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 51096
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name GltJ-GYF_assigned
_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 HNCO' . . . 51096 1
2 '3D HN(CA)CO' . . . 51096 1
3 '3D HN(CO)CA' . . . 51096 1
4 '3D HNCA' . . . 51096 1
5 '3D HN(CO)CACB' . . . 51096 1
6 '3D HNCACB' . . . 51096 1
7 '3D HCCH-TOCSY' . . . 51096 1
8 '3D 1H-15N NOESY' . . . 51096 1
9 '3D 1H-15N TOCSY' . . . 51096 1
10 '3D 1H-13C NOESY' . . . 51096 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 . . 51096 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 4 4 MET C C 13 175.5583361 0.01237118365 . . . . . . . 138 MET C . 51096 1
2 . 1 . 1 4 4 MET CA C 13 55.39895481 0.002175001109 . . . . . . . 138 MET CA . 51096 1
3 . 1 . 1 4 4 MET CB C 13 32.49311938 0.001840974034 . . . . . . . 138 MET CB . 51096 1
4 . 1 . 1 5 5 ASP H H 1 8.226059454 0.01666402142 . . . . . . . 139 ASP H . 51096 1
5 . 1 . 1 5 5 ASP HA H 1 4.422505988 0.01395322966 . . . . . . . 139 ASP HA . 51096 1
6 . 1 . 1 5 5 ASP HB2 H 1 2.528014187 0.0279730773 . . . . . . . 139 ASP HB2 . 51096 1
7 . 1 . 1 5 5 ASP HB3 H 1 2.52812236 0.02878040016 . . . . . . . 139 ASP HB3 . 51096 1
8 . 1 . 1 5 5 ASP C C 13 175.8934754 0 . . . . . . . 139 ASP C . 51096 1
9 . 1 . 1 5 5 ASP CA C 13 55.69877329 1.376773597 . . . . . . . 139 ASP CA . 51096 1
10 . 1 . 1 5 5 ASP CB C 13 42.32046291 1.400797147 . . . . . . . 139 ASP CB . 51096 1
11 . 1 . 1 5 5 ASP N N 15 121.7033675 0.001128039103 . . . . . . . 139 ASP N . 51096 1
12 . 1 . 1 6 6 LYS H H 1 8.14873109 0.009036629817 . . . . . . . 140 LYS H . 51096 1
13 . 1 . 1 6 6 LYS HA H 1 4.145762634 0.005388324273 . . . . . . . 140 LYS HA . 51096 1
14 . 1 . 1 6 6 LYS HB2 H 1 1.737745942 0.02410051678 . . . . . . . 140 LYS HB2 . 51096 1
15 . 1 . 1 6 6 LYS HB3 H 1 1.738036978 0.02309466873 . . . . . . . 140 LYS HB3 . 51096 1
16 . 1 . 1 6 6 LYS HG2 H 1 1.315336979 0.001399047842 . . . . . . . 140 LYS HG2 . 51096 1
17 . 1 . 1 6 6 LYS HG3 H 1 1.315336979 0.001399047842 . . . . . . . 140 LYS HG3 . 51096 1
18 . 1 . 1 6 6 LYS HD2 H 1 1.552344319 0.02251153584 . . . . . . . 140 LYS HD2 . 51096 1
19 . 1 . 1 6 6 LYS HD3 H 1 1.552344319 0.02251153584 . . . . . . . 140 LYS HD3 . 51096 1
20 . 1 . 1 6 6 LYS HE2 H 1 2.887028218 0.001114739224 . . . . . . . 140 LYS HE2 . 51096 1
21 . 1 . 1 6 6 LYS HE3 H 1 2.887028218 0.001114739223 . . . . . . . 140 LYS HE3 . 51096 1
22 . 1 . 1 6 6 LYS CA C 13 56.67664153 0.1243022803 . . . . . . . 140 LYS CA . 51096 1
23 . 1 . 1 6 6 LYS CB C 13 33.21328247 0.275320391 . . . . . . . 140 LYS CB . 51096 1
24 . 1 . 1 6 6 LYS CG C 13 24.88636932 0.0797131197 . . . . . . . 140 LYS CG . 51096 1
25 . 1 . 1 6 6 LYS CD C 13 28.99539711 0.0781799992 . . . . . . . 140 LYS CD . 51096 1
26 . 1 . 1 6 6 LYS CE C 13 42.3159017 0.1749565178 . . . . . . . 140 LYS CE . 51096 1
27 . 1 . 1 6 6 LYS N N 15 121.1028862 0.0001050514574 . . . . . . . 140 LYS N . 51096 1
28 . 1 . 1 7 7 GLU H H 1 8.29795801 0.01458151408 . . . . . . . 141 GLU H . 51096 1
29 . 1 . 1 7 7 GLU HA H 1 4.096686732 0.01129593229 . . . . . . . 141 GLU HA . 51096 1
30 . 1 . 1 7 7 GLU HB2 H 1 1.83479772 0.01412381437 . . . . . . . 141 GLU HB2 . 51096 1
31 . 1 . 1 7 7 GLU HB3 H 1 1.83479772 0.01412381437 . . . . . . . 141 GLU HB3 . 51096 1
32 . 1 . 1 7 7 GLU HG2 H 1 2.176096858 0.005873950839 . . . . . . . 141 GLU HG2 . 51096 1
33 . 1 . 1 7 7 GLU HG3 H 1 2.176516041 0.005757715448 . . . . . . . 141 GLU HG3 . 51096 1
34 . 1 . 1 7 7 GLU C C 13 176.884664 0.01765209323 . . . . . . . 141 GLU C . 51096 1
35 . 1 . 1 7 7 GLU CA C 13 58.18343265 1.401733291 . . . . . . . 141 GLU CA . 51096 1
36 . 1 . 1 7 7 GLU CB C 13 31.5437328 1.411545854 . . . . . . . 141 GLU CB . 51096 1
37 . 1 . 1 7 7 GLU CG C 13 38.5378836 1.315544435 . . . . . . . 141 GLU CG . 51096 1
38 . 1 . 1 7 7 GLU N N 15 121.5855844 0.02052918462 . . . . . . . 141 GLU N . 51096 1
39 . 1 . 1 8 8 GLU H H 1 8.35577298 0.01702151987 . . . . . . . 142 GLU H . 51096 1
40 . 1 . 1 8 8 GLU HA H 1 4.074234381 0.004898018304 . . . . . . . 142 GLU HA . 51096 1
41 . 1 . 1 8 8 GLU HB2 H 1 1.881305194 0.01588460673 . . . . . . . 142 GLU HB2 . 51096 1
42 . 1 . 1 8 8 GLU HB3 H 1 1.883007235 0.01416344698 . . . . . . . 142 GLU HB3 . 51096 1
43 . 1 . 1 8 8 GLU HG2 H 1 2.160228219 0.00585907198 . . . . . . . 142 GLU HG2 . 51096 1
44 . 1 . 1 8 8 GLU HG3 H 1 2.161146449 0.007031225674 . . . . . . . 142 GLU HG3 . 51096 1
45 . 1 . 1 8 8 GLU C C 13 176.3602089 0.1027968879 . . . . . . . 142 GLU C . 51096 1
46 . 1 . 1 8 8 GLU CA C 13 58.27855001 1.401958587 . . . . . . . 142 GLU CA . 51096 1
47 . 1 . 1 8 8 GLU CB C 13 31.16913517 1.430301505 . . . . . . . 142 GLU CB . 51096 1
48 . 1 . 1 8 8 GLU CG C 13 38.13539716 1.370057523 . . . . . . . 142 GLU CG . 51096 1
49 . 1 . 1 8 8 GLU N N 15 122.4477949 0.01497372362 . . . . . . . 142 GLU N . 51096 1
50 . 1 . 1 9 9 ALA H H 1 8.179553987 0.01634398319 . . . . . . . 143 ALA H . 51096 1
51 . 1 . 1 9 9 ALA HA H 1 4.148988088 0.01590950437 . . . . . . . 143 ALA HA . 51096 1
52 . 1 . 1 9 9 ALA HB1 H 1 1.259965699 0.0113502072 . . . . . . . 143 ALA HB# . 51096 1
53 . 1 . 1 9 9 ALA HB2 H 1 1.259965699 0.0113502072 . . . . . . . 143 ALA HB# . 51096 1
54 . 1 . 1 9 9 ALA HB3 H 1 1.259965699 0.0113502072 . . . . . . . 143 ALA HB# . 51096 1
55 . 1 . 1 9 9 ALA C C 13 178.0140613 0.009795086349 . . . . . . . 143 ALA C . 51096 1
