HA . 25735 1
446 . 1 1 44 44 PHE HB2 H 1 2.355 0.01 . 1 . 426 . . 44 PHE HB2 . 25735 1
447 . 1 1 44 44 PHE HB3 H 1 2.425 0.01 . 1 . 427 . . 44 PHE HB3 . 25735 1
448 . 1 1 44 44 PHE HD1 H 1 6.671 0.01 . 1 . 429 . . 44 PHE HD1 . 25735 1
449 . 1 1 44 44 PHE HD2 H 1 6.671 0.01 . 1 . 430 . . 44 PHE HD2 . 25735 1
450 . 1 1 44 44 PHE HE1 H 1 6.774 0.01 . 1 . 431 . . 44 PHE HE1 . 25735 1
451 . 1 1 44 44 PHE HE2 H 1 6.774 0.01 . 1 . 432 . . 44 PHE HE2 . 25735 1
452 . 1 1 44 44 PHE HZ H 1 6.132 0.01 . 1 . 428 . . 44 PHE HZ . 25735 1
453 . 1 1 44 44 PHE C C 13 172.070 0.10 . 1 . 424 . . 44 PHE C . 25735 1
454 . 1 1 44 44 PHE CA C 13 54.940 0.10 . 1 . 422 . . 44 PHE CA . 25735 1
455 . 1 1 44 44 PHE CB C 13 39.670 0.10 . 1 . 425 . . 44 PHE CB . 25735 1
456 . 1 1 44 44 PHE N N 15 122.850 0.10 . 1 . 420 . . 44 PHE N . 25735 1
457 . 1 1 45 45 PRO HA H 1 3.523 0.01 . 1 . 434 . . 45 PRO HA . 25735 1
458 . 1 1 45 45 PRO HB2 H 1 1.795 0.01 . 2 . 435 . . 45 PRO HB2 . 25735 1
459 . 1 1 45 45 PRO HB3 H 1 1.889 0.01 . 2 . 436 . . 45 PRO HB3 . 25735 1
460 . 1 1 45 45 PRO HG2 H 1 1.920 0.01 . 2 . 437 . . 45 PRO HG2 . 25735 1
461 . 1 1 45 45 PRO HG3 H 1 1.930 0.01 . 2 . 438 . . 45 PRO HG3 . 25735 1
462 . 1 1 45 45 PRO HD2 H 1 3.649 0.01 . 2 . 440 . . 45 PRO HD2 . 25735 1
463 . 1 1 45 45 PRO HD3 H 1 3.458 0.01 . 2 . 441 . . 45 PRO HD3 . 25735 1
464 . 1 1 45 45 PRO CA C 13 61.140 0.10 . 1 . 433 . . 45 PRO CA . 25735 1
465 . 1 1 45 45 PRO CD C 13 48.390 0.10 . 1 . 439 . . 45 PRO CD . 25735 1
466 . 1 1 46 46 PRO HA H 1 4.137 0.01 . 1 . 443 . . 46 PRO HA . 25735 1
467 . 1 1 46 46 PRO HB2 H 1 2.094 0.01 . 2 . 446 . . 46 PRO HB2 . 25735 1
468 . 1 1 46 46 PRO HB3 H 1 1.712 0.01 . 2 . 447 . . 46 PRO HB3 . 25735 1
469 . 1 1 46 46 PRO HG2 H 1 1.711 0.01 . 2 . 448 . . 46 PRO HG2 . 25735 1
470 . 1 1 46 46 PRO HG3 H 1 1.410 0.01 . 2 . 449 . . 46 PRO HG3 . 25735 1
471 . 1 1 46 46 PRO HD2 H 1 3.135 0.01 . 2 . 450 . . 46 PRO HD2 . 25735 1
472 . 1 1 46 46 PRO HD3 H 1 2.397 0.01 . 2 . 451 . . 46 PRO HD3 . 25735 1
473 . 1 1 46 46 PRO C C 13 176.590 0.10 . 1 . 444 . . 46 PRO C . 25735 1
474 . 1 1 46 46 PRO CA C 13 64.330 0.10 . 1 . 442 . . 46 PRO CA . 25735 1
