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 16856
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '2D 1H-15N HSQC' . . . 16856 1
2 '2D 1H-13C HSQC' . . . 16856 1
4 '2D 1H-1H NOESY' . . . 16856 1
5 '3D CBCA(CO)NH' . . . 16856 1
6 '3D HNCACB' . . . 16856 1
7 '3D HNCO' . . . 16856 1
8 '3D HNHA' . . . 16856 1
9 '3D 1H-15N NOESY' . . . 16856 1
10 '3D 1H-13C NOESY' . . . 16856 1
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $CYANA . . 16856 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 1 1 1 GLY HA2 H 1 3.940 0.005 . . . . . . 1 G QA . 16856 1
2 . 1 1 1 1 GLY HA3 H 1 3.940 0.005 . . . . . . 1 G QA . 16856 1
3 . 1 1 1 1 GLY CA C 13 43.300 0.015 . . . . . . 1 G CA . 16856 1
4 . 1 1 2 2 PRO HA H 1 4.336 0.005 . . . . . . 2 P HA . 16856 1
5 . 1 1 2 2 PRO HB2 H 1 2.210 0.005 . . . . . . 2 P HB2 . 16856 1
6 . 1 1 2 2 PRO HB3 H 1 1.820 0.005 . . . . . . 2 P HB3 . 16856 1
7 . 1 1 2 2 PRO HD2 H 1 3.850 0.005 . . . . . . 2 P HD2 . 16856 1
8 . 1 1 2 2 PRO HD3 H 1 3.640 0.005 . . . . . . 2 P HD3 . 16856 1
9 . 1 1 2 2 PRO HG2 H 1 1.930 0.005 . . . . . . 2 P HG2 . 16856 1
10 . 1 1 2 2 PRO HG3 H 1 1.930 0.005 . . . . . . 2 P HG3 . 16856 1
11 . 1 1 2 2 PRO C C 13 177.400 0.015 . . . . . . 2 P C . 16856 1
12 . 1 1 2 2 PRO CA C 13 63.500 0.015 . . . . . . 2 P CA . 16856 1
13 . 1 1 2 2 PRO CB C 13 32.199 0.015 . . . . . . 2 P CB . 16856 1
14 . 1 1 2 2 PRO CD C 13 51.008 0.066 . . . . . . 2 P CD . 16856 1
15 . 1 1 2 2 PRO CG C 13 28.000 0.015 . . . . . . 2 P CG . 16856 1
16 . 1 1 3 3 GLY H H 1 8.672 0.005 . . . . . . 3 G H . 16856 1
17 . 1 1 3 3 GLY HA2 H 1 3.960 0.005 . . . . . . 3 G HA2 . 16856 1
18 . 1 1 3 3 GLY HA3 H 1 3.960 0.005 . . . . . . 3 G HA3 . 16856 1
19 . 1 1 3 3 GLY C C 13 174.200 0.015 . . . . . . 3 G C . 16856 1
20 . 1 1 3 3 GLY CA C 13 45.200 0.015 . . . . . . 3 G CA . 16856 1
21 . 1 1 3 3 GLY N N 15 110.458 0.015 . . . . . . 3 G N . 16856 1
22 . 1 1 4 4 SER H H 1 8.145 0.002 . . . . . . 4 S H . 16856 1
23 . 1 1 4 4 SER HA H 1 4.391 0.011 . . . . . . 4 S HA . 16856 1
24 . 1 1 4 4 SER HB2 H 1 3.830 0.005 . . . . . . 4 S HB2 . 16856 1
25 . 1 1 4 4 SER HB3 H 1 3.830 0.005 . . . . . . 4 S HB3 . 16856 1
26 . 1 1 4 4 SER C C 13 174.700 0.015 . . . . . . 4 S C . 16856 1
27 . 1 1 4 4 SER CA C 13 58.445 0.060 . . . . . . 4 S CA . 16856 1
28 . 1 1 4 4 SER CB C 13 63.706 0.035 . . . . . . 4 S CB . 16856 1
29 . 1 1 4 4 SER N N 15 115.757 0.030 . . . . . . 4 S N . 16856 1
30 . 1 1 5 5 MET H H 1 8.480 0.002 . . . . . . 5 M H . 16856 1
31 . 1 1 5 5 MET HA H 1 4.482 0.004 . . . . . . 5 M HA . 16856 1
32 . 1 1 5 5 MET HB2 H 1 2.030 0.005 . . . . . . 5 M HB2 . 16856 1
33 . 1 1 5 5 MET HB3 H 1 1.900 0.005 . . . . . . 5 M HB3 . 16856 1
34 . 1 1 5 5 MET HE1 H 1 1.860 0.005 . . . . . . 5 M QE . 16856 1
35 . 1 1 5 5 MET HE2 H 1 1.860 0.005 . . . . . . 5 M QE . 16856 1
36 . 1 1 5 5 MET HE3 H 1 1.860 0.005 . . . . . . 5 M QE . 16856 1
37 . 1 1 5 5 MET HG2 H 1 2.520 0.005 . . . . . . 5 M HG2 . 16856 1
38 . 1 1 5 5 MET HG3 H 1 2.460 0.005 . . . . . . 5 M HG3 . 16856 1
39 . 1 1 5 5 MET C C 13 175.800 0.015 . . . . . . 5 M C . 16856 1
40 . 1 1 5 5 MET CA C 13 55.505 0.038 . . . . . . 5 M CA . 16856 1
41 . 1 1 5 5 MET CB C 13 33.316 0.019 . . . . . . 5 M CB . 16856 1
42 . 1 1 5 5 MET CE C 13 25.861 0.039 . . . . . . 5 M CE . 16856 1
43 . 1 1 5 5 MET CG C 13 33.194 0.036 . . . . . . 5 M CG . 16856 1
44 . 1 1 5 5 MET N N 15 122.171 0.062 . . . . . . 5 M N . 16856 1
45 . 1 1 6 6 ASP H H 1 8.355 0.002 . . . . . . 6 D H . 16856 1
46 . 1 1 6 6 ASP HA H 1 4.538 0.014 . . . . . . 6 D HA . 16856 1
47 . 1 1 6 6 ASP HB2 H 1 2.670 0.005 . . . . . . 6 D HB2 . 16856 1
48 . 1 1 6 6 ASP HB3 H 1 2.670 0.005 . . . . . . 6 D HB3 . 16856 1
49 . 1 1 6 6 ASP C C 13 176.100 0.015 . . . . . . 6 D C . 16856 1
50 . 1 1 6 6 ASP CA C 13 54.201 0.112 . . . . . . 6 D CA . 16856 1
51 . 1 1 6 6 ASP CB C 13 41.200 0.015 . . . . . . 6 D CB . 16856 1
52 . 1 1 6 6 ASP N N 15 121.350 0.060 . . . . . . 6 D N . 16856 1
53 . 1 1 7 7 ASN H H 1 8.431 0.002 . . . . . . 7 N H . 16856 1
54 . 1 1 7 7 ASN HA H 1 4.458 0.011 . . . . . . 7 N HA . 16856 1
55 . 1 1 7 7 ASN HB2 H 1 2.730 0.005 . . . . . . 7 N HB2 . 16856 1
56 . 1 1 7 7 ASN HB3 H 1 2.730 0.005 . . . . . . 7 N HB3 . 16856 1
57 . 1 1 7 7 ASN HD21 H 1 7.540 0.005 . . . . . . 7 N HD21 . 16856 1
58 . 1 1 7 7 ASN HD22 H 1 6.860 0.005 . . . . . . 7 N HD22 . 16856 1
59 . 1 1 7 7 ASN C C 13 175.600 0.015 . . . . . . 7 N C . 16856 1
60 . 1 1 7 7 ASN CA C 13 54.746 0.106 . . . . . . 7 N CA . 16856 1
61 . 1 1 7 7 ASN CB C 13 38.900 0.015 . . . . . . 7 N CB . 16856 1
62 . 1 1 7 7 ASN N N 15 118.400 0.033 . . . . . . 7 N N . 16856 1
63 . 1 1 7 7 ASN ND2 N 15 112.474 0.072 . . . . . . 7 N ND2 . 16856 1
64 . 1 1 8 8 ASP H H 1 8.335 0.001 . . . . . . 8 D H . 16856 1
65 . 1 1 8 8 ASP HA H 1 4.647 0.002 . . . . . . 8 D HA . 16856 1
66 . 1 1 8 8 ASP HB2 H 1 2.870 0.005 . . . . . . 8 D HB2 . 16856 1
67 . 1 1 8 8 ASP HB3 H 1 2.670 0.005 . . . . . . 8 D HB3 . 16856 1
68 . 1 1 8 8 ASP C C 13 177.200 0.015 . . . . . . 8 D C . 16856 1
69 . 1 1 8 8 ASP CA C 13 55.374 0.016 . . . . . . 8 D CA . 16856 1
70 . 1 1 8 8 ASP CB C 13 41.345 0.047 . . . . . . 8 D CB . 16856 1
71 . 1 1 8 8 ASP N N 15 120.828 0.044 . . . . . . 8 D N . 16856 1
72 . 1 1 9 9 GLU H H 1 8.594 0.001 . . . . . . 9 E H . 16856 1
73 . 1 1 9 9 GLU HA H 1 4.112 0.005 . . . . . . 9 E HA . 16856 1
74 . 1 1 9 9 GLU HB2 H 1 2.110 0.005 . . . . . . 9 E HB2 . 16856 1
75 . 1 1 9 9 GLU HB3 H 1 2.110 0.005 . . . . . . 9 E HB3 . 16856 1
76 . 1 1 9 9 GLU HG2 H 1 2.360 0.005 . . . . . . 9 E HG2 . 16856 1
77 . 1 1 9 9 GLU HG3 H 1 2.390 0.005 . . . . . . 9 E HG3 . 16856 1
78 . 1 1 9 9 GLU C C 13 178.900 0.015 . . . . . . 9 E C . 16856 1
79 . 1 1 9 9 GLU CA C 13 59.385 0.015 . . . . . . 9 E CA . 16856 1
80 . 1 1 9 9 GLU CB C 13 29.722 0.018 . . . . . . 9 E CB . 16856 1
81 . 1 1 9 9 GLU CG C 13 36.574 0.015 . . . . . . 9 E CG . 16856 1
82 . 1 1 9 9 GLU N N 15 124.334 0.009 . . . . . . 9 E N . 16856 1
83 . 1 1 10 10 ILE H H 1 8.201 0.001 . . . . . . 10 I H . 16856 1
84 . 1 1 10 10 ILE HA H 1 3.856 0.004 . . . . . . 10 I HA . 16856 1
85 . 1 1 10 10 ILE HB H 1 1.924 0.002 . . . . . . 10 I HB . 16856 1
86 . 1 1 10 10 ILE HD11 H 1 0.741 0.001 . . . . . . 10 I QD1 . 16856 1
87 . 1 1 10 10 ILE HD12 H 1 0.741 0.001 . . . . . . 10 I QD1 . 16856 1
88 . 1 1 10 10 ILE HD13 H 1 0.741 0.001 . . . . . . 10 I QD1 . 16856 1
89 . 1 1 10 10 ILE HG12 H 1 1.110 0.005 . . . . . . 10 I HG12 . 16856 1
90 . 1 1 10 10 ILE HG13 H 1 1.720 0.005 . . . . . . 10 I HG13 . 16856 1
91 . 1 1 10 10 ILE HG21 H 1 0.756 0.001 . . . . . . 10 I QG2 . 16856 1
92 . 1 1 10 10 ILE HG22 H 1 0.756 0.001 . . . . . . 10 I QG2 . 16856 1
93 . 1 1 10 10 ILE HG23 H 1 0.756 0.001 . . . . . . 10 I QG2 . 16856 1
94 . 1 1 10 10 ILE C C 13 177.800 0.015 . . . . . . 10 I C . 16856 1
95 . 1 1 10 10 ILE CA C 13 65.263 0.107 . . . . . . 10 I CA . 16856 1
96 . 1 1 10 10 ILE CB C 13 37.129 0.090 . . . . . . 10 I CB . 16856 1
97 . 1 1 10 10 ILE CD1 C 13 13.136 0.049 . . . . . . 10 I CD1 . 16856 1
98 . 1 1 10 10 ILE CG1 C 13 29.644 0.015 . . . . . . 10 I CG1 . 16856 1
99 . 1 1 10 10 ILE CG2 C 13 18.551 0.070 . . . . . . 10 I CG2 . 16856 1
100 . 1 1 10 10 ILE N N 15 119.931 0.011 . . . . . . 10 I N . 16856 1
101 . 1 1 11 11 PHE H H 1 8.559 0.001 . . . . . . 11 F H . 16856 1
102 . 1 1 11 11 PHE HA H 1 4.041 0.005 . . . . . . 11 F HA . 16856 1
103 . 1 1 11 11 PHE HB2 H 1 3.22 0.005 . . . . . . 11 F HB2 . 16856 1
104 . 1 1 11 11 PHE HB3 H 1 2.99 0.005 . . . . . . 11 F HB3 . 16856 1
105 . 1 1 11 11 PHE HD1 H 1 6.978 0.001 . . . . . . 11 F QD . 16856 1
106 . 1 1 11 11 PHE HD2 H 1 6.978 0.001 . . . . . . 11 F QD . 16856 1
107 . 1 1 11 11 PHE HE1 H 1 7.080 0.005 . . . . . . 11 F HE1 . 16856 1
108 . 1 1 11 11 PHE HE2 H 1 7.080 0.005 . . . . . . 11 F HE2 . 16856 1
109 . 1 1 11 11 PHE HZ H 1 7.250 0.005 . . . . . . 11 F HZ . 16856 1
110 . 1 1 11 11 PHE C C 13 176.200 0.015 . . . . . . 11 F C . 16856 1
111 . 1 1 11 11 PHE CA C 13 61.257 0.093 . . . . . . 11 F CA . 16856 1
112 . 1 1 11 11 PHE CB C 13 38.358 0.106 . . . . . . 11 F CB . 16856 1
113 . 1 1 11 11 PHE N N 15 119.134 0.063 . . . . . . 11 F N . 16856 1
114 . 1 1 12 12 SER H H 1 8.489 0.002 . . . . . . 12 S H . 16856 1
115 . 1 1 12 12 SER HA H 1 3.583 0.002 . . . . . . 12 S HA . 16856 1
116 . 1 1 12 12 SER HB2 H 1 3.920 0.005 . . . . . . 12 S HB2 . 16856 1
117 . 1 1 12 12 SER HB3 H 1 3.920 0.005 . . . . . . 12 S HB3 . 16856 1
118 . 1 1 12 12 SER C C 13 176.800 0.015 . . . . . . 12 S C . 16856 1
119 . 1 1 12 12 SER CA C 13 62.053 0.055 . . . . . . 12 S CA . 16856 1
120 . 1 1 12 12 SER CB C 13 62.600 0.015 . . . . . . 12 S CB . 16856 1
121 . 1 1 12 12 SER N N 15 113.194 0.091 . . . . . . 12 S N . 16856 1
122 . 1 1 13 13 LYS H H 1 7.654 0.002 . . . . . . 13 K H . 16856 1
123 . 1 1 13 13 LYS HA H 1 4.130 0.005 . . . . . . 13 K HA . 16856 1
124 . 1 1 13 13 LYS HB2 H 1 1.990 0.005 . . . . . . 13 K HB2 . 16856 1
125 . 1 1 13 13 LYS HB3 H 1 1.990 0.005 . . . . . . 13 K HB3 . 16856 1