56 . 1 . 1 9 9 ALA CA C 13 53.89887156 1.355530854 . . . . . . . 143 ALA CA . 51096 1
57 . 1 . 1 9 9 ALA CB C 13 19.47486324 1.302532537 . . . . . . . 143 ALA CB . 51096 1
58 . 1 . 1 9 9 ALA N N 15 124.4902499 0.01528407529 . . . . . . . 143 ALA N . 51096 1
59 . 1 . 1 10 10 LYS H H 1 8.023948203 0.01238397747 . . . . . . . 144 LYS H . 51096 1
60 . 1 . 1 10 10 LYS HA H 1 4.109178162 0.007251048575 . . . . . . . 144 LYS HA . 51096 1
61 . 1 . 1 10 10 LYS HB2 H 1 1.700499774 0.009764593854 . . . . . . . 144 LYS HB2 . 51096 1
62 . 1 . 1 10 10 LYS HB3 H 1 1.700526948 0.009612001992 . . . . . . . 144 LYS HB3 . 51096 1
63 . 1 . 1 10 10 LYS HG2 H 1 1.340366043 0.02619318 . . . . . . . 144 LYS HG2 . 51096 1
64 . 1 . 1 10 10 LYS HG3 H 1 1.341019307 0.02547326858 . . . . . . . 144 LYS HG3 . 51096 1
65 . 1 . 1 10 10 LYS HD2 H 1 1.57382919 0.02254403846 . . . . . . . 144 LYS HD2 . 51096 1
66 . 1 . 1 10 10 LYS HD3 H 1 1.574116579 0.02213338056 . . . . . . . 144 LYS HD3 . 51096 1
67 . 1 . 1 10 10 LYS HE2 H 1 2.851268638 0.01169253132 . . . . . . . 144 LYS HE2 . 51096 1
68 . 1 . 1 10 10 LYS HE3 H 1 2.851268638 0.01169253132 . . . . . . . 144 LYS HE3 . 51096 1
69 . 1 . 1 10 10 LYS C C 13 176.6147695 0.01500283444 . . . . . . . 144 LYS C . 51096 1
70 . 1 . 1 10 10 LYS CA C 13 57.92019317 1.408103561 . . . . . . . 144 LYS CA . 51096 1
71 . 1 . 1 10 10 LYS CB C 13 34.34697616 1.425156829 . . . . . . . 144 LYS CB . 51096 1
72 . 1 . 1 10 10 LYS CG C 13 26.45903526 1.443043836 . . . . . . . 144 LYS CG . 51096 1
73 . 1 . 1 10 10 LYS CD C 13 30.42039057 1.430726322 . . . . . . . 144 LYS CD . 51096 1
74 . 1 . 1 10 10 LYS CE C 13 42.2197596 0.1587443456 . . . . . . . 144 LYS CE . 51096 1
75 . 1 . 1 10 10 LYS N N 15 120.1439463 0.01315628143 . . . . . . . 144 LYS N . 51096 1
76 . 1 . 1 11 11 ALA H H 1 8.100750115 0.01117897845 . . . . . . . 145 ALA H . 51096 1
77 . 1 . 1 11 11 ALA HA H 1 4.124890788 0.007688833002 . . . . . . . 145 ALA HA . 51096 1
78 . 1 . 1 11 11 ALA HB1 H 1 1.262319399 0.008320816494 . . . . . . . 145 ALA HB# . 51096 1
79 . 1 . 1 11 11 ALA HB2 H 1 1.262319399 0.008320816494 . . . . . . . 145 ALA HB# . 51096 1
80 . 1 . 1 11 11 ALA HB3 H 1 1.262319399 0.008320816494 . . . . . . . 145 ALA HB# . 51096 1
81 . 1 . 1 11 11 ALA C C 13 177.6500782 0.007796160787 . . . . . . . 145 ALA C . 51096 1
82 . 1 . 1 11 11 ALA CA C 13 53.67087936 1.305445345 . . . . . . . 145 ALA CA . 51096 1
83 . 1 . 1 11 11 ALA CB C 13 20.3496 1.414829444 . . . . . . . 145 ALA CB . 51096 1
84 . 1 . 1 11 11 ALA N N 15 124.2903069 0.01323343705 . . . . . . . 145 ALA N . 51096 1
85 . 1 . 1 12 12 ASN H H 1 8.241986143 0.01363417309 . . . . . . . 146 ASN H . 51096 1
86 . 1 . 1 12 12 ASN HA H 1 4.504653636 0.008178302259 . . . . . . . 146 ASN HA . 51096 1
87 . 1 . 1 12 12 ASN HB2 H 1 2.67382162 0.0162351006 . . . . . . . 146 ASN HB2 . 51096 1
88 . 1 . 1 12 12 ASN HB3 H 1 2.674185728 0.01662255194 . . . . . . . 146 ASN HB3 . 51096 1
89 . 1 . 1 12 12 ASN HD21 H 1 6.825724877 0.006881613333 . . . . . . . 146 ASN HD21 . 51096 1
90 . 1 . 1 12 12 ASN HD22 H 1 7.511194668 0.005434224769 . . . . . . . 146 ASN HD22 . 51096 1
91 . 1 . 1 12 12 ASN C C 13 175.1686751 0.02400455217 . . . . . . . 146 ASN C . 51096 1
92 . 1 . 1 12 12 ASN CA C 13 54.95112618 1.429900919 . . . . . . . 146 ASN CA . 51096 1
93 . 1 . 1 12 12 ASN CB C 13 39.70812674 1.36774432 . . . . . . . 146 ASN CB . 51096 1
94 . 1 . 1 12 12 ASN N N 15 117.8113734 0.01103412773 . . . . . . . 146 ASN N . 51096 1
95 . 1 . 1 12 12 ASN ND2 N 15 112.5594404 0.006197976853 . . . . . . . 146 ASN ND2 . 51096 1
96 . 1 . 1 13 13 ALA H H 1 8.123953713 0.0150130974 . . . . . . . 147 ALA H . 51096 1
97 . 1 . 1 13 13 ALA HA H 1 4.066473304 0.007520618922 . . . . . . . 147 ALA HA . 51096 1
98 . 1 . 1 13 13 ALA HB1 H 1 1.291043077 0.007854341562 . . . . . . . 147 ALA HB# . 51096 1
99 . 1 . 1 13 13 ALA HB2 H 1 1.291043077 0.007854341562 . . . . . . . 147 ALA HB# . 51096 1
100 . 1 . 1 13 13 ALA HB3 H 1 1.291043077 0.007854341562 . . . . . . . 147 ALA HB# . 51096 1
101 . 1 . 1 13 13 ALA C C 13 177.6180455 0.02344898994 . . . . . . . 147 ALA C . 51096 1
102 . 1 . 1 13 13 ALA CA C 13 55.15793441 1.326470908 . . . . . . . 147 ALA CA . 51096 1
103 . 1 . 1 13 13 ALA CB C 13 21.21326502 1.282528176 . . . . . . . 147 ALA CB . 51096 1
104 . 1 . 1 13 13 ALA N N 15 124.154325 0.02154947695 . . . . . . . 147 ALA N . 51096 1
105 . 1 . 1 14 14 ALA H H 1 7.974501946 0.008220673645 . . . . . . . 148 ALA H . 51096 1
106 . 1 . 1 14 14 ALA HA H 1 4.154316702 0.01099349136 . . . . . . . 148 ALA HA . 51096 1
107 . 1 . 1 14 14 ALA HB1 H 1 1.226374032 0.008423857496 . . . . . . . 148 ALA HB# . 51096 1
108 . 1 . 1 14 14 ALA HB2 H 1 1.226374032 0.008423857496 . . . . . . . 148 ALA HB# . 51096 1
109 . 1 . 1 14 14 ALA HB3 H 1 1.226374032 0.008423857496 . . . . . . . 148 ALA HB# . 51096 1
110 . 1 . 1 14 14 ALA C C 13 175.2669167 0 . . . . . . . 148 ALA C . 51096 1
111 . 1 . 1 14 14 ALA CA C 13 54.36521867 1.357815347 . . . . . . . 148 ALA CA . 51096 1
112 . 1 . 1 14 14 ALA CB C 13 20.37966707 1.422610648 . . . . . . . 148 ALA CB . 51096 1
113 . 1 . 1 14 14 ALA N N 15 121.173519 0.012534659 . . . . . . . 148 ALA N . 51096 1
114 . 1 . 1 15 15 ALA H H 1 7.749987589 0.01093798289 . . . . . . . 149 ALA H . 51096 1
115 . 1 . 1 15 15 ALA HA H 1 4.109842815 0.003248349802 . . . . . . . 149 ALA HA . 51096 1
116 . 1 . 1 15 15 ALA HB1 H 1 1.154531285 0.008655571046 . . . . . . . 149 ALA HB# . 51096 1
