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 16850
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $standart
_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 /home/nmr/Thrx_Norway/Trx_C35S.str'
_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/HMQC' . . . 16850 1
2 'CBCANH (h{CA|Cca}NH)' . . . 16850 1
3 '3D CBCA(CO)NH' . . . 16850 1
4 '3D HNCA' . . . 16850 1
5 '3D HBHA(CO)NH' . . . 16850 1
6 'HBHANH (H{ca|cca}NH)' . . . 16850 1
7 '2D 1H-13C HSQC/HMQC' . . . 16850 1
8 '3D 1H-15N NOESY' . . . 16850 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 $CcpNmr_Analysis_2.1 . . 16850 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.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 3 3 LYS H H 1 8.330 . . 1 . . . . . 3 LYS H . 16850 1
2 . 1 1 3 3 LYS HA H 1 4.230 . . 1 . . . . . 3 LYS HA . 16850 1
3 . 1 1 3 3 LYS CA C 13 55.650 . . 1 . . . . . 3 LYS CA . 16850 1
4 . 1 1 3 3 LYS CB C 13 33.280 . . 1 . . . . . 3 LYS CB . 16850 1
5 . 1 1 3 3 LYS N N 15 128.720 . . 1 . . . . . 3 LYS N . 16850 1
6 . 1 1 4 4 GLN H H 1 8.760 . . 1 . . . . . 4 GLN H . 16850 1
7 . 1 1 4 4 GLN HA H 1 4.330 . . 1 . . . . . 4 GLN HA . 16850 1
8 . 1 1 4 4 GLN CA C 13 54.910 . . 1 . . . . . 4 GLN CA . 16850 1
9 . 1 1 4 4 GLN CB C 13 28.250 . . 1 . . . . . 4 GLN CB . 16850 1
10 . 1 1 4 4 GLN N N 15 127.800 . . 1 . . . . . 4 GLN N . 16850 1
11 . 1 1 5 5 ILE H H 1 8.720 . . 1 . . . . . 5 ILE H . 16850 1
12 . 1 1 5 5 ILE HA H 1 3.970 . . 1 . . . . . 5 ILE HA . 16850 1
13 . 1 1 5 5 ILE HB H 1 1.930 . . 1 . . . . . 5 ILE HB . 16850 1
14 . 1 1 5 5 ILE CA C 13 57.460 . . 1 . . . . . 5 ILE CA . 16850 1
15 . 1 1 5 5 ILE CB C 13 36.000 . . 1 . . . . . 5 ILE CB . 16850 1
16 . 1 1 5 5 ILE N N 15 128.600 . . 1 . . . . . 5 ILE N . 16850 1
17 . 1 1 6 6 GLU H H 1 8.990 . . 1 . . . . . 6 GLU H . 16850 1
18 . 1 1 6 6 GLU HA H 1 4.210 . . 1 . . . . . 6 GLU HA . 16850 1
19 . 1 1 6 6 GLU CA C 13 56.200 . . 1 . . . . . 6 GLU CA . 16850 1
20 . 1 1 6 6 GLU CB C 13 30.780 . . 1 . . . . . 6 GLU CB . 16850 1
21 . 1 1 6 6 GLU N N 15 124.270 . . 1 . . . . . 6 GLU N . 16850 1
22 . 1 1 7 7 SER H H 1 7.380 . . 1 . . . . . 7 SER H . 16850 1
23 . 1 1 7 7 SER HA H 1 4.530 . . 1 . . . . . 7 SER HA . 16850 1
24 . 1 1 7 7 SER HB2 H 1 3.810 . . 2 . . . . . 7 SER HB2 . 16850 1
25 . 1 1 7 7 SER HB3 H 1 3.960 . . 2 . . . . . 7 SER HB3 . 16850 1
26 . 1 1 7 7 SER CA C 13 57.320 . . 1 . . . . . 7 SER CA . 16850 1
27 . 1 1 7 7 SER CB C 13 66.370 . . 1 . . . . . 7 SER CB . 16850 1
28 . 1 1 7 7 SER N N 15 112.420 . . 1 . . . . . 7 SER N . 16850 1
29 . 1 1 8 8 LYS H H 1 9.400 . . 1 . . . . . 8 LYS H . 16850 1
30 . 1 1 8 8 LYS HA H 1 3.610 . . 1 . . . . . 8 LYS HA . 16850 1
31 . 1 1 8 8 LYS CA C 13 59.700 . . 1 . . . . . 8 LYS CA . 16850 1
32 . 1 1 8 8 LYS CB C 13 31.800 . . 1 . . . . . 8 LYS CB . 16850 1
33 . 1 1 8 8 LYS N N 15 123.000 . . 1 . . . . . 8 LYS N . 16850 1
34 . 1 1 9 9 THR H H 1 8.220 . . 1 . . . . . 9 THR H . 16850 1
35 . 1 1 9 9 THR HA H 1 3.680 . . 1 . . . . . 9 THR HA . 16850 1
36 . 1 1 9 9 THR CA C 13 66.400 . . 1 . . . . . 9 THR CA . 16850 1
37 . 1 1 9 9 THR CB C 13 68.300 . . 1 . . . . . 9 THR CB . 16850 1
38 . 1 1 9 9 THR N N 15 116.300 . . 1 . . . . . 9 THR N . 16850 1
39 . 1 1 10 10 ALA H H 1 7.960 . . 1 . . . . . 10 ALA H . 16850 1
40 . 1 1 10 10 ALA HA H 1 3.900 . . 1 . . . . . 10 ALA HA . 16850 1
41 . 1 1 10 10 ALA HB1 H 1 1.300 . . 1 . . . . . 10 ALA HB1 . 16850 1
42 . 1 1 10 10 ALA HB2 H 1 1.300 . . 1 . . . . . 10 ALA HB2 . 16850 1
43 . 1 1 10 10 ALA HB3 H 1 1.300 . . 1 . . . . . 10 ALA HB3 . 16850 1
44 . 1 1 10 10 ALA CA C 13 54.600 . . 1 . . . . . 10 ALA CA . 16850 1
45 . 1 1 10 10 ALA CB C 13 18.400 . . 1 . . . . . 10 ALA CB . 16850 1
46 . 1 1 10 10 ALA N N 15 124.500 . . 1 . . . . . 10 ALA N . 16850 1
47 . 1 1 11 11 PHE H H 1 8.100 . . 1 . . . . . 11 PHE H . 16850 1
48 . 1 1 11 11 PHE HA H 1 3.720 . . 1 . . . . . 11 PHE HA . 16850 1
49 . 1 1 11 11 PHE HB2 H 1 2.780 . . 2 . . . . . 11 PHE HB2 . 16850 1
50 . 1 1 11 11 PHE HB3 H 1 3.100 . . 2 . . . . . 11 PHE HB3 . 16850 1
51 . 1 1 11 11 PHE CA C 13 61.300 . . 1 . . . . . 11 PHE CA . 16850 1
52 . 1 1 11 11 PHE CB C 13 38.900 . . 1 . . . . . 11 PHE CB . 16850 1
53 . 1 1 11 11 PHE N N 15 121.700 . . 1 . . . . . 11 PHE N . 16850 1
54 . 1 1 12 12 GLN H H 1 8.150 . . 1 . . . . . 12 GLN H . 16850 1
55 . 1 1 12 12 GLN HA H 1 3.260 . . 1 . . . . . 12 GLN HA . 16850 1
56 . 1 1 12 12 GLN HB2 H 1 1.840 . . 1 . . . . . 12 GLN HB2 . 16850 1
57 . 1 1 12 12 GLN HB3 H 1 1.840 . . 1 . . . . . 12 GLN HB3 . 16850 1
58 . 1 1 12 12 GLN CA C 13 58.440 . . 1 . . . . . 12 GLN CA . 16850 1
59 . 1 1 12 12 GLN CB C 13 27.960 . . 1 . . . . . 12 GLN CB . 16850 1
60 . 1 1 12 12 GLN N N 15 118.290 . . 1 . . . . . 12 GLN N . 16850 1
61 . 1 1 13 13 GLU H H 1 8.270 . . 1 . . . . . 13 GLU H . 16850 1
62 . 1 1 13 13 GLU HA H 1 3.680 . . 1 . . . . . 13 GLU HA . 16850 1
63 . 1 1 13 13 GLU CA C 13 59.200 . . 1 . . . . . 13 GLU CA . 16850 1
64 . 1 1 13 13 GLU CB C 13 29.100 . . 1 . . . . . 13 GLU CB . 16850 1
65 . 1 1 13 13 GLU N N 15 118.400 . . 1 . . . . . 13 GLU N . 16850 1
66 . 1 1 14 14 ALA H H 1 7.800 . . 1 . . . . . 14 ALA H . 16850 1
67 . 1 1 14 14 ALA HA H 1 3.760 . . 1 . . . . . 14 ALA HA . 16850 1
68 . 1 1 14 14 ALA HB1 H 1 1.010 . . 1 . . . . . 14 ALA HB1 . 16850 1
69 . 1 1 14 14 ALA HB2 H 1 1.010 . . 1 . . . . . 14 ALA HB2 . 16850 1
70 . 1 1 14 14 ALA HB3 H 1 1.010 . . 1 . . . . . 14 ALA HB3 . 16850 1
71 . 1 1 14 14 ALA CA C 13 54.600 . . 1 . . . . . 14 ALA CA . 16850 1
72 . 1 1 14 14 ALA CB C 13 18.010 . . 1 . . . . . 14 ALA CB . 16850 1
73 . 1 1 14 14 ALA N N 15 122.590 . . 1 . . . . . 14 ALA N . 16850 1
74 . 1 1 15 15 LEU H H 1 8.000 . . 1 . . . . . 15 LEU H . 16850 1
75 . 1 1 15 15 LEU HA H 1 3.420 . . 1 . . . . . 15 LEU HA . 16850 1
76 . 1 1 15 15 LEU CA C 13 67.250 . . 1 . . . . . 15 LEU CA . 16850 1
77 . 1 1 15 15 LEU CB C 13 46.340 . . 1 . . . . . 15 LEU CB . 16850 1
78 . 1 1 15 15 LEU N N 15 116.510 . . 1 . . . . . 15 LEU N . 16850 1
79 . 1 1 16 16 ASP H H 1 8.140 . . 1 . . . . . 16 ASP H . 16850 1
80 . 1 1 16 16 ASP HA H 1 4.020 . . 1 . . . . . 16 ASP HA . 16850 1
81 . 1 1 16 16 ASP CA C 13 56.920 . . 1 . . . . . 16 ASP CA . 16850 1
82 . 1 1 16 16 ASP CB C 13 40.400 . . 1 . . . . . 16 ASP CB . 16850 1
83 . 1 1 16 16 ASP N N 15 120.700 . . 1 . . . . . 16 ASP N . 16850 1
84 . 1 1 17 17 ALA H H 1 8.156 . . 1 . . . . . 17 ALA H . 16850 1
85 . 1 1 17 17 ALA HA H 1 3.870 . . 1 . . . . . 17 ALA HA . 16850 1
86 . 1 1 17 17 ALA HB1 H 1 1.140 . . 1 . . . . . 17 ALA HB1 . 16850 1
87 . 1 1 17 17 ALA HB2 H 1 1.140 . . 1 . . . . . 17 ALA HB2 . 16850 1
88 . 1 1 17 17 ALA HB3 H 1 1.140 . . 1 . . . . . 17 ALA HB3 . 16850 1
89 . 1 1 17 17 ALA CA C 13 53.200 . . 1 . . . . . 17 ALA CA . 16850 1
90 . 1 1 17 17 ALA CB C 13 18.230 . . 1 . . . . . 17 ALA CB . 16850 1
91 . 1 1 17 17 ALA N N 15 122.250 . . 1 . . . . . 17 ALA N . 16850 1
92 . 1 1 18 18 ALA H H 1 7.140 . . 1 . . . . . 18 ALA H . 16850 1
93 . 1 1 18 18 ALA HA H 1 3.620 . . 1 . . . . . 18 ALA HA . 16850 1
94 . 1 1 18 18 ALA HB1 H 1 1.060 . . 1 . . . . . 18 ALA HB1 . 16850 1
95 . 1 1 18 18 ALA HB2 H 1 1.060 . . 1 . . . . . 18 ALA HB2 . 16850 1
96 . 1 1 18 18 ALA HB3 H 1 1.060 . . 1 . . . . . 18 ALA HB3 . 16850 1
97 . 1 1 18 18 ALA CA C 13 53.400 . . 1 . . . . . 18 ALA CA . 16850 1
98 . 1 1 18 18 ALA CB C 13 20.250 . . 1 . . . . . 18 ALA CB . 16850 1
99 . 1 1 18 18 ALA N N 15 119.500 . . 1 . . . . . 18 ALA N . 16850 1
100 . 1 1 19 19 GLY H H 1 7.580 . . 1 . . . . . 19 GLY H . 16850 1
101 . 1 1 19 19 GLY HA2 H 1 3.650 . . 2 . . . . . 19 GLY HA2 . 16850 1
102 . 1 1 19 19 GLY HA3 H 1 3.460 . . 2 . . . . . 19 GLY HA3 . 16850 1
103 . 1 1 19 19 GLY CA C 13 47.090 . . 1 . . . . . 19 GLY CA . 16850 1
104 . 1 1 19 19 GLY N N 15 106.750 . . 1 . . . . . 19 GLY N . 16850 1
105 . 1 1 20 20 ASP H H 1 9.061 . . 1 . . . . . 20 ASP H . 16850 1
106 . 1 1 20 20 ASP HA H 1 4.350 . . 1 . . . . . 20 ASP HA . 16850 1
107 . 1 1 20 20 ASP CA C 13 54.010 . . 1 . . . . . 20 ASP CA . 16850 1
108 . 1 1 20 20 ASP CB C 13 40.700 . . 1 . . . . . 20 ASP CB . 16850 1
109 . 1 1 20 20 ASP N N 15 129.600 . . 1 . . . . . 20 ASP N . 16850 1
110 . 1 1 21 21 LYS H H 1 7.810 . . 1 . . . . . 21 LYS H . 16850 1
111 . 1 1 21 21 LYS HA H 1 3.970 . . 1 . . . . . 21 LYS HA . 16850 1
112 . 1 1 21 21 LYS CA C 13 57.290 . . 1 . . . . . 21 LYS CA . 16850 1
113 . 1 1 21 21 LYS CB C 13 33.290 . . 1 . . . . . 21 LYS CB . 16850 1
114 . 1 1 21 21 LYS N N 15 120.217 . . 1 . . . . . 21 LYS N . 16850 1
115 . 1 1 22 22 LEU H H 1 8.730 . . 1 . . . . . 22 LEU H . 16850 1
116 . 1 1 22 22 LEU HA H 1 3.960 . . 1 . . . . . 22 LEU HA . 16850 1
117 . 1 1 22 22 LEU CA C 13 57.260 . . 1 . . . . . 22 LEU CA . 16850 1
118 . 1 1 22 22 LEU CB C 13 33.310 . . 1 . . . . . 22 LEU CB . 16850 1
119 . 1 1 22 22 LEU N N 15 123.540 . . 1 . . . . . 22 LEU N . 16850 1
120 . 1 1 23 23 VAL H H 1 8.920 . . 1 . . . . . 23 VAL H . 16850 1
121 . 1 1 23 23 VAL HA H 1 4.550 . . 1 . . . . . 23 VAL HA . 16850 1
122 . 1 1 23 23 VAL HB H 1 1.660 . . 1 . . . . . 23 VAL HB . 16850 1
123 . 1 1 23 23 VAL CA C 13 60.180 . . 1 . . . . . 23 VAL CA . 16850 1
124 . 1 1 23 23 VAL CB C 13 33.950 . . 1 . . . . . 23 VAL CB . 16850 1
125 . 1 1 23 23 VAL N N 15 126.500 . . 1 . . . . . 23 VAL N . 16850 1
126 . 1 1 24 24 VAL H H 1 9.185 . . 1 . . . . . 24 VAL H . 16850 1
127 . 1 1 24 24 VAL HA H 1 4.200 . . 1 . . . . . 24 VAL HA . 16850 1
128 . 1 1 24 24 VAL HB H 1 1.250 . . 1 . . . . . 24 VAL HB . 16850 1
129 . 1 1 24 24 VAL CA C 13 60.170 . . 1 . . . . . 24 VAL CA . 16850 1
130 . 1 1 24 24 VAL CB C 13 33.152 . . 1 . . . . . 24 VAL CB . 16850 1
131 . 1 1 24 24 VAL N N 15 127.550 . . 1 . . . . . 24 VAL N . 16850 1
132 . 1 1 25 25 VAL H H 1 9.250 . . 1 . . . . . 25 VAL H . 16850 1
133 . 1 1 25 25 VAL HA H 1 4.350 . . 1 . . . . . 25 VAL HA . 16850 1
134 . 1 1 25 25 VAL HB H 1 1.630 . . 1 . . . . . 25 VAL HB . 16850 1
135 . 1 1 25 25 VAL CA C 13 60.450 . . 1 . . . . . 25 VAL CA . 16850 1
136 . 1 1 25 25 VAL CB C 13 33.310 . . 1 . . . . . 25 VAL CB . 16850 1
137 . 1 1 25 25 VAL N N 15 127.600 . . 1 . . . . . 25 VAL N . 16850 1
138 . 1 1 26 26 ASP H H 1 8.410 . . 1 . . . . . 26 ASP H . 16850 1
139 . 1 1 26 26 ASP HA H 1 3.890 . . 1 . . . . . 26 ASP HA . 16850 1
140 . 1 1 26 26 ASP CA C 13 50.900 . . 1 . . . . . 26 ASP CA . 16850 1
141 . 1 1 26 26 ASP CB C 13 37.900 . . 1 . . . . . 26 ASP CB . 16850 1