126 . 1 1 13 13 LYS HG2 H 1 1.420 0.005 . . . . . . 13 K HG2 . 16856 1
127 . 1 1 13 13 LYS HG3 H 1 1.250 0.005 . . . . . . 13 K HG3 . 16856 1
128 . 1 1 13 13 LYS C C 13 178.500 0.015 . . . . . . 13 K C . 16856 1
129 . 1 1 13 13 LYS CA C 13 58.900 0.015 . . . . . . 13 K CA . 16856 1
130 . 1 1 13 13 LYS CB C 13 32.252 0.079 . . . . . . 13 K CB . 16856 1
131 . 1 1 13 13 LYS CG C 13 24.847 0.092 . . . . . . 13 K CG . 16856 1
132 . 1 1 13 13 LYS N N 15 121.855 0.063 . . . . . . 13 K N . 16856 1
133 . 1 1 14 14 VAL H H 1 8.489 0.001 . . . . . . 14 V H . 16856 1
134 . 1 1 14 14 VAL HA H 1 3.420 0.009 . . . . . . 14 V HA . 16856 1
135 . 1 1 14 14 VAL HB H 1 2.007 0.003 . . . . . . 14 V HB . 16856 1
136 . 1 1 14 14 VAL HG11 H 1 0.820 0.005 . . . . . . 14 V HG11 . 16856 1
137 . 1 1 14 14 VAL HG12 H 1 0.820 0.005 . . . . . . 14 V HG12 . 16856 1
138 . 1 1 14 14 VAL HG13 H 1 0.820 0.005 . . . . . . 14 V HG13 . 16856 1
139 . 1 1 14 14 VAL HG21 H 1 1.020 0.005 . . . . . . 14 V HG21 . 16856 1
140 . 1 1 14 14 VAL HG22 H 1 1.020 0.005 . . . . . . 14 V HG22 . 16856 1
141 . 1 1 14 14 VAL HG23 H 1 1.020 0.005 . . . . . . 14 V HG23 . 16856 1
142 . 1 1 14 14 VAL C C 13 177.000 0.015 . . . . . . 14 V C . 16856 1
143 . 1 1 14 14 VAL CA C 13 67.207 0.084 . . . . . . 14 V CA . 16856 1
144 . 1 1 14 14 VAL CB C 13 31.893 0.078 . . . . . . 14 V CB . 16856 1
145 . 1 1 14 14 VAL CG1 C 13 21.000 0.015 . . . . . . 14 V CG1 . 16856 1
146 . 1 1 14 14 VAL CG2 C 13 24.500 0.015 . . . . . . 14 V CG2 . 16856 1
147 . 1 1 14 14 VAL N N 15 119.300 0.018 . . . . . . 14 V N . 16856 1
148 . 1 1 15 15 ARG H H 1 8.927 0.002 . . . . . . 15 R H . 16856 1
149 . 1 1 15 15 ARG HA H 1 3.479 0.005 . . . . . . 15 R HA . 16856 1
150 . 1 1 15 15 ARG HB2 H 1 1.610 0.005 . . . . . . 15 R HB2 . 16856 1
151 . 1 1 15 15 ARG HB3 H 1 0.810 0.005 . . . . . . 15 R HB3 . 16856 1
152 . 1 1 15 15 ARG HD2 H 1 2.750 0.005 . . . . . . 15 R HD2 . 16856 1
153 . 1 1 15 15 ARG HD3 H 1 2.750 0.005 . . . . . . 15 R HD3 . 16856 1
154 . 1 1 15 15 ARG HE H 1 7.396 0.001 . . . . . . 15 R HE . 16856 1
155 . 1 1 15 15 ARG HG2 H 1 1.310 0.005 . . . . . . 15 R HG2 . 16856 1
156 . 1 1 15 15 ARG HG3 H 1 1.310 0.005 . . . . . . 15 R HG3 . 16856 1
157 . 1 1 15 15 ARG C C 13 177.600 0.015 . . . . . . 15 R C . 16856 1
158 . 1 1 15 15 ARG CA C 13 60.309 0.104 . . . . . . 15 R CA . 16856 1
159 . 1 1 15 15 ARG CB C 13 29.949 0.088 . . . . . . 15 R CB . 16856 1
160 . 1 1 15 15 ARG CD C 13 43.583 0.040 . . . . . . 15 R CD . 16856 1
161 . 1 1 15 15 ARG CG C 13 26.200 0.015 . . . . . . 15 R CG . 16856 1
162 . 1 1 15 15 ARG N N 15 118.800 0.021 . . . . . . 15 R N . 16856 1
163 . 1 1 15 15 ARG NE N 15 107.426 0.062 . . . . . . 15 R NE . 16856 1
164 . 1 1 16 16 SER H H 1 7.686 0.001 . . . . . . 16 S H . 16856 1
165 . 1 1 16 16 SER HA H 1 4.121 0.005 . . . . . . 16 S HA . 16856 1
166 . 1 1 16 16 SER HB2 H 1 3.940 0.005 . . . . . . 16 S HB2 . 16856 1
167 . 1 1 16 16 SER HB3 H 1 3.940 0.005 . . . . . . 16 S HB3 . 16856 1
168 . 1 1 16 16 SER C C 13 176.500 0.015 . . . . . . 16 S C . 16856 1
169 . 1 1 16 16 SER CA C 13 62.549 0.036 . . . . . . 16 S CA . 16856 1
170 . 1 1 16 16 SER CB C 13 63.000 0.015 . . . . . . 16 S CB . 16856 1
171 . 1 1 16 16 SER N N 15 114.748 0.041 . . . . . . 16 S N . 16856 1
172 . 1 1 17 17 ILE H H 1 7.746 0.001 . . . . . . 17 I H . 16856 1
173 . 1 1 17 17 ILE HA H 1 3.759 0.005 . . . . . . 17 I HA . 16856 1
174 . 1 1 17 17 ILE HB H 1 1.836 0.008 . . . . . . 17 I HB . 16856 1
175 . 1 1 17 17 ILE HD11 H 1 0.651 0.001 . . . . . . 17 I QD1 . 16856 1
176 . 1 1 17 17 ILE HD12 H 1 0.651 0.001 . . . . . . 17 I QD1 . 16856 1
177 . 1 1 17 17 ILE HD13 H 1 0.651 0.001 . . . . . . 17 I QD1 . 16856 1
178 . 1 1 17 17 ILE HG12 H 1 1.790 0.005 . . . . . . 17 I HG12 . 16856 1
179 . 1 1 17 17 ILE HG13 H 1 1.040 0.005 . . . . . . 17 I HG13 . 16856 1
180 . 1 1 17 17 ILE HG21 H 1 0.834 0.013 . . . . . . 17 I QG2 . 16856 1
181 . 1 1 17 17 ILE HG22 H 1 0.834 0.013 . . . . . . 17 I QG2 . 16856 1
182 . 1 1 17 17 ILE HG23 H 1 0.834 0.013 . . . . . . 17 I QG2 . 16856 1
183 . 1 1 17 17 ILE C C 13 178.400 0.015 . . . . . . 17 I C . 16856 1
184 . 1 1 17 17 ILE CA C 13 65.322 0.092 . . . . . . 17 I CA . 16856 1
185 . 1 1 17 17 ILE CB C 13 38.530 0.077 . . . . . . 17 I CB . 16856 1
186 . 1 1 17 17 ILE CD1 C 13 14.376 0.074 . . . . . . 17 I CD1 . 16856 1
187 . 1 1 17 17 ILE CG1 C 13 29.363 0.027 . . . . . . 17 I CG1 . 16856 1
188 . 1 1 17 17 ILE CG2 C 13 18.091 0.091 . . . . . . 17 I CG2 . 16856 1
189 . 1 1 17 17 ILE N N 15 122.821 0.012 . . . . . . 17 I N . 16856 1
190 . 1 1 18 18 ILE H H 1 8.331 0.002 . . . . . . 18 I H . 16856 1
191 . 1 1 18 18 ILE HA H 1 3.598 0.009 . . . . . . 18 I HA . 16856 1
192 . 1 1 18 18 ILE HB H 1 1.737 0.014 . . . . . . 18 I HB . 16856 1
193 . 1 1 18 18 ILE HD11 H 1 0.798 0.005 . . . . . . 18 I QD1 . 16856 1
194 . 1 1 18 18 ILE HD12 H 1 0.798 0.005 . . . . . . 18 I QD1 . 16856 1
195 . 1 1 18 18 ILE HD13 H 1 0.798 0.005 . . . . . . 18 I QD1 . 16856 1
196 . 1 1 18 18 ILE HG12 H 1 2.030 0.005 . . . . . . 18 I HG12 . 16856 1
197 . 1 1 18 18 ILE HG13 H 1 1.070 0.005 . . . . . . 18 I HG13 . 16856 1
198 . 1 1 18 18 ILE HG21 H 1 0.830 0.005 . . . . . . 18 I HG21 . 16856 1
199 . 1 1 18 18 ILE HG22 H 1 0.830 0.005 . . . . . . 18 I HG22 . 16856 1
200 . 1 1 18 18 ILE HG23 H 1 0.830 0.005 . . . . . . 18 I HG23 . 16856 1
201 . 1 1 18 18 ILE C C 13 177.000 0.015 . . . . . . 18 I C . 16856 1
202 . 1 1 18 18 ILE CA C 13 65.757 0.073 . . . . . . 18 I CA . 16856 1
203 . 1 1 18 18 ILE CB C 13 38.184 0.080 . . . . . . 18 I CB . 16856 1
204 . 1 1 18 18 ILE CD1 C 13 16.240 0.019 . . . . . . 18 I CD1 . 16856 1
205 . 1 1 18 18 ILE CG1 C 13 29.716 0.078 . . . . . . 18 I CG1 . 16856 1
206 . 1 1 18 18 ILE CG2 C 13 18.500 0.015 . . . . . . 18 I CG2 . 16856 1
207 . 1 1 18 18 ILE N N 15 119.295 0.029 . . . . . . 18 I N . 16856 1
208 . 1 1 19 19 SER H H 1 8.370 0.001 . . . . . . 19 S H . 16856 1
209 . 1 1 19 19 SER HA H 1 4.040 0.005 . . . . . . 19 S HA . 16856 1
210 . 1 1 19 19 SER HB2 H 1 3.930 0.005 . . . . . . 19 S HB2 . 16856 1
211 . 1 1 19 19 SER HB3 H 1 3.880 0.005 . . . . . . 19 S HB3 . 16856 1
212 . 1 1 19 19 SER C C 13 177.200 0.015 . . . . . . 19 S C . 16856 1
213 . 1 1 19 19 SER CA C 13 61.500 0.015 . . . . . . 19 S CA . 16856 1
214 . 1 1 19 19 SER CB C 13 63.300 0.015 . . . . . . 19 S CB . 16856 1
215 . 1 1 19 19 SER N N 15 113.778 0.019 . . . . . . 19 S N . 16856 1
216 . 1 1 20 20 GLU H H 1 7.641 0.003 . . . . . . 20 E H . 16856 1
217 . 1 1 20 20 GLU HA H 1 4.030 0.005 . . . . . . 20 E HA . 16856 1
218 . 1 1 20 20 GLU HB2 H 1 2.130 0.005 . . . . . . 20 E HB2 . 16856 1
219 . 1 1 20 20 GLU HB3 H 1 2.080 0.005 . . . . . . 20 E HB3 . 16856 1
220 . 1 1 20 20 GLU HG2 H 1 2.260 0.005 . . . . . . 20 E HG2 . 16856 1
221 . 1 1 20 20 GLU HG3 H 1 2.210 0.005 . . . . . . 20 E HG3 . 16856 1
222 . 1 1 20 20 GLU C C 13 178.700 0.015 . . . . . . 20 E C . 16856 1
223 . 1 1 20 20 GLU CA C 13 58.900 0.015 . . . . . . 20 E CA . 16856 1
224 . 1 1 20 20 GLU CB C 13 29.641 0.091 . . . . . . 20 E CB . 16856 1
225 . 1 1 20 20 GLU CG C 13 32.848 0.035 . . . . . . 20 E CG . 16856 1
226 . 1 1 20 20 GLU N N 15 118.495 0.030 . . . . . . 20 E N . 16856 1
227 . 1 1 21 21 GLN H H 1 8.275 0.002 . . . . . . 21 Q H . 16856 1
228 . 1 1 21 21 GLN HA H 1 4.015 0.005 . . . . . . 21 Q HA . 16856 1
229 . 1 1 21 21 GLN HB2 H 1 2.090 0.005 . . . . . . 21 Q HB2 . 16856 1
230 . 1 1 21 21 GLN HB3 H 1 2.020 0.005 . . . . . . 21 Q HB3 . 16856 1
231 . 1 1 21 21 GLN HE21 H 1 7.640 0.005 . . . . . . 21 Q HE21 . 16856 1
232 . 1 1 21 21 GLN HE22 H 1 6.740 0.005 . . . . . . 21 Q HE22 . 16856 1
233 . 1 1 21 21 GLN HG2 H 1 2.260 0.005 . . . . . . 21 Q HG2 . 16856 1
234 . 1 1 21 21 GLN HG3 H 1 2.220 0.005 . . . . . . 21 Q HG3 . 16856 1
235 . 1 1 21 21 GLN C C 13 177.900 0.015 . . . . . . 21 Q C . 16856 1
236 . 1 1 21 21 GLN CA C 13 58.242 0.072 . . . . . . 21 Q CA . 16856 1
237 . 1 1 21 21 GLN CB C 13 28.687 0.025 . . . . . . 21 Q CB . 16856 1
238 . 1 1 21 21 GLN CG C 13 32.112 0.086 . . . . . . 21 Q CG . 16856 1
239 . 1 1 21 21 GLN N N 15 119.047 0.066 . . . . . . 21 Q N . 16856 1
240 . 1 1 21 21 GLN NE2 N 15 108.821 0.030 . . . . . . 21 Q NE2 . 16856 1
241 . 1 1 22 22 LEU H H 1 8.297 0.002 . . . . . . 22 L H . 16856 1
242 . 1 1 22 22 LEU HA H 1 4.454 0.006 . . . . . . 22 L HA . 16856 1
243 . 1 1 22 22 LEU HB2 H 1 1.700 0.005 . . . . . . 22 L HB2 . 16856 1
244 . 1 1 22 22 LEU HB3 H 1 1.560 0.005 . . . . . . 22 L HB3 . 16856 1
245 . 1 1 22 22 LEU HD11 H 1 0.790 0.005 . . . . . . 22 L HD11 . 16856 1
246 . 1 1 22 22 LEU HD12 H 1 0.790 0.005 . . . . . . 22 L HD12 . 16856 1
247 . 1 1 22 22 LEU HD13 H 1 0.790 0.005 . . . . . . 22 L HD13 . 16856 1
248 . 1 1 22 22 LEU HD21 H 1 0.870 0.005 . . . . . . 22 L HD21 . 16856 1
249 . 1 1 22 22 LEU HD22 H 1 0.870 0.005 . . . . . . 22 L HD22 . 16856 1
250 . 1 1 22 22 LEU HD23 H 1 0.870 0.005 . . . . . . 22 L HD23 . 16856 1