117 . 1 . 1 15 15 ALA HB2 H 1 1.154531285 0.008655571046 . . . . . . . 149 ALA HB# . 51096 1
118 . 1 . 1 15 15 ALA HB3 H 1 1.154531285 0.008655571046 . . . . . . . 149 ALA HB# . 51096 1
119 . 1 . 1 15 15 ALA C C 13 177.0821518 0.02291662277 . . . . . . . 149 ALA C . 51096 1
120 . 1 . 1 15 15 ALA CA C 13 53.16171181 1.411623731 . . . . . . . 149 ALA CA . 51096 1
121 . 1 . 1 15 15 ALA CB C 13 20.85561735 1.385003492 . . . . . . . 149 ALA CB . 51096 1
122 . 1 . 1 15 15 ALA N N 15 121.9480719 0.01253768389 . . . . . . . 149 ALA N . 51096 1
123 . 1 . 1 16 16 HIS H H 1 7.675140803 0.01897976004 . . . . . . . 150 HIS H . 51096 1
124 . 1 . 1 16 16 HIS HA H 1 4.307405111 0.0171477507 . . . . . . . 150 HIS HA . 51096 1
125 . 1 . 1 16 16 HIS HB2 H 1 1.993927085 0.01997817498 . . . . . . . 150 HIS HB2 . 51096 1
126 . 1 . 1 16 16 HIS HB3 H 1 2.49636117 0.01353497693 . . . . . . . 150 HIS HB3 . 51096 1
127 . 1 . 1 16 16 HIS HD2 H 1 6.858650225 0.006791734927 . . . . . . . 150 HIS HD2 . 51096 1
128 . 1 . 1 16 16 HIS C C 13 174.4117531 0.160084096 . . . . . . . 150 HIS C . 51096 1
129 . 1 . 1 16 16 HIS CA C 13 56.76515652 1.414136447 . . . . . . . 150 HIS CA . 51096 1
130 . 1 . 1 16 16 HIS CB C 13 33.31915993 1.392515474 . . . . . . . 150 HIS CB . 51096 1
131 . 1 . 1 16 16 HIS CD2 C 13 119.6654049 0 . . . . . . . 150 HIS CD2 . 51096 1
132 . 1 . 1 16 16 HIS N N 15 118.3390015 0.004692529835 . . . . . . . 150 HIS N . 51096 1
133 . 1 . 1 17 17 GLU H H 1 7.911867051 0.01016005252 . . . . . . . 151 GLU H . 51096 1
134 . 1 . 1 17 17 GLU HA H 1 4.252604592 0.01180435094 . . . . . . . 151 GLU HA . 51096 1
135 . 1 . 1 17 17 GLU HB2 H 1 1.678712935 0.006796729605 . . . . . . . 151 GLU HB2 . 51096 1
136 . 1 . 1 17 17 GLU HB3 H 1 1.678952346 0.006695714495 . . . . . . . 151 GLU HB3 . 51096 1
137 . 1 . 1 17 17 GLU HG2 H 1 2.008344788 0.01194637179 . . . . . . . 151 GLU HG2 . 51096 1
138 . 1 . 1 17 17 GLU HG3 H 1 2.008821194 0.01207012399 . . . . . . . 151 GLU HG3 . 51096 1
139 . 1 . 1 17 17 GLU C C 13 174.4559513 0.08810231107 . . . . . . . 151 GLU C . 51096 1
140 . 1 . 1 17 17 GLU CA C 13 56.51324479 1.419454874 . . . . . . . 151 GLU CA . 51096 1
141 . 1 . 1 17 17 GLU CB C 13 32.61985849 1.355141561 . . . . . . . 151 GLU CB . 51096 1
142 . 1 . 1 17 17 GLU CG C 13 38.05757466 1.372915464 . . . . . . . 151 GLU CG . 51096 1
143 . 1 . 1 17 17 GLU N N 15 120.7149044 0.009521647045 . . . . . . . 151 GLU N . 51096 1
144 . 1 . 1 18 18 TRP H H 1 8.861331143 0.007215760702 . . . . . . . 152 TRP H . 51096 1
145 . 1 . 1 18 18 TRP HA H 1 4.618920206 0.007146216976 . . . . . . . 152 TRP HA . 51096 1
146 . 1 . 1 18 18 TRP HB2 H 1 2.856445793 0.01088801699 . . . . . . . 152 TRP HB2 . 51096 1
147 . 1 . 1 18 18 TRP HB3 H 1 2.859902992 0.01444465108 . . . . . . . 152 TRP HB3 . 51096 1
148 . 1 . 1 18 18 TRP HD1 H 1 6.86329683 0.006877440232 . . . . . . . 152 TRP HD1 . 51096 1
149 . 1 . 1 18 18 TRP HE1 H 1 9.984220125 0.005892075928 . . . . . . . 152 TRP HE1 . 51096 1
150 . 1 . 1 18 18 TRP HE3 H 1 7.111984045 0.003688990713 . . . . . . . 152 TRP HE3 . 51096 1
151 . 1 . 1 18 18 TRP HZ2 H 1 7.1266106 0.002412604755 . . . . . . . 152 TRP HZ2 . 51096 1
152 . 1 . 1 18 18 TRP C C 13 175.5348864 0.02172900811 . . . . . . . 152 TRP C . 51096 1
153 . 1 . 1 18 18 TRP CA C 13 57.81123207 0.9848904428 . . . . . . . 152 TRP CA . 51096 1
154 . 1 . 1 18 18 TRP CB C 13 33.4294866 1.37094711 . . . . . . . 152 TRP CB . 51096 1
155 . 1 . 1 18 18 TRP CD1 C 13 125.8319245 0.06033299971 . . . . . . . 152 TRP CD1 . 51096 1
156 . 1 . 1 18 18 TRP CE3 C 13 119.6654049 0.00001348699152 . . . . . . . 152 TRP CE3 . 51096 1
157 . 1 . 1 18 18 TRP CZ2 C 13 114.6639303 0.00001348699152 . . . . . . . 152 TRP CZ2 . 51096 1
158 . 1 . 1 18 18 TRP N N 15 122.0018177 0.01239328758 . . . . . . . 152 TRP N . 51096 1
159 . 1 . 1 18 18 TRP NE1 N 15 127.5834034 0.1228981913 . . . . . . . 152 TRP NE1 . 51096 1
160 . 1 . 1 19 19 TYR H H 1 9.399307007 0.007255774144 . . . . . . . 153 TYR H . 51096 1
161 . 1 . 1 19 19 TYR HA H 1 5.357707836 0.008525540058 . . . . . . . 153 TYR HA . 51096 1
162 . 1 . 1 19 19 TYR HB2 H 1 2.748050115 0.007077470266 . . . . . . . 153 TYR HB2 . 51096 1
163 . 1 . 1 19 19 TYR HB3 H 1 2.915594388 0.01236747359 . . . . . . . 153 TYR HB3 . 51096 1
164 . 1 . 1 19 19 TYR HD1 H 1 6.950529692 0.01234337077 . . . . . . . 153 TYR HD# . 51096 1
165 . 1 . 1 19 19 TYR HD2 H 1 6.950529692 0.01234337077 . . . . . . . 153 TYR HD# . 51096 1
166 . 1 . 1 19 19 TYR HE1 H 1 6.535544848 0.01705826186 . . . . . . . 153 TYR HE# . 51096 1
167 . 1 . 1 19 19 TYR HE2 H 1 6.535544848 0.01705826186 . . . . . . . 153 TYR HE# . 51096 1
168 . 1 . 1 19 19 TYR C C 13 175.2100978 0.0295993242 . . . . . . . 153 TYR C . 51096 1
169 . 1 . 1 19 19 TYR CA C 13 58.27998096 1.307761167 . . . . . . . 153 TYR CA . 51096 1
170 . 1 . 1 19 19 TYR CB C 13 44.20309853 1.265302296 . . . . . . . 153 TYR CB . 51096 1
171 . 1 . 1 19 19 TYR CD1 C 13 133.4196313 0.00001907348633 . . . . . . . 153 TYR CD# . 51096 1
172 . 1 . 1 19 19 TYR CD2 C 13 133.4196313 0.00001907348633 . . . . . . . 153 TYR CD# . 51096 1
173 . 1 . 1 19 19 TYR CE1 C 13 117.1648386 0.00001348699152 . . . . . . . 153 TYR CE# . 51096 1
174 . 1 . 1 19 19 TYR CE2 C 13 117.1648386 0.00001348699152 . . . . . . . 153 TYR CE# . 51096 1
175 . 1 . 1 19 19 TYR N N 15 120.0113708 0.0108742979 . . . . . . . 153 TYR N . 51096 1
176 . 1 . 1 20 20 VAL H H 1 9.10385481 0.01326720672 . . . . . . . 154 VAL H . 51096 1