475 . 1 1 46 46 PRO CB C 13 31.760 0.10 . 1 . 445 . . 46 PRO CB . 25735 1
476 . 1 1 47 47 ASP H H 1 8.015 0.01 . 1 . 453 . . 47 ASP H . 25735 1
477 . 1 1 47 47 ASP HA H 1 4.449 0.01 . 1 . 455 . . 47 ASP HA . 25735 1
478 . 1 1 47 47 ASP HB2 H 1 2.752 0.01 . 2 . 458 . . 47 ASP HB2 . 25735 1
479 . 1 1 47 47 ASP HB3 H 1 2.496 0.01 . 2 . 459 . . 47 ASP HB3 . 25735 1
480 . 1 1 47 47 ASP C C 13 175.760 0.10 . 1 . 456 . . 47 ASP C . 25735 1
481 . 1 1 47 47 ASP CA C 13 52.680 0.10 . 1 . 454 . . 47 ASP CA . 25735 1
482 . 1 1 47 47 ASP CB C 13 39.330 0.10 . 1 . 457 . . 47 ASP CB . 25735 1
483 . 1 1 47 47 ASP N N 15 113.300 0.10 . 1 . 452 . . 47 ASP N . 25735 1
484 . 1 1 48 48 TYR H H 1 7.807 0.01 . 1 . 461 . . 48 TYR H . 25735 1
485 . 1 1 48 48 TYR HA H 1 4.174 0.01 . 1 . 463 . . 48 TYR HA . 25735 1
486 . 1 1 48 48 TYR HB2 H 1 2.743 0.01 . 1 . 466 . . 48 TYR HB2 . 25735 1
487 . 1 1 48 48 TYR HB3 H 1 3.141 0.01 . 1 . 467 . . 48 TYR HB3 . 25735 1
488 . 1 1 48 48 TYR HD1 H 1 7.002 0.01 . 1 . 468 . . 48 TYR HD1 . 25735 1
489 . 1 1 48 48 TYR HD2 H 1 7.002 0.01 . 1 . 469 . . 48 TYR HD2 . 25735 1
490 . 1 1 48 48 TYR HE1 H 1 6.556 0.01 . 1 . 470 . . 48 TYR HE1 . 25735 1
491 . 1 1 48 48 TYR HE2 H 1 6.556 0.01 . 1 . 471 . . 48 TYR HE2 . 25735 1
492 . 1 1 48 48 TYR C C 13 175.080 0.10 . 1 . 464 . . 48 TYR C . 25735 1
493 . 1 1 48 48 TYR CA C 13 58.590 0.10 . 1 . 462 . . 48 TYR CA . 25735 1
494 . 1 1 48 48 TYR CB C 13 39.120 0.10 . 1 . 465 . . 48 TYR CB . 25735 1
495 . 1 1 48 48 TYR N N 15 122.500 0.10 . 1 . 460 . . 48 TYR N . 25735 1
496 . 1 1 49 49 ASP H H 1 8.031 0.01 . 1 . 473 . . 49 ASP H . 25735 1
497 . 1 1 49 49 ASP HA H 1 4.282 0.01 . 1 . 475 . . 49 ASP HA . 25735 1
498 . 1 1 49 49 ASP HB2 H 1 2.518 0.01 . 2 . 478 . . 49 ASP HB2 . 25735 1
499 . 1 1 49 49 ASP HB3 H 1 2.457 0.01 . 2 . 479 . . 49 ASP HB3 . 25735 1
500 . 1 1 49 49 ASP C C 13 176.930 0.10 . 1 . 476 . . 49 ASP C . 25735 1
501 . 1 1 49 49 ASP CA C 13 54.620 0.10 . 1 . 474 . . 49 ASP CA . 25735 1
502 . 1 1 49 49 ASP CB C 13 42.230 0.10 . 1 . 477 . . 49 ASP CB . 25735 1
503 . 1 1 49 49 ASP N N 15 125.390 0.10 . 1 . 472 . . 49 ASP N . 25735 1