142 . 1 1 26 26 ASP N N 15 124.290 . . 1 . . . . . 26 ASP N . 16850 1
143 . 1 1 27 27 PHE H H 1 8.340 . . 1 . . . . . 27 PHE H . 16850 1
144 . 1 1 27 27 PHE HA H 1 4.790 . . 1 . . . . . 27 PHE HA . 16850 1
145 . 1 1 27 27 PHE CA C 13 57.870 . . 1 . . . . . 27 PHE CA . 16850 1
146 . 1 1 27 27 PHE CB C 13 38.250 . . 1 . . . . . 27 PHE CB . 16850 1
147 . 1 1 27 27 PHE N N 15 126.420 . . 1 . . . . . 27 PHE N . 16850 1
148 . 1 1 28 28 SER H H 1 8.750 . . 1 . . . . . 28 SER H . 16850 1
149 . 1 1 28 28 SER HA H 1 4.230 . . 1 . . . . . 28 SER HA . 16850 1
150 . 1 1 28 28 SER CA C 13 55.670 . . 1 . . . . . 28 SER CA . 16850 1
151 . 1 1 28 28 SER CB C 13 67.450 . . 1 . . . . . 28 SER CB . 16850 1
152 . 1 1 28 28 SER N N 15 119.500 . . 1 . . . . . 28 SER N . 16850 1
153 . 1 1 29 29 ALA H H 1 6.880 . . 1 . . . . . 29 ALA H . 16850 1
154 . 1 1 29 29 ALA HA H 1 4.320 . . 1 . . . . . 29 ALA HA . 16850 1
155 . 1 1 29 29 ALA CA C 13 50.930 . . 1 . . . . . 29 ALA CA . 16850 1
156 . 1 1 29 29 ALA CB C 13 21.330 . . 1 . . . . . 29 ALA CB . 16850 1
157 . 1 1 29 29 ALA N N 15 117.420 . . 1 . . . . . 29 ALA N . 16850 1
158 . 1 1 30 30 THR H H 1 9.680 . . 1 . . . . . 30 THR H . 16850 1
159 . 1 1 30 30 THR HA H 1 3.500 . . 1 . . . . . 30 THR HA . 16850 1
160 . 1 1 30 30 THR HB H 1 4.320 . . 1 . . . . . 30 THR HB . 16850 1
161 . 1 1 30 30 THR CA C 13 64.710 . . 1 . . . . . 30 THR CA . 16850 1
162 . 1 1 30 30 THR CB C 13 69.116 . . 1 . . . . . 30 THR CB . 16850 1
163 . 1 1 30 30 THR N N 15 116.930 . . 1 . . . . . 30 THR N . 16850 1
164 . 1 1 31 31 TRP H H 1 6.490 . . 1 . . . . . 31 TRP H . 16850 1
165 . 1 1 31 31 TRP HA H 1 4.300 . . 1 . . . . . 31 TRP HA . 16850 1
166 . 1 1 31 31 TRP HB2 H 1 2.820 . . 2 . . . . . 31 TRP HB2 . 16850 1
167 . 1 1 31 31 TRP HB3 H 1 3.370 . . 2 . . . . . 31 TRP HB3 . 16850 1
168 . 1 1 31 31 TRP CA C 13 53.260 . . 1 . . . . . 31 TRP CA . 16850 1
169 . 1 1 31 31 TRP CB C 13 29.110 . . 1 . . . . . 31 TRP CB . 16850 1
170 . 1 1 31 31 TRP N N 15 115.150 . . 1 . . . . . 31 TRP N . 16850 1
171 . 1 1 32 32 CYS H H 1 6.590 . . 1 . . . . . 32 CYS H . 16850 1
172 . 1 1 32 32 CYS HA H 1 4.280 . . 1 . . . . . 32 CYS HA . 16850 1
173 . 1 1 32 32 CYS CA C 13 57.460 . . 1 . . . . . 32 CYS CA . 16850 1
174 . 1 1 32 32 CYS CB C 13 26.370 . . 1 . . . . . 32 CYS CB . 16850 1
175 . 1 1 32 32 CYS N N 15 123.230 . . 1 . . . . . 32 CYS N . 16850 1
176 . 1 1 33 33 GLY H H 1 9.430 . . 1 . . . . . 33 GLY H . 16850 1
177 . 1 1 33 33 GLY HA2 H 1 3.600 . . 2 . . . . . 33 GLY HA2 . 16850 1
178 . 1 1 33 33 GLY HA3 H 1 3.930 . . 2 . . . . . 33 GLY HA3 . 16850 1
179 . 1 1 33 33 GLY CA C 13 48.770 . . 1 . . . . . 33 GLY CA . 16850 1
180 . 1 1 33 33 GLY N N 15 120.270 . . 1 . . . . . 33 GLY N . 16850 1
181 . 1 1 35 35 SER H H 1 7.493 . . 1 . . . . . 35 SER H . 16850 1
182 . 1 1 35 35 SER HA H 1 4.240 . . 1 . . . . . 35 SER HA . 16850 1
183 . 1 1 35 35 SER HB2 H 1 1.427 . . 2 . . . . . 35 SER HB2 . 16850 1
184 . 1 1 35 35 SER HB3 H 1 1.000 . . 2 . . . . . 35 SER HB3 . 16850 1
185 . 1 1 35 35 SER CA C 13 57.294 . . 1 . . . . . 35 SER CA . 16850 1
186 . 1 1 35 35 SER CB C 13 66.224 . . 1 . . . . . 35 SER CB . 16850 1
187 . 1 1 35 35 SER N N 15 112.554 . . 1 . . . . . 35 SER N . 16850 1
188 . 1 1 36 36 LYS H H 1 7.530 . . 1 . . . . . 36 LYS H . 16850 1
189 . 1 1 36 36 LYS HA H 1 2.870 . . 1 . . . . . 36 LYS HA . 16850 1
190 . 1 1 36 36 LYS CA C 13 66.650 . . 1 . . . . . 36 LYS CA . 16850 1
191 . 1 1 36 36 LYS CB C 13 38.557 . . 1 . . . . . 36 LYS CB . 16850 1
192 . 1 1 36 36 LYS N N 15 121.460 . . 1 . . . . . 36 LYS N . 16850 1
193 . 1 1 37 37 MET H H 1 7.760 . . 1 . . . . . 37 MET H . 16850 1
194 . 1 1 37 37 MET HA H 1 3.940 . . 1 . . . . . 37 MET HA . 16850 1
195 . 1 1 37 37 MET HB2 H 1 2.490 . . 2 . . . . . 37 MET HB2 . 16850 1
196 . 1 1 37 37 MET HB3 H 1 2.370 . . 2 . . . . . 37 MET HB3 . 16850 1
197 . 1 1 37 37 MET CA C 13 56.850 . . 1 . . . . . 37 MET CA . 16850 1
198 . 1 1 37 37 MET CB C 13 38.810 . . 1 . . . . . 37 MET CB . 16850 1
199 . 1 1 37 37 MET N N 15 115.200 . . 1 . . . . . 37 MET N . 16850 1
200 . 1 1 38 38 ILE H H 1 7.620 . . 1 . . . . . 38 ILE H . 16850 1
201 . 1 1 38 38 ILE HA H 1 4.280 . . 1 . . . . . 38 ILE HA . 16850 1
202 . 1 1 38 38 ILE HB H 1 1.670 . . 1 . . . . . 38 ILE HB . 16850 1
203 . 1 1 38 38 ILE CA C 13 60.800 . . 1 . . . . . 38 ILE CA . 16850 1
204 . 1 1 38 38 ILE CB C 13 40.143 . . 1 . . . . . 38 ILE CB . 16850 1
205 . 1 1 38 38 ILE N N 15 117.080 . . 1 . . . . . 38 ILE N . 16850 1
206 . 1 1 39 39 LYS H H 1 7.467 . . 1 . . . . . 39 LYS H . 16850 1
207 . 1 1 39 39 LYS HA H 1 3.930 . . 1 . . . . . 39 LYS HA . 16850 1
208 . 1 1 39 39 LYS CA C 13 62.015 . . 1 . . . . . 39 LYS CA . 16850 1
209 . 1 1 39 39 LYS CB C 13 29.090 . . 1 . . . . . 39 LYS CB . 16850 1
210 . 1 1 39 39 LYS N N 15 125.614 . . 1 . . . . . 39 LYS N . 16850 1
211 . 1 1 41 41 PHE H H 1 7.500 . . 1 . . . . . 41 PHE H . 16850 1
212 . 1 1 41 41 PHE HA H 1 4.160 . . 1 . . . . . 41 PHE HA . 16850 1
213 . 1 1 41 41 PHE CA C 13 60.800 . . 1 . . . . . 41 PHE CA . 16850 1
214 . 1 1 41 41 PHE CB C 13 39.040 . . 1 . . . . . 41 PHE CB . 16850 1
215 . 1 1 41 41 PHE N N 15 120.730 . . 1 . . . . . 41 PHE N . 16850 1
216 . 1 1 42 42 PHE H H 1 8.580 . . 1 . . . . . 42 PHE H . 16850 1
217 . 1 1 42 42 PHE HA H 1 3.650 . . 1 . . . . . 42 PHE HA . 16850 1
218 . 1 1 42 42 PHE CA C 13 62.590 . . 1 . . . . . 42 PHE CA . 16850 1
219 . 1 1 42 42 PHE CB C 13 39.200 . . 1 . . . . . 42 PHE CB . 16850 1
220 . 1 1 42 42 PHE N N 15 123.100 . . 1 . . . . . 42 PHE N . 16850 1
221 . 1 1 43 43 HIS H H 1 8.340 . . 1 . . . . . 43 HIS H . 16850 1
222 . 1 1 43 43 HIS HA H 1 3.500 . . 1 . . . . . 43 HIS HA . 16850 1
223 . 1 1 43 43 HIS CA C 13 59.920 . . 1 . . . . . 43 HIS CA . 16850 1
224 . 1 1 43 43 HIS CB C 13 29.100 . . 1 . . . . . 43 HIS CB . 16850 1
225 . 1 1 43 43 HIS N N 15 115.800 . . 1 . . . . . 43 HIS N . 16850 1
226 . 1 1 44 44 SER H H 1 8.320 . . 1 . . . . . 44 SER H . 16850 1
227 . 1 1 44 44 SER HA H 1 3.830 . . 1 . . . . . 44 SER HA . 16850 1
228 . 1 1 44 44 SER CA C 13 61.880 . . 1 . . . . . 44 SER CA . 16850 1
229 . 1 1 44 44 SER CB C 13 62.620 . . 1 . . . . . 44 SER CB . 16850 1
230 . 1 1 44 44 SER N N 15 119.450 . . 1 . . . . . 44 SER N . 16850 1
231 . 1 1 45 45 LEU H H 1 8.024 . . 1 . . . . . 45 LEU H . 16850 1
232 . 1 1 45 45 LEU HA H 1 3.720 . . 1 . . . . . 45 LEU HA . 16850 1
233 . 1 1 45 45 LEU CA C 13 57.730 . . 1 . . . . . 45 LEU CA . 16850 1
234 . 1 1 45 45 LEU CB C 13 31.690 . . 1 . . . . . 45 LEU CB . 16850 1
235 . 1 1 45 45 LEU N N 15 117.710 . . 1 . . . . . 45 LEU N . 16850 1
236 . 1 1 46 46 SER H H 1 6.720 . . 1 . . . . . 46 SER H . 16850 1
237 . 1 1 46 46 SER HA H 1 5.100 . . 1 . . . . . 46 SER HA . 16850 1
238 . 1 1 46 46 SER CA C 13 59.970 . . 1 . . . . . 46 SER CA . 16850 1
239 . 1 1 46 46 SER CB C 13 62.660 . . 1 . . . . . 46 SER CB . 16850 1
240 . 1 1 46 46 SER N N 15 115.526 . . 1 . . . . . 46 SER N . 16850 1
241 . 1 1 47 47 GLU H H 1 6.770 . . 1 . . . . . 47 GLU H . 16850 1
242 . 1 1 47 47 GLU HA H 1 3.710 . . 1 . . . . . 47 GLU HA . 16850 1
243 . 1 1 47 47 GLU CA C 13 57.280 . . 1 . . . . . 47 GLU CA . 16850 1
244 . 1 1 47 47 GLU CB C 13 29.330 . . 1 . . . . . 47 GLU CB . 16850 1
245 . 1 1 47 47 GLU N N 15 119.470 . . 1 . . . . . 47 GLU N . 16850 1
246 . 1 1 48 48 LYS H H 1 7.140 . . 1 . . . . . 48 LYS H . 16850 1
247 . 1 1 48 48 LYS HA H 1 3.700 . . 1 . . . . . 48 LYS HA . 16850 1
248 . 1 1 48 48 LYS CA C 13 57.690 . . 1 . . . . . 48 LYS CA . 16850 1
249 . 1 1 48 48 LYS CB C 13 33.940 . . 1 . . . . . 48 LYS CB . 16850 1
250 . 1 1 48 48 LYS N N 15 120.050 . . 1 . . . . . 48 LYS N . 16850 1
251 . 1 1 49 49 TYR H H 1 7.890 . . 1 . . . . . 49 TYR H . 16850 1
252 . 1 1 49 49 TYR HA H 1 4.500 . . 1 . . . . . 49 TYR HA . 16850 1
253 . 1 1 49 49 TYR CA C 13 56.540 . . 1 . . . . . 49 TYR CA . 16850 1
254 . 1 1 49 49 TYR CB C 13 37.110 . . 1 . . . . . 49 TYR CB . 16850 1
255 . 1 1 49 49 TYR N N 15 119.550 . . 1 . . . . . 49 TYR N . 16850 1
256 . 1 1 50 50 SER H H 1 7.830 . . 1 . . . . . 50 SER H . 16850 1
257 . 1 1 50 50 SER HA H 1 4.130 . . 1 . . . . . 50 SER HA . 16850 1
258 . 1 1 50 50 SER HB2 H 1 3.590 . . 2 . . . . . 50 SER HB2 . 16850 1
259 . 1 1 50 50 SER HB3 H 1 3.720 . . 2 . . . . . 50 SER HB3 . 16850 1
260 . 1 1 50 50 SER CA C 13 60.350 . . 1 . . . . . 50 SER CA . 16850 1
261 . 1 1 50 50 SER CB C 13 63.240 . . 1 . . . . . 50 SER CB . 16850 1
262 . 1 1 50 50 SER N N 15 115.830 . . 1 . . . . . 50 SER N . 16850 1
263 . 1 1 51 51 ASN H H 1 9.070 . . 1 . . . . . 51 ASN H . 16850 1
264 . 1 1 51 51 ASN HA H 1 4.520 . . 1 . . . . . 51 ASN HA . 16850 1
265 . 1 1 51 51 ASN CA C 13 52.870 . . 1 . . . . . 51 ASN CA . 16850 1
266 . 1 1 51 51 ASN CB C 13 37.540 . . 1 . . . . . 51 ASN CB . 16850 1
267 . 1 1 51 51 ASN N N 15 119.210 . . 1 . . . . . 51 ASN N . 16850 1
268 . 1 1 52 52 VAL H H 1 7.520 . . 1 . . . . . 52 VAL H . 16850 1
269 . 1 1 52 52 VAL HA H 1 4.100 . . 1 . . . . . 52 VAL HA . 16850 1
270 . 1 1 52 52 VAL HB H 1 1.800 . . 1 . . . . . 52 VAL HB . 16850 1
271 . 1 1 52 52 VAL CA C 13 60.770 . . 1 . . . . . 52 VAL CA . 16850 1
272 . 1 1 52 52 VAL CB C 13 34.160 . . 1 . . . . . 52 VAL CB . 16850 1
273 . 1 1 52 52 VAL N N 15 122.150 . . 1 . . . . . 52 VAL N . 16850 1
274 . 1 1 53 53 ILE H H 1 8.790 . . 1 . . . . . 53 ILE H . 16850 1
275 . 1 1 53 53 ILE HA H 1 4.100 . . 1 . . . . . 53 ILE HA . 16850 1
276 . 1 1 53 53 ILE HB H 1 1.590 . . 1 . . . . . 53 ILE HB . 16850 1
277 . 1 1 53 53 ILE CA C 13 59.870 . . 1 . . . . . 53 ILE CA . 16850 1
278 . 1 1 53 53 ILE CB C 13 38.340 . . 1 . . . . . 53 ILE CB . 16850 1
279 . 1 1 53 53 ILE N N 15 128.560 . . 1 . . . . . 53 ILE N . 16850 1
280 . 1 1 54 54 PHE H H 1 8.670 . . 1 . . . . . 54 PHE H . 16850 1
281 . 1 1 54 54 PHE HA H 1 4.960 . . 1 . . . . . 54 PHE HA . 16850 1
282 . 1 1 54 54 PHE CA C 13 56.550 . . 1 . . . . . 54 PHE CA . 16850 1
283 . 1 1 54 54 PHE CB C 13 40.350 . . 1 . . . . . 54 PHE CB . 16850 1
284 . 1 1 54 54 PHE N N 15 126.910 . . 1 . . . . . 54 PHE N . 16850 1
285 . 1 1 55 55 LEU H H 1 9.380 . . 1 . . . . . 55 LEU H . 16850 1
286 . 1 1 55 55 LEU HA H 1 4.950 . . 1 . . . . . 55 LEU HA . 16850 1
287 . 1 1 55 55 LEU CA C 13 56.520 . . 1 . . . . . 55 LEU CA . 16850 1
288 . 1 1 55 55 LEU CB C 13 40.370 . . 1 . . . . . 55 LEU CB . 16850 1
289 . 1 1 55 55 LEU N N 15 123.110 . . 1 . . . . . 55 LEU N . 16850 1