177 . 1 . 1 20 20 VAL HA H 1 5.604775056 0.007028447294 . . . . . . . 154 VAL HA . 51096 1
178 . 1 . 1 20 20 VAL HB H 1 2.024313818 0.005471087266 . . . . . . . 154 VAL HB . 51096 1
179 . 1 . 1 20 20 VAL HG11 H 1 0.9365623674 0 . . . . . . . 154 VAL HG1# . 51096 1
180 . 1 . 1 20 20 VAL HG12 H 1 0.9365623674 0 . . . . . . . 154 VAL HG1# . 51096 1
181 . 1 . 1 20 20 VAL HG13 H 1 0.9365623674 0 . . . . . . . 154 VAL HG1# . 51096 1
182 . 1 . 1 20 20 VAL HG21 H 1 1.011684687 0.006611356545 . . . . . . . 154 VAL HG2# . 51096 1
183 . 1 . 1 20 20 VAL HG22 H 1 1.011684687 0.006611356545 . . . . . . . 154 VAL HG2# . 51096 1
184 . 1 . 1 20 20 VAL HG23 H 1 1.011684687 0.006611356545 . . . . . . . 154 VAL HG2# . 51096 1
185 . 1 . 1 20 20 VAL CA C 13 61.29761494 1.413862129 . . . . . . . 154 VAL CA . 51096 1
186 . 1 . 1 20 20 VAL CB C 13 37.87228072 1.41305546 . . . . . . . 154 VAL CB . 51096 1
187 . 1 . 1 20 20 VAL CG1 C 13 20.6918352 0.08995171537 . . . . . . . 154 VAL CG1 . 51096 1
188 . 1 . 1 20 20 VAL CG2 C 13 24.42957848 1.074369381 . . . . . . . 154 VAL CG2 . 51096 1
189 . 1 . 1 20 20 VAL N N 15 114.6764767 0.00927257886 . . . . . . . 154 VAL N . 51096 1
190 . 1 . 1 21 21 ALA H H 1 8.810563033 0.01349612833 . . . . . . . 155 ALA H . 51096 1
191 . 1 . 1 21 21 ALA HA H 1 5.284682598 0.01000025419 . . . . . . . 155 ALA HA . 51096 1
192 . 1 . 1 21 21 ALA HB1 H 1 1.083832295 0.007962347918 . . . . . . . 155 ALA HB# . 51096 1
193 . 1 . 1 21 21 ALA HB2 H 1 1.083832295 0.007962347918 . . . . . . . 155 ALA HB# . 51096 1
194 . 1 . 1 21 21 ALA HB3 H 1 1.083832295 0.007962347918 . . . . . . . 155 ALA HB# . 51096 1
195 . 1 . 1 21 21 ALA C C 13 176.9152566 0.001977617945 . . . . . . . 155 ALA C . 51096 1
196 . 1 . 1 21 21 ALA CA C 13 52.39202274 1.345049478 . . . . . . . 155 ALA CA . 51096 1
197 . 1 . 1 21 21 ALA CB C 13 21.32883537 1.199538178 . . . . . . . 155 ALA CB . 51096 1
198 . 1 . 1 21 21 ALA N N 15 127.0358085 0.01451778697 . . . . . . . 155 ALA N . 51096 1
199 . 1 . 1 22 22 ILE H H 1 8.522374525 0.007834036345 . . . . . . . 156 ILE H . 51096 1
200 . 1 . 1 22 22 ILE HA H 1 4.090114607 0.006439011809 . . . . . . . 156 ILE HA . 51096 1
201 . 1 . 1 22 22 ILE HB H 1 1.608545816 0.01085495278 . . . . . . . 156 ILE HB . 51096 1
202 . 1 . 1 22 22 ILE HG12 H 1 1.467679298 0.01044077055 . . . . . . . 156 ILE HG12 . 51096 1
203 . 1 . 1 22 22 ILE HG13 H 1 1.468263175 0.01077828424 . . . . . . . 156 ILE HG13 . 51096 1
204 . 1 . 1 22 22 ILE HG21 H 1 0.84606 0.01786913672 . . . . . . . 156 ILE HG2# . 51096 1
205 . 1 . 1 22 22 ILE HG22 H 1 0.84606 0.01786913672 . . . . . . . 156 ILE HG2# . 51096 1
206 . 1 . 1 22 22 ILE HG23 H 1 0.84606 0.01786913672 . . . . . . . 156 ILE HG2# . 51096 1
207 . 1 . 1 22 22 ILE HD11 H 1 0.7647372298 0.01917637075 . . . . . . . 156 ILE HD1# . 51096 1
208 . 1 . 1 22 22 ILE HD12 H 1 0.7647372298 0.01917637075 . . . . . . . 156 ILE HD1# . 51096 1
209 . 1 . 1 22 22 ILE HD13 H 1 0.7647372298 0.01917637075 . . . . . . . 156 ILE HD1# . 51096 1
210 . 1 . 1 22 22 ILE C C 13 175.9037735 0.06337959137 . . . . . . . 156 ILE C . 51096 1
211 . 1 . 1 22 22 ILE CA C 13 62.96867811 1.421358973 . . . . . . . 156 ILE CA . 51096 1
212 . 1 . 1 22 22 ILE CB C 13 41.85296286 1.425292079 . . . . . . . 156 ILE CB . 51096 1
213 . 1 . 1 22 22 ILE CG1 C 13 28.49368306 1.429960449 . . . . . . . 156 ILE CG1 . 51096 1
214 . 1 . 1 22 22 ILE CG2 C 13 19.13509982 1.386407927 . . . . . . . 156 ILE CG2 . 51096 1
215 . 1 . 1 22 22 ILE CD1 C 13 15.82867745 1.409764647 . . . . . . . 156 ILE CD1 . 51096 1
216 . 1 . 1 22 22 ILE N N 15 124.4954084 0.008854832493 . . . . . . . 156 ILE N . 51096 1
217 . 1 . 1 23 23 ASP H H 1 9.208004097 0.008257678342 . . . . . . . 157 ASP H . 51096 1
218 . 1 . 1 23 23 ASP HA H 1 4.146277475 0.008320131117 . . . . . . . 157 ASP HA . 51096 1
219 . 1 . 1 23 23 ASP HB2 H 1 2.59014133 0.01167838957 . . . . . . . 157 ASP HB2 . 51096 1
220 . 1 . 1 23 23 ASP HB3 H 1 2.818777128 0.007493571451 . . . . . . . 157 ASP HB3 . 51096 1
221 . 1 . 1 23 23 ASP C C 13 174.7406863 0.0493483412 . . . . . . . 157 ASP C . 51096 1
222 . 1 . 1 23 23 ASP CA C 13 57.56775398 1.390920486 . . . . . . . 157 ASP CA . 51096 1
223 . 1 . 1 23 23 ASP CB C 13 41.41171917 1.293294361 . . . . . . . 157 ASP CB . 51096 1
224 . 1 . 1 23 23 ASP N N 15 128.8668511 0.01797657499 . . . . . . . 157 ASP N . 51096 1
225 . 1 . 1 24 24 GLU H H 1 8.612264108 0.007971130888 . . . . . . . 158 GLU H . 51096 1
226 . 1 . 1 24 24 GLU HA H 1 3.709360042 0.01474082021 . . . . . . . 158 GLU HA . 51096 1
227 . 1 . 1 24 24 GLU HB2 H 1 2.069410402 0.01924763244 . . . . . . . 158 GLU HB2 . 51096 1
228 . 1 . 1 24 24 GLU HB3 H 1 2.069784043 0.01896609181 . . . . . . . 158 GLU HB3 . 51096 1
229 . 1 . 1 24 24 GLU HG2 H 1 2.084497657 0.007930148402 . . . . . . . 158 GLU HG2 . 51096 1
230 . 1 . 1 24 24 GLU HG3 H 1 2.084497657 0.007930148401 . . . . . . . 158 GLU HG3 . 51096 1
231 . 1 . 1 24 24 GLU C C 13 175.2282596 0 . . . . . . . 158 GLU C . 51096 1
232 . 1 . 1 24 24 GLU CA C 13 58.96248983 1.416792597 . . . . . . . 158 GLU CA . 51096 1
233 . 1 . 1 24 24 GLU CB C 13 29.35560311 1.411577172 . . . . . . . 158 GLU CB . 51096 1
234 . 1 . 1 24 24 GLU CG C 13 38.16325264 1.425778649 . . . . . . . 158 GLU CG . 51096 1
235 . 1 . 1 24 24 GLU N N 15 111.2091077 0.002303038372 . . . . . . . 158 GLU N . 51096 1
236 . 1 . 1 25 25 LYS H H 1 7.822992523 0.01096411836 . . . . . . . 159 LYS H . 51096 1