251 . 1 1 22 22 LEU HG H 1 1.712 0.022 . . . . . . 22 L HG . 16856 1
252 . 1 1 22 22 LEU C C 13 176.200 0.015 . . . . . . 22 L C . 16856 1
253 . 1 1 22 22 LEU CA C 13 53.723 0.003 . . . . . . 22 L CA . 16856 1
254 . 1 1 22 22 LEU CB C 13 41.625 0.078 . . . . . . 22 L CB . 16856 1
255 . 1 1 22 22 LEU CD1 C 13 22.300 0.015 . . . . . . 22 L CD1 . 16856 1
256 . 1 1 22 22 LEU CD2 C 13 27.300 0.015 . . . . . . 22 L CD2 . 16856 1
257 . 1 1 22 22 LEU CG C 13 26.891 0.015 . . . . . . 22 L CG . 16856 1
258 . 1 1 22 22 LEU N N 15 113.670 0.050 . . . . . . 22 L N . 16856 1
259 . 1 1 23 23 ASP H H 1 7.633 0.001 . . . . . . 23 D H . 16856 1
260 . 1 1 23 23 ASP HA H 1 4.320 0.002 . . . . . . 23 D HA . 16856 1
261 . 1 1 23 23 ASP HB2 H 1 3.120 0.005 . . . . . . 23 D HB2 . 16856 1
262 . 1 1 23 23 ASP HB3 H 1 2.420 0.005 . . . . . . 23 D HB3 . 16856 1
263 . 1 1 23 23 ASP C C 13 174.500 0.015 . . . . . . 23 D C . 16856 1
264 . 1 1 23 23 ASP CA C 13 54.952 0.017 . . . . . . 23 D CA . 16856 1
265 . 1 1 23 23 ASP CB C 13 38.736 0.091 . . . . . . 23 D CB . 16856 1
266 . 1 1 23 23 ASP N N 15 119.901 0.040 . . . . . . 23 D N . 16856 1
267 . 1 1 24 24 LYS H H 1 7.878 0.004 . . . . . . 24 K H . 16856 1
268 . 1 1 24 24 LYS HA H 1 4.659 0.005 . . . . . . 24 K HA . 16856 1
269 . 1 1 24 24 LYS HB2 H 1 1.640 0.005 . . . . . . 24 K HB2 . 16856 1
270 . 1 1 24 24 LYS HB3 H 1 1.340 0.005 . . . . . . 24 K HB3 . 16856 1
271 . 1 1 24 24 LYS HE2 H 1 2.940 0.005 . . . . . . 24 K HE2 . 16856 1
272 . 1 1 24 24 LYS HE3 H 1 2.940 0.005 . . . . . . 24 K HE3 . 16856 1
273 . 1 1 24 24 LYS HG2 H 1 1.250 0.005 . . . . . . 24 K HG2 . 16856 1
274 . 1 1 24 24 LYS HG3 H 1 1.250 0.005 . . . . . . 24 K HG3 . 16856 1
275 . 1 1 24 24 LYS C C 13 175.600 0.015 . . . . . . 24 K C . 16856 1
276 . 1 1 24 24 LYS CA C 13 52.771 0.015 . . . . . . 24 K CA . 16856 1
277 . 1 1 24 24 LYS CB C 13 35.946 0.074 . . . . . . 24 K CB . 16856 1
278 . 1 1 24 24 LYS CE C 13 41.960 0.015 . . . . . . 24 K CE . 16856 1
279 . 1 1 24 24 LYS CG C 13 25.000 0.015 . . . . . . 24 K CG . 16856 1
280 . 1 1 24 24 LYS N N 15 117.793 0.078 . . . . . . 24 K N . 16856 1
281 . 1 1 25 25 LYS H H 1 8.827 0.002 . . . . . . 25 K H . 16856 1
282 . 1 1 25 25 LYS HA H 1 4.102 0.006 . . . . . . 25 K HA . 16856 1
283 . 1 1 25 25 LYS HB2 H 1 1.860 0.005 . . . . . . 25 K HB2 . 16856 1
284 . 1 1 25 25 LYS HB3 H 1 1.640 0.005 . . . . . . 25 K HB3 . 16856 1
285 . 1 1 25 25 LYS HD2 H 1 1.650 0.005 . . . . . . 25 K HD2 . 16856 1
286 . 1 1 25 25 LYS HD3 H 1 1.600 0.005 . . . . . . 25 K HD3 . 16856 1
287 . 1 1 25 25 LYS HE2 H 1 2.960 0.005 . . . . . . 25 K HE2 . 16856 1
288 . 1 1 25 25 LYS HE3 H 1 2.960 0.005 . . . . . . 25 K HE3 . 16856 1
289 . 1 1 25 25 LYS HG2 H 1 1.510 0.005 . . . . . . 25 K HG2 . 16856 1
290 . 1 1 25 25 LYS HG3 H 1 1.450 0.005 . . . . . . 25 K HG3 . 16856 1
291 . 1 1 25 25 LYS C C 13 178.200 0.015 . . . . . . 25 K C . 16856 1
292 . 1 1 25 25 LYS CA C 13 56.619 0.093 . . . . . . 25 K CA . 16856 1
293 . 1 1 25 25 LYS CB C 13 32.414 0.059 . . . . . . 25 K CB . 16856 1
294 . 1 1 25 25 LYS CD C 13 28.440 0.117 . . . . . . 25 K CD . 16856 1
295 . 1 1 25 25 LYS CE C 13 41.997 0.088 . . . . . . 25 K CE . 16856 1
296 . 1 1 25 25 LYS CG C 13 25.242 0.018 . . . . . . 25 K CG . 16856 1
297 . 1 1 25 25 LYS N N 15 124.687 0.023 . . . . . . 25 K N . 16856 1
298 . 1 1 26 26 GLU H H 1 8.832 0.001 . . . . . . 26 E H . 16856 1
299 . 1 1 26 26 GLU HA H 1 3.607 0.002 . . . . . . 26 E HA . 16856 1
300 . 1 1 26 26 GLU HB2 H 1 1.930 0.005 . . . . . . 26 E HB2 . 16856 1
301 . 1 1 26 26 GLU HB3 H 1 1.850 0.005 . . . . . . 26 E HB3 . 16856 1
302 . 1 1 26 26 GLU HG2 H 1 2.380 0.005 . . . . . . 26 E HG2 . 16856 1
303 . 1 1 26 26 GLU HG3 H 1 2.040 0.005 . . . . . . 26 E HG3 . 16856 1
304 . 1 1 26 26 GLU C C 13 177.700 0.015 . . . . . . 26 E C . 16856 1
305 . 1 1 26 26 GLU CA C 13 61.091 0.033 . . . . . . 26 E CA . 16856 1
306 . 1 1 26 26 GLU CB C 13 29.550 0.076 . . . . . . 26 E CB . 16856 1
307 . 1 1 26 26 GLU CG C 13 37.279 0.183 . . . . . . 26 E CG . 16856 1
308 . 1 1 26 26 GLU N N 15 123.133 0.043 . . . . . . 26 E N . 16856 1
309 . 1 1 27 27 ASP H H 1 8.075 0.139 . . . . . . 27 D H . 16856 1
310 . 1 1 27 27 ASP HA H 1 4.310 0.005 . . . . . . 27 D HA . 16856 1
311 . 1 1 27 27 ASP HB2 H 1 2.580 0.005 . . . . . . 27 D HB2 . 16856 1
312 . 1 1 27 27 ASP HB3 H 1 2.580 0.005 . . . . . . 27 D HB3 . 16856 1
313 . 1 1 27 27 ASP C C 13 176.900 0.015 . . . . . . 27 D C . 16856 1
314 . 1 1 27 27 ASP CA C 13 55.300 0.015 . . . . . . 27 D CA . 16856 1
315 . 1 1 27 27 ASP CB C 13 39.999 0.060 . . . . . . 27 D CB . 16856 1
316 . 1 1 27 27 ASP N N 15 113.102 2.274 . . . . . . 27 D N . 16856 1
317 . 1 1 28 28 GLU H H 1 7.582 0.003 . . . . . . 28 E H . 16856 1
318 . 1 1 28 28 GLU HA H 1 4.209 0.004 . . . . . . 28 E HA . 16856 1
319 . 1 1 28 28 GLU HB2 H 1 2.130 0.005 . . . . . . 28 E HB2 . 16856 1
320 . 1 1 28 28 GLU HB3 H 1 2.030 0.005 . . . . . . 28 E HB3 . 16856 1
321 . 1 1 28 28 GLU HG2 H 1 2.160 0.005 . . . . . . 28 E HG2 . 16856 1
322 . 1 1 28 28 GLU HG3 H 1 2.220 0.005 . . . . . . 28 E HG3 . 16856 1
323 . 1 1 28 28 GLU C C 13 175.200 0.015 . . . . . . 28 E C . 16856 1
324 . 1 1 28 28 GLU CA C 13 55.865 0.076 . . . . . . 28 E CA . 16856 1
325 . 1 1 28 28 GLU CB C 13 30.249 0.043 . . . . . . 28 E CB . 16856 1
326 . 1 1 28 28 GLU CG C 13 37.012 0.015 . . . . . . 28 E CG . 16856 1
327 . 1 1 28 28 GLU N N 15 116.563 0.077 . . . . . . 28 E N . 16856 1
328 . 1 1 29 29 ILE H H 1 7.528 0.004 . . . . . . 29 I H . 16856 1
329 . 1 1 29 29 ILE HA H 1 4.117 0.002 . . . . . . 29 I HA . 16856 1
330 . 1 1 29 29 ILE HB H 1 1.836 0.005 . . . . . . 29 I HB . 16856 1
331 . 1 1 29 29 ILE HD11 H 1 0.650 0.005 . . . . . . 29 I HD11 . 16856 1
332 . 1 1 29 29 ILE HD12 H 1 0.650 0.005 . . . . . . 29 I HD12 . 16856 1
333 . 1 1 29 29 ILE HD13 H 1 0.650 0.005 . . . . . . 29 I HD13 . 16856 1
334 . 1 1 29 29 ILE HG12 H 1 1.570 0.005 . . . . . . 29 I HG12 . 16856 1
335 . 1 1 29 29 ILE HG13 H 1 0.730 0.005 . . . . . . 29 I HG13 . 16856 1
336 . 1 1 29 29 ILE HG21 H 1 0.797 0.009 . . . . . . 29 I QG2 . 16856 1
337 . 1 1 29 29 ILE HG22 H 1 0.797 0.009 . . . . . . 29 I QG2 . 16856 1
338 . 1 1 29 29 ILE HG23 H 1 0.797 0.009 . . . . . . 29 I QG2 . 16856 1
339 . 1 1 29 29 ILE C C 13 174.200 0.015 . . . . . . 29 I C . 16856 1
340 . 1 1 29 29 ILE CA C 13 60.954 0.068 . . . . . . 29 I CA . 16856 1
341 . 1 1 29 29 ILE CB C 13 38.740 0.015 . . . . . . 29 I CB . 16856 1
342 . 1 1 29 29 ILE CD1 C 13 14.500 0.015 . . . . . . 29 I CD1 . 16856 1
343 . 1 1 29 29 ILE CG1 C 13 27.011 0.054 . . . . . . 29 I CG1 . 16856 1
344 . 1 1 29 29 ILE CG2 C 13 18.403 0.088 . . . . . . 29 I CG2 . 16856 1
345 . 1 1 29 29 ILE N N 15 120.858 0.067 . . . . . . 29 I N . 16856 1
346 . 1 1 30 30 THR H H 1 8.934 0.013 . . . . . . 30 T H . 16856 1
347 . 1 1 30 30 THR HA H 1 5.013 0.011 . . . . . . 30 T HA . 16856 1
348 . 1 1 30 30 THR HB H 1 4.539 0.015 . . . . . . 30 T HB . 16856 1
349 . 1 1 30 30 THR HG21 H 1 1.070 0.005 . . . . . . 30 T HG21 . 16856 1
350 . 1 1 30 30 THR HG22 H 1 1.070 0.005 . . . . . . 30 T HG22 . 16856 1
351 . 1 1 30 30 THR HG23 H 1 1.070 0.005 . . . . . . 30 T HG23 . 16856 1
352 . 1 1 30 30 THR C C 13 176.000 0.015 . . . . . . 30 T C . 16856 1
353 . 1 1 30 30 THR CA C 13 59.309 0.083 . . . . . . 30 T CA . 16856 1
354 . 1 1 30 30 THR CB C 13 72.377 0.072 . . . . . . 30 T CB . 16856 1
355 . 1 1 30 30 THR CG2 C 13 20.755 0.063 . . . . . . 30 T CG2 . 16856 1
356 . 1 1 30 30 THR N N 15 117.470 0.035 . . . . . . 30 T N . 16856 1
357 . 1 1 31 31 THR H H 1 8.659 0.001 . . . . . . 31 T H . 16856 1
358 . 1 1 31 31 THR HA H 1 3.578 0.005 . . . . . . 31 T HA . 16856 1
359 . 1 1 31 31 THR HB H 1 3.968 0.015 . . . . . . 31 T HB . 16856 1
360 . 1 1 31 31 THR HG21 H 1 0.750 0.005 . . . . . . 31 T HG21 . 16856 1
361 . 1 1 31 31 THR HG22 H 1 0.750 0.005 . . . . . . 31 T HG22 . 16856 1
362 . 1 1 31 31 THR HG23 H 1 0.750 0.005 . . . . . . 31 T HG22 . 16856 1
363 . 1 1 31 31 THR C C 13 175.200 0.015 . . . . . . 31 T C . 16856 1
364 . 1 1 31 31 THR CA C 13 65.210 0.015 . . . . . . 31 T CA . 16856 1
365 . 1 1 31 31 THR CB C 13 67.957 0.089 . . . . . . 31 T CB . 16856 1
366 . 1 1 31 31 THR CG2 C 13 22.189 0.057 . . . . . . 31 T CG2 . 16856 1
367 . 1 1 31 31 THR N N 15 111.466 0.113 . . . . . . 31 T N . 16856 1
368 . 1 1 32 32 ASP H H 1 7.685 0.002 . . . . . . 32 D H . 16856 1
369 . 1 1 32 32 ASP HA H 1 4.634 0.013 . . . . . . 32 D HA . 16856 1
370 . 1 1 32 32 ASP HB2 H 1 2.720 0.005 . . . . . . 32 D HB2 . 16856 1
371 . 1 1 32 32 ASP HB3 H 1 2.300 0.005 . . . . . . 32 D HB3 . 16856 1
372 . 1 1 32 32 ASP C C 13 176.000 0.015 . . . . . . 32 D C . 16856 1
373 . 1 1 32 32 ASP CA C 13 54.324 0.138 . . . . . . 32 D CA . 16856 1
374 . 1 1 32 32 ASP CB C 13 41.698 0.059 . . . . . . 32 D CB . 16856 1
375 . 1 1 32 32 ASP N N 15 117.536 0.029 . . . . . . 32 D N . 16856 1
376 . 1 1 33 33 SER H H 1 7.594 0.004 . . . . . . 33 S H . 16856 1
377 . 1 1 33 33 SER HA H 1 4.120 0.005 . . . . . . 33 S HA . 16856 1