290 . 1 1 56 56 GLU H H 1 8.480 . . 1 . . . . . 56 GLU H . 16850 1
291 . 1 1 56 56 GLU HA H 1 4.720 . . 1 . . . . . 56 GLU HA . 16850 1
292 . 1 1 56 56 GLU HB2 H 1 1.074 . . 2 . . . . . 56 GLU HB2 . 16850 1
293 . 1 1 56 56 GLU HB3 H 1 1.500 . . 2 . . . . . 56 GLU HB3 . 16850 1
294 . 1 1 56 56 GLU CA C 13 54.700 . . 1 . . . . . 56 GLU CA . 16850 1
295 . 1 1 56 56 GLU CB C 13 33.080 . . 1 . . . . . 56 GLU CB . 16850 1
296 . 1 1 56 56 GLU N N 15 122.370 . . 1 . . . . . 56 GLU N . 16850 1
297 . 1 1 57 57 VAL H H 1 8.420 . . 1 . . . . . 57 VAL H . 16850 1
298 . 1 1 57 57 VAL HA H 1 3.710 . . 1 . . . . . 57 VAL HA . 16850 1
299 . 1 1 57 57 VAL HB H 1 1.010 . . 1 . . . . . 57 VAL HB . 16850 1
300 . 1 1 57 57 VAL CA C 13 60.680 . . 1 . . . . . 57 VAL CA . 16850 1
301 . 1 1 57 57 VAL CB C 13 29.630 . . 1 . . . . . 57 VAL CB . 16850 1
302 . 1 1 57 57 VAL N N 15 126.130 . . 1 . . . . . 57 VAL N . 16850 1
303 . 1 1 58 58 ASP H H 1 9.049 . . 1 . . . . . 58 ASP H . 16850 1
304 . 1 1 58 58 ASP HA H 1 4.700 . . 1 . . . . . 58 ASP HA . 16850 1
305 . 1 1 58 58 ASP CA C 13 52.837 . . 1 . . . . . 58 ASP CA . 16850 1
306 . 1 1 58 58 ASP CB C 13 42.270 . . 1 . . . . . 58 ASP CB . 16850 1
307 . 1 1 58 58 ASP N N 15 129.593 . . 1 . . . . . 58 ASP N . 16850 1
308 . 1 1 59 59 VAL H H 1 8.740 . . 1 . . . . . 59 VAL H . 16850 1
309 . 1 1 59 59 VAL HA H 1 3.350 . . 1 . . . . . 59 VAL HA . 16850 1
310 . 1 1 59 59 VAL CA C 13 64.550 . . 1 . . . . . 59 VAL CA . 16850 1
311 . 1 1 59 59 VAL CB C 13 30.416 . . 1 . . . . . 59 VAL CB . 16850 1
312 . 1 1 59 59 VAL N N 15 120.599 . . 1 . . . . . 59 VAL N . 16850 1
313 . 1 1 60 60 ASP H H 1 8.330 . . 1 . . . . . 60 ASP H . 16850 1
314 . 1 1 60 60 ASP HA H 1 4.520 . . 1 . . . . . 60 ASP HA . 16850 1
315 . 1 1 60 60 ASP HB2 H 1 2.430 . . 2 . . . . . 60 ASP HB2 . 16850 1
316 . 1 1 60 60 ASP HB3 H 1 2.620 . . 2 . . . . . 60 ASP HB3 . 16850 1
317 . 1 1 60 60 ASP CA C 13 56.287 . . 1 . . . . . 60 ASP CA . 16850 1
318 . 1 1 60 60 ASP CB C 13 40.792 . . 1 . . . . . 60 ASP CB . 16850 1
319 . 1 1 60 60 ASP N N 15 120.370 . . 1 . . . . . 60 ASP N . 16850 1
320 . 1 1 61 61 ASP H H 1 8.493 . . 1 . . . . . 61 ASP H . 16850 1
321 . 1 1 61 61 ASP HA H 1 4.280 . . 1 . . . . . 61 ASP HA . 16850 1
322 . 1 1 61 61 ASP CA C 13 56.076 . . 1 . . . . . 61 ASP CA . 16850 1
323 . 1 1 61 61 ASP CB C 13 40.930 . . 1 . . . . . 61 ASP CB . 16850 1
324 . 1 1 61 61 ASP N N 15 122.040 . . 1 . . . . . 61 ASP N . 16850 1
325 . 1 1 62 62 CYS H H 1 8.120 . . 1 . . . . . 62 CYS H . 16850 1
326 . 1 1 62 62 CYS HA H 1 4.590 . . 1 . . . . . 62 CYS HA . 16850 1
327 . 1 1 62 62 CYS CA C 13 56.070 . . 1 . . . . . 62 CYS CA . 16850 1
328 . 1 1 62 62 CYS CB C 13 26.190 . . 1 . . . . . 62 CYS CB . 16850 1
329 . 1 1 62 62 CYS N N 15 120.480 . . 1 . . . . . 62 CYS N . 16850 1
330 . 1 1 63 63 GLN H H 1 8.130 . . 1 . . . . . 63 GLN H . 16850 1
331 . 1 1 63 63 GLN HA H 1 3.840 . . 1 . . . . . 63 GLN HA . 16850 1
332 . 1 1 63 63 GLN CA C 13 59.080 . . 1 . . . . . 63 GLN CA . 16850 1
333 . 1 1 63 63 GLN CB C 13 28.400 . . 1 . . . . . 63 GLN CB . 16850 1
334 . 1 1 63 63 GLN N N 15 123.600 . . 1 . . . . . 63 GLN N . 16850 1
335 . 1 1 64 64 ASP H H 1 8.900 . . 1 . . . . . 64 ASP H . 16850 1
336 . 1 1 64 64 ASP HA H 1 4.030 . . 1 . . . . . 64 ASP HA . 16850 1
337 . 1 1 64 64 ASP HB2 H 1 2.330 . . 2 . . . . . 64 ASP HB2 . 16850 1
338 . 1 1 64 64 ASP HB3 H 1 2.500 . . 2 . . . . . 64 ASP HB3 . 16850 1
339 . 1 1 64 64 ASP CA C 13 56.210 . . 1 . . . . . 64 ASP CA . 16850 1
340 . 1 1 64 64 ASP CB C 13 38.550 . . 1 . . . . . 64 ASP CB . 16850 1
341 . 1 1 64 64 ASP N N 15 118.700 . . 1 . . . . . 64 ASP N . 16850 1
342 . 1 1 65 65 VAL H H 1 7.580 . . 1 . . . . . 65 VAL H . 16850 1
343 . 1 1 65 65 VAL HA H 1 3.200 . . 1 . . . . . 65 VAL HA . 16850 1
344 . 1 1 65 65 VAL HB H 1 1.500 . . 1 . . . . . 65 VAL HB . 16850 1
345 . 1 1 65 65 VAL CA C 13 65.800 . . 1 . . . . . 65 VAL CA . 16850 1
346 . 1 1 65 65 VAL CB C 13 31.200 . . 1 . . . . . 65 VAL CB . 16850 1
347 . 1 1 65 65 VAL N N 15 122.800 . . 1 . . . . . 65 VAL N . 16850 1
348 . 1 1 66 66 ALA H H 1 7.670 . . 1 . . . . . 66 ALA H . 16850 1
349 . 1 1 66 66 ALA HA H 1 3.240 . . 1 . . . . . 66 ALA HA . 16850 1
350 . 1 1 66 66 ALA HB1 H 1 1.050 . . 1 . . . . . 66 ALA HB1 . 16850 1
351 . 1 1 66 66 ALA HB2 H 1 1.050 . . 1 . . . . . 66 ALA HB2 . 16850 1
352 . 1 1 66 66 ALA HB3 H 1 1.050 . . 1 . . . . . 66 ALA HB3 . 16850 1
353 . 1 1 66 66 ALA CA C 13 55.500 . . 1 . . . . . 66 ALA CA . 16850 1
354 . 1 1 66 66 ALA CB C 13 17.940 . . 1 . . . . . 66 ALA CB . 16850 1
355 . 1 1 66 66 ALA N N 15 121.000 . . 1 . . . . . 66 ALA N . 16850 1
356 . 1 1 67 67 SER H H 1 8.200 . . 1 . . . . . 67 SER H . 16850 1
357 . 1 1 67 67 SER HA H 1 3.960 . . 1 . . . . . 67 SER HA . 16850 1
358 . 1 1 67 67 SER CA C 13 61.170 . . 1 . . . . . 67 SER CA . 16850 1
359 . 1 1 67 67 SER CB C 13 62.480 . . 1 . . . . . 67 SER CB . 16850 1
360 . 1 1 67 67 SER N N 15 112.070 . . 1 . . . . . 67 SER N . 16850 1
361 . 1 1 68 68 GLU H H 1 8.100 . . 1 . . . . . 68 GLU H . 16850 1
362 . 1 1 68 68 GLU HA H 1 3.800 . . 1 . . . . . 68 GLU HA . 16850 1
363 . 1 1 68 68 GLU CA C 13 59.420 . . 1 . . . . . 68 GLU CA . 16850 1
364 . 1 1 68 68 GLU CB C 13 28.800 . . 1 . . . . . 68 GLU CB . 16850 1
365 . 1 1 68 68 GLU N N 15 124.800 . . 1 . . . . . 68 GLU N . 16850 1
366 . 1 1 69 69 CYS H H 1 7.800 . . 1 . . . . . 69 CYS H . 16850 1
367 . 1 1 69 69 CYS HA H 1 4.200 . . 1 . . . . . 69 CYS HA . 16850 1
368 . 1 1 69 69 CYS CA C 13 60.800 . . 1 . . . . . 69 CYS CA . 16850 1
369 . 1 1 69 69 CYS CB C 13 27.400 . . 1 . . . . . 69 CYS CB . 16850 1
370 . 1 1 69 69 CYS N N 15 115.270 . . 1 . . . . . 69 CYS N . 16850 1
371 . 1 1 70 70 GLU H H 1 7.730 . . 1 . . . . . 70 GLU H . 16850 1
372 . 1 1 70 70 GLU HA H 1 3.460 . . 1 . . . . . 70 GLU HA . 16850 1
373 . 1 1 70 70 GLU CA C 13 56.650 . . 1 . . . . . 70 GLU CA . 16850 1
374 . 1 1 70 70 GLU CB C 13 26.600 . . 1 . . . . . 70 GLU CB . 16850 1
375 . 1 1 70 70 GLU N N 15 117.820 . . 1 . . . . . 70 GLU N . 16850 1
376 . 1 1 71 71 VAL H H 1 7.570 . . 1 . . . . . 71 VAL H . 16850 1
377 . 1 1 71 71 VAL HA H 1 3.160 . . 1 . . . . . 71 VAL HA . 16850 1
378 . 1 1 71 71 VAL HB H 1 1.100 . . 1 . . . . . 71 VAL HB . 16850 1
379 . 1 1 71 71 VAL CA C 13 64.210 . . 1 . . . . . 71 VAL CA . 16850 1
380 . 1 1 71 71 VAL CB C 13 30.910 . . 1 . . . . . 71 VAL CB . 16850 1
381 . 1 1 71 71 VAL N N 15 119.870 . . 1 . . . . . 71 VAL N . 16850 1
382 . 1 1 72 72 LYS H H 1 8.830 . . 1 . . . . . 72 LYS H . 16850 1
383 . 1 1 72 72 LYS HA H 1 4.140 . . 1 . . . . . 72 LYS HA . 16850 1
384 . 1 1 72 72 LYS HB2 H 1 1.300 . . 2 . . . . . 72 LYS HB2 . 16850 1
385 . 1 1 72 72 LYS HB3 H 1 1.600 . . 2 . . . . . 72 LYS HB3 . 16850 1
386 . 1 1 72 72 LYS CA C 13 55.900 . . 1 . . . . . 72 LYS CA . 16850 1
387 . 1 1 72 72 LYS CB C 13 34.500 . . 1 . . . . . 72 LYS CB . 16850 1
388 . 1 1 72 72 LYS N N 15 128.080 . . 1 . . . . . 72 LYS N . 16850 1
389 . 1 1 73 73 CYS H H 1 7.600 . . 1 . . . . . 73 CYS H . 16850 1
390 . 1 1 73 73 CYS HA H 1 4.310 . . 1 . . . . . 73 CYS HA . 16850 1
391 . 1 1 73 73 CYS HB2 H 1 2.490 . . 1 . . . . . 73 CYS HB2 . 16850 1
392 . 1 1 73 73 CYS HB3 H 1 2.490 . . 1 . . . . . 73 CYS HB3 . 16850 1
393 . 1 1 73 73 CYS CA C 13 57.138 . . 1 . . . . . 73 CYS CA . 16850 1
394 . 1 1 73 73 CYS CB C 13 28.820 . . 1 . . . . . 73 CYS CB . 16850 1
395 . 1 1 73 73 CYS N N 15 117.600 . . 1 . . . . . 73 CYS N . 16850 1
396 . 1 1 74 74 MET H H 1 8.620 . . 1 . . . . . 74 MET H . 16850 1
397 . 1 1 74 74 MET HA H 1 4.520 . . 1 . . . . . 74 MET HA . 16850 1
398 . 1 1 74 74 MET CA C 13 52.360 . . 1 . . . . . 74 MET CA . 16850 1
399 . 1 1 74 74 MET CB C 13 33.580 . . 1 . . . . . 74 MET CB . 16850 1
400 . 1 1 74 74 MET N N 15 122.200 . . 1 . . . . . 74 MET N . 16850 1
401 . 1 1 76 76 THR H H 1 7.440 . . 1 . . . . . 76 THR H . 16850 1
402 . 1 1 76 76 THR HA H 1 4.440 . . 1 . . . . . 76 THR HA . 16850 1
403 . 1 1 76 76 THR HB H 1 3.520 . . 1 . . . . . 76 THR HB . 16850 1
404 . 1 1 76 76 THR CA C 13 63.070 . . 1 . . . . . 76 THR CA . 16850 1
405 . 1 1 76 76 THR CB C 13 72.790 . . 1 . . . . . 76 THR CB . 16850 1
406 . 1 1 76 76 THR N N 15 116.790 . . 1 . . . . . 76 THR N . 16850 1
407 . 1 1 77 77 PHE H H 1 8.860 . . 1 . . . . . 77 PHE H . 16850 1
408 . 1 1 77 77 PHE HA H 1 5.430 . . 1 . . . . . 77 PHE HA . 16850 1
409 . 1 1 77 77 PHE HB2 H 1 1.980 . . 2 . . . . . 77 PHE HB2 . 16850 1
410 . 1 1 77 77 PHE HB3 H 1 2.140 . . 2 . . . . . 77 PHE HB3 . 16850 1
411 . 1 1 77 77 PHE CA C 13 55.360 . . 1 . . . . . 77 PHE CA . 16850 1
412 . 1 1 77 77 PHE CB C 13 40.900 . . 1 . . . . . 77 PHE CB . 16850 1
413 . 1 1 77 77 PHE N N 15 125.300 . . 1 . . . . . 77 PHE N . 16850 1
414 . 1 1 78 78 GLN H H 1 8.670 . . 1 . . . . . 78 GLN H . 16850 1
415 . 1 1 78 78 GLN HA H 1 4.690 . . 1 . . . . . 78 GLN HA . 16850 1
416 . 1 1 78 78 GLN HB2 H 1 1.680 . . 2 . . . . . 78 GLN HB2 . 16850 1
417 . 1 1 78 78 GLN HB3 H 1 1.840 . . 2 . . . . . 78 GLN HB3 . 16850 1
418 . 1 1 78 78 GLN CA C 13 54.197 . . 1 . . . . . 78 GLN CA . 16850 1
419 . 1 1 78 78 GLN CB C 13 33.008 . . 1 . . . . . 78 GLN CB . 16850 1
420 . 1 1 78 78 GLN N N 15 119.260 . . 1 . . . . . 78 GLN N . 16850 1
421 . 1 1 79 79 PHE H H 1 7.900 . . 1 . . . . . 79 PHE H . 16850 1
422 . 1 1 79 79 PHE HA H 1 5.230 . . 1 . . . . . 79 PHE HA . 16850 1
423 . 1 1 79 79 PHE CA C 13 55.370 . . 1 . . . . . 79 PHE CA . 16850 1
424 . 1 1 79 79 PHE CB C 13 41.580 . . 1 . . . . . 79 PHE CB . 16850 1
425 . 1 1 79 79 PHE N N 15 120.080 . . 1 . . . . . 79 PHE N . 16850 1
426 . 1 1 80 80 PHE H H 1 10.000 . . 1 . . . . . 80 PHE H . 16850 1
427 . 1 1 80 80 PHE HA H 1 5.270 . . 1 . . . . . 80 PHE HA . 16850 1
428 . 1 1 80 80 PHE HB2 H 1 2.270 . . 2 . . . . . 80 PHE HB2 . 16850 1
429 . 1 1 80 80 PHE HB3 H 1 2.400 . . 2 . . . . . 80 PHE HB3 . 16850 1
430 . 1 1 80 80 PHE CA C 13 56.430 . . 1 . . . . . 80 PHE CA . 16850 1
431 . 1 1 80 80 PHE CB C 13 44.030 . . 1 . . . . . 80 PHE CB . 16850 1
432 . 1 1 80 80 PHE N N 15 123.160 . . 1 . . . . . 80 PHE N . 16850 1
433 . 1 1 81 81 LYS H H 1 8.900 . . 1 . . . . . 81 LYS H . 16850 1
434 . 1 1 81 81 LYS HA H 1 4.270 . . 1 . . . . . 81 LYS HA . 16850 1
435 . 1 1 81 81 LYS HB2 H 1 1.290 . . 2 . . . . . 81 LYS HB2 . 16850 1
436 . 1 1 81 81 LYS HB3 H 1 1.430 . . 2 . . . . . 81 LYS HB3 . 16850 1
437 . 1 1 81 81 LYS CA C 13 56.170 . . 1 . . . . . 81 LYS CA . 16850 1
