Content for NMR-STAR saveframe, "assigned_chemical_shifts_1"
save_assigned_chemical_shifts_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1
_Assigned_chem_shift_list.Entry_ID 51104
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name GltJ-ZnR-shifts
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '3D CBCACONH' . . . 51104 1
2 '3D CBCA(CO)NH' . . . 51104 1
3 '3D HNCO' . . . 51104 1
4 '3D HN(CA)CO' . . . 51104 1
5 '3D HNCA' . . . 51104 1
6 '3D HN(CO)CA' . . . 51104 1
7 '3D HCCH-TOCSY' . . . 51104 1
8 '3D 1H-15N NOESY' . . . 51104 1
9 '3D 1H-15N TOCSY' . . . 51104 1
10 '3D 1H-13C NOESY aliphatic' . . . 51104 1
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
2 $software_2 . . 51104 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 . 1 1 1 MET CA C 13 55.05059448 0 . . . . . . . 1 MET CA . 51104 1
2 . 1 . 1 2 2 ALA HA H 1 4.103412321 0.0185386507 . . . . . . . 2 ALA HA . 51104 1
3 . 1 . 1 2 2 ALA HB1 H 1 1.481199899 0.003011619531 . . . . . . . 2 ALA HB# . 51104 1
4 . 1 . 1 2 2 ALA HB2 H 1 1.481199899 0.003011619531 . . . . . . . 2 ALA HB# . 51104 1
5 . 1 . 1 2 2 ALA HB3 H 1 1.481199899 0.003011619531 . . . . . . . 2 ALA HB# . 51104 1
6 . 1 . 1 2 2 ALA C C 13 173.2359968 0 . . . . . . . 2 ALA C . 51104 1
7 . 1 . 1 2 2 ALA CA C 13 51.79999773 0.06783579063 . . . . . . . 2 ALA CA . 51104 1
8 . 1 . 1 2 2 ALA CB C 13 19.8477674 0.005675597277 . . . . . . . 2 ALA CB . 51104 1
9 . 1 . 1 3 3 ARG H H 1 8.693624258 0.004140213831 . . . . . . . 3 ARG H . 51104 1
10 . 1 . 1 3 3 ARG HA H 1 4.328578105 0 . . . . . . . 3 ARG HA . 51104 1
11 . 1 . 1 3 3 ARG HB2 H 1 1.788550178 0.0002876065328 . . . . . . . 3 ARG HB2 . 51104 1
12 . 1 . 1 3 3 ARG HB3 H 1 1.788550178 0.0002876065328 . . . . . . . 3 ARG HB3 . 51104 1
13 . 1 . 1 3 3 ARG C C 13 175.1385892 0.03251670599 . . . . . . . 3 ARG C . 51104 1
14 . 1 . 1 3 3 ARG CA C 13 55.05488462 0.1806485207 . . . . . . . 3 ARG CA . 51104 1
15 . 1 . 1 3 3 ARG CB C 13 32.24244275 0.06686338255 . . . . . . . 3 ARG CB . 51104 1
16 . 1 . 1 3 3 ARG CG C 13 28.90837545 0 . . . . . . . 3 ARG CG . 51104 1
17 . 1 . 1 3 3 ARG CD C 13 42.77068422 0 . . . . . . . 3 ARG CD . 51104 1
18 . 1 . 1 3 3 ARG N N 15 122.1805704 0.1043126561 . . . . . . . 3 ARG N . 51104 1
19 . 1 . 1 4 4 PHE H H 1 8.545614847 0.003807757935 . . . . . . . 4 PHE H . 51104 1
20 . 1 . 1 4 4 PHE HA H 1 4.867677564 0.02805687551 . . . . . . . 4 PHE HA . 51104 1
21 . 1 . 1 4 4 PHE HB2 H 1 2.900153191 0.02426347913 . . . . . . . 4 PHE HB2 . 51104 1
22 . 1 . 1 4 4 PHE HB3 H 1 2.900153191 0.02426347913 . . . . . . . 4 PHE HB3 . 51104 1
23 . 1 . 1 4 4 PHE HD1 H 1 6.844062294 0 . . . . . . . 4 PHE HD# . 51104 1
24 . 1 . 1 4 4 PHE HD2 H 1 6.844062294 0 . . . . . . . 4 PHE HD# . 51104 1
25 . 1 . 1 4 4 PHE C C 13 172.4556315 0 . . . . . . . 4 PHE C . 51104 1
26 . 1 . 1 4 4 PHE CA C 13 56.11946938 0.1534863534 . . . . . . . 4 PHE CA . 51104 1
27 . 1 . 1 4 4 PHE CB C 13 40.86970364 0.0792503708 . . . . . . . 4 PHE CB . 51104 1
28 . 1 . 1 4 4 PHE N N 15 121.1620083 0.03668681972 . . . . . . . 4 PHE N . 51104 1
29 . 1 . 1 5 5 VAL H H 1 8.213084133 0.003304422938 . . . . . . . 5 VAL H . 51104 1
30 . 1 . 1 5 5 VAL HA H 1 4.8935796 0.04845283766 . . . . . . . 5 VAL HA . 51104 1
31 . 1 . 1 5 5 VAL HB H 1 1.694184461 0.04117091135 . . . . . . . 5 VAL HB . 51104 1
32 . 1 . 1 5 5 VAL HG11 H 1 0.6689002096 0.03983941426 . . . . . . . 5 VAL HG1# . 51104 1
33 . 1 . 1 5 5 VAL HG12 H 1 0.6689002096 0.03983941426 . . . . . . . 5 VAL HG1# . 51104 1
34 . 1 . 1 5 5 VAL HG13 H 1 0.6689002096 0.03983941426 . . . . . . . 5 VAL HG1# . 51104 1
35 . 1 . 1 5 5 VAL HG21 H 1 0.6688484916 0.03978509655 . . . . . . . 5 VAL HG2# . 51104 1
36 . 1 . 1 5 5 VAL HG22 H 1 0.6688484916 0.03978509655 . . . . . . . 5 VAL HG2# . 51104 1
37 . 1 . 1 5 5 VAL HG23 H 1 0.6688484916 0.03978509655 . . . . . . . 5 VAL HG2# . 51104 1
38 . 1 . 1 5 5 VAL C C 13 175.302889 0.01598887765 . . . . . . . 5 VAL C . 51104 1
39 . 1 . 1 5 5 VAL CA C 13 59.1074186 0.04850267077 . . . . . . . 5 VAL CA . 51104 1
40 . 1 . 1 5 5 VAL CB C 13 35.05853352 0.1343333602 . . . . . . . 5 VAL CB . 51104 1
41 . 1 . 1 5 5 VAL CG1 C 13 20.56514788 0.1666893866 . . . . . . . 5 VAL CG1 . 51104 1
42 . 1 . 1 5 5 VAL CG2 C 13 20.43538065 0.05115431252 . . . . . . . 5 VAL CG2 . 51104 1
43 . 1 . 1 5 5 VAL N N 15 117.9296724 0.1632989895 . . . . . . . 5 VAL N . 51104 1
44 . 1 . 1 6 6 CYS H H 1 8.99041239 0.004280053906 . . . . . . . 6 CYS H . 51104 1
45 . 1 . 1 6 6 CYS HA H 1 4.258367599 0.0305402003 . . . . . . . 6 CYS HA . 51104 1
46 . 1 . 1 6 6 CYS HB2 H 1 3.17153399 0.1245879175 . . . . . . . 6 CYS HB2 . 51104 1
47 . 1 . 1 6 6 CYS HB3 H 1 3.051750155 0.1151082815 . . . . . . . 6 CYS HB3 . 51104 1
48 . 1 . 1 6 6 CYS C C 13 177.3803924 0.00885173766 . . . . . . . 6 CYS C . 51104 1
49 . 1 . 1 6 6 CYS CA C 13 59.88918504 0.09901607335 . . . . . . . 6 CYS CA . 51104 1
50 . 1 . 1 6 6 CYS CB C 13 31.79801935 0.1010097357 . . . . . . . 6 CYS CB . 51104 1
51 . 1 . 1 6 6 CYS N N 15 126.9303386 0.03982155633 . . . . . . . 6 CYS N . 51104 1
52 . 1 . 1 7 7 ASP H H 1 8.761391943 0.007529103703 . . . . . . . 7 ASP H . 51104 1
53 . 1 . 1 7 7 ASP HA H 1 4.296564321 0.03618460182 . . . . . . . 7 ASP HA . 51104 1
54 . 1 . 1 7 7 ASP HB2 H 1 2.492000995 0.02475428119 . . . . . . . 7 ASP HB2 . 51104 1
55 . 1 . 1 7 7 ASP HB3 H 1 2.629698644 0.02500191737 . . . . . . . 7 ASP HB3 . 51104 1
56 . 1 . 1 7 7 ASP C C 13 175.8256809 0.005459491522 . . . . . . . 7 ASP C . 51104 1
57 . 1 . 1 7 7 ASP CA C 13 55.93042359 0.047798683 . . . . . . . 7 ASP CA . 51104 1
58 . 1 . 1 7 7 ASP CB C 13 40.57021606 0.08086414725 . . . . . . . 7 ASP CB . 51104 1
59 . 1 . 1 7 7 ASP N N 15 128.5510536 0.03827758292 . . . . . . . 7 ASP N . 51104 1
60 . 1 . 1 8 8 SER H H 1 8.645408027 0.007204826424 . . . . . . . 8 SER H . 51104 1