378 . 1 1 33 33 SER HB2 H 1 3.920 0.005 . . . . . . 33 S HB2 . 16856 1
379 . 1 1 33 33 SER HB3 H 1 3.890 0.005 . . . . . . 33 S HB3 . 16856 1
380 . 1 1 33 33 SER C C 13 173.000 0.015 . . . . . . 33 S C . 16856 1
381 . 1 1 33 33 SER CA C 13 61.100 0.015 . . . . . . 33 S CA . 16856 1
382 . 1 1 33 33 SER CB C 13 62.900 0.015 . . . . . . 33 S CB . 16856 1
383 . 1 1 33 33 SER N N 15 117.992 0.039 . . . . . . 33 S N . 16856 1
384 . 1 1 34 34 ARG H H 1 10.535 0.002 . . . . . . 34 R H . 16856 1
385 . 1 1 34 34 ARG HA H 1 4.650 0.005 . . . . . . 34 R HA . 16856 1
386 . 1 1 34 34 ARG HB2 H 1 2.270 0.005 . . . . . . 34 R HB2 . 16856 1
387 . 1 1 34 34 ARG HB3 H 1 1.800 0.005 . . . . . . 34 R HB3 . 16856 1
388 . 1 1 34 34 ARG HD2 H 1 3.180 0.005 . . . . . . 34 R HD2 . 16856 1
389 . 1 1 34 34 ARG HD3 H 1 3.180 0.005 . . . . . . 34 R HD3 . 16856 1
390 . 1 1 34 34 ARG HE H 1 7.548 0.001 . . . . . . 34 R HE . 16856 1
391 . 1 1 34 34 ARG HG2 H 1 1.900 0.005 . . . . . . 34 R HG2 . 16856 1
392 . 1 1 34 34 ARG HG3 H 1 1.640 0.005 . . . . . . 34 R HG3 . 16856 1
393 . 1 1 34 34 ARG C C 13 178.400 0.015 . . . . . . 34 R C . 16856 1
394 . 1 1 34 34 ARG CA C 13 54.900 0.015 . . . . . . 34 R CA . 16856 1
395 . 1 1 34 34 ARG CB C 13 30.702 0.015 . . . . . . 34 R CB . 16856 1
396 . 1 1 34 34 ARG CD C 13 42.943 0.077 . . . . . . 34 R CD . 16856 1
397 . 1 1 34 34 ARG CG C 13 26.994 0.093 . . . . . . 34 R CG . 16856 1
398 . 1 1 34 34 ARG N N 15 126.694 0.017 . . . . . . 34 R N . 16856 1
399 . 1 1 34 34 ARG NE N 15 108.636 0.027 . . . . . . 34 R NE . 16856 1
400 . 1 1 35 35 PHE H H 1 7.887 0.001 . . . . . . 35 F H . 16856 1
401 . 1 1 35 35 PHE HA H 1 3.914 0.008 . . . . . . 35 F HA . 16856 1
402 . 1 1 35 35 PHE HB2 H 1 2.970 0.005 . . . . . . 35 F HB2 . 16856 1
403 . 1 1 35 35 PHE HB3 H 1 2.960 0.005 . . . . . . 35 F HB3 . 16856 1
404 . 1 1 35 35 PHE HD1 H 1 6.790 0.005 . . . . . . 35 F HD1 . 16856 1
405 . 1 1 35 35 PHE HD2 H 1 6.790 0.005 . . . . . . 35 F HD2 . 16856 1
406 . 1 1 35 35 PHE HE1 H 1 6.880 0.005 . . . . . . 35 F HE1 . 16856 1
407 . 1 1 35 35 PHE HE2 H 1 6.880 0.005 . . . . . . 35 F HE2 . 16856 1
408 . 1 1 35 35 PHE HZ H 1 6.935 0.005 . . . . . . 35 F HZ . 16856 1
409 . 1 1 35 35 PHE C C 13 175.600 0.015 . . . . . . 35 F C . 16856 1
410 . 1 1 35 35 PHE CA C 13 63.288 0.101 . . . . . . 35 F CA . 16856 1
411 . 1 1 35 35 PHE CB C 13 38.673 0.038 . . . . . . 35 F CB . 16856 1
412 . 1 1 35 35 PHE N N 15 123.222 0.071 . . . . . . 35 F N . 16856 1
413 . 1 1 36 36 VAL H H 1 8.766 0.001 . . . . . . 36 V H . 16856 1
414 . 1 1 36 36 VAL HA H 1 4.021 0.002 . . . . . . 36 V HA . 16856 1
415 . 1 1 36 36 VAL HB H 1 2.079 0.001 . . . . . . 36 V HB . 16856 1
416 . 1 1 36 36 VAL HG11 H 1 1.060 0.005 . . . . . . 36 V HG11 . 16856 1
417 . 1 1 36 36 VAL HG12 H 1 1.060 0.005 . . . . . . 36 V HG12 . 16856 1
418 . 1 1 36 36 VAL HG13 H 1 1.060 0.005 . . . . . . 36 V HG13 . 16856 1
419 . 1 1 36 36 VAL HG21 H 1 0.850 0.005 . . . . . . 36 V HG21 . 16856 1
420 . 1 1 36 36 VAL HG22 H 1 0.850 0.005 . . . . . . 36 V HG22 . 16856 1
421 . 1 1 36 36 VAL HG23 H 1 0.850 0.005 . . . . . . 36 V HG23 . 16856 1
422 . 1 1 36 36 VAL C C 13 179.700 0.015 . . . . . . 36 V C . 16856 1
423 . 1 1 36 36 VAL CA C 13 66.187 0.069 . . . . . . 36 V CA . 16856 1
424 . 1 1 36 36 VAL CB C 13 31.166 0.029 . . . . . . 36 V CB . 16856 1
425 . 1 1 36 36 VAL CG1 C 13 21.500 0.015 . . . . . . 36 V CG1 . 16856 1
426 . 1 1 36 36 VAL CG2 C 13 20.300 0.015 . . . . . . 36 V CG2 . 16856 1
427 . 1 1 36 36 VAL N N 15 117.274 0.080 . . . . . . 36 V N . 16856 1
428 . 1 1 37 37 GLU H H 1 9.110 0.001 . . . . . . 37 E H . 16856 1
429 . 1 1 37 37 GLU HA H 1 3.862 0.003 . . . . . . 37 E HA . 16856 1
430 . 1 1 37 37 GLU HB2 H 1 1.870 0.005 . . . . . . 37 E HB2 . 16856 1
431 . 1 1 37 37 GLU HB3 H 1 1.780 0.005 . . . . . . 37 E HB3 . 16856 1
432 . 1 1 37 37 GLU HG2 H 1 2.550 0.005 . . . . . . 37 E HG2 . 16856 1
433 . 1 1 37 37 GLU HG3 H 1 2.260 0.005 . . . . . . 37 E HG3 . 16856 1
434 . 1 1 37 37 GLU C C 13 177.500 0.015 . . . . . . 37 E C . 16856 1
435 . 1 1 37 37 GLU CA C 13 62.030 0.107 . . . . . . 37 E CA . 16856 1
436 . 1 1 37 37 GLU CB C 13 29.400 0.015 . . . . . . 37 E CB . 16856 1
437 . 1 1 37 37 GLU CG C 13 38.046 0.063 . . . . . . 37 E CG . 16856 1
438 . 1 1 37 37 GLU N N 15 116.717 0.016 . . . . . . 37 E N . 16856 1
439 . 1 1 38 38 ASP H H 1 7.558 0.003 . . . . . . 38 D H . 16856 1
440 . 1 1 38 38 ASP HA H 1 5.038 0.005 . . . . . . 38 D HA . 16856 1
441 . 1 1 38 38 ASP HB2 H 1 3.090 0.005 . . . . . . 38 D HB2 . 16856 1
442 . 1 1 38 38 ASP HB3 H 1 2.850 0.005 . . . . . . 38 D HB3 . 16856 1
443 . 1 1 38 38 ASP C C 13 177.000 0.015 . . . . . . 38 D C . 16856 1
444 . 1 1 38 38 ASP CA C 13 56.023 0.015 . . . . . . 38 D CA . 16856 1
445 . 1 1 38 38 ASP CB C 13 41.712 0.060 . . . . . . 38 D CB . 16856 1
446 . 1 1 38 38 ASP N N 15 112.018 0.041 . . . . . . 38 D N . 16856 1
447 . 1 1 39 39 LEU H H 1 7.435 0.003 . . . . . . 39 L H . 16856 1
448 . 1 1 39 39 LEU HA H 1 4.310 0.005 . . . . . . 39 L HA . 16856 1
449 . 1 1 39 39 LEU HB2 H 1 2.260 0.005 . . . . . . 39 L HB2 . 16856 1
450 . 1 1 39 39 LEU HB3 H 1 1.470 0.005 . . . . . . 39 L HB3 . 16856 1
451 . 1 1 39 39 LEU HD11 H 1 0.460 0.005 . . . . . . 39 L HD11 . 16856 1
452 . 1 1 39 39 LEU HD12 H 1 0.460 0.005 . . . . . . 39 L HD12 . 16856 1
453 . 1 1 39 39 LEU HD13 H 1 0.460 0.005 . . . . . . 39 L HD13 . 16856 1
454 . 1 1 39 39 LEU HD21 H 1 0.660 0.005 . . . . . . 39 L HD21 . 16856 1
455 . 1 1 39 39 LEU HD22 H 1 0.660 0.005 . . . . . . 39 L HD22 . 16856 1
456 . 1 1 39 39 LEU HD23 H 1 0.660 0.005 . . . . . . 39 L HD23 . 16856 1
457 . 1 1 39 39 LEU HG H 1 1.300 0.005 . . . . . . 39 L HG . 16856 1
458 . 1 1 39 39 LEU C C 13 175.200 0.015 . . . . . . 39 L C . 16856 1
459 . 1 1 39 39 LEU CA C 13 54.400 0.015 . . . . . . 39 L CA . 16856 1
460 . 1 1 39 39 LEU CB C 13 40.830 0.056 . . . . . . 39 L CB . 16856 1
461 . 1 1 39 39 LEU CD1 C 13 23.500 0.015 . . . . . . 39 L CD1 . 16856 1
462 . 1 1 39 39 LEU CD2 C 13 26.300 0.015 . . . . . . 39 L CD2 . 16856 1
463 . 1 1 39 39 LEU CG C 13 26.500 0.015 . . . . . . 39 L CG . 16856 1
464 . 1 1 39 39 LEU N N 15 115.651 0.064 . . . . . . 39 L N . 16856 1
465 . 1 1 40 40 ASN H H 1 7.398 0.003 . . . . . . 40 N H . 16856 1
466 . 1 1 40 40 ASN HA H 1 4.540 0.005 . . . . . . 40 N HA . 16856 1
467 . 1 1 40 40 ASN HB2 H 1 3.070 0.005 . . . . . . 40 N HB2 . 16856 1
468 . 1 1 40 40 ASN HB3 H 1 2.700 0.005 . . . . . . 40 N HB3 . 16856 1
469 . 1 1 40 40 ASN HD21 H 1 7.460 0.005 . . . . . . 40 N HD21 . 16856 1
470 . 1 1 40 40 ASN HD22 H 1 6.720 0.005 . . . . . . 40 N HD22 . 16856 1
471 . 1 1 40 40 ASN C C 13 173.800 0.015 . . . . . . 40 N C . 16856 1
472 . 1 1 40 40 ASN CA C 13 53.937 0.015 . . . . . . 40 N CA . 16856 1
473 . 1 1 40 40 ASN CB C 13 37.500 0.015 . . . . . . 40 N CB . 16856 1
474 . 1 1 40 40 ASN N N 15 114.905 0.075 . . . . . . 40 N N . 16856 1
475 . 1 1 40 40 ASN ND2 N 15 111.348 0.038 . . . . . . 40 N ND2 . 16856 1
476 . 1 1 41 41 ALA H H 1 8.577 0.002 . . . . . . 41 A H . 16856 1
477 . 1 1 41 41 ALA HA H 1 4.700 0.005 . . . . . . 41 A HA . 16856 1
478 . 1 1 41 41 ALA HB1 H 1 1.281 0.005 . . . . . . 41 A QB . 16856 1
479 . 1 1 41 41 ALA HB2 H 1 1.281 0.005 . . . . . . 41 A QB . 16856 1
480 . 1 1 41 41 ALA HB3 H 1 1.281 0.005 . . . . . . 41 A QB . 16856 1
481 . 1 1 41 41 ALA C C 13 177.200 0.015 . . . . . . 41 A C . 16856 1
482 . 1 1 41 41 ALA CA C 13 51.100 0.015 . . . . . . 41 A CA . 16856 1
483 . 1 1 41 41 ALA CB C 13 20.378 0.080 . . . . . . 41 A CB . 16856 1
484 . 1 1 41 41 ALA N N 15 121.214 0.079 . . . . . . 41 A N . 16856 1
485 . 1 1 42 42 ASP H H 1 9.217 0.002 . . . . . . 42 D H . 16856 1
486 . 1 1 42 42 ASP HA H 1 4.820 0.005 . . . . . . 42 D HA . 16856 1
487 . 1 1 42 42 ASP HB2 H 1 3.020 0.005 . . . . . . 42 D HB2 . 16856 1
488 . 1 1 42 42 ASP HB3 H 1 2.670 0.005 . . . . . . 42 D HB3 . 16856 1
489 . 1 1 42 42 ASP C C 13 177.100 0.015 . . . . . . 42 D C . 16856 1
490 . 1 1 42 42 ASP CA C 13 52.100 0.015 . . . . . . 42 D CA . 16856 1
491 . 1 1 42 42 ASP CB C 13 42.572 0.070 . . . . . . 42 D CB . 16856 1
492 . 1 1 42 42 ASP N N 15 123.288 0.030 . . . . . . 42 D N . 16856 1
493 . 1 1 43 43 SER H H 1 8.285 0.003 . . . . . . 43 S H . 16856 1
494 . 1 1 43 43 SER HA H 1 3.910 0.005 . . . . . . 43 S HA . 16856 1
495 . 1 1 43 43 SER HB2 H 1 3.790 0.005 . . . . . . 43 S HB2 . 16856 1
496 . 1 1 43 43 SER HB3 H 1 3.750 0.005 . . . . . . 43 S HB3 . 16856 1
497 . 1 1 43 43 SER C C 13 176.200 0.015 . . . . . . 43 S C . 16856 1
498 . 1 1 43 43 SER CA C 13 62.000 0.015 . . . . . . 43 S CA . 16856 1
499 . 1 1 43 43 SER CB C 13 62.494 0.007 . . . . . . 43 S CB . 16856 1
500 . 1 1 43 43 SER N N 15 113.813 0.095 . . . . . . 43 S N . 16856 1
501 . 1 1 44 44 LEU H H 1 7.843 0.003 . . . . . . 44 L H . 16856 1
502 . 1 1 44 44 LEU HA H 1 4.159 0.003 . . . . . . 44 L HA . 16856 1
503 . 1 1 44 44 LEU HB2 H 1 1.770 0.005 . . . . . . 44 L HB2 . 16856 1