438 . 1 1 81 81 LYS CB C 13 36.100 . . 1 . . . . . 81 LYS CB . 16850 1
439 . 1 1 81 81 LYS N N 15 119.000 . . 1 . . . . . 81 LYS N . 16850 1
440 . 1 1 82 82 LYS H H 1 10.230 . . 1 . . . . . 82 LYS H . 16850 1
441 . 1 1 82 82 LYS HA H 1 3.720 . . 1 . . . . . 82 LYS HA . 16850 1
442 . 1 1 82 82 LYS HB2 H 1 1.460 . . 2 . . . . . 82 LYS HB2 . 16850 1
443 . 1 1 82 82 LYS HB3 H 1 1.800 . . 2 . . . . . 82 LYS HB3 . 16850 1
444 . 1 1 82 82 LYS CA C 13 56.540 . . 1 . . . . . 82 LYS CA . 16850 1
445 . 1 1 82 82 LYS CB C 13 29.830 . . 1 . . . . . 82 LYS CB . 16850 1
446 . 1 1 82 82 LYS N N 15 130.240 . . 1 . . . . . 82 LYS N . 16850 1
447 . 1 1 83 83 GLY H H 1 9.370 . . 1 . . . . . 83 GLY H . 16850 1
448 . 1 1 83 83 GLY HA2 H 1 3.040 . . 2 . . . . . 83 GLY HA2 . 16850 1
449 . 1 1 83 83 GLY HA3 H 1 3.900 . . 2 . . . . . 83 GLY HA3 . 16850 1
450 . 1 1 83 83 GLY CA C 13 45.690 . . 1 . . . . . 83 GLY CA . 16850 1
451 . 1 1 83 83 GLY N N 15 104.860 . . 1 . . . . . 83 GLY N . 16850 1
452 . 1 1 84 84 GLN H H 1 7.780 . . 1 . . . . . 84 GLN H . 16850 1
453 . 1 1 84 84 GLN HA H 1 4.460 . . 1 . . . . . 84 GLN HA . 16850 1
454 . 1 1 84 84 GLN HB2 H 1 1.670 . . 2 . . . . . 84 GLN HB2 . 16850 1
455 . 1 1 84 84 GLN HB3 H 1 1.830 . . 2 . . . . . 84 GLN HB3 . 16850 1
456 . 1 1 84 84 GLN CA C 13 53.340 . . 1 . . . . . 84 GLN CA . 16850 1
457 . 1 1 84 84 GLN CB C 13 30.900 . . 1 . . . . . 84 GLN CB . 16850 1
458 . 1 1 84 84 GLN N N 15 119.370 . . 1 . . . . . 84 GLN N . 16850 1
459 . 1 1 85 85 LYS H H 1 8.990 . . 1 . . . . . 85 LYS H . 16850 1
460 . 1 1 85 85 LYS HA H 1 3.640 . . 1 . . . . . 85 LYS HA . 16850 1
461 . 1 1 85 85 LYS HB2 H 1 1.152 . . 2 . . . . . 85 LYS HB2 . 16850 1
462 . 1 1 85 85 LYS HB3 H 1 1.460 . . 2 . . . . . 85 LYS HB3 . 16850 1
463 . 1 1 85 85 LYS CA C 13 57.120 . . 1 . . . . . 85 LYS CA . 16850 1
464 . 1 1 85 85 LYS CB C 13 27.200 . . 1 . . . . . 85 LYS CB . 16850 1
465 . 1 1 85 85 LYS N N 15 126.740 . . 1 . . . . . 85 LYS N . 16850 1
466 . 1 1 86 86 VAL H H 1 9.230 . . 1 . . . . . 86 VAL H . 16850 1
467 . 1 1 86 86 VAL HA H 1 4.270 . . 1 . . . . . 86 VAL HA . 16850 1
468 . 1 1 86 86 VAL CA C 13 60.620 . . 1 . . . . . 86 VAL CA . 16850 1
469 . 1 1 86 86 VAL CB C 13 31.850 . . 1 . . . . . 86 VAL CB . 16850 1
470 . 1 1 86 86 VAL N N 15 121.740 . . 1 . . . . . 86 VAL N . 16850 1
471 . 1 1 87 87 GLY H H 1 7.470 . . 1 . . . . . 87 GLY H . 16850 1
472 . 1 1 87 87 GLY HA2 H 1 3.580 . . 2 . . . . . 87 GLY HA2 . 16850 1
473 . 1 1 87 87 GLY HA3 H 1 4.000 . . 2 . . . . . 87 GLY HA3 . 16850 1
474 . 1 1 87 87 GLY CA C 13 45.910 . . 1 . . . . . 87 GLY CA . 16850 1
475 . 1 1 87 87 GLY N N 15 108.610 . . 1 . . . . . 87 GLY N . 16850 1
476 . 1 1 88 88 GLU H H 1 8.620 . . 1 . . . . . 88 GLU H . 16850 1
477 . 1 1 88 88 GLU HA H 1 5.230 . . 1 . . . . . 88 GLU HA . 16850 1
478 . 1 1 88 88 GLU CA C 13 55.920 . . 1 . . . . . 88 GLU CA . 16850 1
479 . 1 1 88 88 GLU CB C 13 32.790 . . 1 . . . . . 88 GLU CB . 16850 1
480 . 1 1 88 88 GLU N N 15 118.480 . . 1 . . . . . 88 GLU N . 16850 1
481 . 1 1 89 89 PHE H H 1 9.143 . . 1 . . . . . 89 PHE H . 16850 1
482 . 1 1 89 89 PHE HA H 1 4.730 . . 1 . . . . . 89 PHE HA . 16850 1
483 . 1 1 89 89 PHE CA C 13 58.090 . . 1 . . . . . 89 PHE CA . 16850 1
484 . 1 1 89 89 PHE CB C 13 41.530 . . 1 . . . . . 89 PHE CB . 16850 1
485 . 1 1 89 89 PHE N N 15 120.550 . . 1 . . . . . 89 PHE N . 16850 1
486 . 1 1 90 90 SER H H 1 8.770 . . 1 . . . . . 90 SER H . 16850 1
487 . 1 1 90 90 SER HA H 1 5.000 . . 1 . . . . . 90 SER HA . 16850 1
488 . 1 1 90 90 SER HB2 H 1 3.380 . . 2 . . . . . 90 SER HB2 . 16850 1
489 . 1 1 90 90 SER HB3 H 1 3.570 . . 2 . . . . . 90 SER HB3 . 16850 1
490 . 1 1 90 90 SER CA C 13 56.970 . . 1 . . . . . 90 SER CA . 16850 1
491 . 1 1 90 90 SER CB C 13 65.650 . . 1 . . . . . 90 SER CB . 16850 1
492 . 1 1 90 90 SER N N 15 118.840 . . 1 . . . . . 90 SER N . 16850 1
493 . 1 1 91 91 GLY H H 1 7.830 . . 1 . . . . . 91 GLY H . 16850 1
494 . 1 1 91 91 GLY HA2 H 1 4.064 . . 2 . . . . . 91 GLY HA2 . 16850 1
495 . 1 1 91 91 GLY HA3 H 1 4.210 . . 2 . . . . . 91 GLY HA3 . 16850 1
496 . 1 1 91 91 GLY CA C 13 43.890 . . 1 . . . . . 91 GLY CA . 16850 1
497 . 1 1 91 91 GLY N N 15 110.600 . . 1 . . . . . 91 GLY N . 16850 1
498 . 1 1 92 92 ALA H H 1 8.470 . . 1 . . . . . 92 ALA H . 16850 1
499 . 1 1 92 92 ALA HA H 1 4.700 . . 1 . . . . . 92 ALA HA . 16850 1
500 . 1 1 92 92 ALA HB1 H 1 1.070 . . 1 . . . . . 92 ALA HB1 . 16850 1
501 . 1 1 92 92 ALA HB2 H 1 1.070 . . 1 . . . . . 92 ALA HB2 . 16850 1
502 . 1 1 92 92 ALA HB3 H 1 1.070 . . 1 . . . . . 92 ALA HB3 . 16850 1
503 . 1 1 92 92 ALA CA C 13 50.640 . . 1 . . . . . 92 ALA CA . 16850 1
504 . 1 1 92 92 ALA CB C 13 18.410 . . 1 . . . . . 92 ALA CB . 16850 1
505 . 1 1 92 92 ALA N N 15 122.200 . . 1 . . . . . 92 ALA N . 16850 1
506 . 1 1 93 93 ASN H H 1 7.540 . . 1 . . . . . 93 ASN H . 16850 1
507 . 1 1 93 93 ASN HA H 1 4.460 . . 1 . . . . . 93 ASN HA . 16850 1
508 . 1 1 93 93 ASN HB2 H 1 2.430 . . 2 . . . . . 93 ASN HB2 . 16850 1
509 . 1 1 93 93 ASN HB3 H 1 2.660 . . 2 . . . . . 93 ASN HB3 . 16850 1
510 . 1 1 93 93 ASN CA C 13 52.540 . . 1 . . . . . 93 ASN CA . 16850 1
511 . 1 1 93 93 ASN CB C 13 38.600 . . 1 . . . . . 93 ASN CB . 16850 1
512 . 1 1 93 93 ASN N N 15 121.300 . . 1 . . . . . 93 ASN N . 16850 1
513 . 1 1 94 94 LYS H H 1 8.500 . . 1 . . . . . 94 LYS H . 16850 1
514 . 1 1 94 94 LYS HA H 1 3.230 . . 1 . . . . . 94 LYS HA . 16850 1
515 . 1 1 94 94 LYS HB2 H 1 0.620 . . 2 . . . . . 94 LYS HB2 . 16850 1
516 . 1 1 94 94 LYS HB3 H 1 0.970 . . 2 . . . . . 94 LYS HB3 . 16850 1
517 . 1 1 94 94 LYS CA C 13 60.400 . . 1 . . . . . 94 LYS CA . 16850 1
518 . 1 1 94 94 LYS CB C 13 31.960 . . 1 . . . . . 94 LYS CB . 16850 1
519 . 1 1 94 94 LYS N N 15 126.850 . . 1 . . . . . 94 LYS N . 16850 1
520 . 1 1 95 95 GLU H H 1 8.310 . . 1 . . . . . 95 GLU H . 16850 1
521 . 1 1 95 95 GLU HA H 1 3.820 . . 1 . . . . . 95 GLU HA . 16850 1
522 . 1 1 95 95 GLU CA C 13 59.960 . . 1 . . . . . 95 GLU CA . 16850 1
523 . 1 1 95 95 GLU CB C 13 28.250 . . 1 . . . . . 95 GLU CB . 16850 1
524 . 1 1 95 95 GLU N N 15 119.800 . . 1 . . . . . 95 GLU N . 16850 1
525 . 1 1 96 96 LYS H H 1 7.900 . . 1 . . . . . 96 LYS H . 16850 1
526 . 1 1 96 96 LYS HA H 1 3.640 . . 1 . . . . . 96 LYS HA . 16850 1
527 . 1 1 96 96 LYS CA C 13 58.200 . . 1 . . . . . 96 LYS CA . 16850 1
528 . 1 1 96 96 LYS CB C 13 31.900 . . 1 . . . . . 96 LYS CB . 16850 1
529 . 1 1 96 96 LYS N N 15 121.600 . . 1 . . . . . 96 LYS N . 16850 1
530 . 1 1 97 97 LEU H H 1 7.870 . . 1 . . . . . 97 LEU H . 16850 1
531 . 1 1 97 97 LEU HA H 1 3.720 . . 1 . . . . . 97 LEU HA . 16850 1
532 . 1 1 97 97 LEU HB2 H 1 1.690 . . 2 . . . . . 97 LEU HB2 . 16850 1
533 . 1 1 97 97 LEU HB3 H 1 1.800 . . 2 . . . . . 97 LEU HB3 . 16850 1
534 . 1 1 97 97 LEU CA C 13 58.840 . . 1 . . . . . 97 LEU CA . 16850 1
535 . 1 1 97 97 LEU CB C 13 29.400 . . 1 . . . . . 97 LEU CB . 16850 1
536 . 1 1 97 97 LEU N N 15 118.960 . . 1 . . . . . 97 LEU N . 16850 1
537 . 1 1 98 98 GLU H H 1 7.740 . . 1 . . . . . 98 GLU H . 16850 1
538 . 1 1 98 98 GLU HA H 1 3.720 . . 1 . . . . . 98 GLU HA . 16850 1
539 . 1 1 98 98 GLU HB2 H 1 1.690 . . 2 . . . . . 98 GLU HB2 . 16850 1
540 . 1 1 98 98 GLU HB3 H 1 1.800 . . 2 . . . . . 98 GLU HB3 . 16850 1
541 . 1 1 98 98 GLU CA C 13 58.800 . . 1 . . . . . 98 GLU CA . 16850 1
542 . 1 1 98 98 GLU CB C 13 29.500 . . 1 . . . . . 98 GLU CB . 16850 1
543 . 1 1 98 98 GLU N N 15 118.400 . . 1 . . . . . 98 GLU N . 16850 1
544 . 1 1 99 99 ALA H H 1 8.290 . . 1 . . . . . 99 ALA H . 16850 1
545 . 1 1 99 99 ALA HA H 1 3.830 . . 1 . . . . . 99 ALA HA . 16850 1
546 . 1 1 99 99 ALA HB1 H 1 1.130 . . 1 . . . . . 99 ALA HB1 . 16850 1
547 . 1 1 99 99 ALA HB2 H 1 1.130 . . 1 . . . . . 99 ALA HB2 . 16850 1
548 . 1 1 99 99 ALA HB3 H 1 1.130 . . 1 . . . . . 99 ALA HB3 . 16850 1
549 . 1 1 99 99 ALA CA C 13 55.160 . . 1 . . . . . 99 ALA CA . 16850 1
550 . 1 1 99 99 ALA CB C 13 17.800 . . 1 . . . . . 99 ALA CB . 16850 1
551 . 1 1 99 99 ALA N N 15 120.980 . . 1 . . . . . 99 ALA N . 16850 1
552 . 1 1 100 100 THR H H 1 7.660 . . 1 . . . . . 100 THR H . 16850 1
553 . 1 1 100 100 THR HA H 1 3.760 . . 1 . . . . . 100 THR HA . 16850 1
554 . 1 1 100 100 THR HB H 1 1.010 . . 1 . . . . . 100 THR HB . 16850 1
555 . 1 1 100 100 THR CA C 13 54.550 . . 1 . . . . . 100 THR CA . 16850 1
556 . 1 1 100 100 THR CB C 13 72.280 . . 1 . . . . . 100 THR CB . 16850 1
557 . 1 1 100 100 THR N N 15 118.180 . . 1 . . . . . 100 THR N . 16850 1
558 . 1 1 107 107 GLU H H 1 7.990 . . 1 . . . . . 107 GLU H . 16850 1
559 . 1 1 107 107 GLU HA H 1 3.880 . . 1 . . . . . 107 GLU HA . 16850 1
560 . 1 1 107 107 GLU CA C 13 56.683 . . 1 . . . . . 107 GLU CA . 16850 1
561 . 1 1 107 107 GLU CB C 13 29.765 . . 1 . . . . . 107 GLU CB . 16850 1
562 . 1 1 107 107 GLU N N 15 120.958 . . 1 . . . . . 107 GLU N . 16850 1
563 . 1 1 108 108 HIS H H 1 8.350 . . 1 . . . . . 108 HIS H . 16850 1
564 . 1 1 108 108 HIS HA H 1 4.290 . . 1 . . . . . 108 HIS HA . 16850 1
565 . 1 1 108 108 HIS CA C 13 55.620 . . 1 . . . . . 108 HIS CA . 16850 1
566 . 1 1 108 108 HIS CB C 13 29.641 . . 1 . . . . . 108 HIS CB . 16850 1
567 . 1 1 108 108 HIS N N 15 119.869 . . 1 . . . . . 108 HIS N . 16850 1
568 . 1 1 109 109 HIS H H 1 8.570 . . 1 . . . . . 109 HIS H . 16850 1
569 . 1 1 109 109 HIS CA C 13 55.630 . . 1 . . . . . 109 HIS CA . 16850 1
570 . 1 1 109 109 HIS CB C 13 29.513 . . 1 . . . . . 109 HIS CB . 16850 1
571 . 1 1 109 109 HIS N N 15 121.390 . . 1 . . . . . 109 HIS N . 16850 1
572 . 1 1 110 110 HIS H H 1 8.230 . . 1 . . . . . 110 HIS H . 16850 1
573 . 1 1 110 110 HIS HA H 1 4.130 . . 1 . . . . . 110 HIS HA . 16850 1
574 . 1 1 110 110 HIS CA C 13 57.142 . . 1 . . . . . 110 HIS CA . 16850 1
575 . 1 1 110 110 HIS CB C 13 29.621 . . 1 . . . . . 110 HIS CB . 16850 1
576 . 1 1 110 110 HIS N N 15 126.055 . . 1 . . . . . 110 HIS N . 16850 1
577 . 2 1 3 3 LYS H H 1 8.330 . . 1 . . . . . 3 LYS H . 16850 1
578 . 2 1 3 3 LYS HA H 1 4.215 0.021 . 1 . . . . . 3 LYS HA . 16850 1
579 . 2 1 3 3 LYS CA C 13 55.650 0.0 . 1 . . . . . 3 LYS CA . 16850 1
580 . 2 1 3 3 LYS CB C 13 33.280 . . 1 . . . . . 3 LYS CB . 16850 1
581 . 2 1 3 3 LYS N N 15 128.720 . . 1 . . . . . 3 LYS N . 16850 1
582 . 2 1 4 4 GLN H H 1 8.760 0.0 . 1 . . . . . 4 GLN H . 16850 1
583 . 2 1 4 4 GLN HA H 1 4.315 0.021 . 1 . . . . . 4 GLN HA . 16850 1