504 . 1 1 50 50 GLN H H 1 8.890 0.01 . 1 . 481 . . 50 GLN H . 25735 1
505 . 1 1 50 50 GLN HA H 1 3.959 0.01 . 1 . 483 . . 50 GLN HA . 25735 1
506 . 1 1 50 50 GLN HB2 H 1 1.962 0.01 . 2 . 486 . . 50 GLN HB2 . 25735 1
507 . 1 1 50 50 GLN HB3 H 1 2.210 0.01 . 2 . 487 . . 50 GLN HB3 . 25735 1
508 . 1 1 50 50 GLN HG2 H 1 2.427 0.01 . 2 . 488 . . 50 GLN HG2 . 25735 1
509 . 1 1 50 50 GLN HG3 H 1 2.472 0.01 . 2 . 489 . . 50 GLN HG3 . 25735 1
510 . 1 1 50 50 GLN HE21 H 1 6.836 0.01 . 1 . 491 . . 50 GLN HE21 . 25735 1
511 . 1 1 50 50 GLN HE22 H 1 8.125 0.01 . 1 . 492 . . 50 GLN HE22 . 25735 1
512 . 1 1 50 50 GLN C C 13 177.720 0.10 . 1 . 484 . . 50 GLN C . 25735 1
513 . 1 1 50 50 GLN CA C 13 58.650 0.10 . 1 . 482 . . 50 GLN CA . 25735 1
514 . 1 1 50 50 GLN CB C 13 28.110 0.10 . 1 . 485 . . 50 GLN CB . 25735 1
515 . 1 1 50 50 GLN N N 15 127.000 0.10 . 1 . 480 . . 50 GLN N . 25735 1
516 . 1 1 50 50 GLN NE2 N 15 112.200 0.10 . 1 . 490 . . 50 GLN NE2 . 25735 1
517 . 1 1 51 51 GLN H H 1 8.389 0.01 . 1 . 494 . . 51 GLN H . 25735 1
518 . 1 1 51 51 GLN HA H 1 4.132 0.01 . 1 . 496 . . 51 GLN HA . 25735 1
519 . 1 1 51 51 GLN HB2 H 1 2.196 0.01 . 2 . 499 . . 51 GLN HB2 . 25735 1
520 . 1 1 51 51 GLN HB3 H 1 2.070 0.01 . 2 . 500 . . 51 GLN HB3 . 25735 1
521 . 1 1 51 51 GLN HG2 H 1 2.431 0.01 . 2 . 501 . . 51 GLN HG2 . 25735 1
522 . 1 1 51 51 GLN HG3 H 1 2.343 0.01 . 2 . 502 . . 51 GLN HG3 . 25735 1
523 . 1 1 51 51 GLN HE21 H 1 6.867 0.01 . 1 . 504 . . 51 GLN HE21 . 25735 1
524 . 1 1 51 51 GLN HE22 H 1 7.702 0.01 . 1 . 505 . . 51 GLN HE22 . 25735 1
525 . 1 1 51 51 GLN C C 13 178.990 0.10 . 1 . 497 . . 51 GLN C . 25735 1
526 . 1 1 51 51 GLN CA C 13 58.970 0.10 . 1 . 495 . . 51 GLN CA . 25735 1
527 . 1 1 51 51 GLN CB C 13 28.200 0.10 . 1 . 498 . . 51 GLN CB . 25735 1
528 . 1 1 51 51 GLN N N 15 117.640 0.10 . 1 . 493 . . 51 GLN N . 25735 1
529 . 1 1 51 51 GLN NE2 N 15 112.930 0.10 . 1 . 503 . . 51 GLN NE2 . 25735 1
530 . 1 1 52 52 VAL H H 1 7.869 0.01 . 1 . 507 . . 52 VAL H . 25735 1
531 . 1 1 52 52 VAL HA H 1 3.535 0.01 . 1 . 509 . . 52 VAL HA . 25735 1
532 . 1 1 52 52 VAL HB H 1 2.040 0.01 . 1 . 512 . . 52 VAL HB . 25735 1