504 . 1 1 44 44 LEU HB3 H 1 1.630 0.005 . . . . . . 44 L HB3 . 16856 1
505 . 1 1 44 44 LEU HD11 H 1 0.820 0.005 . . . . . . 44 L HD11 . 16856 1
506 . 1 1 44 44 LEU HD12 H 1 0.820 0.005 . . . . . . 44 L HD12 . 16856 1
507 . 1 1 44 44 LEU HD13 H 1 0.820 0.005 . . . . . . 44 L HD13 . 16856 1
508 . 1 1 44 44 LEU HD21 H 1 0.940 0.005 . . . . . . 44 L HD21 . 16856 1
509 . 1 1 44 44 LEU HD22 H 1 0.940 0.005 . . . . . . 44 L HD22 . 16856 1
510 . 1 1 44 44 LEU HD23 H 1 0.940 0.005 . . . . . . 44 L HD23 . 16856 1
511 . 1 1 44 44 LEU HG H 1 1.630 0.005 . . . . . . 44 L HG . 16856 1
512 . 1 1 44 44 LEU C C 13 179.500 0.015 . . . . . . 44 L C . 16856 1
513 . 1 1 44 44 LEU CA C 13 57.652 0.015 . . . . . . 44 L CA . 16856 1
514 . 1 1 44 44 LEU CB C 13 40.750 0.062 . . . . . . 44 L CB . 16856 1
515 . 1 1 44 44 LEU CD1 C 13 23.500 0.015 . . . . . . 44 L CD1 . 16856 1
516 . 1 1 44 44 LEU CD2 C 13 24.300 0.015 . . . . . . 44 L CD2 . 16856 1
517 . 1 1 44 44 LEU CG C 13 26.500 0.015 . . . . . . 44 L CG . 16856 1
518 . 1 1 44 44 LEU N N 15 122.324 0.025 . . . . . . 44 L N . 16856 1
519 . 1 1 45 45 ASP H H 1 7.944 0.004 . . . . . . 45 D H . 16856 1
520 . 1 1 45 45 ASP HA H 1 4.349 0.002 . . . . . . 45 D HA . 16856 1
521 . 1 1 45 45 ASP HB2 H 1 3.000 0.005 . . . . . . 45 D HB2 . 16856 1
522 . 1 1 45 45 ASP HB3 H 1 2.480 0.005 . . . . . . 45 D HB3 . 16856 1
523 . 1 1 45 45 ASP C C 13 179.000 0.015 . . . . . . 45 D C . 16856 1
524 . 1 1 45 45 ASP CA C 13 57.304 0.015 . . . . . . 45 D CA . 16856 1
525 . 1 1 45 45 ASP CB C 13 41.100 0.015 . . . . . . 45 D CB . 16856 1
526 . 1 1 45 45 ASP N N 15 120.025 0.075 . . . . . . 45 D N . 16856 1
527 . 1 1 46 46 ILE H H 1 7.852 0.001 . . . . . . 46 I H . 16856 1
528 . 1 1 46 46 ILE HA H 1 3.373 0.015 . . . . . . 46 I HA . 16856 1
529 . 1 1 46 46 ILE HB H 1 1.740 0.005 . . . . . . 46 I HB . 16856 1
530 . 1 1 46 46 ILE HD11 H 1 0.264 0.008 . . . . . . 46 I QD1 . 16856 1
531 . 1 1 46 46 ILE HD12 H 1 0.264 0.008 . . . . . . 46 I QD1 . 16856 1
532 . 1 1 46 46 ILE HD13 H 1 0.264 0.008 . . . . . . 46 I QD1 . 16856 1
533 . 1 1 46 46 ILE HG12 H 1 1.250 0.005 . . . . . . 46 I HG12 . 16856 1
534 . 1 1 46 46 ILE HG13 H 1 0.570 0.005 . . . . . . 46 I HG13 . 16856 1
535 . 1 1 46 46 ILE HG21 H 1 0.518 0.009 . . . . . . 46 I QG2 . 16856 1
536 . 1 1 46 46 ILE HG22 H 1 0.518 0.009 . . . . . . 46 I QG2 . 16856 1
537 . 1 1 46 46 ILE HG23 H 1 0.518 0.009 . . . . . . 46 I QG2 . 16856 1
538 . 1 1 46 46 ILE C C 13 177.000 0.015 . . . . . . 46 I C . 16856 1
539 . 1 1 46 46 ILE CA C 13 64.084 0.073 . . . . . . 46 I CA . 16856 1
540 . 1 1 46 46 ILE CB C 13 36.610 0.097 . . . . . . 46 I CB . 16856 1
541 . 1 1 46 46 ILE CD1 C 13 11.074 0.029 . . . . . . 46 I CD1 . 16856 1
542 . 1 1 46 46 ILE CG1 C 13 28.096 0.081 . . . . . . 46 I CG1 . 16856 1
543 . 1 1 46 46 ILE CG2 C 13 16.867 0.079 . . . . . . 46 I CG2 . 16856 1
544 . 1 1 46 46 ILE N N 15 120.092 0.096 . . . . . . 46 I N . 16856 1
545 . 1 1 47 47 TYR H H 1 7.844 0.002 . . . . . . 47 Y H . 16856 1
546 . 1 1 47 47 TYR HA H 1 4.050 0.005 . . . . . . 47 Y HA . 16856 1
547 . 1 1 47 47 TYR HB2 H 1 3.130 0.005 . . . . . . 47 Y HB2 . 16856 1
548 . 1 1 47 47 TYR HB3 H 1 3.060 0.005 . . . . . . 47 Y HB3 . 16856 1
549 . 1 1 47 47 TYR HD1 H 1 6.720 0.005 . . . . . . 47 Y HD1 . 16856 1
550 . 1 1 47 47 TYR HD2 H 1 6.720 0.005 . . . . . . 47 Y HD2 . 16856 1
551 . 1 1 47 47 TYR HE1 H 1 7.060 0.005 . . . . . . 47 Y HE1 . 16856 1
552 . 1 1 47 47 TYR HE2 H 1 7.060 0.005 . . . . . . 47 Y HE2 . 16856 1
553 . 1 1 47 47 TYR C C 13 178.600 0.015 . . . . . . 47 Y C . 16856 1
554 . 1 1 47 47 TYR CA C 13 61.500 0.015 . . . . . . 47 Y CA . 16856 1
555 . 1 1 47 47 TYR CB C 13 36.785 0.015 . . . . . . 47 Y CB . 16856 1
556 . 1 1 47 47 TYR N N 15 119.475 0.128 . . . . . . 47 Y N . 16856 1
557 . 1 1 48 48 GLU H H 1 7.975 0.005 . . . . . . 48 E H . 16856 1
558 . 1 1 48 48 GLU HA H 1 4.100 0.005 . . . . . . 48 E HA . 16856 1
559 . 1 1 48 48 GLU HB2 H 1 2.120 0.005 . . . . . . 48 E HB2 . 16856 1
560 . 1 1 48 48 GLU HB3 H 1 2.060 0.005 . . . . . . 48 E HB3 . 16856 1
561 . 1 1 48 48 GLU HG2 H 1 2.470 0.005 . . . . . . 48 E HG2 . 16856 1
562 . 1 1 48 48 GLU HG3 H 1 2.340 0.005 . . . . . . 48 E HG3 . 16856 1
563 . 1 1 48 48 GLU C C 13 178.800 0.015 . . . . . . 48 E C . 16856 1
564 . 1 1 48 48 GLU CA C 13 59.195 0.015 . . . . . . 48 E CA . 16856 1
565 . 1 1 48 48 GLU CB C 13 29.151 0.015 . . . . . . 48 E CB . 16856 1
566 . 1 1 48 48 GLU CG C 13 36.162 0.114 . . . . . . 48 E CG . 16856 1
567 . 1 1 48 48 GLU N N 15 124.334 0.015 . . . . . . 48 E N . 16856 1
568 . 1 1 49 49 LEU H H 1 8.106 0.005 . . . . . . 49 L H . 16856 1
569 . 1 1 49 49 LEU HA H 1 4.020 0.005 . . . . . . 49 L HA . 16856 1
570 . 1 1 49 49 LEU HB2 H 1 1.860 0.005 . . . . . . 49 L HB2 . 16856 1
571 . 1 1 49 49 LEU HB3 H 1 1.860 0.005 . . . . . . 49 L HB3 . 16856 1
572 . 1 1 49 49 LEU HG H 1 2.036 0.005 . . . . . . 49 L HG . 16856 1
573 . 1 1 49 49 LEU C C 13 178.400 0.015 . . . . . . 49 L C . 16856 1
574 . 1 1 49 49 LEU CA C 13 57.700 0.015 . . . . . . 49 L CA . 16856 1
575 . 1 1 49 49 LEU CB C 13 41.114 0.012 . . . . . . 49 L CB . 16856 1
576 . 1 1 49 49 LEU CG C 13 27.152 0.015 . . . . . . 49 L CG . 16856 1
577 . 1 1 49 49 LEU N N 15 120.201 0.031 . . . . . . 49 L N . 16856 1
578 . 1 1 50 50 LEU H H 1 8.279 0.001 . . . . . . 50 L H . 16856 1
579 . 1 1 50 50 LEU HA H 1 3.842 0.004 . . . . . . 50 L HA . 16856 1
580 . 1 1 50 50 LEU HB2 H 1 1.850 0.005 . . . . . . 50 L HB2 . 16856 1
581 . 1 1 50 50 LEU HB3 H 1 1.410 0.005 . . . . . . 50 L HB3 . 16856 1
582 . 1 1 50 50 LEU HD11 H 1 0.720 0.005 . . . . . . 50 L HD11 . 16856 1
583 . 1 1 50 50 LEU HD12 H 1 0.720 0.005 . . . . . . 50 L HD12 . 16856 1
584 . 1 1 50 50 LEU HD13 H 1 0.720 0.005 . . . . . . 50 L HD13 . 16856 1
585 . 1 1 50 50 LEU HD21 H 1 0.680 0.005 . . . . . . 50 L HD21 . 16856 1
586 . 1 1 50 50 LEU HD22 H 1 0.680 0.005 . . . . . . 50 L HD22 . 16856 1
587 . 1 1 50 50 LEU HD23 H 1 0.680 0.005 . . . . . . 50 L HD23 . 16856 1
588 . 1 1 50 50 LEU HG H 1 2.006 0.014 . . . . . . 50 L HG . 16856 1
589 . 1 1 50 50 LEU C C 13 179.300 0.015 . . . . . . 50 L C . 16856 1
590 . 1 1 50 50 LEU CA C 13 58.613 0.105 . . . . . . 50 L CA . 16856 1
591 . 1 1 50 50 LEU CB C 13 40.311 0.084 . . . . . . 50 L CB . 16856 1
592 . 1 1 50 50 LEU CD1 C 13 25.800 0.015 . . . . . . 50 L CD1 . 16856 1
593 . 1 1 50 50 LEU CD2 C 13 22.000 0.015 . . . . . . 50 L CD2 . 16856 1
594 . 1 1 50 50 LEU CG C 13 27.168 0.100 . . . . . . 50 L CG . 16856 1
595 . 1 1 50 50 LEU N N 15 117.814 0.090 . . . . . . 50 L N . 16856 1
596 . 1 1 51 51 TYR H H 1 7.514 0.002 . . . . . . 51 Y H . 16856 1
597 . 1 1 51 51 TYR HA H 1 4.381 0.005 . . . . . . 51 Y HA . 16856 1
598 . 1 1 51 51 TYR HB2 H 1 3.150 0.005 . . . . . . 51 Y HB2 . 16856 1
599 . 1 1 51 51 TYR HB3 H 1 3.070 0.005 . . . . . . 51 Y HB3 . 16856 1
600 . 1 1 51 51 TYR HD1 H 1 6.760 0.005 . . . . . . 51 Y HD1 . 16856 1
601 . 1 1 51 51 TYR HD2 H 1 6.760 0.005 . . . . . . 51 Y HD2 . 16856 1
602 . 1 1 51 51 TYR HE1 H 1 7.140 0.005 . . . . . . 51 Y HE1 . 16856 1
603 . 1 1 51 51 TYR HE2 H 1 7.140 0.005 . . . . . . 51 Y HE2 . 16856 1
604 . 1 1 51 51 TYR C C 13 178.600 0.015 . . . . . . 51 Y C . 16856 1
605 . 1 1 51 51 TYR CA C 13 60.983 0.015 . . . . . . 51 Y CA . 16856 1
606 . 1 1 51 51 TYR CB C 13 37.476 0.078 . . . . . . 51 Y CB . 16856 1
607 . 1 1 51 51 TYR N N 15 118.727 0.054 . . . . . . 51 Y N . 16856 1
608 . 1 1 52 52 LEU H H 1 7.860 0.005 . . . . . . 52 L H . 16856 1
609 . 1 1 52 52 LEU HA H 1 4.010 0.005 . . . . . . 52 L HA . 16856 1
610 . 1 1 52 52 LEU HB2 H 1 2.070 0.005 . . . . . . 52 L HB2 . 16856 1
611 . 1 1 52 52 LEU HB3 H 1 1.360 0.005 . . . . . . 52 L HB3 . 16856 1
612 . 1 1 52 52 LEU HD11 H 1 0.870 0.005 . . . . . . 52 L HD11 . 16856 1
613 . 1 1 52 52 LEU HD12 H 1 0.870 0.005 . . . . . . 52 L HD12 . 16856 1
614 . 1 1 52 52 LEU HD13 H 1 0.870 0.005 . . . . . . 52 L HD13 . 16856 1
615 . 1 1 52 52 LEU HD21 H 1 0.900 0.005 . . . . . . 52 L HD21 . 16856 1
616 . 1 1 52 52 LEU HD22 H 1 0.900 0.005 . . . . . . 52 L HD22 . 16856 1
617 . 1 1 52 52 LEU HD23 H 1 0.900 0.005 . . . . . . 52 L HD23 . 16856 1
618 . 1 1 52 52 LEU HG H 1 1.904 0.008 . . . . . . 52 L HG . 16856 1
619 . 1 1 52 52 LEU C C 13 181.300 0.015 . . . . . . 52 L C . 16856 1
620 . 1 1 52 52 LEU CA C 13 57.600 0.015 . . . . . . 52 L CA . 16856 1
621 . 1 1 52 52 LEU CB C 13 41.971 0.032 . . . . . . 52 L CB . 16856 1
622 . 1 1 52 52 LEU CD1 C 13 22.500 0.015 . . . . . . 52 L CD1 . 16856 1
623 . 1 1 52 52 LEU CD2 C 13 25.500 0.015 . . . . . . 52 L CD2 . 16856 1
624 . 1 1 52 52 LEU CG C 13 27.317 0.013 . . . . . . 52 L CG . 16856 1
625 . 1 1 52 52 LEU N N 15 120.200 0.015 . . . . . . 52 L N . 16856 1
626 . 1 1 53 53 LEU H H 1 7.845 0.005 . . . . . . 53 L H . 16856 1
627 . 1 1 53 53 LEU HA H 1 4.168 0.022 . . . . . . 53 L HA . 16856 1
628 . 1 1 53 53 LEU HB2 H 1 2.200 0.005 . . . . . . 53 L HB2 . 16856 1
629 . 1 1 53 53 LEU HB3 H 1 1.360 0.005 . . . . . . 53 L HB3 . 16856 1