61 . 1 . 1 8 8 SER HA H 1 4.28530124 0.03545504584 . . . . . . . 8 SER HA . 51104 1
62 . 1 . 1 8 8 SER HB2 H 1 3.777662733 0.03637413682 . . . . . . . 8 SER HB2 . 51104 1
63 . 1 . 1 8 8 SER HB3 H 1 2.866908406 0.03329062787 . . . . . . . 8 SER HB3 . 51104 1
64 . 1 . 1 8 8 SER C C 13 175.760259 0 . . . . . . . 8 SER C . 51104 1
65 . 1 . 1 8 8 SER CA C 13 59.74177998 0.06657515685 . . . . . . . 8 SER CA . 51104 1
66 . 1 . 1 8 8 SER CB C 13 62.46806982 0.08625607024 . . . . . . . 8 SER CB . 51104 1
67 . 1 . 1 8 8 SER N N 15 115.2442719 0.02820080052 . . . . . . . 8 SER N . 51104 1
68 . 1 . 1 9 9 CYS H H 1 8.76730294 0.004399511883 . . . . . . . 9 CYS H . 51104 1
69 . 1 . 1 9 9 CYS HA H 1 4.844028791 0.02573978442 . . . . . . . 9 CYS HA . 51104 1
70 . 1 . 1 9 9 CYS HB2 H 1 3.15695484 0.02465235038 . . . . . . . 9 CYS HB2 . 51104 1
71 . 1 . 1 9 9 CYS HB3 H 1 2.538496717 0.04153794673 . . . . . . . 9 CYS HB3 . 51104 1
72 . 1 . 1 9 9 CYS C C 13 176.6378596 0.002739095418 . . . . . . . 9 CYS C . 51104 1
73 . 1 . 1 9 9 CYS CA C 13 59.19127152 0.05263987166 . . . . . . . 9 CYS CA . 51104 1
74 . 1 . 1 9 9 CYS CB C 13 32.4427994 0.09090821579 . . . . . . . 9 CYS CB . 51104 1
75 . 1 . 1 9 9 CYS N N 15 120.0299521 0.1308998463 . . . . . . . 9 CYS N . 51104 1
76 . 1 . 1 10 10 ARG H H 1 7.801510924 0.00657322602 . . . . . . . 10 ARG H . 51104 1
77 . 1 . 1 10 10 ARG HA H 1 4.031331495 0.03522334975 . . . . . . . 10 ARG HA . 51104 1
78 . 1 . 1 10 10 ARG HB2 H 1 1.930020198 0.03583875496 . . . . . . . 10 ARG HB2 . 51104 1
79 . 1 . 1 10 10 ARG HB3 H 1 2.144501187 0.03834333793 . . . . . . . 10 ARG HB3 . 51104 1
80 . 1 . 1 10 10 ARG HG2 H 1 1.369300096 0.02888609032 . . . . . . . 10 ARG HG2 . 51104 1
81 . 1 . 1 10 10 ARG HG3 H 1 1.469867915 0.03042807081 . . . . . . . 10 ARG HG3 . 51104 1
82 . 1 . 1 10 10 ARG HD2 H 1 3.015844336 0.04390810338 . . . . . . . 10 ARG HD2 . 51104 1
83 . 1 . 1 10 10 ARG HD3 H 1 3.041845138 0.04098464922 . . . . . . . 10 ARG HD3 . 51104 1
84 . 1 . 1 10 10 ARG C C 13 175.0460762 0.01229918268 . . . . . . . 10 ARG C . 51104 1
85 . 1 . 1 10 10 ARG CA C 13 57.70075509 0.04149292562 . . . . . . . 10 ARG CA . 51104 1
86 . 1 . 1 10 10 ARG CB C 13 25.94178664 0.05381979001 . . . . . . . 10 ARG CB . 51104 1
87 . 1 . 1 10 10 ARG CG C 13 27.09256329 0.08639604925 . . . . . . . 10 ARG CG . 51104 1
88 . 1 . 1 10 10 ARG CD C 13 42.5860781 0.07238425815 . . . . . . . 10 ARG CD . 51104 1
89 . 1 . 1 10 10 ARG N N 15 116.5776228 0.2767248302 . . . . . . . 10 ARG N . 51104 1
90 . 1 . 1 11 11 ALA H H 1 8.660614815 0.003763255811 . . . . . . . 11 ALA H . 51104 1
91 . 1 . 1 11 11 ALA HA H 1 4.011580136 0.03628484919 . . . . . . . 11 ALA HA . 51104 1
92 . 1 . 1 11 11 ALA HB1 H 1 1.2116544 0.0380016141 . . . . . . . 11 ALA HB# . 51104 1
93 . 1 . 1 11 11 ALA HB2 H 1 1.2116544 0.0380016141 . . . . . . . 11 ALA HB# . 51104 1
94 . 1 . 1 11 11 ALA HB3 H 1 1.2116544 0.0380016141 . . . . . . . 11 ALA HB# . 51104 1
95 . 1 . 1 11 11 ALA C C 13 175.5234495 0.01032171595 . . . . . . . 11 ALA C . 51104 1
96 . 1 . 1 11 11 ALA CA C 13 53.56719611 0.04251002482 . . . . . . . 11 ALA CA . 51104 1
97 . 1 . 1 11 11 ALA CB C 13 20.28638604 0.0355885696 . . . . . . . 11 ALA CB . 51104 1
98 . 1 . 1 11 11 ALA N N 15 125.8954455 0.449173486 . . . . . . . 11 ALA N . 51104 1
99 . 1 . 1 12 12 GLN H H 1 7.870872037 0.008890635777 . . . . . . . 12 GLN H . 51104 1
100 . 1 . 1 12 12 GLN HA H 1 4.670020586 0.03797630789 . . . . . . . 12 GLN HA . 51104 1
101 . 1 . 1 12 12 GLN HB2 H 1 1.671501948 0.03010652679 . . . . . . . 12 GLN HB2 . 51104 1
102 . 1 . 1 12 12 GLN HB3 H 1 1.812647521 0.03288716295 . . . . . . . 12 GLN HB3 . 51104 1
103 . 1 . 1 12 12 GLN HG2 H 1 2.145595312 0.07848719997 . . . . . . . 12 GLN HG2 . 51104 1
104 . 1 . 1 12 12 GLN HG3 H 1 2.175175246 0.07772858846 . . . . . . . 12 GLN HG3 . 51104 1
105 . 1 . 1 12 12 GLN HE21 H 1 6.952961926 0.3393664029 . . . . . . . 12 GLN HE21 . 51104 1
106 . 1 . 1 12 12 GLN HE22 H 1 7.10654795 0.359634906 . . . . . . . 12 GLN HE22 . 51104 1
107 . 1 . 1 12 12 GLN C C 13 175.0549263 0.0475747831 . . . . . . . 12 GLN C . 51104 1
108 . 1 . 1 12 12 GLN CA C 13 54.54766555 0.06229338311 . . . . . . . 12 GLN CA . 51104 1
109 . 1 . 1 12 12 GLN CB C 13 30.83911385 0.05919663088 . . . . . . . 12 GLN CB . 51104 1
110 . 1 . 1 12 12 GLN CG C 13 33.83805365 0.0523363609 . . . . . . . 12 GLN CG . 51104 1
111 . 1 . 1 12 12 GLN N N 15 118.2322455 0.3407777991 . . . . . . . 12 GLN N . 51104 1
112 . 1 . 1 12 12 GLN NE2 N 15 111.9813458 0.03209037567 . . . . . . . 12 GLN NE2 . 51104 1
113 . 1 . 1 13 13 TYR H H 1 8.441655781 0.004437129253 . . . . . . . 13 TYR H . 51104 1
114 . 1 . 1 13 13 TYR HA H 1 4.527957389 0.03542274932 . . . . . . . 13 TYR HA . 51104 1
115 . 1 . 1 13 13 TYR HB2 H 1 2.5601 0.6134845848 . . . . . . . 13 TYR HB2 . 51104 1
116 . 1 . 1 13 13 TYR HB3 H 1 2.090573363 0.6039784068 . . . . . . . 13 TYR HB3 . 51104 1
117 . 1 . 1 13 13 TYR HD1 H 1 6.704555556 0.01214368708 . . . . . . . 13 TYR HD# . 51104 1
118 . 1 . 1 13 13 TYR HD2 H 1 6.704555556 0.01214368708 . . . . . . . 13 TYR HD# . 51104 1
119 . 1 . 1 13 13 TYR HE1 H 1 6.622555556 0.003022549002 . . . . . . . 13 TYR HE# . 51104 1
120 . 1 . 1 13 13 TYR HE2 H 1 6.622555556 0.003022549002 . . . . . . . 13 TYR HE# . 51104 1
121 . 1 . 1 13 13 TYR C C 13 173.8687722 0.0116613578 . . . . . . . 13 TYR C . 51104 1
122 . 1 . 1 13 13 TYR CA C 13 56.66365651 0.08329400224 . . . . . . . 13 TYR CA . 51104 1
123 . 1 . 1 13 13 TYR CB C 13 42.69015845 0.02729975825 . . . . . . . 13 TYR CB . 51104 1
124 . 1 . 1 13 13 TYR N N 15 121.0638001 0.3278379607 . . . . . . . 13 TYR N . 51104 1
125 . 1 . 1 14 14 MET H H 1 8.252490949 0.007819533873 . . . . . . . 14 MET H . 51104 1
126 . 1 . 1 14 14 MET HA H 1 5.181967795 0.04021053843 . . . . . . . 14 MET HA . 51104 1