584 . 2 1 4 4 GLN CA C 13 54.910 0.0 . 1 . . . . . 4 GLN CA . 16850 1
585 . 2 1 4 4 GLN CB C 13 28.250 0.0 . 1 . . . . . 4 GLN CB . 16850 1
586 . 2 1 4 4 GLN N N 15 127.800 0.0 . 1 . . . . . 4 GLN N . 16850 1
587 . 2 1 5 5 ILE H H 1 8.720 0.0 . 1 . . . . . 5 ILE H . 16850 1
588 . 2 1 5 5 ILE HA H 1 3.955 0.021 . 1 . . . . . 5 ILE HA . 16850 1
589 . 2 1 5 5 ILE HB H 1 1.915 0.021 . 1 . . . . . 5 ILE HB . 16850 1
590 . 2 1 5 5 ILE CA C 13 57.460 . . 1 . . . . . 5 ILE CA . 16850 1
591 . 2 1 5 5 ILE CB C 13 36.000 . . 1 . . . . . 5 ILE CB . 16850 1
592 . 2 1 5 5 ILE N N 15 128.600 0.0 . 1 . . . . . 5 ILE N . 16850 1
593 . 2 1 6 6 GLU H H 1 8.990 0.0 . 1 . . . . . 6 GLU H . 16850 1
594 . 2 1 6 6 GLU HA H 1 4.192 0.019 . 1 . . . . . 6 GLU HA . 16850 1
595 . 2 1 6 6 GLU CA C 13 56.200 . . 1 . . . . . 6 GLU CA . 16850 1
596 . 2 1 6 6 GLU CB C 13 30.780 0.0 . 1 . . . . . 6 GLU CB . 16850 1
597 . 2 1 6 6 GLU N N 15 124.270 0.0 . 1 . . . . . 6 GLU N . 16850 1
598 . 2 1 7 7 SER H H 1 7.380 0.0 . 1 . . . . . 7 SER H . 16850 1
599 . 2 1 7 7 SER HA H 1 4.515 0.021 . 1 . . . . . 7 SER HA . 16850 1
600 . 2 1 7 7 SER HB2 H 1 3.795 0.021 . 2 . . . . . 7 SER HB2 . 16850 1
601 . 2 1 7 7 SER HB3 H 1 3.945 0.021 . 2 . . . . . 7 SER HB3 . 16850 1
602 . 2 1 7 7 SER CA C 13 57.320 0.0 . 1 . . . . . 7 SER CA . 16850 1
603 . 2 1 7 7 SER CB C 13 66.370 . . 1 . . . . . 7 SER CB . 16850 1
604 . 2 1 7 7 SER N N 15 112.426 0.021 . 1 . . . . . 7 SER N . 16850 1
605 . 2 1 8 8 LYS H H 1 9.403 0.011 . 1 . . . . . 8 LYS H . 16850 1
606 . 2 1 8 8 LYS HA H 1 3.594 0.02 . 1 . . . . . 8 LYS HA . 16850 1
607 . 2 1 8 8 LYS CA C 13 59.700 . . 1 . . . . . 8 LYS CA . 16850 1
608 . 2 1 8 8 LYS CB C 13 31.800 . . 1 . . . . . 8 LYS CB . 16850 1
609 . 2 1 8 8 LYS N N 15 123.008 0.029 . 1 . . . . . 8 LYS N . 16850 1
610 . 2 1 9 9 THR H H 1 8.220 0.0 . 1 . . . . . 9 THR H . 16850 1
611 . 2 1 9 9 THR HA H 1 3.665 0.021 . 1 . . . . . 9 THR HA . 16850 1
612 . 2 1 9 9 THR CA C 13 66.400 0.0 . 1 . . . . . 9 THR CA . 16850 1
613 . 2 1 9 9 THR CB C 13 68.300 . . 1 . . . . . 9 THR CB . 16850 1
614 . 2 1 9 9 THR N N 15 116.300 0.0 . 1 . . . . . 9 THR N . 16850 1
615 . 2 1 10 10 ALA H H 1 7.960 0.0 . 1 . . . . . 10 ALA H . 16850 1
616 . 2 1 10 10 ALA HA H 1 3.885 0.021 . 1 . . . . . 10 ALA HA . 16850 1
617 . 2 1 10 10 ALA HB1 H 1 1.285 0.021 . 1 . . . . . 10 ALA HB1 . 16850 1
618 . 2 1 10 10 ALA HB2 H 1 1.285 0.021 . 1 . . . . . 10 ALA HB2 . 16850 1
619 . 2 1 10 10 ALA HB3 H 1 1.285 0.021 . 1 . . . . . 10 ALA HB3 . 16850 1
620 . 2 1 10 10 ALA CA C 13 54.600 . . 1 . . . . . 10 ALA CA . 16850 1
621 . 2 1 10 10 ALA CB C 13 18.400 . . 1 . . . . . 10 ALA CB . 16850 1
622 . 2 1 10 10 ALA N N 15 124.500 0.0 . 1 . . . . . 10 ALA N . 16850 1
623 . 2 1 11 11 PHE H H 1 8.100 0.0 . 1 . . . . . 11 PHE H . 16850 1
624 . 2 1 11 11 PHE HA H 1 3.705 0.021 . 1 . . . . . 11 PHE HA . 16850 1
625 . 2 1 11 11 PHE HB2 H 1 2.765 0.021 . 2 . . . . . 11 PHE HB2 . 16850 1
626 . 2 1 11 11 PHE HB3 H 1 3.085 0.021 . 2 . . . . . 11 PHE HB3 . 16850 1
627 . 2 1 11 11 PHE CA C 13 61.300 . . 1 . . . . . 11 PHE CA . 16850 1
628 . 2 1 11 11 PHE CB C 13 38.900 0.0 . 1 . . . . . 11 PHE CB . 16850 1
629 . 2 1 11 11 PHE N N 15 121.700 0.0 . 1 . . . . . 11 PHE N . 16850 1
630 . 2 1 12 12 GLN H H 1 8.150 0.0 . 1 . . . . . 12 GLN H . 16850 1
631 . 2 1 12 12 GLN HA H 1 3.245 0.021 . 1 . . . . . 12 GLN HA . 16850 1
632 . 2 1 12 12 GLN HB2 H 1 1.825 0.021 . 1 . . . . . 12 GLN HB2 . 16850 1
633 . 2 1 12 12 GLN HB3 H 1 1.825 0.021 . 1 . . . . . 12 GLN HB3 . 16850 1
634 . 2 1 12 12 GLN CA C 13 58.440 0.0 . 1 . . . . . 12 GLN CA . 16850 1
635 . 2 1 12 12 GLN CB C 13 27.960 0.0 . 1 . . . . . 12 GLN CB . 16850 1
636 . 2 1 12 12 GLN N N 15 118.290 0.0 . 1 . . . . . 12 GLN N . 16850 1
637 . 2 1 13 13 GLU H H 1 8.270 0.0 . 1 . . . . . 13 GLU H . 16850 1
638 . 2 1 13 13 GLU HA H 1 3.665 0.021 . 1 . . . . . 13 GLU HA . 16850 1
639 . 2 1 13 13 GLU CA C 13 59.200 0.0 . 1 . . . . . 13 GLU CA . 16850 1
640 . 2 1 13 13 GLU CB C 13 29.100 . . 1 . . . . . 13 GLU CB . 16850 1
641 . 2 1 13 13 GLU N N 15 118.400 0.0 . 1 . . . . . 13 GLU N . 16850 1
642 . 2 1 14 14 ALA H H 1 7.800 0.0 . 1 . . . . . 14 ALA H . 16850 1
643 . 2 1 14 14 ALA HA H 1 3.745 0.021 . 1 . . . . . 14 ALA HA . 16850 1
644 . 2 1 14 14 ALA HB1 H 1 0.995 0.021 . 1 . . . . . 14 ALA HB1 . 16850 1
645 . 2 1 14 14 ALA HB2 H 1 0.995 0.021 . 1 . . . . . 14 ALA HB2 . 16850 1
646 . 2 1 14 14 ALA HB3 H 1 0.995 0.021 . 1 . . . . . 14 ALA HB3 . 16850 1
647 . 2 1 14 14 ALA CA C 13 54.835 0.288 . 1 . . . . . 14 ALA CA . 16850 1
648 . 2 1 14 14 ALA CB C 13 18.005 0.007 . 1 . . . . . 14 ALA CB . 16850 1
649 . 2 1 14 14 ALA N N 15 122.590 0.0 . 1 . . . . . 14 ALA N . 16850 1
650 . 2 1 15 15 LEU H H 1 8.000 0.0 . 1 . . . . . 15 LEU H . 16850 1
651 . 2 1 15 15 LEU HA H 1 3.405 0.021 . 1 . . . . . 15 LEU HA . 16850 1
652 . 2 1 15 15 LEU CA C 13 67.265 0.029 . 1 . . . . . 15 LEU CA . 16850 1
653 . 2 1 15 15 LEU CB C 13 46.340 0.0 . 1 . . . . . 15 LEU CB . 16850 1
654 . 2 1 15 15 LEU N N 15 116.616 0.209 . 1 . . . . . 15 LEU N . 16850 1
655 . 2 1 16 16 ASP H H 1 8.141 0.004 . 1 . . . . . 16 ASP H . 16850 1
656 . 2 1 16 16 ASP HA H 1 4.005 0.021 . 1 . . . . . 16 ASP HA . 16850 1
657 . 2 1 16 16 ASP CA C 13 56.933 0.026 . 1 . . . . . 16 ASP CA . 16850 1
658 . 2 1 16 16 ASP CB C 13 40.419 0.019 . 1 . . . . . 16 ASP CB . 16850 1
659 . 2 1 16 16 ASP N N 15 120.700 0.0 . 1 . . . . . 16 ASP N . 16850 1
660 . 2 1 17 17 ALA H H 1 8.156 0.001 . 1 . . . . . 17 ALA H . 16850 1
661 . 2 1 17 17 ALA HA H 1 3.855 0.021 . 1 . . . . . 17 ALA HA . 16850 1
662 . 2 1 17 17 ALA HB1 H 1 1.125 0.021 . 1 . . . . . 17 ALA HB1 . 16850 1
663 . 2 1 17 17 ALA HB2 H 1 1.125 0.021 . 1 . . . . . 17 ALA HB2 . 16850 1
664 . 2 1 17 17 ALA HB3 H 1 1.125 0.021 . 1 . . . . . 17 ALA HB3 . 16850 1
665 . 2 1 17 17 ALA CA C 13 53.200 0.0 . 1 . . . . . 17 ALA CA . 16850 1
666 . 2 1 17 17 ALA CB C 13 18.230 0.0 . 1 . . . . . 17 ALA CB . 16850 1
667 . 2 1 17 17 ALA N N 15 122.241 0.033 . 1 . . . . . 17 ALA N . 16850 1
668 . 2 1 18 18 ALA H H 1 7.140 0.0 . 1 . . . . . 18 ALA H . 16850 1
669 . 2 1 18 18 ALA HA H 1 3.605 0.021 . 1 . . . . . 18 ALA HA . 16850 1
670 . 2 1 18 18 ALA HB1 H 1 1.045 0.021 . 1 . . . . . 18 ALA HB1 . 16850 1
671 . 2 1 18 18 ALA HB2 H 1 1.045 0.021 . 1 . . . . . 18 ALA HB2 . 16850 1
672 . 2 1 18 18 ALA HB3 H 1 1.045 0.021 . 1 . . . . . 18 ALA HB3 . 16850 1
673 . 2 1 18 18 ALA CA C 13 53.400 . . 1 . . . . . 18 ALA CA . 16850 1
674 . 2 1 18 18 ALA CB C 13 20.250 0.0 . 1 . . . . . 18 ALA CB . 16850 1
675 . 2 1 18 18 ALA N N 15 119.500 0.0 . 1 . . . . . 18 ALA N . 16850 1
676 . 2 1 19 19 GLY H H 1 7.580 0.0 . 1 . . . . . 19 GLY H . 16850 1
677 . 2 1 19 19 GLY HA2 H 1 3.635 0.021 . 2 . . . . . 19 GLY HA2 . 16850 1
678 . 2 1 19 19 GLY HA3 H 1 3.445 0.021 . 2 . . . . . 19 GLY HA3 . 16850 1
679 . 2 1 19 19 GLY CA C 13 47.100 0.023 . 1 . . . . . 19 GLY CA . 16850 1
680 . 2 1 19 19 GLY N N 15 106.750 0.0 . 1 . . . . . 19 GLY N . 16850 1
681 . 2 1 20 20 ASP H H 1 9.061 0.001 . 1 . . . . . 20 ASP H . 16850 1
682 . 2 1 20 20 ASP HA H 1 4.335 0.021 . 1 . . . . . 20 ASP HA . 16850 1
683 . 2 1 20 20 ASP CA C 13 54.010 0.0 . 1 . . . . . 20 ASP CA . 16850 1
684 . 2 1 20 20 ASP CB C 13 40.726 0.026 . 1 . . . . . 20 ASP CB . 16850 1
685 . 2 1 20 20 ASP N N 15 129.599 0.001 . 1 . . . . . 20 ASP N . 16850 1
686 . 2 1 21 21 LYS H H 1 7.810 0.0 . 1 . . . . . 21 LYS H . 16850 1
687 . 2 1 21 21 LYS HA H 1 3.955 0.021 . 1 . . . . . 21 LYS HA . 16850 1
688 . 2 1 21 21 LYS CA C 13 57.290 0.0 . 1 . . . . . 21 LYS CA . 16850 1
689 . 2 1 21 21 LYS CB C 13 33.290 . . 1 . . . . . 21 LYS CB . 16850 1
690 . 2 1 21 21 LYS N N 15 120.217 0.0 . 1 . . . . . 21 LYS N . 16850 1
691 . 2 1 22 22 LEU H H 1 8.730 0.0 . 1 . . . . . 22 LEU H . 16850 1
692 . 2 1 22 22 LEU HA H 1 3.943 0.019 . 1 . . . . . 22 LEU HA . 16850 1
693 . 2 1 22 22 LEU CA C 13 57.260 0.0 . 1 . . . . . 22 LEU CA . 16850 1
694 . 2 1 22 22 LEU CB C 13 33.310 0.0 . 1 . . . . . 22 LEU CB . 16850 1
695 . 2 1 22 22 LEU N N 15 123.540 0.0 . 1 . . . . . 22 LEU N . 16850 1
696 . 2 1 23 23 VAL H H 1 8.920 0.0 . 1 . . . . . 23 VAL H . 16850 1
697 . 2 1 23 23 VAL HA H 1 4.535 0.021 . 1 . . . . . 23 VAL HA . 16850 1
698 . 2 1 23 23 VAL HB H 1 1.645 0.021 . 1 . . . . . 23 VAL HB . 16850 1
699 . 2 1 23 23 VAL CA C 13 60.180 0.0 . 1 . . . . . 23 VAL CA . 16850 1
700 . 2 1 23 23 VAL CB C 13 33.950 . . 1 . . . . . 23 VAL CB . 16850 1
701 . 2 1 23 23 VAL N N 15 126.501 0.004 . 1 . . . . . 23 VAL N . 16850 1
702 . 2 1 24 24 VAL H H 1 9.185 0.0 . 1 . . . . . 24 VAL H . 16850 1
703 . 2 1 24 24 VAL HA H 1 4.185 0.021 . 1 . . . . . 24 VAL HA . 16850 1
704 . 2 1 24 24 VAL HB H 1 1.235 0.021 . 1 . . . . . 24 VAL HB . 16850 1
705 . 2 1 24 24 VAL CA C 13 60.170 0.0 . 1 . . . . . 24 VAL CA . 16850 1
706 . 2 1 24 24 VAL CB C 13 33.152 . . 1 . . . . . 24 VAL CB . 16850 1
707 . 2 1 24 24 VAL N N 15 127.550 0.0 . 1 . . . . . 24 VAL N . 16850 1
708 . 2 1 25 25 VAL H H 1 9.250 0.0 . 1 . . . . . 25 VAL H . 16850 1
709 . 2 1 25 25 VAL HA H 1 4.335 0.021 . 1 . . . . . 25 VAL HA . 16850 1
710 . 2 1 25 25 VAL HB H 1 1.615 0.021 . 1 . . . . . 25 VAL HB . 16850 1
711 . 2 1 25 25 VAL CA C 13 60.450 0.0 . 1 . . . . . 25 VAL CA . 16850 1
712 . 2 1 25 25 VAL CB C 13 33.310 0.0 . 1 . . . . . 25 VAL CB . 16850 1
713 . 2 1 25 25 VAL N N 15 127.600 0.0 . 1 . . . . . 25 VAL N . 16850 1
714 . 2 1 26 26 ASP H H 1 8.410 0.0 . 1 . . . . . 26 ASP H . 16850 1
715 . 2 1 26 26 ASP HA H 1 3.875 0.021 . 1 . . . . . 26 ASP HA . 16850 1
716 . 2 1 26 26 ASP CA C 13 50.900 0.0 . 1 . . . . . 26 ASP CA . 16850 1
717 . 2 1 26 26 ASP CB C 13 37.900 0.0 . 1 . . . . . 26 ASP CB . 16850 1
718 . 2 1 26 26 ASP N N 15 124.290 0.0 . 1 . . . . . 26 ASP N . 16850 1
719 . 2 1 27 27 PHE H H 1 8.340 0.0 . 1 . . . . . 27 PHE H . 16850 1
720 . 2 1 27 27 PHE HA H 1 4.775 0.021 . 1 . . . . . 27 PHE HA . 16850 1
721 . 2 1 27 27 PHE CA C 13 57.870 . . 1 . . . . . 27 PHE CA . 16850 1
722 . 2 1 27 27 PHE CB C 13 38.250 . . 1 . . . . . 27 PHE CB . 16850 1
723 . 2 1 27 27 PHE N N 15 126.420 0.0 . 1 . . . . . 27 PHE N . 16850 1
724 . 2 1 28 28 SER H H 1 8.750 . . 1 . . . . . 28 SER H . 16850 1
725 . 2 1 28 28 SER HA H 1 4.215 0.021 . 1 . . . . . 28 SER HA . 16850 1
726 . 2 1 28 28 SER CA C 13 55.684 0.027 . 1 . . . . . 28 SER CA . 16850 1
727 . 2 1 28 28 SER CB C 13 67.450 . . 1 . . . . . 28 SER CB . 16850 1