630 . 1 1 53 53 LEU HD11 H 1 0.950 0.005 . . . . . . 53 L HD11 . 16856 1
631 . 1 1 53 53 LEU HD12 H 1 0.950 0.005 . . . . . . 53 L HD12 . 16856 1
632 . 1 1 53 53 LEU HD13 H 1 0.950 0.005 . . . . . . 53 L HD13 . 16856 1
633 . 1 1 53 53 LEU HD21 H 1 0.780 0.005 . . . . . . 53 L HD21 . 16856 1
634 . 1 1 53 53 LEU HD22 H 1 0.780 0.005 . . . . . . 53 L HD22 . 16856 1
635 . 1 1 53 53 LEU HD23 H 1 0.780 0.005 . . . . . . 53 L HD23 . 16856 1
636 . 1 1 53 53 LEU HG H 1 2.063 0.002 . . . . . . 53 L HG . 16856 1
637 . 1 1 53 53 LEU C C 13 178.800 0.015 . . . . . . 53 L C . 16856 1
638 . 1 1 53 53 LEU CA C 13 57.943 0.015 . . . . . . 53 L CA . 16856 1
639 . 1 1 53 53 LEU CB C 13 41.906 0.047 . . . . . . 53 L CB . 16856 1
640 . 1 1 53 53 LEU CD1 C 13 26.800 0.015 . . . . . . 53 L CD1 . 16856 1
641 . 1 1 53 53 LEU CD2 C 13 24.300 0.015 . . . . . . 53 L CD2 . 16856 1
642 . 1 1 53 53 LEU CG C 13 26.439 0.029 . . . . . . 53 L CG . 16856 1
643 . 1 1 53 53 LEU N N 15 120.577 0.085 . . . . . . 53 L N . 16856 1
644 . 1 1 54 54 GLU H H 1 8.411 0.001 . . . . . . 54 E H . 16856 1
645 . 1 1 54 54 GLU HA H 1 3.963 0.001 . . . . . . 54 E HA . 16856 1
646 . 1 1 54 54 GLU HB2 H 1 2.300 0.005 . . . . . . 54 E HB2 . 16856 1
647 . 1 1 54 54 GLU HB3 H 1 2.300 0.005 . . . . . . 54 E HB3 . 16856 1
648 . 1 1 54 54 GLU HG2 H 1 2.630 0.005 . . . . . . 54 E HG2 . 16856 1
649 . 1 1 54 54 GLU HG3 H 1 2.210 0.005 . . . . . . 54 E HG3 . 16856 1
650 . 1 1 54 54 GLU C C 13 179.500 0.015 . . . . . . 54 E C . 16856 1
651 . 1 1 54 54 GLU CA C 13 59.942 0.087 . . . . . . 54 E CA . 16856 1
652 . 1 1 54 54 GLU CB C 13 29.435 0.104 . . . . . . 54 E CB . 16856 1
653 . 1 1 54 54 GLU CG C 13 36.990 0.099 . . . . . . 54 E CG . 16856 1
654 . 1 1 54 54 GLU N N 15 121.797 0.031 . . . . . . 54 E N . 16856 1
655 . 1 1 55 55 GLU H H 1 7.541 0.001 . . . . . . 55 E H . 16856 1
656 . 1 1 55 55 GLU HA H 1 4.010 0.005 . . . . . . 55 E HA . 16856 1
657 . 1 1 55 55 GLU HB2 H 1 1.950 0.005 . . . . . . 55 E HB2 . 16856 1
658 . 1 1 55 55 GLU HB3 H 1 1.950 0.005 . . . . . . 55 E HB3 . 16856 1
659 . 1 1 55 55 GLU HG2 H 1 2.150 0.005 . . . . . . 55 E HG2 . 16856 1
660 . 1 1 55 55 GLU HG3 H 1 2.030 0.005 . . . . . . 55 E HG3 . 16856 1
661 . 1 1 55 55 GLU C C 13 178.700 0.015 . . . . . . 55 E C . 16856 1
662 . 1 1 55 55 GLU CA C 13 58.500 0.015 . . . . . . 55 E CA . 16856 1
663 . 1 1 55 55 GLU CB C 13 29.800 0.015 . . . . . . 55 E CB . 16856 1
664 . 1 1 55 55 GLU CG C 13 35.884 0.015 . . . . . . 55 E CG . 16856 1
665 . 1 1 55 55 GLU N N 15 117.157 0.018 . . . . . . 55 E N . 16856 1
666 . 1 1 56 56 ALA H H 1 7.821 0.003 . . . . . . 56 A H . 16856 1
667 . 1 1 56 56 ALA HA H 1 3.948 0.003 . . . . . . 56 A HA . 16856 1
668 . 1 1 56 56 ALA HB1 H 1 1.025 0.005 . . . . . . 56 A QB . 16856 1
669 . 1 1 56 56 ALA HB2 H 1 1.025 0.005 . . . . . . 56 A QB . 16856 1
670 . 1 1 56 56 ALA HB3 H 1 1.025 0.005 . . . . . . 56 A QB . 16856 1
671 . 1 1 56 56 ALA C C 13 179.100 0.015 . . . . . . 56 A C . 16856 1
672 . 1 1 56 56 ALA CA C 13 54.347 0.049 . . . . . . 56 A CA . 16856 1
673 . 1 1 56 56 ALA CB C 13 19.382 0.085 . . . . . . 56 A CB . 16856 1
674 . 1 1 56 56 ALA N N 15 120.038 0.102 . . . . . . 56 A N . 16856 1
675 . 1 1 57 57 PHE H H 1 8.048 0.003 . . . . . . 57 F H . 16856 1
676 . 1 1 57 57 PHE HA H 1 4.594 0.003 . . . . . . 57 F HA . 16856 1
677 . 1 1 57 57 PHE HB2 H 1 3.320 0.005 . . . . . . 57 F HB2 . 16856 1
678 . 1 1 57 57 PHE HB3 H 1 2.740 0.005 . . . . . . 57 F HB3 . 16856 1
679 . 1 1 57 57 PHE HD1 H 1 7.140 0.005 . . . . . . 57 F HD1 . 16856 1
680 . 1 1 57 57 PHE HD2 H 1 7.140 0.005 . . . . . . 57 F HD2 . 16856 1
681 . 1 1 57 57 PHE HE1 H 1 7.250 0.005 . . . . . . 57 F HE1 . 16856 1
682 . 1 1 57 57 PHE HE2 H 1 7.250 0.005 . . . . . . 57 F HE2 . 16856 1
683 . 1 1 57 57 PHE HZ H 1 7.430 0.005 . . . . . . 57 F HZ . 16856 1
684 . 1 1 57 57 PHE C C 13 174.300 0.015 . . . . . . 57 F C . 16856 1
685 . 1 1 57 57 PHE CA C 13 57.844 0.071 . . . . . . 57 F CA . 16856 1
686 . 1 1 57 57 PHE CB C 13 38.740 0.037 . . . . . . 57 F CB . 16856 1
687 . 1 1 57 57 PHE N N 15 112.274 0.024 . . . . . . 57 F N . 16856 1
688 . 1 1 58 58 ASP H H 1 7.764 0.003 . . . . . . 58 D H . 16856 1
689 . 1 1 58 58 ASP HA H 1 4.350 0.005 . . . . . . 58 D HA . 16856 1
690 . 1 1 58 58 ASP HB2 H 1 2.970 0.005 . . . . . . 58 D HB2 . 16856 1
691 . 1 1 58 58 ASP HB3 H 1 2.490 0.005 . . . . . . 58 D HB3 . 16856 1
692 . 1 1 58 58 ASP C C 13 174.300 0.015 . . . . . . 58 D C . 16856 1
693 . 1 1 58 58 ASP CA C 13 55.300 0.015 . . . . . . 58 D CA . 16856 1
694 . 1 1 58 58 ASP CB C 13 39.461 0.106 . . . . . . 58 D CB . 16856 1
695 . 1 1 58 58 ASP N N 15 120.531 0.026 . . . . . . 58 D N . 16856 1
696 . 1 1 59 59 ASP H H 1 7.956 0.001 . . . . . . 59 D H . 16856 1
697 . 1 1 59 59 ASP HA H 1 4.840 0.005 . . . . . . 59 D HA . 16856 1
698 . 1 1 59 59 ASP HB2 H 1 2.380 0.005 . . . . . . 59 D HB2 . 16856 1
699 . 1 1 59 59 ASP HB3 H 1 2.380 0.005 . . . . . . 59 D HB3 . 16856 1
700 . 1 1 59 59 ASP C C 13 174.600 0.015 . . . . . . 59 D C . 16856 1
701 . 1 1 59 59 ASP CA C 13 53.000 0.015 . . . . . . 59 D CA . 16856 1
702 . 1 1 59 59 ASP CB C 13 44.450 0.030 . . . . . . 59 D CB . 16856 1
703 . 1 1 59 59 ASP N N 15 117.708 0.022 . . . . . . 59 D N . 16856 1
704 . 1 1 60 60 LYS H H 1 8.685 0.001 . . . . . . 60 K H . 16856 1
705 . 1 1 60 60 LYS HA H 1 4.407 0.005 . . . . . . 60 K HA . 16856 1
706 . 1 1 60 60 LYS HB2 H 1 1.650 0.005 . . . . . . 60 K HB2 . 16856 1
707 . 1 1 60 60 LYS HB3 H 1 1.650 0.005 . . . . . . 60 K HB3 . 16856 1
708 . 1 1 60 60 LYS HE2 H 1 2.920 0.005 . . . . . . 60 K HE2 . 16856 1
709 . 1 1 60 60 LYS HE3 H 1 2.920 0.005 . . . . . . 60 K HE3 . 16856 1
710 . 1 1 60 60 LYS HG2 H 1 1.290 0.005 . . . . . . 60 K HG2 . 16856 1
711 . 1 1 60 60 LYS HG3 H 1 1.290 0.005 . . . . . . 60 K HG3 . 16856 1
712 . 1 1 60 60 LYS C C 13 176.100 0.015 . . . . . . 60 K C . 16856 1
713 . 1 1 60 60 LYS CA C 13 54.640 0.062 . . . . . . 60 K CA . 16856 1
714 . 1 1 60 60 LYS CB C 13 33.474 0.067 . . . . . . 60 K CB . 16856 1
715 . 1 1 60 60 LYS CG C 13 24.480 0.089 . . . . . . 60 K CG . 16856 1
716 . 1 1 60 60 LYS N N 15 121.706 0.032 . . . . . . 60 K N . 16856 1
717 . 1 1 61 61 ILE H H 1 9.707 0.002 . . . . . . 61 I H . 16856 1
718 . 1 1 61 61 ILE HA H 1 4.322 0.003 . . . . . . 61 I HA . 16856 1
719 . 1 1 61 61 ILE HB H 1 1.761 0.005 . . . . . . 61 I HB . 16856 1
720 . 1 1 61 61 ILE HD11 H 1 0.852 0.008 . . . . . . 61 I QD1 . 16856 1
721 . 1 1 61 61 ILE HD12 H 1 0.852 0.008 . . . . . . 61 I QD1 . 16856 1
722 . 1 1 61 61 ILE HD13 H 1 0.852 0.008 . . . . . . 61 I QD1 . 16856 1
723 . 1 1 61 61 ILE HG12 H 1 1.020 0.005 . . . . . . 61 I HG12 . 16856 1
724 . 1 1 61 61 ILE HG13 H 1 1.700 0.005 . . . . . . 61 I HG13 . 16856 1
725 . 1 1 61 61 ILE HG21 H 1 0.510 0.005 . . . . . . 61 I HG21 . 16856 1
726 . 1 1 61 61 ILE HG22 H 1 0.510 0.005 . . . . . . 61 I HG22 . 16856 1
727 . 1 1 61 61 ILE HG23 H 1 0.510 0.005 . . . . . . 61 I HG23 . 16856 1
728 . 1 1 61 61 ILE CA C 13 58.872 0.003 . . . . . . 61 I CA . 16856 1
729 . 1 1 61 61 ILE CB C 13 38.601 0.008 . . . . . . 61 I CB . 16856 1
730 . 1 1 61 61 ILE CD1 C 13 13.679 0.066 . . . . . . 61 I CD1 . 16856 1
731 . 1 1 61 61 ILE CG1 C 13 27.530 0.060 . . . . . . 61 I CG1 . 16856 1
732 . 1 1 61 61 ILE CG2 C 13 17.300 0.015 . . . . . . 61 I CG2 . 16856 1
733 . 1 1 61 61 ILE N N 15 128.039 0.022 . . . . . . 61 I N . 16856 1
734 . 1 1 62 62 PRO HA H 1 4.341 0.014 . . . . . . 62 P HA . 16856 1
735 . 1 1 62 62 PRO HB2 H 1 2.390 0.005 . . . . . . 62 P HB2 . 16856 1
736 . 1 1 62 62 PRO HB3 H 1 1.940 0.005 . . . . . . 62 P HB3 . 16856 1
737 . 1 1 62 62 PRO HD2 H 1 3.440 0.005 . . . . . . 62 P HD2 . 16856 1
738 . 1 1 62 62 PRO HD3 H 1 4.130 0.005 . . . . . . 62 P HD3 . 16856 1
739 . 1 1 62 62 PRO HG2 H 1 2.130 0.005 . . . . . . 62 P HG2 . 16856 1
740 . 1 1 62 62 PRO HG3 H 1 2.010 0.005 . . . . . . 62 P HG3 . 16856 1
741 . 1 1 62 62 PRO C C 13 177.600 0.015 . . . . . . 62 P C . 16856 1
742 . 1 1 62 62 PRO CA C 13 62.795 0.049 . . . . . . 62 P CA . 16856 1
743 . 1 1 62 62 PRO CB C 13 32.666 0.050 . . . . . . 62 P CB . 16856 1
744 . 1 1 62 62 PRO CD C 13 51.413 0.040 . . . . . . 62 P CD . 16856 1
745 . 1 1 62 62 PRO CG C 13 27.898 0.054 . . . . . . 62 P CG . 16856 1
746 . 1 1 63 63 GLU H H 1 8.846 0.002 . . . . . . 63 E H . 16856 1
747 . 1 1 63 63 GLU HA H 1 3.715 0.005 . . . . . . 63 E HA . 16856 1
748 . 1 1 63 63 GLU HB2 H 1 1.950 0.005 . . . . . . 63 E HB2 . 16856 1
749 . 1 1 63 63 GLU HB3 H 1 1.890 0.005 . . . . . . 63 E HB3 . 16856 1
750 . 1 1 63 63 GLU HG2 H 1 1.830 0.005 . . . . . . 63 E HG2 . 16856 1
751 . 1 1 63 63 GLU HG3 H 1 1.770 0.005 . . . . . . 63 E HG3 . 16856 1
752 . 1 1 63 63 GLU C C 13 177.400 0.015 . . . . . . 63 E C . 16856 1
753 . 1 1 63 63 GLU CA C 13 59.571 0.015 . . . . . . 63 E CA . 16856 1
754 . 1 1 63 63 GLU CB C 13 29.623 0.054 . . . . . . 63 E CB . 16856 1
755 . 1 1 63 63 GLU CG C 13 32.574 0.022 . . . . . . 63 E CG . 16856 1