127 . 1 . 1 14 14 MET HB2 H 1 1.844239469 0.03650565304 . . . . . . . 14 MET HB2 . 51104 1
128 . 1 . 1 14 14 MET HB3 H 1 1.909885481 0.03346651494 . . . . . . . 14 MET HB3 . 51104 1
129 . 1 . 1 14 14 MET HG2 H 1 2.381173446 0.03429292626 . . . . . . . 14 MET HG2 . 51104 1
130 . 1 . 1 14 14 MET HG3 H 1 2.41722194 0.03496157647 . . . . . . . 14 MET HG3 . 51104 1
131 . 1 . 1 14 14 MET C C 13 175.2937413 0.02526319438 . . . . . . . 14 MET C . 51104 1
132 . 1 . 1 14 14 MET CA C 13 54.61816416 0.05610579986 . . . . . . . 14 MET CA . 51104 1
133 . 1 . 1 14 14 MET CB C 13 34.84254358 0.1233772746 . . . . . . . 14 MET CB . 51104 1
134 . 1 . 1 14 14 MET CG C 13 31.89015943 0.04952375211 . . . . . . . 14 MET CG . 51104 1
135 . 1 . 1 14 14 MET N N 15 119.4363202 0.3595915341 . . . . . . . 14 MET N . 51104 1
136 . 1 . 1 15 15 ILE H H 1 8.541337861 0.002682885318 . . . . . . . 15 ILE H . 51104 1
137 . 1 . 1 15 15 ILE HA H 1 4.442595856 0.03310688047 . . . . . . . 15 ILE HA . 51104 1
138 . 1 . 1 15 15 ILE HB H 1 1.747547958 0.03395754568 . . . . . . . 15 ILE HB . 51104 1
139 . 1 . 1 15 15 ILE HG12 H 1 1.18298256 0.03373299105 . . . . . . . 15 ILE HG12 . 51104 1
140 . 1 . 1 15 15 ILE HG13 H 1 1.18298256 0.03373299105 . . . . . . . 15 ILE HG13 . 51104 1
141 . 1 . 1 15 15 ILE HG21 H 1 0.8170383696 0.03688430206 . . . . . . . 15 ILE HG2# . 51104 1
142 . 1 . 1 15 15 ILE HG22 H 1 0.8170383696 0.03688430206 . . . . . . . 15 ILE HG2# . 51104 1
143 . 1 . 1 15 15 ILE HG23 H 1 0.8170383696 0.03688430206 . . . . . . . 15 ILE HG2# . 51104 1
144 . 1 . 1 15 15 ILE HD11 H 1 0.678959626 0.0365504907 . . . . . . . 15 ILE HD1# . 51104 1
145 . 1 . 1 15 15 ILE HD12 H 1 0.678959626 0.0365504907 . . . . . . . 15 ILE HD1# . 51104 1
146 . 1 . 1 15 15 ILE HD13 H 1 0.678959626 0.0365504907 . . . . . . . 15 ILE HD1# . 51104 1
147 . 1 . 1 15 15 ILE C C 13 173.5807951 0.008564084994 . . . . . . . 15 ILE C . 51104 1
148 . 1 . 1 15 15 ILE CA C 13 60.10209413 0.07196792282 . . . . . . . 15 ILE CA . 51104 1
149 . 1 . 1 15 15 ILE CB C 13 41.86781638 0.07522752434 . . . . . . . 15 ILE CB . 51104 1
150 . 1 . 1 15 15 ILE CG1 C 13 27.65167861 0.04527723241 . . . . . . . 15 ILE CG1 . 51104 1
151 . 1 . 1 15 15 ILE CG2 C 13 16.5141631 0.05881760029 . . . . . . . 15 ILE CG2 . 51104 1
152 . 1 . 1 15 15 ILE CD1 C 13 13.71380182 0.1017512812 . . . . . . . 15 ILE CD1 . 51104 1
153 . 1 . 1 15 15 ILE N N 15 122.3078562 0.1038101058 . . . . . . . 15 ILE N . 51104 1
154 . 1 . 1 16 16 SER H H 1 8.568122461 0.003525785267 . . . . . . . 16 SER H . 51104 1
155 . 1 . 1 16 16 SER HA H 1 4.24681972 0.01082310507 . . . . . . . 16 SER HA . 51104 1
156 . 1 . 1 16 16 SER HB2 H 1 3.834045236 0.008704799343 . . . . . . . 16 SER HB2 . 51104 1
157 . 1 . 1 16 16 SER HB3 H 1 3.911215459 0.003053634729 . . . . . . . 16 SER HB3 . 51104 1
158 . 1 . 1 16 16 SER C C 13 175.912168 0 . . . . . . . 16 SER C . 51104 1
159 . 1 . 1 16 16 SER CA C 13 59.14575307 0.06196344415 . . . . . . . 16 SER CA . 51104 1
160 . 1 . 1 16 16 SER CB C 13 63.30279919 0.04293226427 . . . . . . . 16 SER CB . 51104 1
161 . 1 . 1 16 16 SER N N 15 122.3404778 0.001025048622 . . . . . . . 16 SER N . 51104 1
162 . 1 . 1 17 17 ASP H H 1 8.654892399 0.009741855193 . . . . . . . 17 ASP H . 51104 1
163 . 1 . 1 17 17 ASP HA H 1 4.258531176 0.04192780231 . . . . . . . 17 ASP HA . 51104 1
164 . 1 . 1 17 17 ASP HB2 H 1 2.592529219 0.03371710464 . . . . . . . 17 ASP HB2 . 51104 1
165 . 1 . 1 17 17 ASP HB3 H 1 2.495609241 0.02374290835 . . . . . . . 17 ASP HB3 . 51104 1
166 . 1 . 1 17 17 ASP C C 13 177.669525 0.02902621241 . . . . . . . 17 ASP C . 51104 1
167 . 1 . 1 17 17 ASP CA C 13 57.42603023 0.02684547563 . . . . . . . 17 ASP CA . 51104 1
168 . 1 . 1 17 17 ASP CB C 13 40.30754165 0.07409761545 . . . . . . . 17 ASP CB . 51104 1
169 . 1 . 1 17 17 ASP N N 15 124.5908073 0.3412119412 . . . . . . . 17 ASP N . 51104 1
170 . 1 . 1 18 18 ASP H H 1 8.316235318 0.008946899532 . . . . . . . 18 ASP H . 51104 1
171 . 1 . 1 18 18 ASP HA H 1 4.259443822 0.03704070287 . . . . . . . 18 ASP HA . 51104 1
172 . 1 . 1 18 18 ASP HB2 H 1 2.566301614 0.02966477628 . . . . . . . 18 ASP HB2 . 51104 1
173 . 1 . 1 18 18 ASP HB3 H 1 2.566301614 0.02966477628 . . . . . . . 18 ASP HB3 . 51104 1
174 . 1 . 1 18 18 ASP C C 13 176.8879543 0.0003143076749 . . . . . . . 18 ASP C . 51104 1
175 . 1 . 1 18 18 ASP CA C 13 55.1330063 0.05128906112 . . . . . . . 18 ASP CA . 51104 1
176 . 1 . 1 18 18 ASP CB C 13 39.52675837 0.02831918262 . . . . . . . 18 ASP CB . 51104 1
177 . 1 . 1 18 18 ASP N N 15 116.6164109 0.1328007966 . . . . . . . 18 ASP N . 51104 1
178 . 1 . 1 19 19 LYS H H 1 7.654633554 0.004710336023 . . . . . . . 19 LYS H . 51104 1
179 . 1 . 1 19 19 LYS HA H 1 4.166346363 0.03690168124 . . . . . . . 19 LYS HA . 51104 1
180 . 1 . 1 19 19 LYS HB2 H 1 1.857523729 0.03633481658 . . . . . . . 19 LYS HB2 . 51104 1
181 . 1 . 1 19 19 LYS HB3 H 1 1.857523729 0.03633481658 . . . . . . . 19 LYS HB3 . 51104 1
182 . 1 . 1 19 19 LYS HG2 H 1 1.330189505 0.01173369211 . . . . . . . 19 LYS HG2 . 51104 1
183 . 1 . 1 19 19 LYS HG3 H 1 1.380250807 0.08332488472 . . . . . . . 19 LYS HG3 . 51104 1
184 . 1 . 1 19 19 LYS HD2 H 1 1.765222854 0.03298842556 . . . . . . . 19 LYS HD2 . 51104 1
185 . 1 . 1 19 19 LYS HD3 H 1 1.765222854 0.03298842556 . . . . . . . 19 LYS HD3 . 51104 1
186 . 1 . 1 19 19 LYS HE2 H 1 2.895596814 0.02399461721 . . . . . . . 19 LYS HE2 . 51104 1
187 . 1 . 1 19 19 LYS HE3 H 1 2.895596814 0.02399461721 . . . . . . . 19 LYS HE3 . 51104 1
188 . 1 . 1 19 19 LYS C C 13 176.1240403 0.001942740153 . . . . . . . 19 LYS C . 51104 1
189 . 1 . 1 19 19 LYS CA C 13 55.65879634 0.05481987331 . . . . . . . 19 LYS CA . 51104 1
190 . 1 . 1 19 19 LYS CB C 13 32.23406137 0.04907314635 . . . . . . . 19 LYS CB . 51104 1
191 . 1 . 1 19 19 LYS CG C 13 25.01171505 0.06285135508 . . . . . . . 19 LYS CG . 51104 1