533 . 1 1 52 52 VAL HG11 H 1 1.007 0.01 . 2 . 513 . . 52 VAL HG11 . 25735 1
534 . 1 1 52 52 VAL HG12 H 1 1.007 0.01 . 2 . 513 . . 52 VAL HG12 . 25735 1
535 . 1 1 52 52 VAL HG13 H 1 1.007 0.01 . 2 . 513 . . 52 VAL HG13 . 25735 1
536 . 1 1 52 52 VAL HG21 H 1 0.948 0.01 . 2 . 514 . . 52 VAL HG21 . 25735 1
537 . 1 1 52 52 VAL HG22 H 1 0.948 0.01 . 2 . 514 . . 52 VAL HG22 . 25735 1
538 . 1 1 52 52 VAL HG23 H 1 0.948 0.01 . 2 . 514 . . 52 VAL HG23 . 25735 1
539 . 1 1 52 52 VAL C C 13 179.260 0.10 . 1 . 510 . . 52 VAL C . 25735 1
540 . 1 1 52 52 VAL CA C 13 66.310 0.10 . 1 . 508 . . 52 VAL CA . 25735 1
541 . 1 1 52 52 VAL CB C 13 31.360 0.10 . 1 . 511 . . 52 VAL CB . 25735 1
542 . 1 1 52 52 VAL N N 15 122.280 0.10 . 1 . 506 . . 52 VAL N . 25735 1
543 . 1 1 53 53 PHE H H 1 8.309 0.01 . 1 . 516 . . 53 PHE H . 25735 1
544 . 1 1 53 53 PHE HA H 1 3.755 0.01 . 1 . 518 . . 53 PHE HA . 25735 1
545 . 1 1 53 53 PHE HB2 H 1 3.120 0.01 . 1 . 521 . . 53 PHE HB2 . 25735 1
546 . 1 1 53 53 PHE HB3 H 1 2.770 0.01 . 1 . 522 . . 53 PHE HB3 . 25735 1
547 . 1 1 53 53 PHE HD1 H 1 6.556 0.01 . 1 . 524 . . 53 PHE HD1 . 25735 1
548 . 1 1 53 53 PHE HD2 H 1 6.556 0.01 . 1 . 525 . . 53 PHE HD2 . 25735 1
549 . 1 1 53 53 PHE HE1 H 1 7.115 0.01 . 1 . 526 . . 53 PHE HE1 . 25735 1
550 . 1 1 53 53 PHE HE2 H 1 7.115 0.01 . 1 . 527 . . 53 PHE HE2 . 25735 1
551 . 1 1 53 53 PHE HZ H 1 7.219 0.01 . 1 . 523 . . 53 PHE HZ . 25735 1
552 . 1 1 53 53 PHE C C 13 176.400 0.10 . 1 . 519 . . 53 PHE C . 25735 1
553 . 1 1 53 53 PHE CA C 13 61.350 0.10 . 1 . 517 . . 53 PHE CA . 25735 1
554 . 1 1 53 53 PHE CB C 13 38.870 0.10 . 1 . 520 . . 53 PHE CB . 25735 1
555 . 1 1 53 53 PHE N N 15 122.090 0.10 . 1 . 515 . . 53 PHE N . 25735 1
556 . 1 1 54 54 GLU H H 1 8.614 0.01 . 1 . 529 . . 54 GLU H . 25735 1
557 . 1 1 54 54 GLU HA H 1 3.661 0.01 . 1 . 531 . . 54 GLU HA . 25735 1
558 . 1 1 54 54 GLU HB2 H 1 2.017 0.01 . 2 . 534 . . 54 GLU HB2 . 25735 1
559 . 1 1 54 54 GLU HB3 H 1 2.110 0.01 . 2 . 535 . . 54 GLU HB3 . 25735 1
560 . 1 1 54 54 GLU HG2 H 1 2.355 0.01 . 2 . 536 . . 54 GLU HG2 . 25735 1
561 . 1 1 54 54 GLU HG3 H 1 2.692 0.01 . 2 . 537 . . 54 GLU HG3 . 25735 1
562 . 1 1 54 54 GLU C C 13 179.470 0.10 . 1 . 532 . . 54 GLU C . 25735 1