756 . 1 1 63 63 GLU N N 15 124.109 0.035 . . . . . . 63 E N . 16856 1
757 . 1 1 64 64 ASN H H 1 8.477 0.005 . . . . . . 64 N H . 16856 1
758 . 1 1 64 64 ASN HA H 1 4.288 0.005 . . . . . . 64 N HA . 16856 1
759 . 1 1 64 64 ASN HB2 H 1 2.710 0.005 . . . . . . 64 N HB2 . 16856 1
760 . 1 1 64 64 ASN HB3 H 1 2.690 0.005 . . . . . . 64 N HB3 . 16856 1
761 . 1 1 64 64 ASN HD21 H 1 7.610 0.005 . . . . . . 64 N HD21 . 16856 1
762 . 1 1 64 64 ASN HD22 H 1 6.870 0.005 . . . . . . 64 N HD22 . 16856 1
763 . 1 1 64 64 ASN C C 13 176.900 0.015 . . . . . . 64 N C . 16856 1
764 . 1 1 64 64 ASN CA C 13 55.457 0.015 . . . . . . 64 N CA . 16856 1
765 . 1 1 64 64 ASN CB C 13 37.131 0.015 . . . . . . 64 N CB . 16856 1
766 . 1 1 64 64 ASN N N 15 114.241 0.020 . . . . . . 64 N N . 16856 1
767 . 1 1 64 64 ASN ND2 N 15 113.761 0.075 . . . . . . 64 N ND2 . 16856 1
768 . 1 1 65 65 GLU H H 1 7.200 0.002 . . . . . . 65 E H . 16856 1
769 . 1 1 65 65 GLU HA H 1 3.981 0.012 . . . . . . 65 E HA . 16856 1
770 . 1 1 65 65 GLU HB2 H 1 1.610 0.005 . . . . . . 65 E HB2 . 16856 1
771 . 1 1 65 65 GLU HB3 H 1 1.420 0.005 . . . . . . 65 E HB3 . 16856 1
772 . 1 1 65 65 GLU HG2 H 1 2.130 0.005 . . . . . . 65 E HG2 . 16856 1
773 . 1 1 65 65 GLU HG3 H 1 2.130 0.005 . . . . . . 65 E HG3 . 16856 1
774 . 1 1 65 65 GLU C C 13 177.600 0.015 . . . . . . 65 E C . 16856 1
775 . 1 1 65 65 GLU CA C 13 57.404 0.025 . . . . . . 65 E CA . 16856 1
776 . 1 1 65 65 GLU CB C 13 28.634 0.015 . . . . . . 65 E CB . 16856 1
777 . 1 1 65 65 GLU CG C 13 35.962 0.036 . . . . . . 65 E CG . 16856 1
778 . 1 1 65 65 GLU N N 15 118.487 0.038 . . . . . . 65 E N . 16856 1
779 . 1 1 66 66 ALA H H 1 7.462 0.002 . . . . . . 66 A H . 16856 1
780 . 1 1 66 66 ALA HA H 1 2.576 0.009 . . . . . . 66 A HA . 16856 1
781 . 1 1 66 66 ALA HB1 H 1 0.972 0.001 . . . . . . 66 A QB . 16856 1
782 . 1 1 66 66 ALA HB2 H 1 0.972 0.001 . . . . . . 66 A QB . 16856 1
783 . 1 1 66 66 ALA HB3 H 1 0.972 0.001 . . . . . . 66 A QB . 16856 1
784 . 1 1 66 66 ALA C C 13 178.300 0.015 . . . . . . 66 A C . 16856 1
785 . 1 1 66 66 ALA CA C 13 53.017 0.045 . . . . . . 66 A CA . 16856 1
786 . 1 1 66 66 ALA CB C 13 18.504 0.059 . . . . . . 66 A CB . 16856 1
787 . 1 1 66 66 ALA N N 15 120.976 0.034 . . . . . . 66 A N . 16856 1
788 . 1 1 67 67 ASN H H 1 7.563 0.001 . . . . . . 67 N H . 16856 1
789 . 1 1 67 67 ASN HA H 1 4.300 0.005 . . . . . . 67 N HA . 16856 1
790 . 1 1 67 67 ASN HB2 H 1 2.660 0.005 . . . . . . 67 N HB2 . 16856 1
791 . 1 1 67 67 ASN HB3 H 1 2.640 0.005 . . . . . . 67 N HB3 . 16856 1
792 . 1 1 67 67 ASN HD21 H 1 7.490 0.005 . . . . . . 67 N HD21 . 16856 1
793 . 1 1 67 67 ASN HD22 H 1 6.870 0.005 . . . . . . 67 N HD22 . 16856 1
794 . 1 1 67 67 ASN C C 13 175.500 0.015 . . . . . . 67 N C . 16856 1
795 . 1 1 67 67 ASN CA C 13 54.400 0.015 . . . . . . 67 N CA . 16856 1
796 . 1 1 67 67 ASN CB C 13 38.392 0.015 . . . . . . 67 N CB . 16856 1
797 . 1 1 67 67 ASN N N 15 114.119 0.020 . . . . . . 67 N N . 16856 1
798 . 1 1 67 67 ASN ND2 N 15 112.360 0.116 . . . . . . 67 N ND2 . 16856 1
799 . 1 1 68 68 GLU H H 1 7.104 0.003 . . . . . . 68 E H . 16856 1
800 . 1 1 68 68 GLU HA H 1 4.320 0.005 . . . . . . 68 E HA . 16856 1
801 . 1 1 68 68 GLU HB2 H 1 2.190 0.005 . . . . . . 68 E HB2 . 16856 1
802 . 1 1 68 68 GLU HB3 H 1 1.770 0.005 . . . . . . 68 E HB3 . 16856 1
803 . 1 1 68 68 GLU HG2 H 1 2.260 0.005 . . . . . . 68 E HG2 . 16856 1
804 . 1 1 68 68 GLU HG3 H 1 2.070 0.005 . . . . . . 68 E HG3 . 16856 1
805 . 1 1 68 68 GLU C C 13 177.000 0.015 . . . . . . 68 E C . 16856 1
806 . 1 1 68 68 GLU CA C 13 55.400 0.015 . . . . . . 68 E CA . 16856 1
807 . 1 1 68 68 GLU CB C 13 29.784 0.059 . . . . . . 68 E CB . 16856 1
808 . 1 1 68 68 GLU CG C 13 35.760 0.080 . . . . . . 68 E CG . 16856 1
809 . 1 1 68 68 GLU N N 15 115.551 0.010 . . . . . . 68 E N . 16856 1
810 . 1 1 69 69 PHE H H 1 7.279 0.001 . . . . . . 69 F H . 16856 1
811 . 1 1 69 69 PHE HA H 1 4.812 0.005 . . . . . . 69 F HA . 16856 1
812 . 1 1 69 69 PHE HB2 H 1 3.000 0.005 . . . . . . 69 F HB2 . 16856 1
813 . 1 1 69 69 PHE HB3 H 1 3.160 0.005 . . . . . . 69 F HB3 . 16856 1
814 . 1 1 69 69 PHE HD1 H 1 6.138 0.005 . . . . . . 69 F QD . 16856 1
815 . 1 1 69 69 PHE HD2 H 1 6.138 0.005 . . . . . . 69 F QD . 16856 1
816 . 1 1 69 69 PHE HE1 H 1 6.880 0.005 . . . . . . 69 F HE1 . 16856 1
817 . 1 1 69 69 PHE HE2 H 1 6.880 0.005 . . . . . . 69 F HE2 . 16856 1
818 . 1 1 69 69 PHE HZ H 1 6.927 0.006 . . . . . . 69 F HZ . 16856 1
819 . 1 1 69 69 PHE C C 13 175.300 0.015 . . . . . . 69 F C . 16856 1
820 . 1 1 69 69 PHE CA C 13 55.393 0.015 . . . . . . 69 F CA . 16856 1
821 . 1 1 69 69 PHE CB C 13 37.522 0.027 . . . . . . 69 F CB . 16856 1
822 . 1 1 69 69 PHE N N 15 118.859 0.015 . . . . . . 69 F N . 16856 1
823 . 1 1 70 70 GLU H H 1 9.771 0.002 . . . . . . 70 E H . 16856 1
824 . 1 1 70 70 GLU HA H 1 4.708 0.005 . . . . . . 70 E HA . 16856 1
825 . 1 1 70 70 GLU HB2 H 1 2.230 0.005 . . . . . . 70 E HB2 . 16856 1
826 . 1 1 70 70 GLU HB3 H 1 2.230 0.005 . . . . . . 70 E HB3 . 16856 1
827 . 1 1 70 70 GLU HG2 H 1 2.450 0.005 . . . . . . 70 E HG2 . 16856 1
828 . 1 1 70 70 GLU HG3 H 1 2.330 0.005 . . . . . . 70 E HG3 . 16856 1
829 . 1 1 70 70 GLU C C 13 178.200 0.015 . . . . . . 70 E C . 16856 1
830 . 1 1 70 70 GLU CA C 13 57.811 0.015 . . . . . . 70 E CA . 16856 1
831 . 1 1 70 70 GLU CB C 13 32.800 0.015 . . . . . . 70 E CB . 16856 1
832 . 1 1 70 70 GLU CG C 13 36.682 0.084 . . . . . . 70 E CG . 16856 1
833 . 1 1 70 70 GLU N N 15 123.462 0.014 . . . . . . 70 E N . 16856 1
834 . 1 1 71 71 THR H H 1 8.651 0.003 . . . . . . 71 T H . 16856 1
835 . 1 1 71 71 THR HA H 1 5.202 0.010 . . . . . . 71 T HA . 16856 1
836 . 1 1 71 71 THR HB H 1 4.303 0.002 . . . . . . 71 T HB . 16856 1
837 . 1 1 71 71 THR HG21 H 1 1.064 0.012 . . . . . . 71 T QG2 . 16856 1
838 . 1 1 71 71 THR HG22 H 1 1.064 0.012 . . . . . . 71 T QG2 . 16856 1
839 . 1 1 71 71 THR HG23 H 1 1.064 0.012 . . . . . . 71 T QG2 . 16856 1
840 . 1 1 71 71 THR C C 13 175.500 0.015 . . . . . . 71 T C . 16856 1
841 . 1 1 71 71 THR CA C 13 58.368 0.071 . . . . . . 71 T CA . 16856 1
842 . 1 1 71 71 THR CB C 13 73.559 0.015 . . . . . . 71 T CB . 16856 1
843 . 1 1 71 71 THR CG2 C 13 21.893 0.075 . . . . . . 71 T CG2 . 16856 1
844 . 1 1 71 71 THR N N 15 111.192 0.109 . . . . . . 71 T N . 16856 1
845 . 1 1 72 72 VAL H H 1 7.889 0.001 . . . . . . 72 V H . 16856 1
846 . 1 1 72 72 VAL HA H 1 3.237 0.009 . . . . . . 72 V HA . 16856 1
847 . 1 1 72 72 VAL HB H 1 2.288 0.002 . . . . . . 72 V HB . 16856 1
848 . 1 1 72 72 VAL HG11 H 1 0.600 0.005 . . . . . . 72 V HG11 . 16856 1
849 . 1 1 72 72 VAL HG12 H 1 0.600 0.005 . . . . . . 72 V HG12 . 16856 1
850 . 1 1 72 72 VAL HG13 H 1 0.600 0.005 . . . . . . 72 V HG13 . 16856 1
851 . 1 1 72 72 VAL HG21 H 1 0.690 0.005 . . . . . . 72 V HG21 . 16856 1
852 . 1 1 72 72 VAL HG22 H 1 0.690 0.005 . . . . . . 72 V HG22 . 16856 1
853 . 1 1 72 72 VAL HG23 H 1 0.690 0.005 . . . . . . 72 V HG23 . 16856 1
854 . 1 1 72 72 VAL C C 13 178.400 0.015 . . . . . . 72 V C . 16856 1
855 . 1 1 72 72 VAL CA C 13 66.779 0.080 . . . . . . 72 V CA . 16856 1
856 . 1 1 72 72 VAL CB C 13 31.342 0.056 . . . . . . 72 V CB . 16856 1
857 . 1 1 72 72 VAL CG1 C 13 21.500 0.015 . . . . . . 72 V CG1 . 16856 1
858 . 1 1 72 72 VAL CG2 C 13 23.800 0.015 . . . . . . 72 V CG2 . 16856 1
859 . 1 1 72 72 VAL N N 15 119.910 0.087 . . . . . . 72 V N . 16856 1
860 . 1 1 73 73 GLY H H 1 8.882 0.001 . . . . . . 73 G H . 16856 1
861 . 1 1 73 73 GLY HA2 H 1 3.550 0.005 . . . . . . 73 G HA2 . 16856 1
862 . 1 1 73 73 GLY HA3 H 1 3.990 0.005 . . . . . . 73 G HA3 . 16856 1
863 . 1 1 73 73 GLY C C 13 174.900 0.015 . . . . . . 73 G C . 16856 1
864 . 1 1 73 73 GLY CA C 13 47.221 0.062 . . . . . . 73 G CA . 16856 1
865 . 1 1 73 73 GLY N N 15 108.321 0.014 . . . . . . 73 G N . 16856 1
866 . 1 1 74 74 ASP H H 1 7.920 0.001 . . . . . . 74 D H . 16856 1
867 . 1 1 74 74 ASP HA H 1 4.466 0.005 . . . . . . 74 D HA . 16856 1
868 . 1 1 74 74 ASP HB2 H 1 3.200 0.005 . . . . . . 74 D HB2 . 16856 1
869 . 1 1 74 74 ASP HB3 H 1 2.940 0.005 . . . . . . 74 D HB3 . 16856 1
870 . 1 1 74 74 ASP C C 13 179.200 0.015 . . . . . . 74 D C . 16856 1
871 . 1 1 74 74 ASP CA C 13 57.739 0.015 . . . . . . 74 D CA . 16856 1
872 . 1 1 74 74 ASP CB C 13 41.129 0.048 . . . . . . 74 D CB . 16856 1
873 . 1 1 74 74 ASP N N 15 121.539 0.056 . . . . . . 74 D N . 16856 1
874 . 1 1 75 75 VAL H H 1 7.144 0.001 . . . . . . 75 V H . 16856 1
875 . 1 1 75 75 VAL HA H 1 2.838 0.013 . . . . . . 75 V HA . 16856 1
876 . 1 1 75 75 VAL HB H 1 2.202 0.007 . . . . . . 75 V HB . 16856 1
877 . 1 1 75 75 VAL HG11 H 1 0.690 0.005 . . . . . . 75 V HG11 . 16856 1
878 . 1 1 75 75 VAL HG12 H 1 0.690 0.005 . . . . . . 75 V HG12 . 16856 1
879 . 1 1 75 75 VAL HG13 H 1 0.690 0.005 . . . . . . 75 V HG13 . 16856 1
880 . 1 1 75 75 VAL HG21 H 1 0.590 0.005 . . . . . . 75 V HG21 . 16856 1
881 . 1 1 75 75 VAL HG22 H 1 0.590 0.005 . . . . . . 75 V HG22 . 16856 1
882 . 1 1 75 75 VAL HG23 H 1 0.590 0.005 . . . . . . 75 V HG23 . 16856 1