192 . 1 . 1 19 19 LYS CD C 13 28.80520734 0.05461529331 . . . . . . . 19 LYS CD . 51104 1
193 . 1 . 1 19 19 LYS CE C 13 42.09666536 0.08566964838 . . . . . . . 19 LYS CE . 51104 1
194 . 1 . 1 19 19 LYS N N 15 117.9807267 0.01724520715 . . . . . . . 19 LYS N . 51104 1
195 . 1 . 1 20 20 ILE H H 1 7.233463275 0.008889544834 . . . . . . . 20 ILE H . 51104 1
196 . 1 . 1 20 20 ILE HA H 1 3.702948948 0.03869541649 . . . . . . . 20 ILE HA . 51104 1
197 . 1 . 1 20 20 ILE HB H 1 1.804381521 0.03831893187 . . . . . . . 20 ILE HB . 51104 1
198 . 1 . 1 20 20 ILE HG12 H 1 1.522666881 0.03784241993 . . . . . . . 20 ILE HG12 . 51104 1
199 . 1 . 1 20 20 ILE HG13 H 1 1.522666881 0.03784241993 . . . . . . . 20 ILE HG13 . 51104 1
200 . 1 . 1 20 20 ILE HG21 H 1 0.7646036498 0.03274658797 . . . . . . . 20 ILE HG2# . 51104 1
201 . 1 . 1 20 20 ILE HG22 H 1 0.7646036498 0.03274658797 . . . . . . . 20 ILE HG2# . 51104 1
202 . 1 . 1 20 20 ILE HG23 H 1 0.7646036498 0.03274658797 . . . . . . . 20 ILE HG2# . 51104 1
203 . 1 . 1 20 20 ILE HD11 H 1 0.6659124528 0.03942829906 . . . . . . . 20 ILE HD1# . 51104 1
204 . 1 . 1 20 20 ILE HD12 H 1 0.6659124528 0.03942829906 . . . . . . . 20 ILE HD1# . 51104 1
205 . 1 . 1 20 20 ILE HD13 H 1 0.6659124528 0.03942829906 . . . . . . . 20 ILE HD1# . 51104 1
206 . 1 . 1 20 20 ILE C C 13 175.5622438 0.01387638668 . . . . . . . 20 ILE C . 51104 1
207 . 1 . 1 20 20 ILE CA C 13 62.00272229 0.05911561014 . . . . . . . 20 ILE CA . 51104 1
208 . 1 . 1 20 20 ILE CB C 13 38.0008123 0.06182691976 . . . . . . . 20 ILE CB . 51104 1
209 . 1 . 1 20 20 ILE CG1 C 13 27.28305892 0.08400939447 . . . . . . . 20 ILE CG1 . 51104 1
210 . 1 . 1 20 20 ILE CG2 C 13 17.41212964 0.08330599821 . . . . . . . 20 ILE CG2 . 51104 1
211 . 1 . 1 20 20 ILE CD1 C 13 13.89454051 0.1399222649 . . . . . . . 20 ILE CD1 . 51104 1
212 . 1 . 1 20 20 ILE N N 15 120.0602923 0.06861544769 . . . . . . . 20 ILE N . 51104 1
213 . 1 . 1 21 21 GLY H H 1 7.505841474 0.006626545997 . . . . . . . 21 GLY H . 51104 1
214 . 1 . 1 21 21 GLY HA2 H 1 4.08020346 0.03929033213 . . . . . . . 21 GLY HA2 . 51104 1
215 . 1 . 1 21 21 GLY HA3 H 1 3.954342505 0.03262622538 . . . . . . . 21 GLY HA3 . 51104 1
216 . 1 . 1 21 21 GLY C C 13 172.9860638 0 . . . . . . . 21 GLY C . 51104 1
217 . 1 . 1 21 21 GLY CA C 13 44.75567503 0.004247973989 . . . . . . . 21 GLY CA . 51104 1
218 . 1 . 1 21 21 GLY N N 15 110.6241383 0.09613967256 . . . . . . . 21 GLY N . 51104 1
219 . 1 . 1 22 22 PRO HA H 1 4.249154184 0.0009192077121 . . . . . . . 22 PRO HA . 51104 1
220 . 1 . 1 22 22 PRO HB2 H 1 2.299035223 0.006829526833 . . . . . . . 22 PRO HB2 . 51104 1
221 . 1 . 1 22 22 PRO HB3 H 1 1.895445855 0.01850209294 . . . . . . . 22 PRO HB3 . 51104 1
222 . 1 . 1 22 22 PRO HG2 H 1 1.933968906 0.0008314919333 . . . . . . . 22 PRO HG2 . 51104 1
223 . 1 . 1 22 22 PRO HG3 H 1 1.992386629 0.001396574138 . . . . . . . 22 PRO HG3 . 51104 1
224 . 1 . 1 22 22 PRO C C 13 177.9901718 0 . . . . . . . 22 PRO C . 51104 1
225 . 1 . 1 22 22 PRO CA C 13 64.57114761 0.06151338139 . . . . . . . 22 PRO CA . 51104 1
226 . 1 . 1 22 22 PRO CB C 13 32.28293079 0.08361640685 . . . . . . . 22 PRO CB . 51104 1
227 . 1 . 1 22 22 PRO CG C 13 27.22581858 0.04444288402 . . . . . . . 22 PRO CG . 51104 1
228 . 1 . 1 22 22 PRO CD C 13 49.53451936 0.1632134429 . . . . . . . 22 PRO CD . 51104 1
229 . 1 . 1 23 23 LYS H H 1 8.389562807 0.01015934021 . . . . . . . 23 LYS H . 51104 1
230 . 1 . 1 23 23 LYS HA H 1 4.246441169 0.01569221519 . . . . . . . 23 LYS HA . 51104 1
231 . 1 . 1 23 23 LYS HB2 H 1 1.822239865 0.0226603527 . . . . . . . 23 LYS HB2 . 51104 1
232 . 1 . 1 23 23 LYS HB3 H 1 1.822239865 0.0226603527 . . . . . . . 23 LYS HB3 . 51104 1
233 . 1 . 1 23 23 LYS HG2 H 1 1.316609445 0.04454808738 . . . . . . . 23 LYS HG2 . 51104 1
234 . 1 . 1 23 23 LYS HG3 H 1 1.316609445 0.04454808738 . . . . . . . 23 LYS HG3 . 51104 1
235 . 1 . 1 23 23 LYS HD2 H 1 1.610249319 0.0223004663 . . . . . . . 23 LYS HD2 . 51104 1
236 . 1 . 1 23 23 LYS HD3 H 1 1.610249319 0.0223004663 . . . . . . . 23 LYS HD3 . 51104 1
237 . 1 . 1 23 23 LYS HE2 H 1 2.835168168 0.003868349868 . . . . . . . 23 LYS HE2 . 51104 1
238 . 1 . 1 23 23 LYS HE3 H 1 2.835168168 0.003868349869 . . . . . . . 23 LYS HE3 . 51104 1
239 . 1 . 1 23 23 LYS C C 13 177.3568381 0.01142677571 . . . . . . . 23 LYS C . 51104 1
240 . 1 . 1 23 23 LYS CA C 13 55.49469514 0.06348666746 . . . . . . . 23 LYS CA . 51104 1
241 . 1 . 1 23 23 LYS CB C 13 32.68335078 0.1200356876 . . . . . . . 23 LYS CB . 51104 1
242 . 1 . 1 23 23 LYS CG C 13 24.86163711 0.05014473176 . . . . . . . 23 LYS CG . 51104 1
243 . 1 . 1 23 23 LYS CD C 13 28.78516782 0.07894764249 . . . . . . . 23 LYS CD . 51104 1
244 . 1 . 1 23 23 LYS CE C 13 42.30366601 0.06621761603 . . . . . . . 23 LYS CE . 51104 1
245 . 1 . 1 23 23 LYS N N 15 115.7906824 0.3321470557 . . . . . . . 23 LYS N . 51104 1
246 . 1 . 1 24 24 GLY H H 1 7.711712796 0.004503065505 . . . . . . . 24 GLY H . 51104 1
247 . 1 . 1 24 24 GLY HA2 H 1 3.811900049 0.2795828177 . . . . . . . 24 GLY HA2 . 51104 1
248 . 1 . 1 24 24 GLY HA3 H 1 4.021283423 0.281421974 . . . . . . . 24 GLY HA3 . 51104 1
249 . 1 . 1 24 24 GLY C C 13 172.4168302 0.009988687182 . . . . . . . 24 GLY C . 51104 1
250 . 1 . 1 24 24 GLY CA C 13 44.60916028 0.01388879444 . . . . . . . 24 GLY CA . 51104 1
251 . 1 . 1 24 24 GLY N N 15 107.8988478 0.1545822323 . . . . . . . 24 GLY N . 51104 1
252 . 1 . 1 25 25 VAL H H 1 8.268929602 0.002010376194 . . . . . . . 25 VAL H . 51104 1
253 . 1 . 1 25 25 VAL HA H 1 4.411968012 0.03696875926 . . . . . . . 25 VAL HA . 51104 1
254 . 1 . 1 25 25 VAL HB H 1 1.909747097 0.04238276772 . . . . . . . 25 VAL HB . 51104 1
255 . 1 . 1 25 25 VAL HG11 H 1 0.7008914495 0.02776279038 . . . . . . . 25 VAL HG1# . 51104 1
256 . 1 . 1 25 25 VAL HG12 H 1 0.7008914495 0.02776279038 . . . . . . . 25 VAL HG1# . 51104 1