563 . 1 1 54 54 GLU CA C 13 59.730 0.10 . 1 . 530 . . 54 GLU CA . 25735 1
564 . 1 1 54 54 GLU CB C 13 28.850 0.10 . 1 . 533 . . 54 GLU CB . 25735 1
565 . 1 1 54 54 GLU N N 15 118.670 0.10 . 1 . 528 . . 54 GLU N . 25735 1
566 . 1 1 55 55 ARG H H 1 7.999 0.01 . 1 . 539 . . 55 ARG H . 25735 1
567 . 1 1 55 55 ARG HA H 1 3.990 0.01 . 1 . 541 . . 55 ARG HA . 25735 1
568 . 1 1 55 55 ARG HB2 H 1 1.928 0.01 . 2 . 544 . . 55 ARG HB2 . 25735 1
569 . 1 1 55 55 ARG HB3 H 1 1.859 0.01 . 2 . 545 . . 55 ARG HB3 . 25735 1
570 . 1 1 55 55 ARG HG2 H 1 1.769 0.01 . 2 . 546 . . 55 ARG HG2 . 25735 1
571 . 1 1 55 55 ARG HG3 H 1 1.604 0.01 . 2 . 547 . . 55 ARG HG3 . 25735 1
572 . 1 1 55 55 ARG HD2 H 1 3.129 0.01 . 2 . 548 . . 55 ARG HD2 . 25735 1
573 . 1 1 55 55 ARG HD3 H 1 3.186 0.01 . 2 . 549 . . 55 ARG HD3 . 25735 1
574 . 1 1 55 55 ARG C C 13 178.850 0.10 . 1 . 542 . . 55 ARG C . 25735 1
575 . 1 1 55 55 ARG CA C 13 59.010 0.10 . 1 . 540 . . 55 ARG CA . 25735 1
576 . 1 1 55 55 ARG CB C 13 29.610 0.10 . 1 . 543 . . 55 ARG CB . 25735 1
577 . 1 1 55 55 ARG N N 15 119.030 0.10 . 1 . 538 . . 55 ARG N . 25735 1
578 . 1 1 56 56 HIS H H 1 7.898 0.01 . 1 . 551 . . 56 HIS H . 25735 1
579 . 1 1 56 56 HIS HA H 1 4.093 0.01 . 1 . 553 . . 56 HIS HA . 25735 1
580 . 1 1 56 56 HIS HB2 H 1 3.514 0.01 . 1 . 556 . . 56 HIS HB2 . 25735 1
581 . 1 1 56 56 HIS HB3 H 1 3.212 0.01 . 1 . 557 . . 56 HIS HB3 . 25735 1
582 . 1 1 56 56 HIS HD2 H 1 6.888 0.01 . 1 . 558 . . 56 HIS HD2 . 25735 1
583 . 1 1 56 56 HIS HE1 H 1 7.926 0.01 . 1 . 559 . . 56 HIS HE1 . 25735 1
584 . 1 1 56 56 HIS C C 13 178.070 0.10 . 1 . 554 . . 56 HIS C . 25735 1
585 . 1 1 56 56 HIS CA C 13 60.140 0.10 . 1 . 552 . . 56 HIS CA . 25735 1
586 . 1 1 56 56 HIS CB C 13 26.620 0.10 . 1 . 555 . . 56 HIS CB . 25735 1
587 . 1 1 56 56 HIS N N 15 119.440 0.10 . 1 . 550 . . 56 HIS N . 25735 1
588 . 1 1 57 57 VAL H H 1 8.128 0.01 . 1 . 561 . . 57 VAL H . 25735 1
589 . 1 1 57 57 VAL HA H 1 3.421 0.01 . 1 . 563 . . 57 VAL HA . 25735 1
590 . 1 1 57 57 VAL HB H 1 1.973 0.01 . 1 . 566 . . 57 VAL HB . 25735 1
591 . 1 1 57 57 VAL HG11 H 1 1.008 0.01 . 2 . 567 . . 57 VAL HG11 . 25735 1