883 . 1 1 75 75 VAL C C 13 177.100 0.015 . . . . . . 75 V C . 16856 1
884 . 1 1 75 75 VAL CA C 13 65.610 0.073 . . . . . . 75 V CA . 16856 1
885 . 1 1 75 75 VAL CB C 13 31.075 0.093 . . . . . . 75 V CB . 16856 1
886 . 1 1 75 75 VAL CG1 C 13 22.200 0.015 . . . . . . 75 V CG1 . 16856 1
887 . 1 1 75 75 VAL CG2 C 13 22.200 0.015 . . . . . . 75 V CG2 . 16856 1
888 . 1 1 75 75 VAL N N 15 120.122 0.067 . . . . . . 75 V N . 16856 1
889 . 1 1 76 76 VAL H H 1 7.794 0.003 . . . . . . 76 V H . 16856 1
890 . 1 1 76 76 VAL HA H 1 3.198 0.001 . . . . . . 76 V HA . 16856 1
891 . 1 1 76 76 VAL HB H 1 2.206 0.003 . . . . . . 76 V HB . 16856 1
892 . 1 1 76 76 VAL HG11 H 1 0.890 0.005 . . . . . . 76 V HG11 . 16856 1
893 . 1 1 76 76 VAL HG12 H 1 0.890 0.005 . . . . . . 76 V HG12 . 16856 1
894 . 1 1 76 76 VAL HG13 H 1 0.890 0.005 . . . . . . 76 V HG13 . 16856 1
895 . 1 1 76 76 VAL HG21 H 1 1.060 0.005 . . . . . . 76 V HG21 . 16856 1
896 . 1 1 76 76 VAL HG22 H 1 1.060 0.005 . . . . . . 76 V HG22 . 16856 1
897 . 1 1 76 76 VAL HG23 H 1 1.060 0.005 . . . . . . 76 V HG23 . 16856 1
898 . 1 1 76 76 VAL C C 13 177.200 0.015 . . . . . . 76 V C . 16856 1
899 . 1 1 76 76 VAL CA C 13 66.845 0.090 . . . . . . 76 V CA . 16856 1
900 . 1 1 76 76 VAL CB C 13 31.487 0.013 . . . . . . 76 V CB . 16856 1
901 . 1 1 76 76 VAL CG1 C 13 21.000 0.015 . . . . . . 76 V CG1 . 16856 1
902 . 1 1 76 76 VAL CG2 C 13 23.500 0.015 . . . . . . 76 V CG2 . 16856 1
903 . 1 1 76 76 VAL N N 15 119.502 0.051 . . . . . . 76 V N . 16856 1
904 . 1 1 77 77 ASN H H 1 8.664 0.001 . . . . . . 77 N H . 16856 1
905 . 1 1 77 77 ASN HA H 1 4.320 0.005 . . . . . . 77 N HA . 16856 1
906 . 1 1 77 77 ASN HB2 H 1 2.830 0.005 . . . . . . 77 N HB2 . 16856 1
907 . 1 1 77 77 ASN HB3 H 1 2.740 0.005 . . . . . . 77 N HB3 . 16856 1
908 . 1 1 77 77 ASN HD21 H 1 7.710 0.005 . . . . . . 77 N HD21 . 16856 1
909 . 1 1 77 77 ASN HD22 H 1 6.770 0.005 . . . . . . 77 N HD22 . 16856 1
910 . 1 1 77 77 ASN C C 13 177.400 0.015 . . . . . . 77 N C . 16856 1
911 . 1 1 77 77 ASN CA C 13 55.800 0.015 . . . . . . 77 N CA . 16856 1
912 . 1 1 77 77 ASN CB C 13 37.858 0.082 . . . . . . 77 N CB . 16856 1
913 . 1 1 77 77 ASN N N 15 116.285 0.025 . . . . . . 77 N N . 16856 1
914 . 1 1 77 77 ASN ND2 N 15 112.600 0.015 . . . . . . 77 N ND2 . 16856 1
915 . 1 1 78 78 PHE H H 1 7.638 0.002 . . . . . . 78 F H . 16856 1
916 . 1 1 78 78 PHE HA H 1 4.121 0.015 . . . . . . 78 F HA . 16856 1
917 . 1 1 78 78 PHE HB2 H 1 3.400 0.005 . . . . . . 78 F HB2 . 16856 1
918 . 1 1 78 78 PHE HB3 H 1 3.260 0.005 . . . . . . 78 F HB3 . 16856 1
919 . 1 1 78 78 PHE HD1 H 1 7.230 0.005 . . . . . . 78 F HD1 . 16856 1
920 . 1 1 78 78 PHE HD2 H 1 7.230 0.005 . . . . . . 78 F HD2 . 16856 1
921 . 1 1 78 78 PHE HE1 H 1 7.282 0.001 . . . . . . 78 F QE . 16856 1
922 . 1 1 78 78 PHE HE2 H 1 7.282 0.001 . . . . . . 78 F QE . 16856 1
923 . 1 1 78 78 PHE HZ H 1 7.310 0.005 . . . . . . 78 F HZ . 16856 1
924 . 1 1 78 78 PHE C C 13 177.000 0.015 . . . . . . 78 F C . 16856 1
925 . 1 1 78 78 PHE CA C 13 61.684 0.015 . . . . . . 78 F CA . 16856 1
926 . 1 1 78 78 PHE CB C 13 39.740 0.082 . . . . . . 78 F CB . 16856 1
927 . 1 1 78 78 PHE N N 15 121.517 0.043 . . . . . . 78 F N . 16856 1
928 . 1 1 79 79 ILE H H 1 7.969 0.001 . . . . . . 79 I H . 16856 1
929 . 1 1 79 79 ILE HA H 1 3.326 0.010 . . . . . . 79 I HA . 16856 1
930 . 1 1 79 79 ILE HB H 1 1.596 0.001 . . . . . . 79 I HB . 16856 1
931 . 1 1 79 79 ILE HD11 H 1 0.317 0.011 . . . . . . 79 I QD1 . 16856 1
932 . 1 1 79 79 ILE HD12 H 1 0.317 0.011 . . . . . . 79 I QD1 . 16856 1
933 . 1 1 79 79 ILE HD13 H 1 0.317 0.011 . . . . . . 79 I QD1 . 16856 1
934 . 1 1 79 79 ILE HG12 H 1 1.110 0.005 . . . . . . 79 I HG12 . 16856 1
935 . 1 1 79 79 ILE HG13 H 1 1.410 0.005 . . . . . . 79 I HG13 . 16856 1
936 . 1 1 79 79 ILE HG21 H 1 0.102 0.005 . . . . . . 79 I QG2 . 16856 1
937 . 1 1 79 79 ILE HG22 H 1 0.102 0.005 . . . . . . 79 I QG2 . 16856 1
938 . 1 1 79 79 ILE HG23 H 1 0.102 0.005 . . . . . . 79 I QG2 . 16856 1
939 . 1 1 79 79 ILE C C 13 178.400 0.015 . . . . . . 79 I C . 16856 1
940 . 1 1 79 79 ILE CA C 13 63.658 0.093 . . . . . . 79 I CA . 16856 1
941 . 1 1 79 79 ILE CB C 13 36.914 0.044 . . . . . . 79 I CB . 16856 1
942 . 1 1 79 79 ILE CD1 C 13 12.213 0.023 . . . . . . 79 I CD1 . 16856 1
943 . 1 1 79 79 ILE CG1 C 13 29.098 0.062 . . . . . . 79 I CG1 . 16856 1
944 . 1 1 79 79 ILE CG2 C 13 16.862 0.045 . . . . . . 79 I CG2 . 16856 1
945 . 1 1 79 79 ILE N N 15 119.560 0.093 . . . . . . 79 I N . 16856 1
946 . 1 1 80 80 LYS H H 1 8.462 0.002 . . . . . . 80 K H . 16856 1
947 . 1 1 80 80 LYS HA H 1 3.720 0.005 . . . . . . 80 K HA . 16856 1
948 . 1 1 80 80 LYS HB2 H 1 1.840 0.005 . . . . . . 80 K HB2 . 16856 1
949 . 1 1 80 80 LYS HB3 H 1 1.780 0.005 . . . . . . 80 K HB3 . 16856 1
950 . 1 1 80 80 LYS HD2 H 1 1.660 0.005 . . . . . . 80 K HD2 . 16856 1
951 . 1 1 80 80 LYS HD3 H 1 1.560 0.005 . . . . . . 80 K HD3 . 16856 1
952 . 1 1 80 80 LYS HE2 H 1 2.940 0.005 . . . . . . 80 K HE2 . 16856 1
953 . 1 1 80 80 LYS HE3 H 1 2.940 0.005 . . . . . . 80 K HE3 . 16856 1
954 . 1 1 80 80 LYS HG2 H 1 1.470 0.005 . . . . . . 80 K HG2 . 16856 1
955 . 1 1 80 80 LYS HG3 H 1 1.410 0.005 . . . . . . 80 K HG3 . 16856 1
956 . 1 1 80 80 LYS C C 13 179.000 0.015 . . . . . . 80 K C . 16856 1
957 . 1 1 80 80 LYS CA C 13 59.700 0.015 . . . . . . 80 K CA . 16856 1
958 . 1 1 80 80 LYS CB C 13 32.339 0.015 . . . . . . 80 K CB . 16856 1
959 . 1 1 80 80 LYS CD C 13 29.675 0.015 . . . . . . 80 K CD . 16856 1
960 . 1 1 80 80 LYS CE C 13 42.400 0.015 . . . . . . 80 K CE . 16856 1
961 . 1 1 80 80 LYS CG C 13 25.692 0.080 . . . . . . 80 K CG . 16856 1
962 . 1 1 80 80 LYS N N 15 118.817 0.107 . . . . . . 80 K N . 16856 1
963 . 1 1 81 81 LYS H H 1 7.636 0.003 . . . . . . 81 K H . 16856 1
964 . 1 1 81 81 LYS HA H 1 3.995 0.017 . . . . . . 81 K HA . 16856 1
965 . 1 1 81 81 LYS HB2 H 1 1.770 0.005 . . . . . . 81 K HB2 . 16856 1
966 . 1 1 81 81 LYS HB3 H 1 1.770 0.005 . . . . . . 81 K HB3 . 16856 1
967 . 1 1 81 81 LYS HE2 H 1 2.830 0.005 . . . . . . 81 K HE2 . 16856 1
968 . 1 1 81 81 LYS HE3 H 1 2.740 0.005 . . . . . . 81 K HE3 . 16856 1
969 . 1 1 81 81 LYS HG2 H 1 1.430 0.005 . . . . . . 81 K HG2 . 16856 1
970 . 1 1 81 81 LYS HG3 H 1 1.340 0.005 . . . . . . 81 K HG3 . 16856 1
971 . 1 1 81 81 LYS CA C 13 57.801 0.015 . . . . . . 81 K CA . 16856 1
972 . 1 1 81 81 LYS CB C 13 31.913 0.076 . . . . . . 81 K CB . 16856 1
973 . 1 1 81 81 LYS CE C 13 42.700 0.015 . . . . . . 81 K CE . 16856 1
974 . 1 1 81 81 LYS CG C 13 25.213 0.015 . . . . . . 81 K CG . 16856 1
975 . 1 1 81 81 LYS N N 15 118.396 0.026 . . . . . . 81 K N . 16856 1
976 . 1 1 82 82 ARG H H 1 7.358 0.001 . . . . . . 82 R H . 16856 1
977 . 1 1 82 82 ARG HA H 1 3.975 0.001 . . . . . . 82 R HA . 16856 1
978 . 1 1 82 82 ARG HB2 H 1 1.780 0.005 . . . . . . 82 R HB2 . 16856 1
979 . 1 1 82 82 ARG HB3 H 1 1.630 0.005 . . . . . . 82 R HB3 . 16856 1
980 . 1 1 82 82 ARG HD2 H 1 2.830 0.005 . . . . . . 82 R HD2 . 16856 1
981 . 1 1 82 82 ARG HD3 H 1 2.740 0.005 . . . . . . 82 R HD3 . 16856 1
982 . 1 1 82 82 ARG HE H 1 8.044 0.001 . . . . . . 82 R HE . 16856 1
983 . 1 1 82 82 ARG HG2 H 1 1.310 0.005 . . . . . . 82 R HG2 . 16856 1
984 . 1 1 82 82 ARG HG3 H 1 1.310 0.005 . . . . . . 82 R HG3 . 16856 1
985 . 1 1 82 82 ARG C C 13 177.600 0.015 . . . . . . 82 R C . 16856 1
986 . 1 1 82 82 ARG CA C 13 57.032 0.071 . . . . . . 82 R CA . 16856 1
987 . 1 1 82 82 ARG CB C 13 30.340 0.015 . . . . . . 82 R CB . 16856 1
988 . 1 1 82 82 ARG CD C 13 42.700 0.015 . . . . . . 82 R CD . 16856 1
989 . 1 1 82 82 ARG CG C 13 26.200 0.015 . . . . . . 82 R CG . 16856 1
990 . 1 1 82 82 ARG N N 15 118.493 0.033 . . . . . . 82 R N . 16856 1
991 . 1 1 82 82 ARG NE N 15 109.381 0.029 . . . . . . 82 R NE . 16856 1
992 . 1 1 83 83 LYS H H 1 7.911 0.001 . . . . . . 83 K H . 16856 1
993 . 1 1 83 83 LYS HA H 1 4.320 0.005 . . . . . . 83 K HA . 16856 1
994 . 1 1 83 83 LYS HB2 H 1 1.940 0.005 . . . . . . 83 K HB2 . 16856 1
995 . 1 1 83 83 LYS HB3 H 1 1.760 0.005 . . . . . . 83 K HB3 . 16856 1
996 . 1 1 83 83 LYS HG2 H 1 1.460 0.005 . . . . . . 83 K HG2 . 16856 1
997 . 1 1 83 83 LYS HG3 H 1 1.260 0.005 . . . . . . 83 K HG3 . 16856 1
998 . 1 1 83 83 LYS C C 13 176.600 0.015 . . . . . . 83 K C . 16856 1
999 . 1 1 83 83 LYS CA C 13 55.800 0.015 . . . . . . 83 K CA . 16856 1
1000 . 1 1 83 83 LYS CB C 13 32.405 0.104 . . . . . . 83 K CB . 16856 1
1001 . 1 1 83 83 LYS CG C 13 24.839 0.078 . . . . . . 83 K CG . 16856 1
1002 . 1 1 83 83 LYS N N 15 118.498 0.028 . . . . . . 83 K N . 16856 1
1003 . 1 1 84 84 GLY H H 1 7.704 0.002 . . . . . . 84 G H . 16856 1
1004 . 1 1 84 84 GLY HA2 H 1 3.720 0.005 . . . . . . 84 G HA2 . 16856 1
1005 . 1 1 84 84 GLY HA3 H 1 3.720 0.005 . . . . . . 84 G HA3 . 16856 1
1006 . 1 1 84 84 GLY CA C 13 46.209 0.039 . . . . . . 84 G CA . 16856 1
1007 . 1 1 84 84 GLY N N 15 114.443 0.031 . . . . . . 84 G N . 16856 1
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