237 . 1 . 1 25 25 LYS HA H 1 4.403304781 0.007647491935 . . . . . . . 159 LYS HA . 51096 1
238 . 1 . 1 25 25 LYS HB2 H 1 1.706177552 0.02195797388 . . . . . . . 159 LYS HB2 . 51096 1
239 . 1 . 1 25 25 LYS HB3 H 1 1.707339097 0.02251832301 . . . . . . . 159 LYS HB3 . 51096 1
240 . 1 . 1 25 25 LYS HG2 H 1 1.337141163 0.009797553188 . . . . . . . 159 LYS HG2 . 51096 1
241 . 1 . 1 25 25 LYS HG3 H 1 1.337390867 0.009775890117 . . . . . . . 159 LYS HG3 . 51096 1
242 . 1 . 1 25 25 LYS HD2 H 1 1.593092149 0.01407196607 . . . . . . . 159 LYS HD2 . 51096 1
243 . 1 . 1 25 25 LYS HD3 H 1 1.593931855 0.01358838853 . . . . . . . 159 LYS HD3 . 51096 1
244 . 1 . 1 25 25 LYS HE2 H 1 2.903226554 0.01518632112 . . . . . . . 159 LYS HE2 . 51096 1
245 . 1 . 1 25 25 LYS HE3 H 1 2.903226554 0.01518632112 . . . . . . . 159 LYS HE3 . 51096 1
246 . 1 . 1 25 25 LYS C C 13 175.0280323 0 . . . . . . . 159 LYS C . 51096 1
247 . 1 . 1 25 25 LYS CA C 13 55.68880159 1.3553684 . . . . . . . 159 LYS CA . 51096 1
248 . 1 . 1 25 25 LYS CB C 13 35.84392689 1.438131599 . . . . . . . 159 LYS CB . 51096 1
249 . 1 . 1 25 25 LYS CG C 13 25.42949601 1.298660084 . . . . . . . 159 LYS CG . 51096 1
250 . 1 . 1 25 25 LYS CD C 13 30.17809259 1.419193806 . . . . . . . 159 LYS CD . 51096 1
251 . 1 . 1 25 25 LYS CE C 13 43.01264987 1.415443487 . . . . . . . 159 LYS CE . 51096 1
252 . 1 . 1 25 25 LYS N N 15 120.462381 0.01104031155 . . . . . . . 159 LYS N . 51096 1
253 . 1 . 1 26 26 GLN H H 1 8.311489698 0.01092863001 . . . . . . . 160 GLN H . 51096 1
254 . 1 . 1 26 26 GLN HA H 1 4.471635094 0.0126026698 . . . . . . . 160 GLN HA . 51096 1
255 . 1 . 1 26 26 GLN HB2 H 1 1.718757052 0.0457472951 . . . . . . . 160 GLN HB2 . 51096 1
256 . 1 . 1 26 26 GLN HB3 H 1 1.955678747 0.02855488332 . . . . . . . 160 GLN HB3 . 51096 1
257 . 1 . 1 26 26 GLN HG2 H 1 2.521939827 0.01643751703 . . . . . . . 160 GLN HG2 . 51096 1
258 . 1 . 1 26 26 GLN HG3 H 1 2.521939827 0.01643751703 . . . . . . . 160 GLN HG3 . 51096 1
259 . 1 . 1 26 26 GLN HE21 H 1 6.150674534 0.01005986858 . . . . . . . 160 GLN HE21 . 51096 1
260 . 1 . 1 26 26 GLN HE22 H 1 6.360245944 0.006657594478 . . . . . . . 160 GLN HE22 . 51096 1
261 . 1 . 1 26 26 GLN CA C 13 58.2358616 1.080509675 . . . . . . . 160 GLN CA . 51096 1
262 . 1 . 1 26 26 GLN CB C 13 30.84083747 1.010482885 . . . . . . . 160 GLN CB . 51096 1
263 . 1 . 1 26 26 GLN N N 15 121.2985918 0.01796251755 . . . . . . . 160 GLN N . 51096 1
264 . 1 . 1 26 26 GLN NE2 N 15 109.7926447 0.1120679183 . . . . . . . 160 GLN NE2 . 51096 1
265 . 1 . 1 27 27 VAL H H 1 9.289105698 0.008801394865 . . . . . . . 161 VAL H . 51096 1
266 . 1 . 1 27 27 VAL HA H 1 4.617312318 0.01506077653 . . . . . . . 161 VAL HA . 51096 1
267 . 1 . 1 27 27 VAL HB H 1 2.246138725 0.00658424863 . . . . . . . 161 VAL HB . 51096 1
268 . 1 . 1 27 27 VAL HG11 H 1 0.9742202676 0.01193249129 . . . . . . . 161 VAL HG1# . 51096 1
269 . 1 . 1 27 27 VAL HG12 H 1 0.9742202676 0.01193249129 . . . . . . . 161 VAL HG1# . 51096 1
270 . 1 . 1 27 27 VAL HG13 H 1 0.9742202676 0.01193249129 . . . . . . . 161 VAL HG1# . 51096 1
271 . 1 . 1 27 27 VAL HG21 H 1 1.0138681 0.008225585324 . . . . . . . 161 VAL HG2# . 51096 1
272 . 1 . 1 27 27 VAL HG22 H 1 1.0138681 0.008225585324 . . . . . . . 161 VAL HG2# . 51096 1
273 . 1 . 1 27 27 VAL HG23 H 1 1.0138681 0.008225585324 . . . . . . . 161 VAL HG2# . 51096 1
274 . 1 . 1 27 27 VAL C C 13 173.0030834 0.0350182527 . . . . . . . 161 VAL C . 51096 1
275 . 1 . 1 27 27 VAL CA C 13 61.83666908 1.257651668 . . . . . . . 161 VAL CA . 51096 1
276 . 1 . 1 27 27 VAL CB C 13 36.14270145 1.418770312 . . . . . . . 161 VAL CB . 51096 1
277 . 1 . 1 27 27 VAL CG1 C 13 24.46488761 1.348381604 . . . . . . . 161 VAL CG1 . 51096 1
278 . 1 . 1 27 27 VAL CG2 C 13 22.76040709 1.254507717 . . . . . . . 161 VAL CG2 . 51096 1
279 . 1 . 1 27 27 VAL N N 15 123.5227 0.01479059877 . . . . . . . 161 VAL N . 51096 1
280 . 1 . 1 28 28 GLY H H 1 7.623204476 0.01145075471 . . . . . . . 162 GLY H . 51096 1
281 . 1 . 1 28 28 GLY HA2 H 1 3.681767525 0.0103295468 . . . . . . . 162 GLY HA2 . 51096 1
282 . 1 . 1 28 28 GLY HA3 H 1 3.681767525 0.0103295468 . . . . . . . 162 GLY HA3 . 51096 1
283 . 1 . 1 28 28 GLY C C 13 170.767906 0 . . . . . . . 162 GLY C . 51096 1
284 . 1 . 1 28 28 GLY CA C 13 44.9879455 1.264938448 . . . . . . . 162 GLY CA . 51096 1
285 . 1 . 1 28 28 GLY N N 15 108.9040814 0.004510347404 . . . . . . . 162 GLY N . 51096 1
286 . 1 . 1 29 29 PRO HA H 1 3.269865787 0.01968735868 . . . . . . . 163 PRO HA . 51096 1
287 . 1 . 1 29 29 PRO HB2 H 1 1.530422391 0.0336199819 . . . . . . . 163 PRO HB2 . 51096 1
288 . 1 . 1 29 29 PRO HB3 H 1 1.534258699 0.03288531055 . . . . . . . 163 PRO HB3 . 51096 1
289 . 1 . 1 29 29 PRO HG2 H 1 1.719204535 0 . . . . . . . 163 PRO HG2 . 51096 1
290 . 1 . 1 29 29 PRO HG3 H 1 1.719204535 0 . . . . . . . 163 PRO HG3 . 51096 1
291 . 1 . 1 29 29 PRO HD2 H 1 3.38361971 0 . . . . . . . 163 PRO HD2 . 51096 1
292 . 1 . 1 29 29 PRO HD3 H 1 3.38361971 0 . . . . . . . 163 PRO HD3 . 51096 1
293 . 1 . 1 29 29 PRO CA C 13 62.898836 1.321010273 . . . . . . . 163 PRO CA . 51096 1
294 . 1 . 1 29 29 PRO CB C 13 35.70167256 1.344093629 . . . . . . . 163 PRO CB . 51096 1
295 . 1 . 1 29 29 PRO CG C 13 24.31202492 0.06635639724 . . . . . . . 163 PRO CG . 51096 1
296 . 1 . 1 29 29 PRO CD C 13 50.02850464 0.02934320543 . . . . . . . 163 PRO CD . 51096 1