592 . 1 1 57 57 VAL HG12 H 1 1.008 0.01 . 2 . 567 . . 57 VAL HG12 . 25735 1
593 . 1 1 57 57 VAL HG13 H 1 1.008 0.01 . 2 . 567 . . 57 VAL HG13 . 25735 1
594 . 1 1 57 57 VAL HG21 H 1 0.784 0.01 . 2 . 568 . . 57 VAL HG21 . 25735 1
595 . 1 1 57 57 VAL HG22 H 1 0.784 0.01 . 2 . 568 . . 57 VAL HG22 . 25735 1
596 . 1 1 57 57 VAL HG23 H 1 0.784 0.01 . 2 . 568 . . 57 VAL HG23 . 25735 1
597 . 1 1 57 57 VAL C C 13 177.750 0.10 . 1 . 564 . . 57 VAL C . 25735 1
598 . 1 1 57 57 VAL CA C 13 67.190 0.10 . 1 . 562 . . 57 VAL CA . 25735 1
599 . 1 1 57 57 VAL CB C 13 31.500 0.10 . 1 . 565 . . 57 VAL CB . 25735 1
600 . 1 1 57 57 VAL N N 15 121.340 0.10 . 1 . 560 . . 57 VAL N . 25735 1
601 . 1 1 58 58 GLN H H 1 7.689 0.01 . 1 . 570 . . 58 GLN H . 25735 1
602 . 1 1 58 58 GLN HA H 1 3.989 0.01 . 1 . 572 . . 58 GLN HA . 25735 1
603 . 1 1 58 58 GLN HB2 H 1 2.102 0.01 . 1 . 575 . . 58 GLN HB2 . 25735 1
604 . 1 1 58 58 GLN HB3 H 1 2.102 0.01 . 1 . 576 . . 58 GLN HB3 . 25735 1
605 . 1 1 58 58 GLN HG2 H 1 2.480 0.01 . 2 . 577 . . 58 GLN HG2 . 25735 1
606 . 1 1 58 58 GLN HG3 H 1 2.450 0.01 . 2 . 578 . . 58 GLN HG3 . 25735 1
607 . 1 1 58 58 GLN HE21 H 1 6.745 0.01 . 1 . 580 . . 58 GLN HE21 . 25735 1
608 . 1 1 58 58 GLN HE22 H 1 7.602 0.01 . 1 . 581 . . 58 GLN HE22 . 25735 1
609 . 1 1 58 58 GLN C C 13 178.670 0.10 . 1 . 573 . . 58 GLN C . 25735 1
610 . 1 1 58 58 GLN CA C 13 57.670 0.10 . 1 . 571 . . 58 GLN CA . 25735 1
611 . 1 1 58 58 GLN CB C 13 28.050 0.10 . 1 . 574 . . 58 GLN CB . 25735 1
612 . 1 1 58 58 GLN N N 15 114.930 0.10 . 1 . 569 . . 58 GLN N . 25735 1
613 . 1 1 58 58 GLN NE2 N 15 112.600 0.10 . 1 . 579 . . 58 GLN NE2 . 25735 1
614 . 1 1 59 59 THR H H 1 7.622 0.01 . 1 . 583 . . 59 THR H . 25735 1
615 . 1 1 59 59 THR HA H 1 4.075 0.01 . 1 . 585 . . 59 THR HA . 25735 1
616 . 1 1 59 59 THR HB H 1 3.971 0.01 . 1 . 588 . . 59 THR HB . 25735 1
617 . 1 1 59 59 THR HG1 H 1 5.186 0.01 . 1 . 589 . . 59 THR HG1 . 25735 1
618 . 1 1 59 59 THR HG21 H 1 1.260 0.01 . 1 . 590 . . 59 THR HG21 . 25735 1
619 . 1 1 59 59 THR HG22 H 1 1.260 0.01 . 1 . 590 . . 59 THR HG22 . 25735 1
620 . 1 1 59 59 THR HG23 H 1 1.260 0.01 . 1 . 590 . . 59 THR HG23 . 25735 1