257 . 1 . 1 25 25 VAL HG13 H 1 0.7008914495 0.02776279038 . . . . . . . 25 VAL HG1# . 51104 1
258 . 1 . 1 25 25 VAL HG21 H 1 0.6840686534 0.02472506966 . . . . . . . 25 VAL HG2# . 51104 1
259 . 1 . 1 25 25 VAL HG22 H 1 0.6840686534 0.02472506966 . . . . . . . 25 VAL HG2# . 51104 1
260 . 1 . 1 25 25 VAL HG23 H 1 0.6840686534 0.02472506966 . . . . . . . 25 VAL HG2# . 51104 1
261 . 1 . 1 25 25 VAL C C 13 172.9763807 0.04158232998 . . . . . . . 25 VAL C . 51104 1
262 . 1 . 1 25 25 VAL CA C 13 60.08592161 0.06476106443 . . . . . . . 25 VAL CA . 51104 1
263 . 1 . 1 25 25 VAL CB C 13 35.19216357 0.1089224972 . . . . . . . 25 VAL CB . 51104 1
264 . 1 . 1 25 25 VAL CG1 C 13 20.915 0.0400424983 . . . . . . . 25 VAL CG1 . 51104 1
265 . 1 . 1 25 25 VAL CG2 C 13 20.69347501 0.1824728321 . . . . . . . 25 VAL CG2 . 51104 1
266 . 1 . 1 25 25 VAL N N 15 116.0018732 0.03467449841 . . . . . . . 25 VAL N . 51104 1
267 . 1 . 1 26 26 LYS H H 1 8.108299588 0.0111883528 . . . . . . . 26 LYS H . 51104 1
268 . 1 . 1 26 26 LYS HA H 1 5.034499834 0.04243676478 . . . . . . . 26 LYS HA . 51104 1
269 . 1 . 1 26 26 LYS HB2 H 1 1.528982375 0.0338136538 . . . . . . . 26 LYS HB2 . 51104 1
270 . 1 . 1 26 26 LYS HB3 H 1 1.528982375 0.0338136538 . . . . . . . 26 LYS HB3 . 51104 1
271 . 1 . 1 26 26 LYS HG2 H 1 1.27839282 0.03062614569 . . . . . . . 26 LYS HG2 . 51104 1
272 . 1 . 1 26 26 LYS HG3 H 1 1.171261601 0.02747305074 . . . . . . . 26 LYS HG3 . 51104 1
273 . 1 . 1 26 26 LYS HD2 H 1 1.43554276 0.01821642155 . . . . . . . 26 LYS HD2 . 51104 1
274 . 1 . 1 26 26 LYS HD3 H 1 1.43195675 0.02230863734 . . . . . . . 26 LYS HD3 . 51104 1
275 . 1 . 1 26 26 LYS HE2 H 1 2.770062743 0.0392648464 . . . . . . . 26 LYS HE2 . 51104 1
276 . 1 . 1 26 26 LYS HE3 H 1 2.770062743 0.0392648464 . . . . . . . 26 LYS HE3 . 51104 1
277 . 1 . 1 26 26 LYS C C 13 176.257109 0.02752540483 . . . . . . . 26 LYS C . 51104 1
278 . 1 . 1 26 26 LYS CA C 13 54.85561656 0.05616775097 . . . . . . . 26 LYS CA . 51104 1
279 . 1 . 1 26 26 LYS CB C 13 33.39959102 0.03314201197 . . . . . . . 26 LYS CB . 51104 1
280 . 1 . 1 26 26 LYS CG C 13 25.11638485 0.05450987235 . . . . . . . 26 LYS CG . 51104 1
281 . 1 . 1 26 26 LYS CD C 13 29.29579118 0.04061123847 . . . . . . . 26 LYS CD . 51104 1
282 . 1 . 1 26 26 LYS CE C 13 42.04866702 0.06756968226 . . . . . . . 26 LYS CE . 51104 1
283 . 1 . 1 26 26 LYS N N 15 124.4405706 0.3731792945 . . . . . . . 26 LYS N . 51104 1
284 . 1 . 1 27 27 VAL H H 1 8.914907255 0.007230615881 . . . . . . . 27 VAL H . 51104 1
285 . 1 . 1 27 27 VAL HA H 1 4.144041821 0.04404948795 . . . . . . . 27 VAL HA . 51104 1
286 . 1 . 1 27 27 VAL HB H 1 1.624513084 0.03868178293 . . . . . . . 27 VAL HB . 51104 1
287 . 1 . 1 27 27 VAL HG11 H 1 0.5461610351 0.04193696561 . . . . . . . 27 VAL HG1# . 51104 1
288 . 1 . 1 27 27 VAL HG12 H 1 0.5461610351 0.04193696561 . . . . . . . 27 VAL HG1# . 51104 1
289 . 1 . 1 27 27 VAL HG13 H 1 0.5461610351 0.04193696561 . . . . . . . 27 VAL HG1# . 51104 1
290 . 1 . 1 27 27 VAL HG21 H 1 0.4653640597 0.03921292068 . . . . . . . 27 VAL HG2# . 51104 1
291 . 1 . 1 27 27 VAL HG22 H 1 0.4653640597 0.03921292068 . . . . . . . 27 VAL HG2# . 51104 1
292 . 1 . 1 27 27 VAL HG23 H 1 0.4653640597 0.03921292068 . . . . . . . 27 VAL HG2# . 51104 1
293 . 1 . 1 27 27 VAL C C 13 173.7909498 0.01795822048 . . . . . . . 27 VAL C . 51104 1
294 . 1 . 1 27 27 VAL CA C 13 59.99198884 0.06102501918 . . . . . . . 27 VAL CA . 51104 1
295 . 1 . 1 27 27 VAL CB C 13 35.11317834 0.02673032496 . . . . . . . 27 VAL CB . 51104 1
296 . 1 . 1 27 27 VAL CG1 C 13 20.54323078 0.09656217553 . . . . . . . 27 VAL CG1 . 51104 1
297 . 1 . 1 27 27 VAL CG2 C 13 20.2967142 0.07201838938 . . . . . . . 27 VAL CG2 . 51104 1
298 . 1 . 1 27 27 VAL N N 15 123.3832877 0.3800664626 . . . . . . . 27 VAL N . 51104 1
299 . 1 . 1 28 28 ARG H H 1 8.382994049 0.006835679653 . . . . . . . 28 ARG H . 51104 1
300 . 1 . 1 28 28 ARG HA H 1 4.476021278 0.03250947273 . . . . . . . 28 ARG HA . 51104 1
301 . 1 . 1 28 28 ARG HB2 H 1 1.47307447 0.03415507608 . . . . . . . 28 ARG HB2 . 51104 1
302 . 1 . 1 28 28 ARG HB3 H 1 1.47307447 0.03415507608 . . . . . . . 28 ARG HB3 . 51104 1
303 . 1 . 1 28 28 ARG HG2 H 1 1.251393433 0.03667466138 . . . . . . . 28 ARG HG2 . 51104 1
304 . 1 . 1 28 28 ARG HG3 H 1 1.353083035 0.03403269094 . . . . . . . 28 ARG HG3 . 51104 1
305 . 1 . 1 28 28 ARG HD2 H 1 3.001472523 0.04274689368 . . . . . . . 28 ARG HD2 . 51104 1
306 . 1 . 1 28 28 ARG HD3 H 1 3.001472523 0.04274689368 . . . . . . . 28 ARG HD3 . 51104 1
307 . 1 . 1 28 28 ARG C C 13 175.9069503 0.009348190598 . . . . . . . 28 ARG C . 51104 1
308 . 1 . 1 28 28 ARG CA C 13 54.83833779 0.0372813234 . . . . . . . 28 ARG CA . 51104 1
309 . 1 . 1 28 28 ARG CB C 13 30.67998927 0.04338164082 . . . . . . . 28 ARG CB . 51104 1
310 . 1 . 1 28 28 ARG CG C 13 27.33766605 0.1007109145 . . . . . . . 28 ARG CG . 51104 1
311 . 1 . 1 28 28 ARG CD C 13 43.4100114 0.1190341068 . . . . . . . 28 ARG CD . 51104 1
312 . 1 . 1 28 28 ARG N N 15 125.4441228 0.387287957 . . . . . . . 28 ARG N . 51104 1
313 . 1 . 1 29 29 CYS H H 1 9.298728566 0.00464327756 . . . . . . . 29 CYS H . 51104 1
314 . 1 . 1 29 29 CYS HA H 1 3.931595658 0.04058914233 . . . . . . . 29 CYS HA . 51104 1
315 . 1 . 1 29 29 CYS HB2 H 1 3.230330802 0.01950432465 . . . . . . . 29 CYS HB2 . 51104 1
316 . 1 . 1 29 29 CYS HB3 H 1 3.230330802 0.01950432465 . . . . . . . 29 CYS HB3 . 51104 1
317 . 1 . 1 29 29 CYS C C 13 177.7716066 0.02180114681 . . . . . . . 29 CYS C . 51104 1
318 . 1 . 1 29 29 CYS CA C 13 60.07612823 0.04223167482 . . . . . . . 29 CYS CA . 51104 1
319 . 1 . 1 29 29 CYS CB C 13 30.7605519 0.04634919453 . . . . . . . 29 CYS CB . 51104 1
320 . 1 . 1 29 29 CYS N N 15 129.7867546 0.05697322334 . . . . . . . 29 CYS N . 51104 1