728 . 2 1 28 28 SER N N 15 119.500 . . 1 . . . . . 28 SER N . 16850 1
729 . 2 1 29 29 ALA H H 1 6.880 0.0 . 1 . . . . . 29 ALA H . 16850 1
730 . 2 1 29 29 ALA HA H 1 4.305 0.021 . 1 . . . . . 29 ALA HA . 16850 1
731 . 2 1 29 29 ALA CA C 13 50.930 . . 1 . . . . . 29 ALA CA . 16850 1
732 . 2 1 29 29 ALA CB C 13 21.330 0.0 . 1 . . . . . 29 ALA CB . 16850 1
733 . 2 1 29 29 ALA N N 15 117.427 0.023 . 1 . . . . . 29 ALA N . 16850 1
734 . 2 1 30 30 THR H H 1 9.680 0.001 . 1 . . . . . 30 THR H . 16850 1
735 . 2 1 30 30 THR HA H 1 3.485 0.021 . 1 . . . . . 30 THR HA . 16850 1
736 . 2 1 30 30 THR HB H 1 4.305 0.021 . 1 . . . . . 30 THR HB . 16850 1
737 . 2 1 30 30 THR CA C 13 64.710 . . 1 . . . . . 30 THR CA . 16850 1
738 . 2 1 30 30 THR CB C 13 69.116 . . 1 . . . . . 30 THR CB . 16850 1
739 . 2 1 30 30 THR N N 15 116.930 0.0 . 1 . . . . . 30 THR N . 16850 1
740 . 2 1 31 31 TRP H H 1 6.490 0.0 . 1 . . . . . 31 TRP H . 16850 1
741 . 2 1 31 31 TRP HA H 1 4.285 0.021 . 1 . . . . . 31 TRP HA . 16850 1
742 . 2 1 31 31 TRP HB2 H 1 2.805 0.021 . 2 . . . . . 31 TRP HB2 . 16850 1
743 . 2 1 31 31 TRP HB3 H 1 3.355 0.021 . 2 . . . . . 31 TRP HB3 . 16850 1
744 . 2 1 31 31 TRP CA C 13 53.260 . . 1 . . . . . 31 TRP CA . 16850 1
745 . 2 1 31 31 TRP CB C 13 29.110 0.0 . 1 . . . . . 31 TRP CB . 16850 1
746 . 2 1 31 31 TRP N N 15 115.150 0.0 . 1 . . . . . 31 TRP N . 16850 1
747 . 2 1 32 32 CYS H H 1 6.590 0.0 . 1 . . . . . 32 CYS H . 16850 1
748 . 2 1 32 32 CYS HA H 1 4.265 0.021 . 1 . . . . . 32 CYS HA . 16850 1
749 . 2 1 32 32 CYS CA C 13 57.460 . . 1 . . . . . 32 CYS CA . 16850 1
750 . 2 1 32 32 CYS CB C 13 26.370 0.0 . 1 . . . . . 32 CYS CB . 16850 1
751 . 2 1 32 32 CYS N N 15 123.230 . . 1 . . . . . 32 CYS N . 16850 1
752 . 2 1 33 33 GLY H H 1 9.430 0.0 . 1 . . . . . 33 GLY H . 16850 1
753 . 2 1 33 33 GLY HA2 H 1 3.578 0.022 . 2 . . . . . 33 GLY HA2 . 16850 1
754 . 2 1 33 33 GLY HA3 H 1 3.908 0.022 . 2 . . . . . 33 GLY HA3 . 16850 1
755 . 2 1 33 33 GLY CA C 13 48.770 . . 1 . . . . . 33 GLY CA . 16850 1
756 . 2 1 33 33 GLY N N 15 120.270 0.0 . 1 . . . . . 33 GLY N . 16850 1
757 . 2 1 35 35 SER H H 1 7.493 0.0 . 1 . . . . . 35 SER H . 16850 1
758 . 2 1 35 35 SER HA H 1 4.225 0.021 . 1 . . . . . 35 SER HA . 16850 1
759 . 2 1 35 35 SER HB2 H 1 1.412 0.021 . 2 . . . . . 35 SER HB2 . 16850 1
760 . 2 1 35 35 SER HB3 H 1 0.985 0.021 . 2 . . . . . 35 SER HB3 . 16850 1
761 . 2 1 35 35 SER CA C 13 57.294 . . 1 . . . . . 35 SER CA . 16850 1
762 . 2 1 35 35 SER CB C 13 66.224 . . 1 . . . . . 35 SER CB . 16850 1
763 . 2 1 35 35 SER N N 15 112.554 0.0 . 1 . . . . . 35 SER N . 16850 1
764 . 2 1 36 36 LYS H H 1 7.530 0.0 . 1 . . . . . 36 LYS H . 16850 1
765 . 2 1 36 36 LYS HA H 1 2.855 0.021 . 1 . . . . . 36 LYS HA . 16850 1
766 . 2 1 36 36 LYS CA C 13 66.650 0.0 . 1 . . . . . 36 LYS CA . 16850 1
767 . 2 1 36 36 LYS CB C 13 38.557 . . 1 . . . . . 36 LYS CB . 16850 1
768 . 2 1 36 36 LYS N N 15 121.460 0.0 . 1 . . . . . 36 LYS N . 16850 1
769 . 2 1 37 37 MET H H 1 7.760 0.0 . 1 . . . . . 37 MET H . 16850 1
770 . 2 1 37 37 MET HA H 1 3.925 0.021 . 1 . . . . . 37 MET HA . 16850 1
771 . 2 1 37 37 MET HB2 H 1 2.475 0.021 . 2 . . . . . 37 MET HB2 . 16850 1
772 . 2 1 37 37 MET HB3 H 1 2.355 0.021 . 2 . . . . . 37 MET HB3 . 16850 1
773 . 2 1 37 37 MET CA C 13 56.850 0.0 . 1 . . . . . 37 MET CA . 16850 1
774 . 2 1 37 37 MET CB C 13 38.810 0.0 . 1 . . . . . 37 MET CB . 16850 1
775 . 2 1 37 37 MET N N 15 115.200 0.0 . 1 . . . . . 37 MET N . 16850 1
776 . 2 1 38 38 ILE H H 1 7.620 0.0 . 1 . . . . . 38 ILE H . 16850 1
777 . 2 1 38 38 ILE HA H 1 4.265 0.021 . 1 . . . . . 38 ILE HA . 16850 1
778 . 2 1 38 38 ILE HB H 1 1.655 0.021 . 1 . . . . . 38 ILE HB . 16850 1
779 . 2 1 38 38 ILE CA C 13 60.814 0.027 . 1 . . . . . 38 ILE CA . 16850 1
780 . 2 1 38 38 ILE CB C 13 40.143 0.0 . 1 . . . . . 38 ILE CB . 16850 1
781 . 2 1 38 38 ILE N N 15 117.080 0.0 . 1 . . . . . 38 ILE N . 16850 1
782 . 2 1 39 39 LYS H H 1 7.467 0.0 . 1 . . . . . 39 LYS H . 16850 1
783 . 2 1 39 39 LYS HA H 1 3.908 0.022 . 1 . . . . . 39 LYS HA . 16850 1
784 . 2 1 39 39 LYS CA C 13 62.015 0.0 . 1 . . . . . 39 LYS CA . 16850 1
785 . 2 1 39 39 LYS CB C 13 29.090 . . 1 . . . . . 39 LYS CB . 16850 1
786 . 2 1 39 39 LYS N N 15 125.612 0.008 . 1 . . . . . 39 LYS N . 16850 1
787 . 2 1 41 41 PHE H H 1 7.500 0.0 . 1 . . . . . 41 PHE H . 16850 1
788 . 2 1 41 41 PHE HA H 1 4.145 0.021 . 1 . . . . . 41 PHE HA . 16850 1
789 . 2 1 41 41 PHE CA C 13 60.779 0.043 . 1 . . . . . 41 PHE CA . 16850 1
790 . 2 1 41 41 PHE CB C 13 39.040 . . 1 . . . . . 41 PHE CB . 16850 1
791 . 2 1 41 41 PHE N N 15 120.730 0.0 . 1 . . . . . 41 PHE N . 16850 1
792 . 2 1 42 42 PHE H H 1 8.580 0.0 . 1 . . . . . 42 PHE H . 16850 1
793 . 2 1 42 42 PHE HA H 1 3.635 0.021 . 1 . . . . . 42 PHE HA . 16850 1
794 . 2 1 42 42 PHE CA C 13 62.590 . . 1 . . . . . 42 PHE CA . 16850 1
795 . 2 1 42 42 PHE CB C 13 39.200 . . 1 . . . . . 42 PHE CB . 16850 1
796 . 2 1 42 42 PHE N N 15 123.098 0.006 . 1 . . . . . 42 PHE N . 16850 1
797 . 2 1 43 43 HIS H H 1 8.340 0.0 . 1 . . . . . 43 HIS H . 16850 1
798 . 2 1 43 43 HIS HA H 1 3.485 0.021 . 1 . . . . . 43 HIS HA . 16850 1
799 . 2 1 43 43 HIS CA C 13 59.920 0.0 . 1 . . . . . 43 HIS CA . 16850 1
800 . 2 1 43 43 HIS CB C 13 29.100 . . 1 . . . . . 43 HIS CB . 16850 1
801 . 2 1 43 43 HIS N N 15 115.797 0.009 . 1 . . . . . 43 HIS N . 16850 1
802 . 2 1 44 44 SER H H 1 8.321 0.002 . 1 . . . . . 44 SER H . 16850 1
803 . 2 1 44 44 SER HA H 1 3.815 0.021 . 1 . . . . . 44 SER HA . 16850 1
804 . 2 1 44 44 SER CA C 13 61.880 . . 1 . . . . . 44 SER CA . 16850 1
805 . 2 1 44 44 SER CB C 13 62.620 0.0 . 1 . . . . . 44 SER CB . 16850 1
806 . 2 1 44 44 SER N N 15 119.450 0.0 . 1 . . . . . 44 SER N . 16850 1
807 . 2 1 45 45 LEU H H 1 8.024 0.0 . 1 . . . . . 45 LEU H . 16850 1
808 . 2 1 45 45 LEU HA H 1 3.705 0.021 . 1 . . . . . 45 LEU HA . 16850 1
809 . 2 1 45 45 LEU CA C 13 57.730 0.0 . 1 . . . . . 45 LEU CA . 16850 1
810 . 2 1 45 45 LEU CB C 13 31.690 . . 1 . . . . . 45 LEU CB . 16850 1
811 . 2 1 45 45 LEU N N 15 117.710 0.0 . 1 . . . . . 45 LEU N . 16850 1
812 . 2 1 46 46 SER H H 1 6.720 . . 1 . . . . . 46 SER H . 16850 1
813 . 2 1 46 46 SER HA H 1 5.085 0.021 . 1 . . . . . 46 SER HA . 16850 1
814 . 2 1 46 46 SER CA C 13 59.970 0.0 . 1 . . . . . 46 SER CA . 16850 1
815 . 2 1 46 46 SER CB C 13 62.687 0.027 . 1 . . . . . 46 SER CB . 16850 1
816 . 2 1 46 46 SER N N 15 115.526 0.0 . 1 . . . . . 46 SER N . 16850 1
817 . 2 1 47 47 GLU H H 1 6.770 0.0 . 1 . . . . . 47 GLU H . 16850 1
818 . 2 1 47 47 GLU HA H 1 3.695 0.021 . 1 . . . . . 47 GLU HA . 16850 1
819 . 2 1 47 47 GLU CA C 13 57.280 0.0 . 1 . . . . . 47 GLU CA . 16850 1
820 . 2 1 47 47 GLU CB C 13 29.330 0.0 . 1 . . . . . 47 GLU CB . 16850 1
821 . 2 1 47 47 GLU N N 15 119.473 0.008 . 1 . . . . . 47 GLU N . 16850 1
822 . 2 1 48 48 LYS H H 1 7.140 0.0 . 1 . . . . . 48 LYS H . 16850 1
823 . 2 1 48 48 LYS HA H 1 3.685 0.021 . 1 . . . . . 48 LYS HA . 16850 1
824 . 2 1 48 48 LYS CA C 13 57.690 0.0 . 1 . . . . . 48 LYS CA . 16850 1
825 . 2 1 48 48 LYS CB C 13 33.940 . . 1 . . . . . 48 LYS CB . 16850 1
826 . 2 1 48 48 LYS N N 15 120.047 0.009 . 1 . . . . . 48 LYS N . 16850 1
827 . 2 1 49 49 TYR H H 1 7.890 0.0 . 1 . . . . . 49 TYR H . 16850 1
828 . 2 1 49 49 TYR HA H 1 4.485 0.021 . 1 . . . . . 49 TYR HA . 16850 1
829 . 2 1 49 49 TYR CA C 13 56.540 . . 1 . . . . . 49 TYR CA . 16850 1
830 . 2 1 49 49 TYR CB C 13 37.110 . . 1 . . . . . 49 TYR CB . 16850 1
831 . 2 1 49 49 TYR N N 15 119.550 0.0 . 1 . . . . . 49 TYR N . 16850 1
832 . 2 1 50 50 SER H H 1 7.830 0.0 . 1 . . . . . 50 SER H . 16850 1
833 . 2 1 50 50 SER HA H 1 4.115 0.021 . 1 . . . . . 50 SER HA . 16850 1
834 . 2 1 50 50 SER HB2 H 1 3.575 0.021 . 2 . . . . . 50 SER HB2 . 16850 1
835 . 2 1 50 50 SER HB3 H 1 3.705 0.021 . 2 . . . . . 50 SER HB3 . 16850 1
836 . 2 1 50 50 SER CA C 13 60.350 . . 1 . . . . . 50 SER CA . 16850 1
837 . 2 1 50 50 SER CB C 13 63.240 0.0 . 1 . . . . . 50 SER CB . 16850 1
838 . 2 1 50 50 SER N N 15 115.830 0.0 . 1 . . . . . 50 SER N . 16850 1
839 . 2 1 51 51 ASN H H 1 9.071 0.003 . 1 . . . . . 51 ASN H . 16850 1
840 . 2 1 51 51 ASN HA H 1 4.505 0.021 . 1 . . . . . 51 ASN HA . 16850 1
841 . 2 1 51 51 ASN CA C 13 52.870 . . 1 . . . . . 51 ASN CA . 16850 1
842 . 2 1 51 51 ASN CB C 13 37.564 0.024 . 1 . . . . . 51 ASN CB . 16850 1
843 . 2 1 51 51 ASN N N 15 119.210 0.0 . 1 . . . . . 51 ASN N . 16850 1
844 . 2 1 52 52 VAL H H 1 7.520 0.0 . 1 . . . . . 52 VAL H . 16850 1
845 . 2 1 52 52 VAL HA H 1 4.085 0.021 . 1 . . . . . 52 VAL HA . 16850 1
846 . 2 1 52 52 VAL HB H 1 1.785 0.021 . 1 . . . . . 52 VAL HB . 16850 1
847 . 2 1 52 52 VAL CA C 13 60.770 0.0 . 1 . . . . . 52 VAL CA . 16850 1
848 . 2 1 52 52 VAL CB C 13 34.160 0.0 . 1 . . . . . 52 VAL CB . 16850 1
849 . 2 1 52 52 VAL N N 15 122.140 0.023 . 1 . . . . . 52 VAL N . 16850 1
850 . 2 1 53 53 ILE H H 1 8.790 0.0 . 1 . . . . . 53 ILE H . 16850 1
851 . 2 1 53 53 ILE HA H 1 4.085 0.021 . 1 . . . . . 53 ILE HA . 16850 1
852 . 2 1 53 53 ILE HB H 1 1.575 0.021 . 1 . . . . . 53 ILE HB . 16850 1
853 . 2 1 53 53 ILE CA C 13 59.870 . . 1 . . . . . 53 ILE CA . 16850 1
854 . 2 1 53 53 ILE CB C 13 38.340 0.0 . 1 . . . . . 53 ILE CB . 16850 1
855 . 2 1 53 53 ILE N N 15 128.560 0.0 . 1 . . . . . 53 ILE N . 16850 1
856 . 2 1 54 54 PHE H H 1 8.670 0.0 . 1 . . . . . 54 PHE H . 16850 1
857 . 2 1 54 54 PHE HA H 1 4.945 0.021 . 1 . . . . . 54 PHE HA . 16850 1
858 . 2 1 54 54 PHE CA C 13 56.550 0.0 . 1 . . . . . 54 PHE CA . 16850 1
859 . 2 1 54 54 PHE CB C 13 40.350 . . 1 . . . . . 54 PHE CB . 16850 1
860 . 2 1 54 54 PHE N N 15 126.910 0.0 . 1 . . . . . 54 PHE N . 16850 1
861 . 2 1 55 55 LEU H H 1 9.381 0.004 . 1 . . . . . 55 LEU H . 16850 1
862 . 2 1 55 55 LEU HA H 1 4.935 0.021 . 1 . . . . . 55 LEU HA . 16850 1
863 . 2 1 55 55 LEU CA C 13 56.520 . . 1 . . . . . 55 LEU CA . 16850 1
864 . 2 1 55 55 LEU CB C 13 40.370 0.0 . 1 . . . . . 55 LEU CB . 16850 1
865 . 2 1 55 55 LEU N N 15 123.112 0.007 . 1 . . . . . 55 LEU N . 16850 1
866 . 2 1 56 56 GLU H H 1 8.480 0.0 . 1 . . . . . 56 GLU H . 16850 1
867 . 2 1 56 56 GLU HA H 1 4.705 0.021 . 1 . . . . . 56 GLU HA . 16850 1
868 . 2 1 56 56 GLU HB2 H 1 1.059 0.021 . 2 . . . . . 56 GLU HB2 . 16850 1
869 . 2 1 56 56 GLU HB3 H 1 1.485 0.021 . 2 . . . . . 56 GLU HB3 . 16850 1
870 . 2 1 56 56 GLU CA C 13 54.700 0.0 . 1 . . . . . 56 GLU CA . 16850 1