621 . 1 1 59 59 THR C C 13 176.280 0.10 . 1 . 586 . . 59 THR C . 25735 1
622 . 1 1 59 59 THR CA C 13 64.980 0.10 . 1 . 584 . . 59 THR CA . 25735 1
623 . 1 1 59 59 THR CB C 13 68.980 0.10 . 1 . 587 . . 59 THR CB . 25735 1
624 . 1 1 59 59 THR N N 15 112.040 0.10 . 1 . 582 . . 59 THR N . 25735 1
625 . 1 1 60 60 HIS H H 1 7.217 0.01 . 1 . 592 . . 60 HIS H . 25735 1
626 . 1 1 60 60 HIS HA H 1 4.332 0.01 . 1 . 594 . . 60 HIS HA . 25735 1
627 . 1 1 60 60 HIS HB2 H 1 2.810 0.01 . 1 . 597 . . 60 HIS HB2 . 25735 1
628 . 1 1 60 60 HIS HB3 H 1 2.853 0.01 . 1 . 598 . . 60 HIS HB3 . 25735 1
629 . 1 1 60 60 HIS HD2 H 1 6.751 0.01 . 1 . 599 . . 60 HIS HD2 . 25735 1
630 . 1 1 60 60 HIS HE1 H 1 7.888 0.01 . 1 . 600 . . 60 HIS HE1 . 25735 1
631 . 1 1 60 60 HIS C C 13 175.080 0.10 . 1 . 595 . . 60 HIS C . 25735 1
632 . 1 1 60 60 HIS CA C 13 56.830 0.10 . 1 . 593 . . 60 HIS CA . 25735 1
633 . 1 1 60 60 HIS CB C 13 28.070 0.10 . 1 . 596 . . 60 HIS CB . 25735 1
634 . 1 1 60 60 HIS N N 15 117.300 0.10 . 1 . 591 . . 60 HIS N . 25735 1
635 . 1 1 61 61 PHE H H 1 7.630 0.01 . 1 . 602 . . 61 PHE H . 25735 1
636 . 1 1 61 61 PHE HA H 1 4.649 0.01 . 1 . 604 . . 61 PHE HA . 25735 1
637 . 1 1 61 61 PHE HB2 H 1 3.305 0.01 . 1 . 607 . . 61 PHE HB2 . 25735 1
638 . 1 1 61 61 PHE HB3 H 1 2.910 0.01 . 1 . 608 . . 61 PHE HB3 . 25735 1
639 . 1 1 61 61 PHE HD1 H 1 7.278 0.01 . 1 . 609 . . 61 PHE HD1 . 25735 1
640 . 1 1 61 61 PHE HD2 H 1 7.278 0.01 . 1 . 610 . . 61 PHE HD2 . 25735 1
641 . 1 1 61 61 PHE HE1 H 1 7.259 0.01 . 1 . 611 . . 61 PHE HE1 . 25735 1
642 . 1 1 61 61 PHE HE2 H 1 7.259 0.01 . 1 . 612 . . 61 PHE HE2 . 25735 1
643 . 1 1 61 61 PHE C C 13 175.550 0.10 . 1 . 605 . . 61 PHE C . 25735 1
644 . 1 1 61 61 PHE CA C 13 57.570 0.10 . 1 . 603 . . 61 PHE CA . 25735 1
645 . 1 1 61 61 PHE CB C 13 39.430 0.10 . 1 . 606 . . 61 PHE CB . 25735 1
646 . 1 1 61 61 PHE N N 15 118.020 0.10 . 1 . 601 . . 61 PHE N . 25735 1
647 . 1 1 62 62 ASP H H 1 7.922 0.01 . 1 . 614 . . 62 ASP H . 25735 1
648 . 1 1 62 62 ASP HA H 1 4.575 0.01 . 1 . 616 . . 62 ASP HA . 25735 1
649 . 1 1 62 62 ASP HB2 H 1 2.593 0.01 . 2 . 619 . . 62 ASP HB2 . 25735 1