297 . 1 . 1 30 30 PHE H H 1 9.813674902 0.00894596048 . . . . . . . 164 PHE H . 51096 1
298 . 1 . 1 30 30 PHE HA H 1 5.229905065 0.0108535776 . . . . . . . 164 PHE HA . 51096 1
299 . 1 . 1 30 30 PHE HB2 H 1 2.599633341 0.009303664828 . . . . . . . 164 PHE HB2 . 51096 1
300 . 1 . 1 30 30 PHE HB3 H 1 3.334317268 0.01249719982 . . . . . . . 164 PHE HB3 . 51096 1
301 . 1 . 1 30 30 PHE HD1 H 1 7.024180538 0.008035310837 . . . . . . . 164 PHE HD# . 51096 1
302 . 1 . 1 30 30 PHE HD2 H 1 7.024180538 0.008035310837 . . . . . . . 164 PHE HD# . 51096 1
303 . 1 . 1 30 30 PHE HE1 H 1 7.085904534 0.01900956916 . . . . . . . 164 PHE HE# . 51096 1
304 . 1 . 1 30 30 PHE HE2 H 1 7.085904534 0.01900956916 . . . . . . . 164 PHE HE# . 51096 1
305 . 1 . 1 30 30 PHE C C 13 175.500566 0.0231412488 . . . . . . . 164 PHE C . 51096 1
306 . 1 . 1 30 30 PHE CA C 13 55.93243026 1.375270881 . . . . . . . 164 PHE CA . 51096 1
307 . 1 . 1 30 30 PHE CB C 13 45.59713143 1.241161177 . . . . . . . 164 PHE CB . 51096 1
308 . 1 . 1 30 30 PHE CD1 C 13 131.6753563 0 . . . . . . . 164 PHE CD# . 51096 1
309 . 1 . 1 30 30 PHE CD2 C 13 131.6753563 0 . . . . . . . 164 PHE CD# . 51096 1
310 . 1 . 1 30 30 PHE CE1 C 13 131.6753563 0 . . . . . . . 164 PHE CE# . 51096 1
311 . 1 . 1 30 30 PHE CE2 C 13 131.6753563 0 . . . . . . . 164 PHE CE# . 51096 1
312 . 1 . 1 30 30 PHE N N 15 121.4098362 0.03458382887 . . . . . . . 164 PHE N . 51096 1
313 . 1 . 1 31 31 ASN H H 1 8.147848581 0.008199621522 . . . . . . . 165 ASN H . 51096 1
314 . 1 . 1 31 31 ASN HA H 1 5.20697134 0.007045158874 . . . . . . . 165 ASN HA . 51096 1
315 . 1 . 1 31 31 ASN HB2 H 1 2.870085945 0.009617497055 . . . . . . . 165 ASN HB2 . 51096 1
316 . 1 . 1 31 31 ASN HB3 H 1 3.319545537 0.008273147202 . . . . . . . 165 ASN HB3 . 51096 1
317 . 1 . 1 31 31 ASN HD21 H 1 6.797779257 0.004908153567 . . . . . . . 165 ASN HD21 . 51096 1
318 . 1 . 1 31 31 ASN HD22 H 1 7.546772138 0.00604032027 . . . . . . . 165 ASN HD22 . 51096 1
319 . 1 . 1 31 31 ASN C C 13 176.4604321 0.06158052515 . . . . . . . 165 ASN C . 51096 1
320 . 1 . 1 31 31 ASN CA C 13 52.95160746 1.377807677 . . . . . . . 165 ASN CA . 51096 1
321 . 1 . 1 31 31 ASN CB C 13 40.87440145 1.383459758 . . . . . . . 165 ASN CB . 51096 1
322 . 1 . 1 31 31 ASN N N 15 117.889806 0.009218876466 . . . . . . . 165 ASN N . 51096 1
323 . 1 . 1 31 31 ASN ND2 N 15 110.7715045 0.2006518868 . . . . . . . 165 ASN ND2 . 51096 1
324 . 1 . 1 32 32 VAL H H 1 8.753125468 0.009621653474 . . . . . . . 166 VAL H . 51096 1
325 . 1 . 1 32 32 VAL HA H 1 3.358565753 0.01025332995 . . . . . . . 166 VAL HA . 51096 1
326 . 1 . 1 32 32 VAL HB H 1 2.02992796 0.01694099939 . . . . . . . 166 VAL HB . 51096 1
327 . 1 . 1 32 32 VAL HG11 H 1 1.063733431 0.02959899362 . . . . . . . 166 VAL HG1# . 51096 1
328 . 1 . 1 32 32 VAL HG12 H 1 1.063733431 0.02959899362 . . . . . . . 166 VAL HG1# . 51096 1
329 . 1 . 1 32 32 VAL HG13 H 1 1.063733431 0.02959899362 . . . . . . . 166 VAL HG1# . 51096 1
330 . 1 . 1 32 32 VAL HG21 H 1 1.063733431 0.02959899362 . . . . . . . 166 VAL HG2# . 51096 1
331 . 1 . 1 32 32 VAL HG22 H 1 1.063733431 0.02959899362 . . . . . . . 166 VAL HG2# . 51096 1
332 . 1 . 1 32 32 VAL HG23 H 1 1.063733431 0.02959899362 . . . . . . . 166 VAL HG2# . 51096 1
333 . 1 . 1 32 32 VAL C C 13 175.9944165 0.0548052125 . . . . . . . 166 VAL C . 51096 1
334 . 1 . 1 32 32 VAL CA C 13 68.38673755 1.375865471 . . . . . . . 166 VAL CA . 51096 1
335 . 1 . 1 32 32 VAL CB C 13 33.32145023 1.383860896 . . . . . . . 166 VAL CB . 51096 1
336 . 1 . 1 32 32 VAL CG2 C 13 22.81106046 1.238733185 . . . . . . . 166 VAL CG2 . 51096 1
337 . 1 . 1 32 32 VAL N N 15 119.2477916 0.08972841388 . . . . . . . 166 VAL N . 51096 1
338 . 1 . 1 33 33 GLU H H 1 8.190650163 0.005720272167 . . . . . . . 167 GLU H . 51096 1
339 . 1 . 1 33 33 GLU HA H 1 4.014539389 0.003832211293 . . . . . . . 167 GLU HA . 51096 1
340 . 1 . 1 33 33 GLU HB2 H 1 1.924728039 0.01955221736 . . . . . . . 167 GLU HB2 . 51096 1
341 . 1 . 1 33 33 GLU HB3 H 1 1.924728039 0.01955221736 . . . . . . . 167 GLU HB3 . 51096 1
342 . 1 . 1 33 33 GLU HG2 H 1 2.231512236 0.008178355771 . . . . . . . 167 GLU HG2 . 51096 1
343 . 1 . 1 33 33 GLU HG3 H 1 2.231512236 0.008178355771 . . . . . . . 167 GLU HG3 . 51096 1
344 . 1 . 1 33 33 GLU C C 13 178.6286151 0.06225555218 . . . . . . . 167 GLU C . 51096 1
345 . 1 . 1 33 33 GLU CA C 13 59.97399401 0.1528798293 . . . . . . . 167 GLU CA . 51096 1
346 . 1 . 1 33 33 GLU CB C 13 29.31317474 1.305416357 . . . . . . . 167 GLU CB . 51096 1
347 . 1 . 1 33 33 GLU CG C 13 36.00577666 1.14404 . . . . . . . 167 GLU CG . 51096 1
348 . 1 . 1 33 33 GLU N N 15 120.5991495 0.01211006665 . . . . . . . 167 GLU N . 51096 1
349 . 1 . 1 34 34 LYS H H 1 7.784128785 0.01172392426 . . . . . . . 168 LYS H . 51096 1
350 . 1 . 1 34 34 LYS HA H 1 4.125353023 0.009146795912 . . . . . . . 168 LYS HA . 51096 1
351 . 1 . 1 34 34 LYS HB2 H 1 1.845384701 0.009238081526 . . . . . . . 168 LYS HB2 . 51096 1
352 . 1 . 1 34 34 LYS HB3 H 1 1.845384701 0.009238081526 . . . . . . . 168 LYS HB3 . 51096 1
353 . 1 . 1 34 34 LYS HG2 H 1 1.255015341 0.01559286789 . . . . . . . 168 LYS HG2 . 51096 1
354 . 1 . 1 34 34 LYS HG3 H 1 1.256037947 0.01522201056 . . . . . . . 168 LYS HG3 . 51096 1
355 . 1 . 1 34 34 LYS HD2 H 1 1.520978088 0.02079513772 . . . . . . . 168 LYS HD2 . 51096 1
356 . 1 . 1 34 34 LYS HD3 H 1 1.520978088 0.02079513772 . . . . . . . 168 LYS HD3 . 51096 1