871 . 2 1 56 56 GLU CB C 13 33.080 . . 1 . . . . . 56 GLU CB . 16850 1
872 . 2 1 56 56 GLU N N 15 122.370 0.0 . 1 . . . . . 56 GLU N . 16850 1
873 . 2 1 57 57 VAL H H 1 8.420 0.0 . 1 . . . . . 57 VAL H . 16850 1
874 . 2 1 57 57 VAL HA H 1 3.695 0.021 . 1 . . . . . 57 VAL HA . 16850 1
875 . 2 1 57 57 VAL HB H 1 0.995 0.021 . 1 . . . . . 57 VAL HB . 16850 1
876 . 2 1 57 57 VAL CA C 13 60.680 0.0 . 1 . . . . . 57 VAL CA . 16850 1
877 . 2 1 57 57 VAL CB C 13 29.630 0.0 . 1 . . . . . 57 VAL CB . 16850 1
878 . 2 1 57 57 VAL N N 15 126.130 0.0 . 1 . . . . . 57 VAL N . 16850 1
879 . 2 1 58 58 ASP H H 1 9.049 0.0 . 1 . . . . . 58 ASP H . 16850 1
880 . 2 1 58 58 ASP HA H 1 4.685 0.021 . 1 . . . . . 58 ASP HA . 16850 1
881 . 2 1 58 58 ASP CA C 13 52.837 0.0 . 1 . . . . . 58 ASP CA . 16850 1
882 . 2 1 58 58 ASP CB C 13 42.304 0.034 . 1 . . . . . 58 ASP CB . 16850 1
883 . 2 1 58 58 ASP N N 15 129.601 0.022 . 1 . . . . . 58 ASP N . 16850 1
884 . 2 1 59 59 VAL H H 1 8.740 0.0 . 1 . . . . . 59 VAL H . 16850 1
885 . 2 1 59 59 VAL HA H 1 3.335 0.021 . 1 . . . . . 59 VAL HA . 16850 1
886 . 2 1 59 59 VAL CA C 13 64.550 . . 1 . . . . . 59 VAL CA . 16850 1
887 . 2 1 59 59 VAL CB C 13 30.416 0.0 . 1 . . . . . 59 VAL CB . 16850 1
888 . 2 1 59 59 VAL N N 15 120.599 0.0 . 1 . . . . . 59 VAL N . 16850 1
889 . 2 1 60 60 ASP H H 1 8.330 . . 1 . . . . . 60 ASP H . 16850 1
890 . 2 1 60 60 ASP HA H 1 4.505 0.021 . 1 . . . . . 60 ASP HA . 16850 1
891 . 2 1 60 60 ASP HB2 H 1 2.415 0.021 . 2 . . . . . 60 ASP HB2 . 16850 1
892 . 2 1 60 60 ASP HB3 H 1 6.931 6.096 . 2 . . . . . 60 ASP HB3 . 16850 1
893 . 2 1 60 60 ASP CA C 13 56.287 . . 1 . . . . . 60 ASP CA . 16850 1
894 . 2 1 60 60 ASP CB C 13 40.792 0.0 . 1 . . . . . 60 ASP CB . 16850 1
895 . 2 1 60 60 ASP N N 15 120.370 0.0 . 1 . . . . . 60 ASP N . 16850 1
896 . 2 1 61 61 ASP H H 1 8.493 . . 1 . . . . . 61 ASP H . 16850 1
897 . 2 1 61 61 ASP HA H 1 4.265 0.021 . 1 . . . . . 61 ASP HA . 16850 1
898 . 2 1 61 61 ASP CA C 13 56.076 0.0 . 1 . . . . . 61 ASP CA . 16850 1
899 . 2 1 61 61 ASP CB C 13 40.930 . . 1 . . . . . 61 ASP CB . 16850 1
900 . 2 1 61 61 ASP N N 15 122.040 0.0 . 1 . . . . . 61 ASP N . 16850 1
901 . 2 1 62 62 CYS H H 1 8.120 . . 1 . . . . . 62 CYS H . 16850 1
902 . 2 1 62 62 CYS HA H 1 4.575 0.021 . 1 . . . . . 62 CYS HA . 16850 1
903 . 2 1 62 62 CYS CA C 13 56.070 0.0 . 1 . . . . . 62 CYS CA . 16850 1
904 . 2 1 62 62 CYS CB C 13 26.190 . . 1 . . . . . 62 CYS CB . 16850 1
905 . 2 1 62 62 CYS N N 15 120.480 0.0 . 1 . . . . . 62 CYS N . 16850 1
906 . 2 1 63 63 GLN H H 1 8.130 0.0 . 1 . . . . . 63 GLN H . 16850 1
907 . 2 1 63 63 GLN HA H 1 3.825 0.021 . 1 . . . . . 63 GLN HA . 16850 1
908 . 2 1 63 63 GLN CA C 13 59.083 0.006 . 1 . . . . . 63 GLN CA . 16850 1
909 . 2 1 63 63 GLN CB C 13 28.437 0.037 . 1 . . . . . 63 GLN CB . 16850 1
910 . 2 1 63 63 GLN N N 15 123.593 0.016 . 1 . . . . . 63 GLN N . 16850 1
911 . 2 1 64 64 ASP H H 1 8.900 0.0 . 1 . . . . . 64 ASP H . 16850 1
912 . 2 1 64 64 ASP HA H 1 4.015 0.021 . 1 . . . . . 64 ASP HA . 16850 1
913 . 2 1 64 64 ASP HB2 H 1 2.315 0.021 . 2 . . . . . 64 ASP HB2 . 16850 1
914 . 2 1 64 64 ASP HB3 H 1 2.485 0.021 . 2 . . . . . 64 ASP HB3 . 16850 1
915 . 2 1 64 64 ASP CA C 13 56.210 . . 1 . . . . . 64 ASP CA . 16850 1
916 . 2 1 64 64 ASP CB C 13 38.550 0.0 . 1 . . . . . 64 ASP CB . 16850 1
917 . 2 1 64 64 ASP N N 15 118.700 0.0 . 1 . . . . . 64 ASP N . 16850 1
918 . 2 1 65 65 VAL H H 1 7.580 . . 1 . . . . . 65 VAL H . 16850 1
919 . 2 1 65 65 VAL HA H 1 3.185 0.021 . 1 . . . . . 65 VAL HA . 16850 1
920 . 2 1 65 65 VAL HB H 1 1.485 0.021 . 1 . . . . . 65 VAL HB . 16850 1
921 . 2 1 65 65 VAL CA C 13 65.800 . . 1 . . . . . 65 VAL CA . 16850 1
922 . 2 1 65 65 VAL CB C 13 31.200 0.0 . 1 . . . . . 65 VAL CB . 16850 1
923 . 2 1 65 65 VAL N N 15 122.800 0.0 . 1 . . . . . 65 VAL N . 16850 1
924 . 2 1 66 66 ALA H H 1 7.670 0.0 . 1 . . . . . 66 ALA H . 16850 1
925 . 2 1 66 66 ALA HA H 1 3.225 0.021 . 1 . . . . . 66 ALA HA . 16850 1
926 . 2 1 66 66 ALA HB1 H 1 1.035 0.021 . 1 . . . . . 66 ALA HB1 . 16850 1
927 . 2 1 66 66 ALA HB2 H 1 1.035 0.021 . 1 . . . . . 66 ALA HB2 . 16850 1
928 . 2 1 66 66 ALA HB3 H 1 1.035 0.021 . 1 . . . . . 66 ALA HB3 . 16850 1
929 . 2 1 66 66 ALA CA C 13 55.500 . . 1 . . . . . 66 ALA CA . 16850 1
930 . 2 1 66 66 ALA CB C 13 17.940 . . 1 . . . . . 66 ALA CB . 16850 1
931 . 2 1 66 66 ALA N N 15 121.000 0.0 . 1 . . . . . 66 ALA N . 16850 1
932 . 2 1 67 67 SER H H 1 8.200 0.0 . 1 . . . . . 67 SER H . 16850 1
933 . 2 1 67 67 SER HA H 1 3.945 0.021 . 1 . . . . . 67 SER HA . 16850 1
934 . 2 1 67 67 SER CA C 13 61.170 . . 1 . . . . . 67 SER CA . 16850 1
935 . 2 1 67 67 SER CB C 13 62.480 0.0 . 1 . . . . . 67 SER CB . 16850 1
936 . 2 1 67 67 SER N N 15 112.070 0.0 . 1 . . . . . 67 SER N . 16850 1
937 . 2 1 68 68 GLU H H 1 8.100 . . 1 . . . . . 68 GLU H . 16850 1
938 . 2 1 68 68 GLU HA H 1 3.785 0.021 . 1 . . . . . 68 GLU HA . 16850 1
939 . 2 1 68 68 GLU CA C 13 59.420 . . 1 . . . . . 68 GLU CA . 16850 1
940 . 2 1 68 68 GLU CB C 13 28.800 . . 1 . . . . . 68 GLU CB . 16850 1
941 . 2 1 68 68 GLU N N 15 124.800 . . 1 . . . . . 68 GLU N . 16850 1
942 . 2 1 69 69 CYS H H 1 7.800 0.0 . 1 . . . . . 69 CYS H . 16850 1
943 . 2 1 69 69 CYS HA H 1 4.185 0.021 . 1 . . . . . 69 CYS HA . 16850 1
944 . 2 1 69 69 CYS CA C 13 60.800 0.0 . 1 . . . . . 69 CYS CA . 16850 1
945 . 2 1 69 69 CYS CB C 13 27.400 . . 1 . . . . . 69 CYS CB . 16850 1
946 . 2 1 69 69 CYS N N 15 115.270 0.0 . 1 . . . . . 69 CYS N . 16850 1
947 . 2 1 70 70 GLU H H 1 7.730 0.0 . 1 . . . . . 70 GLU H . 16850 1
948 . 2 1 70 70 GLU HA H 1 3.445 0.021 . 1 . . . . . 70 GLU HA . 16850 1
949 . 2 1 70 70 GLU CA C 13 56.650 0.0 . 1 . . . . . 70 GLU CA . 16850 1
950 . 2 1 70 70 GLU CB C 13 26.600 0.0 . 1 . . . . . 70 GLU CB . 16850 1
951 . 2 1 70 70 GLU N N 15 117.820 0.0 . 1 . . . . . 70 GLU N . 16850 1
952 . 2 1 71 71 VAL H H 1 7.570 0.0 . 1 . . . . . 71 VAL H . 16850 1
953 . 2 1 71 71 VAL HA H 1 3.145 0.021 . 1 . . . . . 71 VAL HA . 16850 1
954 . 2 1 71 71 VAL HB H 1 1.085 0.021 . 1 . . . . . 71 VAL HB . 16850 1
955 . 2 1 71 71 VAL CA C 13 64.210 . . 1 . . . . . 71 VAL CA . 16850 1
956 . 2 1 71 71 VAL CB C 13 30.910 0.0 . 1 . . . . . 71 VAL CB . 16850 1
957 . 2 1 71 71 VAL N N 15 119.870 0.0 . 1 . . . . . 71 VAL N . 16850 1
958 . 2 1 72 72 LYS H H 1 8.830 0.0 . 1 . . . . . 72 LYS H . 16850 1
959 . 2 1 72 72 LYS HA H 1 4.125 0.021 . 1 . . . . . 72 LYS HA . 16850 1
960 . 2 1 72 72 LYS HB2 H 1 1.285 0.021 . 2 . . . . . 72 LYS HB2 . 16850 1
961 . 2 1 72 72 LYS HB3 H 1 1.585 0.021 . 2 . . . . . 72 LYS HB3 . 16850 1
962 . 2 1 72 72 LYS CA C 13 55.900 0.0 . 1 . . . . . 72 LYS CA . 16850 1
963 . 2 1 72 72 LYS CB C 13 34.500 0.0 . 1 . . . . . 72 LYS CB . 16850 1
964 . 2 1 72 72 LYS N N 15 128.080 0.0 . 1 . . . . . 72 LYS N . 16850 1
965 . 2 1 73 73 CYS H H 1 7.600 0.0 . 1 . . . . . 73 CYS H . 16850 1
966 . 2 1 73 73 CYS HA H 1 4.295 0.021 . 1 . . . . . 73 CYS HA . 16850 1
967 . 2 1 73 73 CYS HB2 H 1 2.475 0.021 . 1 . . . . . 73 CYS HB2 . 16850 1
968 . 2 1 73 73 CYS HB3 H 1 2.475 0.021 . 1 . . . . . 73 CYS HB3 . 16850 1
969 . 2 1 73 73 CYS CA C 13 57.138 0.0 . 1 . . . . . 73 CYS CA . 16850 1
970 . 2 1 73 73 CYS CB C 13 28.820 . . 1 . . . . . 73 CYS CB . 16850 1
971 . 2 1 73 73 CYS N N 15 117.600 0.0 . 1 . . . . . 73 CYS N . 16850 1
972 . 2 1 74 74 MET H H 1 8.620 . . 1 . . . . . 74 MET H . 16850 1
973 . 2 1 74 74 MET HA H 1 4.498 0.022 . 1 . . . . . 74 MET HA . 16850 1
974 . 2 1 74 74 MET CA C 13 52.360 0.0 . 1 . . . . . 74 MET CA . 16850 1
975 . 2 1 74 74 MET CB C 13 33.580 . . 1 . . . . . 74 MET CB . 16850 1
976 . 2 1 74 74 MET N N 15 122.200 . . 1 . . . . . 74 MET N . 16850 1
977 . 2 1 76 76 THR H H 1 7.440 0.0 . 1 . . . . . 76 THR H . 16850 1
978 . 2 1 76 76 THR HA H 1 4.425 0.021 . 1 . . . . . 76 THR HA . 16850 1
979 . 2 1 76 76 THR HB H 1 3.505 0.021 . 1 . . . . . 76 THR HB . 16850 1
980 . 2 1 76 76 THR CA C 13 63.070 0.0 . 1 . . . . . 76 THR CA . 16850 1
981 . 2 1 76 76 THR CB C 13 72.790 . . 1 . . . . . 76 THR CB . 16850 1
982 . 2 1 76 76 THR N N 15 116.790 0.0 . 1 . . . . . 76 THR N . 16850 1
983 . 2 1 77 77 PHE H H 1 8.860 0.0 . 1 . . . . . 77 PHE H . 16850 1
984 . 2 1 77 77 PHE HA H 1 5.415 0.021 . 1 . . . . . 77 PHE HA . 16850 1
985 . 2 1 77 77 PHE HB2 H 1 1.965 0.021 . 2 . . . . . 77 PHE HB2 . 16850 1
986 . 2 1 77 77 PHE HB3 H 1 2.125 0.021 . 2 . . . . . 77 PHE HB3 . 16850 1
987 . 2 1 77 77 PHE CA C 13 55.360 . . 1 . . . . . 77 PHE CA . 16850 1
988 . 2 1 77 77 PHE CB C 13 40.900 0.0 . 1 . . . . . 77 PHE CB . 16850 1
989 . 2 1 77 77 PHE N N 15 125.300 0.0 . 1 . . . . . 77 PHE N . 16850 1
990 . 2 1 78 78 GLN H H 1 8.670 0.001 . 1 . . . . . 78 GLN H . 16850 1
991 . 2 1 78 78 GLN HA H 1 4.675 0.021 . 1 . . . . . 78 GLN HA . 16850 1
992 . 2 1 78 78 GLN HB2 H 1 1.665 0.021 . 2 . . . . . 78 GLN HB2 . 16850 1
993 . 2 1 78 78 GLN HB3 H 1 1.825 0.021 . 2 . . . . . 78 GLN HB3 . 16850 1
994 . 2 1 78 78 GLN CA C 13 54.197 0.0 . 1 . . . . . 78 GLN CA . 16850 1
995 . 2 1 78 78 GLN CB C 13 33.008 . . 1 . . . . . 78 GLN CB . 16850 1
996 . 2 1 78 78 GLN N N 15 119.260 0.0 . 1 . . . . . 78 GLN N . 16850 1
997 . 2 1 79 79 PHE H H 1 7.900 0.0 . 1 . . . . . 79 PHE H . 16850 1
998 . 2 1 79 79 PHE HA H 1 5.215 0.021 . 1 . . . . . 79 PHE HA . 16850 1
999 . 2 1 79 79 PHE CA C 13 55.370 0.0 . 1 . . . . . 79 PHE CA . 16850 1
1000 . 2 1 79 79 PHE CB C 13 41.580 0.0 . 1 . . . . . 79 PHE CB . 16850 1
1001 . 2 1 79 79 PHE N N 15 120.072 0.029 . 1 . . . . . 79 PHE N . 16850 1
1002 . 2 1 80 80 PHE H H 1 10.000 0.0 . 1 . . . . . 80 PHE H . 16850 1
1003 . 2 1 80 80 PHE HA H 1 5.255 0.021 . 1 . . . . . 80 PHE HA . 16850 1
1004 . 2 1 80 80 PHE HB2 H 1 2.255 0.021 . 2 . . . . . 80 PHE HB2 . 16850 1
1005 . 2 1 80 80 PHE HB3 H 1 2.385 0.021 . 2 . . . . . 80 PHE HB3 . 16850 1
1006 . 2 1 80 80 PHE CA C 13 56.430 0.0 . 1 . . . . . 80 PHE CA . 16850 1
1007 . 2 1 80 80 PHE CB C 13 44.030 0.0 . 1 . . . . . 80 PHE CB . 16850 1
1008 . 2 1 80 80 PHE N N 15 123.160 0.0 . 1 . . . . . 80 PHE N . 16850 1
1009 . 2 1 81 81 LYS H H 1 8.900 . . 1 . . . . . 81 LYS H . 16850 1
1010 . 2 1 81 81 LYS HA H 1 4.255 0.021 . 1 . . . . . 81 LYS HA . 16850 1
1011 . 2 1 81 81 LYS HB2 H 1 1.275 0.021 . 2 . . . . . 81 LYS HB2 . 16850 1
1012 . 2 1 81 81 LYS HB3 H 1 1.415 0.021 . 2 . . . . . 81 LYS HB3 . 16850 1
1013 . 2 1 81 81 LYS CA C 13 56.170 . . 1 . . . . . 81 LYS CA . 16850 1