321 . 1 . 1 30 30 LYS H H 1 8.021218203 0.01036660465 . . . . . . . 30 LYS H . 51104 1
322 . 1 . 1 30 30 LYS HA H 1 4.001237955 0.03683829257 . . . . . . . 30 LYS HA . 51104 1
323 . 1 . 1 30 30 LYS HB2 H 1 1.853460073 0.04241023023 . . . . . . . 30 LYS HB2 . 51104 1
324 . 1 . 1 30 30 LYS HB3 H 1 1.85254475 0.04372868915 . . . . . . . 30 LYS HB3 . 51104 1
325 . 1 . 1 30 30 LYS HG2 H 1 1.448311982 0.03852682752 . . . . . . . 30 LYS HG2 . 51104 1
326 . 1 . 1 30 30 LYS HG3 H 1 1.448311982 0.03852682752 . . . . . . . 30 LYS HG3 . 51104 1
327 . 1 . 1 30 30 LYS HD2 H 1 1.637354098 0.0396421705 . . . . . . . 30 LYS HD2 . 51104 1
328 . 1 . 1 30 30 LYS HD3 H 1 1.637354098 0.0396421705 . . . . . . . 30 LYS HD3 . 51104 1
329 . 1 . 1 30 30 LYS HE2 H 1 2.893412696 0.03162251337 . . . . . . . 30 LYS HE2 . 51104 1
330 . 1 . 1 30 30 LYS HE3 H 1 2.893412696 0.03162251337 . . . . . . . 30 LYS HE3 . 51104 1
331 . 1 . 1 30 30 LYS HZ1 H 1 6.722124732 0.006416339375 . . . . . . . 30 LYS HZ# . 51104 1
332 . 1 . 1 30 30 LYS HZ2 H 1 6.722124732 0.006416339375 . . . . . . . 30 LYS HZ# . 51104 1
333 . 1 . 1 30 30 LYS HZ3 H 1 6.722124732 0.006416339375 . . . . . . . 30 LYS HZ# . 51104 1
334 . 1 . 1 30 30 LYS C C 13 176.0795956 0.02524430246 . . . . . . . 30 LYS C . 51104 1
335 . 1 . 1 30 30 LYS CA C 13 58.14866814 0.05429843932 . . . . . . . 30 LYS CA . 51104 1
336 . 1 . 1 30 30 LYS CB C 13 32.59716343 0.1485023803 . . . . . . . 30 LYS CB . 51104 1
337 . 1 . 1 30 30 LYS CG C 13 24.76081695 0.05090266621 . . . . . . . 30 LYS CG . 51104 1
338 . 1 . 1 30 30 LYS CD C 13 29.04098912 0.1071055787 . . . . . . . 30 LYS CD . 51104 1
339 . 1 . 1 30 30 LYS CE C 13 42.18326443 0.1365054548 . . . . . . . 30 LYS CE . 51104 1
340 . 1 . 1 30 30 LYS N N 15 130.7037243 0.1882840498 . . . . . . . 30 LYS N . 51104 1
341 . 1 . 1 31 31 LYS H H 1 8.766897264 0.005162595599 . . . . . . . 31 LYS H . 51104 1
342 . 1 . 1 31 31 LYS HA H 1 4.289881434 0.03862464995 . . . . . . . 31 LYS HA . 51104 1
343 . 1 . 1 31 31 LYS HB2 H 1 2.080766064 0.04223543827 . . . . . . . 31 LYS HB2 . 51104 1
344 . 1 . 1 31 31 LYS HB3 H 1 2.080766064 0.04223543827 . . . . . . . 31 LYS HB3 . 51104 1
345 . 1 . 1 31 31 LYS HG2 H 1 1.305766487 0.0369628747 . . . . . . . 31 LYS HG2 . 51104 1
346 . 1 . 1 31 31 LYS HG3 H 1 1.305766487 0.0369628747 . . . . . . . 31 LYS HG3 . 51104 1
347 . 1 . 1 31 31 LYS HD2 H 1 1.696255585 0.02023368246 . . . . . . . 31 LYS HD2 . 51104 1
348 . 1 . 1 31 31 LYS HD3 H 1 1.696255585 0.02023368246 . . . . . . . 31 LYS HD3 . 51104 1
349 . 1 . 1 31 31 LYS HE2 H 1 2.84791378 0.01575037182 . . . . . . . 31 LYS HE2 . 51104 1
350 . 1 . 1 31 31 LYS HE3 H 1 2.84791378 0.01575037182 . . . . . . . 31 LYS HE3 . 51104 1
351 . 1 . 1 31 31 LYS C C 13 177.6788654 0.01269511305 . . . . . . . 31 LYS C . 51104 1
352 . 1 . 1 31 31 LYS CA C 13 58.01176116 0.04511236504 . . . . . . . 31 LYS CA . 51104 1
353 . 1 . 1 31 31 LYS CB C 13 32.8678137 0.05781474422 . . . . . . . 31 LYS CB . 51104 1
354 . 1 . 1 31 31 LYS CG C 13 24.96348073 0.06913850569 . . . . . . . 31 LYS CG . 51104 1
355 . 1 . 1 31 31 LYS CD C 13 28.79535953 0.1047969852 . . . . . . . 31 LYS CD . 51104 1
356 . 1 . 1 31 31 LYS CE C 13 42.20224759 0.06585378177 . . . . . . . 31 LYS CE . 51104 1
357 . 1 . 1 31 31 LYS N N 15 122.3290771 0.3468654194 . . . . . . . 31 LYS N . 51104 1
358 . 1 . 1 32 32 CYS H H 1 8.651837402 0.003915657347 . . . . . . . 32 CYS H . 51104 1
359 . 1 . 1 32 32 CYS HA H 1 4.984380913 0.04193380876 . . . . . . . 32 CYS HA . 51104 1
360 . 1 . 1 32 32 CYS HB2 H 1 3.240973254 0.04040025584 . . . . . . . 32 CYS HB2 . 51104 1
361 . 1 . 1 32 32 CYS HB3 H 1 2.485293506 0.03545234625 . . . . . . . 32 CYS HB3 . 51104 1
362 . 1 . 1 32 32 CYS C C 13 177.0807462 0.0168280228 . . . . . . . 32 CYS C . 51104 1
363 . 1 . 1 32 32 CYS CA C 13 58.51449562 0.08651822015 . . . . . . . 32 CYS CA . 51104 1
364 . 1 . 1 32 32 CYS CB C 13 32.98419498 0.04001681308 . . . . . . . 32 CYS CB . 51104 1
365 . 1 . 1 32 32 CYS N N 15 119.2090446 0.3073511312 . . . . . . . 32 CYS N . 51104 1
366 . 1 . 1 33 33 GLY H H 1 7.790552714 0.003169503919 . . . . . . . 33 GLY H . 51104 1
367 . 1 . 1 33 33 GLY HA2 H 1 3.833978907 0.2502024218 . . . . . . . 33 GLY HA2 . 51104 1
368 . 1 . 1 33 33 GLY HA3 H 1 3.995756037 0.2583414553 . . . . . . . 33 GLY HA3 . 51104 1
369 . 1 . 1 33 33 GLY C C 13 173.2071108 0.007194094782 . . . . . . . 33 GLY C . 51104 1
370 . 1 . 1 33 33 GLY CA C 13 46.04204288 0.05749130477 . . . . . . . 33 GLY CA . 51104 1
371 . 1 . 1 33 33 GLY N N 15 113.211487 0.3631517768 . . . . . . . 33 GLY N . 51104 1
372 . 1 . 1 34 34 HIS H H 1 8.8240643 0.003327956158 . . . . . . . 34 HIS H . 51104 1
373 . 1 . 1 34 34 HIS HA H 1 4.432543046 0.02993324274 . . . . . . . 34 HIS HA . 51104 1
374 . 1 . 1 34 34 HIS HB2 H 1 3.142758324 0.0349001774 . . . . . . . 34 HIS HB2 . 51104 1
375 . 1 . 1 34 34 HIS HB3 H 1 3.142758324 0.0349001774 . . . . . . . 34 HIS HB3 . 51104 1
376 . 1 . 1 34 34 HIS HD2 H 1 7.105629659 0.001084351855 . . . . . . . 34 HIS HD2 . 51104 1
377 . 1 . 1 34 34 HIS C C 13 174.5650936 0.005832713909 . . . . . . . 34 HIS C . 51104 1
378 . 1 . 1 34 34 HIS CA C 13 57.4769602 0.05847544414 . . . . . . . 34 HIS CA . 51104 1
379 . 1 . 1 34 34 HIS CB C 13 32.58608709 0.07725547443 . . . . . . . 34 HIS CB . 51104 1
380 . 1 . 1 34 34 HIS N N 15 124.5540324 0.02455346312 . . . . . . . 34 HIS N . 51104 1
381 . 1 . 1 35 35 THR H H 1 7.694211007 0.01532403281 . . . . . . . 35 THR H . 51104 1
382 . 1 . 1 35 35 THR HA H 1 4.29803405 0.03566818355 . . . . . . . 35 THR HA . 51104 1
383 . 1 . 1 35 35 THR HB H 1 3.743997996 0.03190052344 . . . . . . . 35 THR HB . 51104 1
384 . 1 . 1 35 35 THR HG21 H 1 0.8367904009 0.03843175507 . . . . . . . 35 THR HG2# . 51104 1
385 . 1 . 1 35 35 THR HG22 H 1 0.8367904009 0.03843175507 . . . . . . . 35 THR HG2# . 51104 1