357 . 1 . 1 34 34 LYS C C 13 178.2652205 0.03360488272 . . . . . . . 168 LYS C . 51096 1
358 . 1 . 1 34 34 LYS CA C 13 58.75145681 1.447936223 . . . . . . . 168 LYS CA . 51096 1
359 . 1 . 1 34 34 LYS CB C 13 33.88702308 1.428054657 . . . . . . . 168 LYS CB . 51096 1
360 . 1 . 1 34 34 LYS CG C 13 25.47525807 1.248367834 . . . . . . . 168 LYS CG . 51096 1
361 . 1 . 1 34 34 LYS CD C 13 30.06561624 1.392623362 . . . . . . . 168 LYS CD . 51096 1
362 . 1 . 1 34 34 LYS CE C 13 42.34243635 0.03825295678 . . . . . . . 168 LYS CE . 51096 1
363 . 1 . 1 34 34 LYS N N 15 120.2380014 0.06261419929 . . . . . . . 168 LYS N . 51096 1
364 . 1 . 1 35 35 VAL H H 1 7.70026999 0.01320673705 . . . . . . . 169 VAL H . 51096 1
365 . 1 . 1 35 35 VAL HA H 1 3.149652431 0.01610467872 . . . . . . . 169 VAL HA . 51096 1
366 . 1 . 1 35 35 VAL HB H 1 1.830325053 0.009408394471 . . . . . . . 169 VAL HB . 51096 1
367 . 1 . 1 35 35 VAL HG11 H 1 0.5044737889 0.01940893365 . . . . . . . 169 VAL HG1# . 51096 1
368 . 1 . 1 35 35 VAL HG12 H 1 0.5044737889 0.01940893365 . . . . . . . 169 VAL HG1# . 51096 1
369 . 1 . 1 35 35 VAL HG13 H 1 0.5044737889 0.01940893365 . . . . . . . 169 VAL HG1# . 51096 1
370 . 1 . 1 35 35 VAL HG21 H 1 0.5044737889 0.01940893365 . . . . . . . 169 VAL HG2# . 51096 1
371 . 1 . 1 35 35 VAL HG22 H 1 0.5044737889 0.01940893365 . . . . . . . 169 VAL HG2# . 51096 1
372 . 1 . 1 35 35 VAL HG23 H 1 0.5044737889 0.01940893365 . . . . . . . 169 VAL HG2# . 51096 1
373 . 1 . 1 35 35 VAL C C 13 176.8700269 0.007201047435 . . . . . . . 169 VAL C . 51096 1
374 . 1 . 1 35 35 VAL CA C 13 69.49687508 1.333714358 . . . . . . . 169 VAL CA . 51096 1
375 . 1 . 1 35 35 VAL CB C 13 32.09480601 1.384461011 . . . . . . . 169 VAL CB . 51096 1
376 . 1 . 1 35 35 VAL CG1 C 13 23.08588977 1.298730208 . . . . . . . 169 VAL CG1 . 51096 1
377 . 1 . 1 35 35 VAL CG2 C 13 23.08588977 1.298730208 . . . . . . . 169 VAL CG2 . 51096 1
378 . 1 . 1 35 35 VAL N N 15 120.6220939 0.03573366709 . . . . . . . 169 VAL N . 51096 1
379 . 1 . 1 36 36 LYS H H 1 8.114084176 0.01112382301 . . . . . . . 170 LYS H . 51096 1
380 . 1 . 1 36 36 LYS HA H 1 3.597940096 0.009703553334 . . . . . . . 170 LYS HA . 51096 1
381 . 1 . 1 36 36 LYS HB2 H 1 1.503708665 0.01432918147 . . . . . . . 170 LYS HB2 . 51096 1
382 . 1 . 1 36 36 LYS HB3 H 1 1.873514252 0.01086354132 . . . . . . . 170 LYS HB3 . 51096 1
383 . 1 . 1 36 36 LYS HG2 H 1 0.9676521055 0.006495449647 . . . . . . . 170 LYS HG2 . 51096 1
384 . 1 . 1 36 36 LYS HG3 H 1 0.9676521055 0.006495449647 . . . . . . . 170 LYS HG3 . 51096 1
385 . 1 . 1 36 36 LYS C C 13 177.1258356 0.02929831255 . . . . . . . 170 LYS C . 51096 1
386 . 1 . 1 36 36 LYS CA C 13 61.33613624 1.407990693 . . . . . . . 170 LYS CA . 51096 1
387 . 1 . 1 36 36 LYS CB C 13 33.50771807 1.433061514 . . . . . . . 170 LYS CB . 51096 1
388 . 1 . 1 36 36 LYS CG C 13 25.87450613 1.195475028 . . . . . . . 170 LYS CG . 51096 1
389 . 1 . 1 36 36 LYS CD C 13 29.56199705 0.09564025745 . . . . . . . 170 LYS CD . 51096 1
390 . 1 . 1 36 36 LYS CE C 13 42.33777225 0.03700012237 . . . . . . . 170 LYS CE . 51096 1
391 . 1 . 1 36 36 LYS N N 15 118.5171002 0.04060091373 . . . . . . . 170 LYS N . 51096 1
392 . 1 . 1 37 37 ASP H H 1 7.493215381 0.01078217891 . . . . . . . 171 ASP H . 51096 1
393 . 1 . 1 37 37 ASP HA H 1 4.315994464 0.01640869399 . . . . . . . 171 ASP HA . 51096 1
394 . 1 . 1 37 37 ASP HB2 H 1 2.696064706 0.007739790712 . . . . . . . 171 ASP HB2 . 51096 1
395 . 1 . 1 37 37 ASP HB3 H 1 2.696064706 0.007739790712 . . . . . . . 171 ASP HB3 . 51096 1
396 . 1 . 1 37 37 ASP C C 13 177.4814948 0.0235331746 . . . . . . . 171 ASP C . 51096 1
397 . 1 . 1 37 37 ASP CA C 13 59.60622066 1.412219563 . . . . . . . 171 ASP CA . 51096 1
398 . 1 . 1 37 37 ASP CB C 13 43.43064366 1.395992657 . . . . . . . 171 ASP CB . 51096 1
399 . 1 . 1 37 37 ASP N N 15 118.8550284 0.02379338945 . . . . . . . 171 ASP N . 51096 1
400 . 1 . 1 38 38 LEU H H 1 7.916419095 0.01243550205 . . . . . . . 172 LEU H . 51096 1
401 . 1 . 1 38 38 LEU HA H 1 3.720125221 0.01136388491 . . . . . . . 172 LEU HA . 51096 1
402 . 1 . 1 38 38 LEU HB2 H 1 1.921241941 0.009839925791 . . . . . . . 172 LEU HB2 . 51096 1
403 . 1 . 1 38 38 LEU HB3 H 1 1.921597044 0.009770919889 . . . . . . . 172 LEU HB3 . 51096 1
404 . 1 . 1 38 38 LEU HD11 H 1 0.6894890998 0.06474096604 . . . . . . . 172 LEU HD1# . 51096 1
405 . 1 . 1 38 38 LEU HD12 H 1 0.6894890998 0.06474096604 . . . . . . . 172 LEU HD1# . 51096 1
406 . 1 . 1 38 38 LEU HD13 H 1 0.6894890998 0.06474096604 . . . . . . . 172 LEU HD1# . 51096 1
407 . 1 . 1 38 38 LEU HD21 H 1 0.6894890998 0.06474096604 . . . . . . . 172 LEU HD2# . 51096 1
408 . 1 . 1 38 38 LEU HD22 H 1 0.6894890998 0.06474096604 . . . . . . . 172 LEU HD2# . 51096 1
409 . 1 . 1 38 38 LEU HD23 H 1 0.6894890998 0.06474096604 . . . . . . . 172 LEU HD2# . 51096 1
410 . 1 . 1 38 38 LEU C C 13 178.8597859 0.1685609481 . . . . . . . 172 LEU C . 51096 1
411 . 1 . 1 38 38 LEU CA C 13 60.33094653 1.287603599 . . . . . . . 172 LEU CA . 51096 1
412 . 1 . 1 38 38 LEU CB C 13 44.43692862 1.360511159 . . . . . . . 172 LEU CB . 51096 1
413 . 1 . 1 38 38 LEU CG C 13 25.92209598 0.01226815403 . . . . . . . 172 LEU CG . 51096 1
414 . 1 . 1 38 38 LEU CD1 C 13 23.04312628 0.005364691494 . . . . . . . 172 LEU CD1 . 51096 1
415 . 1 . 1 38 38 LEU CD2 C 13 23.04312628 0.005364691494 . . . . . . . 172 LEU CD2 . 51096 1
416 . 1 . 1 38 38 LEU N N 15 118.2294373 0.009055267251 . . . . . . . 172 LEU N . 51096 1