1014 . 2 1 81 81 LYS CB C 13 36.100 . . 1 . . . . . 81 LYS CB . 16850 1
1015 . 2 1 81 81 LYS N N 15 119.000 0.0 . 1 . . . . . 81 LYS N . 16850 1
1016 . 2 1 82 82 LYS H H 1 10.230 0.0 . 1 . . . . . 82 LYS H . 16850 1
1017 . 2 1 82 82 LYS HA H 1 3.705 0.021 . 1 . . . . . 82 LYS HA . 16850 1
1018 . 2 1 82 82 LYS HB2 H 1 1.445 0.021 . 2 . . . . . 82 LYS HB2 . 16850 1
1019 . 2 1 82 82 LYS HB3 H 1 1.785 0.021 . 2 . . . . . 82 LYS HB3 . 16850 1
1020 . 2 1 82 82 LYS CA C 13 56.540 . . 1 . . . . . 82 LYS CA . 16850 1
1021 . 2 1 82 82 LYS CB C 13 29.830 . . 1 . . . . . 82 LYS CB . 16850 1
1022 . 2 1 82 82 LYS N N 15 130.240 0.0 . 1 . . . . . 82 LYS N . 16850 1
1023 . 2 1 83 83 GLY H H 1 9.370 0.0 . 1 . . . . . 83 GLY H . 16850 1
1024 . 2 1 83 83 GLY HA2 H 1 3.025 0.021 . 2 . . . . . 83 GLY HA2 . 16850 1
1025 . 2 1 83 83 GLY HA3 H 1 3.885 0.021 . 2 . . . . . 83 GLY HA3 . 16850 1
1026 . 2 1 83 83 GLY CA C 13 45.690 0.0 . 1 . . . . . 83 GLY CA . 16850 1
1027 . 2 1 83 83 GLY N N 15 104.860 0.002 . 1 . . . . . 83 GLY N . 16850 1
1028 . 2 1 84 84 GLN H H 1 7.780 0.001 . 1 . . . . . 84 GLN H . 16850 1
1029 . 2 1 84 84 GLN HA H 1 4.445 0.021 . 1 . . . . . 84 GLN HA . 16850 1
1030 . 2 1 84 84 GLN HB2 H 1 1.655 0.021 . 2 . . . . . 84 GLN HB2 . 16850 1
1031 . 2 1 84 84 GLN HB3 H 1 1.815 0.021 . 2 . . . . . 84 GLN HB3 . 16850 1
1032 . 2 1 84 84 GLN CA C 13 53.340 0.0 . 1 . . . . . 84 GLN CA . 16850 1
1033 . 2 1 84 84 GLN CB C 13 30.900 . . 1 . . . . . 84 GLN CB . 16850 1
1034 . 2 1 84 84 GLN N N 15 119.370 0.0 . 1 . . . . . 84 GLN N . 16850 1
1035 . 2 1 85 85 LYS H H 1 8.990 0.0 . 1 . . . . . 85 LYS H . 16850 1
1036 . 2 1 85 85 LYS HA H 1 3.625 0.021 . 1 . . . . . 85 LYS HA . 16850 1
1037 . 2 1 85 85 LYS HB2 H 1 1.137 0.021 . 2 . . . . . 85 LYS HB2 . 16850 1
1038 . 2 1 85 85 LYS HB3 H 1 1.445 0.021 . 2 . . . . . 85 LYS HB3 . 16850 1
1039 . 2 1 85 85 LYS CA C 13 57.113 0.013 . 1 . . . . . 85 LYS CA . 16850 1
1040 . 2 1 85 85 LYS CB C 13 27.200 . . 1 . . . . . 85 LYS CB . 16850 1
1041 . 2 1 85 85 LYS N N 15 126.740 0.0 . 1 . . . . . 85 LYS N . 16850 1
1042 . 2 1 86 86 VAL H H 1 9.230 0.0 . 1 . . . . . 86 VAL H . 16850 1
1043 . 2 1 86 86 VAL HA H 1 4.258 0.023 . 1 . . . . . 86 VAL HA . 16850 1
1044 . 2 1 86 86 VAL CA C 13 60.620 0.0 . 1 . . . . . 86 VAL CA . 16850 1
1045 . 2 1 86 86 VAL CB C 13 31.850 0.0 . 1 . . . . . 86 VAL CB . 16850 1
1046 . 2 1 86 86 VAL N N 15 121.741 0.026 . 1 . . . . . 86 VAL N . 16850 1
1047 . 2 1 87 87 GLY H H 1 7.470 0.0 . 1 . . . . . 87 GLY H . 16850 1
1048 . 2 1 87 87 GLY HA2 H 1 3.565 0.021 . 2 . . . . . 87 GLY HA2 . 16850 1
1049 . 2 1 87 87 GLY HA3 H 1 3.985 0.021 . 2 . . . . . 87 GLY HA3 . 16850 1
1050 . 2 1 87 87 GLY CA C 13 45.910 0.0 . 1 . . . . . 87 GLY CA . 16850 1
1051 . 2 1 87 87 GLY N N 15 108.611 0.002 . 1 . . . . . 87 GLY N . 16850 1
1052 . 2 1 88 88 GLU H H 1 8.620 . . 1 . . . . . 88 GLU H . 16850 1
1053 . 2 1 88 88 GLU HA H 1 5.215 0.021 . 1 . . . . . 88 GLU HA . 16850 1
1054 . 2 1 88 88 GLU CA C 13 55.920 . . 1 . . . . . 88 GLU CA . 16850 1
1055 . 2 1 88 88 GLU CB C 13 32.790 . . 1 . . . . . 88 GLU CB . 16850 1
1056 . 2 1 88 88 GLU N N 15 118.480 0.0 . 1 . . . . . 88 GLU N . 16850 1
1057 . 2 1 89 89 PHE H H 1 9.143 0.0 . 1 . . . . . 89 PHE H . 16850 1
1058 . 2 1 89 89 PHE HA H 1 4.715 0.021 . 1 . . . . . 89 PHE HA . 16850 1
1059 . 2 1 89 89 PHE CA C 13 58.090 0.0 . 1 . . . . . 89 PHE CA . 16850 1
1060 . 2 1 89 89 PHE CB C 13 41.530 0.0 . 1 . . . . . 89 PHE CB . 16850 1
1061 . 2 1 89 89 PHE N N 15 120.550 0.0 . 1 . . . . . 89 PHE N . 16850 1
1062 . 2 1 90 90 SER H H 1 8.770 0.0 . 1 . . . . . 90 SER H . 16850 1
1063 . 2 1 90 90 SER HA H 1 4.985 0.021 . 1 . . . . . 90 SER HA . 16850 1
1064 . 2 1 90 90 SER HB2 H 1 3.365 0.021 . 2 . . . . . 90 SER HB2 . 16850 1
1065 . 2 1 90 90 SER HB3 H 1 3.555 0.021 . 2 . . . . . 90 SER HB3 . 16850 1
1066 . 2 1 90 90 SER CA C 13 56.970 0.0 . 1 . . . . . 90 SER CA . 16850 1
1067 . 2 1 90 90 SER CB C 13 65.650 . . 1 . . . . . 90 SER CB . 16850 1
1068 . 2 1 90 90 SER N N 15 118.841 0.003 . 1 . . . . . 90 SER N . 16850 1
1069 . 2 1 91 91 GLY H H 1 7.830 0.0 . 1 . . . . . 91 GLY H . 16850 1
1070 . 2 1 91 91 GLY HA2 H 1 4.049 0.021 . 2 . . . . . 91 GLY HA2 . 16850 1
1071 . 2 1 91 91 GLY HA3 H 1 4.195 0.021 . 2 . . . . . 91 GLY HA3 . 16850 1
1072 . 2 1 91 91 GLY CA C 13 43.890 . . 1 . . . . . 91 GLY CA . 16850 1
1073 . 2 1 91 91 GLY N N 15 110.600 0.0 . 1 . . . . . 91 GLY N . 16850 1
1074 . 2 1 92 92 ALA H H 1 8.470 0.0 . 1 . . . . . 92 ALA H . 16850 1
1075 . 2 1 92 92 ALA HA H 1 4.685 0.021 . 1 . . . . . 92 ALA HA . 16850 1
1076 . 2 1 92 92 ALA HB1 H 1 1.055 0.021 . 1 . . . . . 92 ALA HB1 . 16850 1
1077 . 2 1 92 92 ALA HB2 H 1 1.055 0.021 . 1 . . . . . 92 ALA HB2 . 16850 1
1078 . 2 1 92 92 ALA HB3 H 1 1.055 0.021 . 1 . . . . . 92 ALA HB3 . 16850 1
1079 . 2 1 92 92 ALA CA C 13 50.640 0.0 . 1 . . . . . 92 ALA CA . 16850 1
1080 . 2 1 92 92 ALA CB C 13 18.410 0.0 . 1 . . . . . 92 ALA CB . 16850 1
1081 . 2 1 92 92 ALA N N 15 122.200 . . 1 . . . . . 92 ALA N . 16850 1
1082 . 2 1 93 93 ASN H H 1 7.540 0.0 . 1 . . . . . 93 ASN H . 16850 1
1083 . 2 1 93 93 ASN HA H 1 4.445 0.021 . 1 . . . . . 93 ASN HA . 16850 1
1084 . 2 1 93 93 ASN HB2 H 1 2.415 0.021 . 2 . . . . . 93 ASN HB2 . 16850 1
1085 . 2 1 93 93 ASN HB3 H 1 2.645 0.021 . 2 . . . . . 93 ASN HB3 . 16850 1
1086 . 2 1 93 93 ASN CA C 13 52.540 . . 1 . . . . . 93 ASN CA . 16850 1
1087 . 2 1 93 93 ASN CB C 13 38.600 . . 1 . . . . . 93 ASN CB . 16850 1
1088 . 2 1 93 93 ASN N N 15 121.300 0.0 . 1 . . . . . 93 ASN N . 16850 1
1089 . 2 1 94 94 LYS H H 1 8.500 0.0 . 1 . . . . . 94 LYS H . 16850 1
1090 . 2 1 94 94 LYS HA H 1 3.215 0.021 . 1 . . . . . 94 LYS HA . 16850 1
1091 . 2 1 94 94 LYS HB2 H 1 0.605 0.021 . 2 . . . . . 94 LYS HB2 . 16850 1
1092 . 2 1 94 94 LYS HB3 H 1 0.955 0.021 . 2 . . . . . 94 LYS HB3 . 16850 1
1093 . 2 1 94 94 LYS CA C 13 60.400 0.0 . 1 . . . . . 94 LYS CA . 16850 1
1094 . 2 1 94 94 LYS CB C 13 31.960 . . 1 . . . . . 94 LYS CB . 16850 1
1095 . 2 1 94 94 LYS N N 15 126.850 0.0 . 1 . . . . . 94 LYS N . 16850 1
1096 . 2 1 95 95 GLU H H 1 8.310 0.0 . 1 . . . . . 95 GLU H . 16850 1
1097 . 2 1 95 95 GLU HA H 1 3.805 0.021 . 1 . . . . . 95 GLU HA . 16850 1
1098 . 2 1 95 95 GLU CA C 13 59.960 0.0 . 1 . . . . . 95 GLU CA . 16850 1
1099 . 2 1 95 95 GLU CB C 13 28.250 0.0 . 1 . . . . . 95 GLU CB . 16850 1
1100 . 2 1 95 95 GLU N N 15 119.800 0.0 . 1 . . . . . 95 GLU N . 16850 1
1101 . 2 1 96 96 LYS H H 1 7.900 0.0 . 1 . . . . . 96 LYS H . 16850 1
1102 . 2 1 96 96 LYS HA H 1 3.625 0.021 . 1 . . . . . 96 LYS HA . 16850 1
1103 . 2 1 96 96 LYS CA C 13 58.200 . . 1 . . . . . 96 LYS CA . 16850 1
1104 . 2 1 96 96 LYS CB C 13 31.900 0.0 . 1 . . . . . 96 LYS CB . 16850 1
1105 . 2 1 96 96 LYS N N 15 121.600 0.0 . 1 . . . . . 96 LYS N . 16850 1
1106 . 2 1 97 97 LEU H H 1 7.870 0.0 . 1 . . . . . 97 LEU H . 16850 1
1107 . 2 1 97 97 LEU HA H 1 3.705 0.021 . 1 . . . . . 97 LEU HA . 16850 1
1108 . 2 1 97 97 LEU HB2 H 1 1.675 0.021 . 2 . . . . . 97 LEU HB2 . 16850 1
1109 . 2 1 97 97 LEU HB3 H 1 1.785 0.021 . 2 . . . . . 97 LEU HB3 . 16850 1
1110 . 2 1 97 97 LEU CA C 13 58.840 . . 1 . . . . . 97 LEU CA . 16850 1
1111 . 2 1 97 97 LEU CB C 13 29.400 . . 1 . . . . . 97 LEU CB . 16850 1
1112 . 2 1 97 97 LEU N N 15 118.960 0.0 . 1 . . . . . 97 LEU N . 16850 1
1113 . 2 1 98 98 GLU H H 1 7.740 0.0 . 1 . . . . . 98 GLU H . 16850 1
1114 . 2 1 98 98 GLU HA H 1 3.705 0.021 . 1 . . . . . 98 GLU HA . 16850 1
1115 . 2 1 98 98 GLU HB2 H 1 1.675 0.021 . 2 . . . . . 98 GLU HB2 . 16850 1
1116 . 2 1 98 98 GLU HB3 H 1 1.785 0.021 . 2 . . . . . 98 GLU HB3 . 16850 1
1117 . 2 1 98 98 GLU CA C 13 58.800 0.0 . 1 . . . . . 98 GLU CA . 16850 1
1118 . 2 1 98 98 GLU CB C 13 29.500 0.0 . 1 . . . . . 98 GLU CB . 16850 1
1119 . 2 1 98 98 GLU N N 15 118.400 0.0 . 1 . . . . . 98 GLU N . 16850 1
1120 . 2 1 99 99 ALA H H 1 8.290 0.0 . 1 . . . . . 99 ALA H . 16850 1
1121 . 2 1 99 99 ALA HA H 1 3.815 0.021 . 1 . . . . . 99 ALA HA . 16850 1
1122 . 2 1 99 99 ALA HB1 H 1 1.115 0.021 . 1 . . . . . 99 ALA HB1 . 16850 1
1123 . 2 1 99 99 ALA HB2 H 1 1.115 0.021 . 1 . . . . . 99 ALA HB2 . 16850 1
1124 . 2 1 99 99 ALA HB3 H 1 1.115 0.021 . 1 . . . . . 99 ALA HB3 . 16850 1
1125 . 2 1 99 99 ALA CA C 13 55.160 0.0 . 1 . . . . . 99 ALA CA . 16850 1
1126 . 2 1 99 99 ALA CB C 13 17.800 0.0 . 1 . . . . . 99 ALA CB . 16850 1
1127 . 2 1 99 99 ALA N N 15 120.980 0.0 . 1 . . . . . 99 ALA N . 16850 1
1128 . 2 1 100 100 THR H H 1 7.660 0.0 . 1 . . . . . 100 THR H . 16850 1
1129 . 2 1 100 100 THR HA H 1 3.738 0.022 . 1 . . . . . 100 THR HA . 16850 1
1130 . 2 1 100 100 THR HB H 1 0.988 0.022 . 1 . . . . . 100 THR HB . 16850 1
1131 . 2 1 100 100 THR CA C 13 54.550 0.0 . 1 . . . . . 100 THR CA . 16850 1
1132 . 2 1 100 100 THR CB C 13 72.280 . . 1 . . . . . 100 THR CB . 16850 1
1133 . 2 1 100 100 THR N N 15 118.180 0.0 . 1 . . . . . 100 THR N . 16850 1
1134 . 2 1 107 107 GLU H H 1 7.990 0.0 . 1 . . . . . 107 GLU H . 16850 1
1135 . 2 1 107 107 GLU HA H 1 3.865 0.021 . 1 . . . . . 107 GLU HA . 16850 1
1136 . 2 1 107 107 GLU CA C 13 56.683 . . 1 . . . . . 107 GLU CA . 16850 1
1137 . 2 1 107 107 GLU CB C 13 29.753 0.012 . 1 . . . . . 107 GLU CB . 16850 1
1138 . 2 1 107 107 GLU N N 15 120.958 0.0 . 1 . . . . . 107 GLU N . 16850 1
1139 . 2 1 108 108 HIS H H 1 8.350 0.0 . 1 . . . . . 108 HIS H . 16850 1
1140 . 2 1 108 108 HIS HA H 1 4.275 0.021 . 1 . . . . . 108 HIS HA . 16850 1
1141 . 2 1 108 108 HIS CA C 13 55.642 0.044 . 1 . . . . . 108 HIS CA . 16850 1
1142 . 2 1 108 108 HIS CB C 13 29.629 0.012 . 1 . . . . . 108 HIS CB . 16850 1
1143 . 2 1 108 108 HIS N N 15 119.860 0.016 . 1 . . . . . 108 HIS N . 16850 1
1144 . 2 1 109 109 HIS H H 1 8.570 0.0 . 1 . . . . . 109 HIS H . 16850 1
1145 . 2 1 109 109 HIS CA C 13 55.630 0.0 . 1 . . . . . 109 HIS CA . 16850 1
1146 . 2 1 109 109 HIS CB C 13 29.513 . . 1 . . . . . 109 HIS CB . 16850 1
1147 . 2 1 109 109 HIS N N 15 121.388 0.006 . 1 . . . . . 109 HIS N . 16850 1
1148 . 2 1 110 110 HIS H H 1 8.230 0.001 . 1 . . . . . 110 HIS H . 16850 1
1149 . 2 1 110 110 HIS HA H 1 4.108 0.022 . 1 . . . . . 110 HIS HA . 16850 1
1150 . 2 1 110 110 HIS CA C 13 57.142 0.0 . 1 . . . . . 110 HIS CA . 16850 1
1151 . 2 1 110 110 HIS CB C 13 29.621 . . 1 . . . . . 110 HIS CB . 16850 1
1152 . 2 1 110 110 HIS N N 15 126.055 0.0 . 1 . . . . . 110 HIS N . 16850 1
stop_
save_