386 . 1 . 1 35 35 THR HG23 H 1 0.8367904009 0.03843175507 . . . . . . . 35 THR HG2# . 51104 1
387 . 1 . 1 35 35 THR C C 13 172.8484197 0 . . . . . . . 35 THR C . 51104 1
388 . 1 . 1 35 35 THR CA C 13 63.4251545 0.06948338007 . . . . . . . 35 THR CA . 51104 1
389 . 1 . 1 35 35 THR CB C 13 68.52880223 0.06775475773 . . . . . . . 35 THR CB . 51104 1
390 . 1 . 1 35 35 THR CG2 C 13 20.44270265 0.06047683481 . . . . . . . 35 THR CG2 . 51104 1
391 . 1 . 1 35 35 THR N N 15 121.6705134 0.3846975718 . . . . . . . 35 THR N . 51104 1
392 . 1 . 1 36 36 ILE H H 1 9.009962613 0.004706014829 . . . . . . . 36 ILE H . 51104 1
393 . 1 . 1 36 36 ILE HA H 1 4.061426285 0.03874836894 . . . . . . . 36 ILE HA . 51104 1
394 . 1 . 1 36 36 ILE HB H 1 1.633717232 0.03520005343 . . . . . . . 36 ILE HB . 51104 1
395 . 1 . 1 36 36 ILE HG12 H 1 1.213764562 0.02843541159 . . . . . . . 36 ILE HG12 . 51104 1
396 . 1 . 1 36 36 ILE HG13 H 1 1.213764562 0.02843541159 . . . . . . . 36 ILE HG13 . 51104 1
397 . 1 . 1 36 36 ILE HG21 H 1 0.8431195885 0.02445958269 . . . . . . . 36 ILE HG2# . 51104 1
398 . 1 . 1 36 36 ILE HG22 H 1 0.8431195885 0.02445958269 . . . . . . . 36 ILE HG2# . 51104 1
399 . 1 . 1 36 36 ILE HG23 H 1 0.8431195885 0.02445958269 . . . . . . . 36 ILE HG2# . 51104 1
400 . 1 . 1 36 36 ILE HD11 H 1 0.7822241412 0.01953198043 . . . . . . . 36 ILE HD1# . 51104 1
401 . 1 . 1 36 36 ILE HD12 H 1 0.7822241412 0.01953198043 . . . . . . . 36 ILE HD1# . 51104 1
402 . 1 . 1 36 36 ILE HD13 H 1 0.7822241412 0.01953198043 . . . . . . . 36 ILE HD1# . 51104 1
403 . 1 . 1 36 36 ILE C C 13 175.3958466 0.05211492114 . . . . . . . 36 ILE C . 51104 1
404 . 1 . 1 36 36 ILE CA C 13 60.47469548 0.07223114455 . . . . . . . 36 ILE CA . 51104 1
405 . 1 . 1 36 36 ILE CB C 13 40.92460792 0.0650689568 . . . . . . . 36 ILE CB . 51104 1
406 . 1 . 1 36 36 ILE CG1 C 13 28.40491983 0.09302781965 . . . . . . . 36 ILE CG1 . 51104 1
407 . 1 . 1 36 36 ILE CG2 C 13 18.24396811 0.07720764228 . . . . . . . 36 ILE CG2 . 51104 1
408 . 1 . 1 36 36 ILE CD1 C 13 14.63871579 0.04190909009 . . . . . . . 36 ILE CD1 . 51104 1
409 . 1 . 1 36 36 ILE N N 15 129.8362381 0.05317827829 . . . . . . . 36 ILE N . 51104 1
410 . 1 . 1 37 37 THR H H 1 8.615081485 0.007630553933 . . . . . . . 37 THR H . 51104 1
411 . 1 . 1 37 37 THR HA H 1 4.425800107 0.03927673471 . . . . . . . 37 THR HA . 51104 1
412 . 1 . 1 37 37 THR HB H 1 3.884440523 0.03819084451 . . . . . . . 37 THR HB . 51104 1
413 . 1 . 1 37 37 THR HG21 H 1 0.8873865321 0.04777802766 . . . . . . . 37 THR HG2# . 51104 1
414 . 1 . 1 37 37 THR HG22 H 1 0.8873865321 0.04777802766 . . . . . . . 37 THR HG2# . 51104 1
415 . 1 . 1 37 37 THR HG23 H 1 0.8873865321 0.04777802766 . . . . . . . 37 THR HG2# . 51104 1
416 . 1 . 1 37 37 THR C C 13 173.4825613 0.03694289307 . . . . . . . 37 THR C . 51104 1
417 . 1 . 1 37 37 THR CA C 13 62.62191372 0.06391508905 . . . . . . . 37 THR CA . 51104 1
418 . 1 . 1 37 37 THR CB C 13 68.75929533 0.04196990756 . . . . . . . 37 THR CB . 51104 1
419 . 1 . 1 37 37 THR CG2 C 13 20.92274122 0.08128825759 . . . . . . . 37 THR CG2 . 51104 1
420 . 1 . 1 37 37 THR N N 15 122.6421722 0.08328946777 . . . . . . . 37 THR N . 51104 1
421 . 1 . 1 38 38 VAL H H 1 8.838902396 0.01046065349 . . . . . . . 38 VAL H . 51104 1
422 . 1 . 1 38 38 VAL HA H 1 3.729818522 0.0348540043 . . . . . . . 38 VAL HA . 51104 1
423 . 1 . 1 38 38 VAL HB H 1 1.587699437 0.03566900939 . . . . . . . 38 VAL HB . 51104 1
424 . 1 . 1 38 38 VAL HG11 H 1 0.4195125393 0.03092790615 . . . . . . . 38 VAL HG1# . 51104 1
425 . 1 . 1 38 38 VAL HG12 H 1 0.4195125393 0.03092790615 . . . . . . . 38 VAL HG1# . 51104 1
426 . 1 . 1 38 38 VAL HG13 H 1 0.4195125393 0.03092790615 . . . . . . . 38 VAL HG1# . 51104 1
427 . 1 . 1 38 38 VAL HG21 H 1 -0.1502139902 0.03212839802 . . . . . . . 38 VAL HG2# . 51104 1
428 . 1 . 1 38 38 VAL HG22 H 1 -0.1502139902 0.03212839802 . . . . . . . 38 VAL HG2# . 51104 1
429 . 1 . 1 38 38 VAL HG23 H 1 -0.1502139902 0.03212839802 . . . . . . . 38 VAL HG2# . 51104 1
430 . 1 . 1 38 38 VAL C C 13 174.6852803 0.008100619224 . . . . . . . 38 VAL C . 51104 1
431 . 1 . 1 38 38 VAL CA C 13 61.77490157 0.04866340056 . . . . . . . 38 VAL CA . 51104 1
432 . 1 . 1 38 38 VAL CB C 13 31.69658472 0.04304964785 . . . . . . . 38 VAL CB . 51104 1
433 . 1 . 1 38 38 VAL CG1 C 13 20.7698606 0.03349847292 . . . . . . . 38 VAL CG1 . 51104 1
434 . 1 . 1 38 38 VAL CG2 C 13 20.69993748 0.03841642872 . . . . . . . 38 VAL CG2 . 51104 1
435 . 1 . 1 38 38 VAL N N 15 130.3516812 0.05232249745 . . . . . . . 38 VAL N . 51104 1
436 . 1 . 1 39 39 ARG H H 1 8.252577064 0.01093190297 . . . . . . . 39 ARG H . 51104 1
437 . 1 . 1 39 39 ARG HA H 1 4.450858584 0.03615452983 . . . . . . . 39 ARG HA . 51104 1
438 . 1 . 1 39 39 ARG HB2 H 1 1.709381186 0.03359411019 . . . . . . . 39 ARG HB2 . 51104 1
439 . 1 . 1 39 39 ARG HB3 H 1 1.709381186 0.03359411019 . . . . . . . 39 ARG HB3 . 51104 1
440 . 1 . 1 39 39 ARG HG2 H 1 1.469284806 0.02952900274 . . . . . . . 39 ARG HG2 . 51104 1
441 . 1 . 1 39 39 ARG HG3 H 1 1.491523506 0.01684203211 . . . . . . . 39 ARG HG3 . 51104 1
442 . 1 . 1 39 39 ARG HD2 H 1 3.026197364 0.03591305146 . . . . . . . 39 ARG HD2 . 51104 1
443 . 1 . 1 39 39 ARG HD3 H 1 3.026197364 0.03591305146 . . . . . . . 39 ARG HD3 . 51104 1
444 . 1 . 1 39 39 ARG C C 13 173.2254851 0 . . . . . . . 39 ARG C . 51104 1
445 . 1 . 1 39 39 ARG CA C 13 53.54267876 0.04780243952 . . . . . . . 39 ARG CA . 51104 1
446 . 1 . 1 39 39 ARG CB C 13 30.25886689 0.05450002279 . . . . . . . 39 ARG CB . 51104 1
447 . 1 . 1 39 39 ARG CG C 13 27.55996938 0.04132188579 . . . . . . . 39 ARG CG . 51104 1
448 . 1 . 1 39 39 ARG CD C 13 43.32992951 0.1092664787 . . . . . . . 39 ARG CD . 51104 1
449 . 1 . 1 39 39 ARG N N 15 125.7190824 0.01776329316 . . . . . . . 39 ARG N . 51104 1