650 . 1 1 62 62 ASP HB3 H 1 2.687 0.01 . 2 . 620 . . 62 ASP HB3 . 25735 1
651 . 1 1 62 62 ASP C C 13 176.060 0.10 . 1 . 617 . . 62 ASP C . 25735 1
652 . 1 1 62 62 ASP CA C 13 54.710 0.10 . 1 . 615 . . 62 ASP CA . 25735 1
653 . 1 1 62 62 ASP CB C 13 41.050 0.10 . 1 . 618 . . 62 ASP CB . 25735 1
654 . 1 1 62 62 ASP N N 15 120.940 0.10 . 1 . 613 . . 62 ASP N . 25735 1
655 . 1 1 63 63 GLN H H 1 8.229 0.01 . 1 . 622 . . 63 GLN H . 25735 1
656 . 1 1 63 63 GLN HA H 1 4.334 0.01 . 1 . 624 . . 63 GLN HA . 25735 1
657 . 1 1 63 63 GLN HB2 H 1 2.140 0.01 . 2 . 627 . . 63 GLN HB2 . 25735 1
658 . 1 1 63 63 GLN HB3 H 1 1.937 0.01 . 2 . 628 . . 63 GLN HB3 . 25735 1
659 . 1 1 63 63 GLN HG2 H 1 2.340 0.01 . 1 . 629 . . 63 GLN HG2 . 25735 1
660 . 1 1 63 63 GLN HG3 H 1 2.340 0.01 . 1 . 630 . . 63 GLN HG3 . 25735 1
661 . 1 1 63 63 GLN HE21 H 1 6.816 0.01 . 1 . 632 . . 63 GLN HE21 . 25735 1
662 . 1 1 63 63 GLN HE22 H 1 7.538 0.01 . 1 . 633 . . 63 GLN HE22 . 25735 1
663 . 1 1 63 63 GLN C C 13 174.870 0.10 . 1 . 625 . . 63 GLN C . 25735 1
664 . 1 1 63 63 GLN CA C 13 55.510 0.10 . 1 . 623 . . 63 GLN CA . 25735 1
665 . 1 1 63 63 GLN CB C 13 29.420 0.10 . 1 . 626 . . 63 GLN CB . 25735 1
666 . 1 1 63 63 GLN N N 15 120.340 0.10 . 1 . 621 . . 63 GLN N . 25735 1
667 . 1 1 63 63 GLN NE2 N 15 113.000 0.10 . 1 . 631 . . 63 GLN NE2 . 25735 1
668 . 1 1 64 64 ASN H H 1 8.072 0.01 . 1 . 635 . . 64 ASN H . 25735 1
669 . 1 1 64 64 ASN HA H 1 4.439 0.01 . 1 . 637 . . 64 ASN HA . 25735 1
670 . 1 1 64 64 ASN HB2 H 1 2.636 0.01 . 2 . 640 . . 64 ASN HB2 . 25735 1
671 . 1 1 64 64 ASN HB3 H 1 2.735 0.01 . 2 . 641 . . 64 ASN HB3 . 25735 1
672 . 1 1 64 64 ASN HD21 H 1 6.810 0.01 . 1 . 643 . . 64 ASN HD21 . 25735 1
673 . 1 1 64 64 ASN HD22 H 1 7.514 0.01 . 1 . 644 . . 64 ASN HD22 . 25735 1
674 . 1 1 64 64 ASN C C 13 179.520 0.10 . 1 . 638 . . 64 ASN C . 25735 1
675 . 1 1 64 64 ASN CA C 13 54.840 0.10 . 1 . 636 . . 64 ASN CA . 25735 1
676 . 1 1 64 64 ASN CB C 13 40.430 0.10 . 1 . 639 . . 64 ASN CB . 25735 1
677 . 1 1 64 64 ASN N N 15 125.450 0.10 . 1 . 634 . . 64 ASN N . 25735 1
678 . 1 1 64 64 ASN ND2 N 15 113.050 0.10 . 1 . 642 . . 64 ASN ND2 . 25735 1
stop_
save_