450 . 1 . 1 40 40 PRO HA H 1 4.242510045 0.03836688321 . . . . . . . 40 PRO HA . 51104 1
451 . 1 . 1 40 40 PRO HB2 H 1 2.13397214 0.04025448111 . . . . . . . 40 PRO HB2 . 51104 1
452 . 1 . 1 40 40 PRO HB3 H 1 2.13397214 0.04025448111 . . . . . . . 40 PRO HB3 . 51104 1
453 . 1 . 1 40 40 PRO HG2 H 1 1.827486311 0.03806770541 . . . . . . . 40 PRO HG2 . 51104 1
454 . 1 . 1 40 40 PRO HG3 H 1 1.837518698 0.03968159547 . . . . . . . 40 PRO HG3 . 51104 1
455 . 1 . 1 40 40 PRO HD2 H 1 3.334368279 0.03623983644 . . . . . . . 40 PRO HD2 . 51104 1
456 . 1 . 1 40 40 PRO HD3 H 1 3.43519218 0.03651835106 . . . . . . . 40 PRO HD3 . 51104 1
457 . 1 . 1 40 40 PRO C C 13 176.3879645 0.007241239727 . . . . . . . 40 PRO C . 51104 1
458 . 1 . 1 40 40 PRO CA C 13 62.67701724 0.09528331397 . . . . . . . 40 PRO CA . 51104 1
459 . 1 . 1 40 40 PRO CB C 13 31.83644818 0.04159176608 . . . . . . . 40 PRO CB . 51104 1
460 . 1 . 1 40 40 PRO CG C 13 27.35587005 0.04947616754 . . . . . . . 40 PRO CG . 51104 1
461 . 1 . 1 40 40 PRO CD C 13 50.12678487 0.04059050385 . . . . . . . 40 PRO CD . 51104 1
462 . 1 . 1 41 41 ALA H H 1 8.434590777 0.006805925202 . . . . . . . 41 ALA H . 51104 1
463 . 1 . 1 41 41 ALA HA H 1 4.141046075 0.03939585774 . . . . . . . 41 ALA HA . 51104 1
464 . 1 . 1 41 41 ALA HB1 H 1 1.284869009 0.02742593537 . . . . . . . 41 ALA HB# . 51104 1
465 . 1 . 1 41 41 ALA HB2 H 1 1.284869009 0.02742593537 . . . . . . . 41 ALA HB# . 51104 1
466 . 1 . 1 41 41 ALA HB3 H 1 1.284869009 0.02742593537 . . . . . . . 41 ALA HB# . 51104 1
467 . 1 . 1 41 41 ALA C C 13 178.452367 0.003615878274 . . . . . . . 41 ALA C . 51104 1
468 . 1 . 1 41 41 ALA CA C 13 52.70267158 0.1596095909 . . . . . . . 41 ALA CA . 51104 1
469 . 1 . 1 41 41 ALA CB C 13 18.84823018 0.03781031492 . . . . . . . 41 ALA CB . 51104 1
470 . 1 . 1 41 41 ALA N N 15 124.285621 0.02919526292 . . . . . . . 41 ALA N . 51104 1
471 . 1 . 1 42 42 GLY H H 1 8.362303317 0.007943027943 . . . . . . . 42 GLY H . 51104 1
472 . 1 . 1 42 42 GLY HA2 H 1 3.789042583 0.005839294066 . . . . . . . 42 GLY HA2 . 51104 1
473 . 1 . 1 42 42 GLY HA3 H 1 3.789042583 0.005839294066 . . . . . . . 42 GLY HA3 . 51104 1
474 . 1 . 1 42 42 GLY C C 13 173.9627259 0.0755105837 . . . . . . . 42 GLY C . 51104 1
475 . 1 . 1 42 42 GLY CA C 13 45.06882716 0.0225803272 . . . . . . . 42 GLY CA . 51104 1
476 . 1 . 1 42 42 GLY N N 15 108.2720699 0.04862213137 . . . . . . . 42 GLY N . 51104 1
477 . 1 . 1 43 43 ALA H H 1 7.948266131 0.009495101307 . . . . . . . 43 ALA H . 51104 1
478 . 1 . 1 43 43 ALA HA H 1 4.164334193 0.02100446782 . . . . . . . 43 ALA HA . 51104 1
479 . 1 . 1 43 43 ALA HB1 H 1 1.255049199 0.02806398113 . . . . . . . 43 ALA HB# . 51104 1
480 . 1 . 1 43 43 ALA HB2 H 1 1.255049199 0.02806398113 . . . . . . . 43 ALA HB# . 51104 1
481 . 1 . 1 43 43 ALA HB3 H 1 1.255049199 0.02806398113 . . . . . . . 43 ALA HB# . 51104 1
482 . 1 . 1 43 43 ALA C C 13 177.6696182 0.01449975902 . . . . . . . 43 ALA C . 51104 1
483 . 1 . 1 43 43 ALA CA C 13 52.41964502 0.05891297 . . . . . . . 43 ALA CA . 51104 1
484 . 1 . 1 43 43 ALA CB C 13 19.1816863 0.09833693837 . . . . . . . 43 ALA CB . 51104 1
485 . 1 . 1 43 43 ALA N N 15 123.382974 0.0505033416 . . . . . . . 43 ALA N . 51104 1
486 . 1 . 1 44 44 LEU H H 1 8.162055511 0.01147492578 . . . . . . . 44 LEU H . 51104 1
487 . 1 . 1 44 44 LEU HA H 1 4.188311162 0.03680253362 . . . . . . . 44 LEU HA . 51104 1
488 . 1 . 1 44 44 LEU HB2 H 1 1.50239243 0.03532305966 . . . . . . . 44 LEU HB2 . 51104 1
489 . 1 . 1 44 44 LEU HB3 H 1 1.50239243 0.03532305966 . . . . . . . 44 LEU HB3 . 51104 1
490 . 1 . 1 44 44 LEU HG H 1 1.363178449 0.0144015976 . . . . . . . 44 LEU HG . 51104 1
491 . 1 . 1 44 44 LEU HD11 H 1 0.7967196314 0.03806729479 . . . . . . . 44 LEU HD1# . 51104 1
492 . 1 . 1 44 44 LEU HD12 H 1 0.7967196314 0.03806729479 . . . . . . . 44 LEU HD1# . 51104 1
493 . 1 . 1 44 44 LEU HD13 H 1 0.7967196314 0.03806729479 . . . . . . . 44 LEU HD1# . 51104 1
494 . 1 . 1 44 44 LEU HD21 H 1 0.7413795656 0.03816957701 . . . . . . . 44 LEU HD2# . 51104 1
495 . 1 . 1 44 44 LEU HD22 H 1 0.7413795656 0.03816957701 . . . . . . . 44 LEU HD2# . 51104 1
496 . 1 . 1 44 44 LEU HD23 H 1 0.7413795656 0.03816957701 . . . . . . . 44 LEU HD2# . 51104 1
497 . 1 . 1 44 44 LEU C C 13 177.3443814 0.002205950738 . . . . . . . 44 LEU C . 51104 1
498 . 1 . 1 44 44 LEU CA C 13 54.99776862 0.05065107704 . . . . . . . 44 LEU CA . 51104 1
499 . 1 . 1 44 44 LEU CB C 13 42.15286598 0.1025763295 . . . . . . . 44 LEU CB . 51104 1
500 . 1 . 1 44 44 LEU CG C 13 27.04158806 0.1223857212 . . . . . . . 44 LEU CG . 51104 1
501 . 1 . 1 44 44 LEU CD1 C 13 24.86829778 0.04407280407 . . . . . . . 44 LEU CD1 . 51104 1
502 . 1 . 1 44 44 LEU CD2 C 13 23.18399372 0.05650572998 . . . . . . . 44 LEU CD2 . 51104 1
503 . 1 . 1 44 44 LEU N N 15 120.9641241 0.0286336891 . . . . . . . 44 LEU N . 51104 1
504 . 1 . 1 45 45 GLU H H 1 8.22974143 0.008941533052 . . . . . . . 45 GLU H . 51104 1
505 . 1 . 1 45 45 GLU HA H 1 4.052953665 0.02177599682 . . . . . . . 45 GLU HA . 51104 1
506 . 1 . 1 45 45 GLU HB2 H 1 1.745104223 0.03215826306 . . . . . . . 45 GLU HB2 . 51104 1
507 . 1 . 1 45 45 GLU HB3 H 1 1.817653504 0.03860399741 . . . . . . . 45 GLU HB3 . 51104 1
508 . 1 . 1 45 45 GLU HG2 H 1 2.019484898 0.03711774154 . . . . . . . 45 GLU HG2 . 51104 1
509 . 1 . 1 45 45 GLU HG3 H 1 2.103354537 0.04484368865 . . . . . . . 45 GLU HG3 . 51104 1
510 . 1 . 1 45 45 GLU C C 13 176.0362367 0 . . . . . . . 45 GLU C . 51104 1
511 . 1 . 1 45 45 GLU CA C 13 56.56226387 0.06262017668 . . . . . . . 45 GLU CA . 51104 1
512 . 1 . 1 45 45 GLU CB C 13 30.08272139 0.03252470415 . . . . . . . 45 GLU CB . 51104 1
513 . 1 . 1 45 45 GLU CG C 13 36.34294468 0.05641437294 . . . . . . . 45 GLU CG . 51104 1
514 . 1 . 1 45 45 GLU N N 15 121.1011151 0.04767058777 . . . . . . . 45 GLU N . 51104 1
stop_
save_