417 . 1 . 1 39 39 TRP H H 1 8.419794714 0.008648691262 . . . . . . . 173 TRP H . 51096 1
418 . 1 . 1 39 39 TRP HA H 1 4.044882118 0.006245295048 . . . . . . . 173 TRP HA . 51096 1
419 . 1 . 1 39 39 TRP HB2 H 1 2.731138882 0.01770750932 . . . . . . . 173 TRP HB2 . 51096 1
420 . 1 . 1 39 39 TRP HB3 H 1 3.432926799 0.01594731555 . . . . . . . 173 TRP HB3 . 51096 1
421 . 1 . 1 39 39 TRP HD1 H 1 7.437735054 0.00684998059 . . . . . . . 173 TRP HD1 . 51096 1
422 . 1 . 1 39 39 TRP HE1 H 1 10.59004579 0.006417419957 . . . . . . . 173 TRP HE1 . 51096 1
423 . 1 . 1 39 39 TRP HE3 H 1 6.980667364 0.008892857453 . . . . . . . 173 TRP HE3 . 51096 1
424 . 1 . 1 39 39 TRP HZ2 H 1 7.255508282 0.006620166008 . . . . . . . 173 TRP HZ2 . 51096 1
425 . 1 . 1 39 39 TRP HZ3 H 1 6.417678872 0.003657922504 . . . . . . . 173 TRP HZ3 . 51096 1
426 . 1 . 1 39 39 TRP HH2 H 1 6.86050933 0.01265408177 . . . . . . . 173 TRP HH2 . 51096 1
427 . 1 . 1 39 39 TRP C C 13 180.135286 0.02118029191 . . . . . . . 173 TRP C . 51096 1
428 . 1 . 1 39 39 TRP CA C 13 62.15159074 1.356777599 . . . . . . . 173 TRP CA . 51096 1
429 . 1 . 1 39 39 TRP CB C 13 31.13082667 1.241546009 . . . . . . . 173 TRP CB . 51096 1
430 . 1 . 1 39 39 TRP CD1 C 13 128.4179856 0.00001907348633 . . . . . . . 173 TRP CD1 . 51096 1
431 . 1 . 1 39 39 TRP CE3 C 13 120.9157736 0.00001907348633 . . . . . . . 173 TRP CE3 . 51096 1
432 . 1 . 1 39 39 TRP CZ2 C 13 115.9142989 0.00001348699152 . . . . . . . 173 TRP CZ2 . 51096 1
433 . 1 . 1 39 39 TRP CZ3 C 13 120.9203687 0 . . . . . . . 173 TRP CZ3 . 51096 1
434 . 1 . 1 39 39 TRP CH2 C 13 123.4165109 0.00001907348633 . . . . . . . 173 TRP CH2 . 51096 1
435 . 1 . 1 39 39 TRP N N 15 122.0065255 0.01032326066 . . . . . . . 173 TRP N . 51096 1
436 . 1 . 1 39 39 TRP NE1 N 15 131.9777672 0.1006637618 . . . . . . . 173 TRP NE1 . 51096 1
437 . 1 . 1 40 40 ASP H H 1 9.42297106 0.007444227495 . . . . . . . 174 ASP H . 51096 1
438 . 1 . 1 40 40 ASP HA H 1 4.30853438 0.004970091964 . . . . . . . 174 ASP HA . 51096 1
439 . 1 . 1 40 40 ASP HB2 H 1 2.610420516 0.00789954859 . . . . . . . 174 ASP HB2 . 51096 1
440 . 1 . 1 40 40 ASP HB3 H 1 2.861166265 0.01203031742 . . . . . . . 174 ASP HB3 . 51096 1
441 . 1 . 1 40 40 ASP C C 13 178.6633845 0.03834269055 . . . . . . . 174 ASP C . 51096 1
442 . 1 . 1 40 40 ASP CA C 13 59.10731716 1.418704661 . . . . . . . 174 ASP CA . 51096 1
443 . 1 . 1 40 40 ASP CB C 13 41.83791864 1.231224838 . . . . . . . 174 ASP CB . 51096 1
444 . 1 . 1 40 40 ASP N N 15 123.7165054 0.01120936207 . . . . . . . 174 ASP N . 51096 1
445 . 1 . 1 41 41 ARG H H 1 7.845367157 0.01173466698 . . . . . . . 175 ARG H . 51096 1
446 . 1 . 1 41 41 ARG HA H 1 4.192205747 0.00713969846 . . . . . . . 175 ARG HA . 51096 1
447 . 1 . 1 41 41 ARG HB2 H 1 1.666693692 0.01387563618 . . . . . . . 175 ARG HB2 . 51096 1
448 . 1 . 1 41 41 ARG HB3 H 1 1.957707735 0.01252270626 . . . . . . . 175 ARG HB3 . 51096 1
449 . 1 . 1 41 41 ARG HG2 H 1 1.772611628 0.005390373045 . . . . . . . 175 ARG HG2 . 51096 1
450 . 1 . 1 41 41 ARG HG3 H 1 1.772746469 0.005488816144 . . . . . . . 175 ARG HG3 . 51096 1
451 . 1 . 1 41 41 ARG HD2 H 1 3.044827974 0.01242374583 . . . . . . . 175 ARG HD2 . 51096 1
452 . 1 . 1 41 41 ARG HD3 H 1 3.044860789 0.01238903949 . . . . . . . 175 ARG HD3 . 51096 1
453 . 1 . 1 41 41 ARG HE H 1 7.589428163 0.02980642657 . . . . . . . 175 ARG HE . 51096 1
454 . 1 . 1 41 41 ARG C C 13 176.650661 0.03791188371 . . . . . . . 175 ARG C . 51096 1
455 . 1 . 1 41 41 ARG CA C 13 58.31354047 1.40714116 . . . . . . . 175 ARG CA . 51096 1
456 . 1 . 1 41 41 ARG CB C 13 32.90496696 1.393283586 . . . . . . . 175 ARG CB . 51096 1
457 . 1 . 1 41 41 ARG CG C 13 29.93916228 1.410746097 . . . . . . . 175 ARG CG . 51096 1
458 . 1 . 1 41 41 ARG CD C 13 45.42677747 1.386375833 . . . . . . . 175 ARG CD . 51096 1
459 . 1 . 1 41 41 ARG N N 15 115.9926537 0.1291497551 . . . . . . . 175 ARG N . 51096 1
460 . 1 . 1 41 41 ARG NE N 15 114.9889459 0.2150152794 . . . . . . . 175 ARG NE . 51096 1
461 . 1 . 1 42 42 GLY H H 1 7.866496749 0.0131066526 . . . . . . . 176 GLY H . 51096 1
462 . 1 . 1 42 42 GLY HA2 H 1 3.603703133 0.01810541925 . . . . . . . 176 GLY HA2 . 51096 1
463 . 1 . 1 42 42 GLY HA3 H 1 3.897000011 0.01342519617 . . . . . . . 176 GLY HA3 . 51096 1
464 . 1 . 1 42 42 GLY C C 13 174.5921122 0.03013232521 . . . . . . . 176 GLY C . 51096 1
465 . 1 . 1 42 42 GLY CA C 13 47.40530869 1.301625587 . . . . . . . 176 GLY CA . 51096 1
466 . 1 . 1 42 42 GLY N N 15 108.3608825 0.00869493028 . . . . . . . 176 GLY N . 51096 1
467 . 1 . 1 43 43 GLU H H 1 8.273023972 0.01102585822 . . . . . . . 177 GLU H . 51096 1
468 . 1 . 1 43 43 GLU HA H 1 4.003509854 0.01060496088 . . . . . . . 177 GLU HA . 51096 1
469 . 1 . 1 43 43 GLU HB2 H 1 1.742423921 0.008687879799 . . . . . . . 177 GLU HB2 . 51096 1
470 . 1 . 1 43 43 GLU HB3 H 1 2.093915862 0.01020316883 . . . . . . . 177 GLU HB3 . 51096 1
471 . 1 . 1 43 43 GLU HG2 H 1 2.062863291 0.00697063917 . . . . . . . 177 GLU HG2 . 51096 1
472 . 1 . 1 43 43 GLU HG3 H 1 2.063192942 0.006880892401 . . . . . . . 177 GLU HG3 . 51096 1
473 . 1 . 1 43 43 GLU C C 13 176.3516709 0.02381444003 . . . . . . . 177 GLU C . 51096 1
474 . 1 . 1 43 43 GLU CA C 13 59.62905137 1.418181651 . . . . . . . 177 GLU CA . 51096 1
475 . 1 . 1 43 43 GLU CB C 13 32.55513396 1.424267728 . . . . . . . 177 GLU CB . 51096 1
476 . 1 . 1 43 43 GLU CG C 13 38.71539183 1.427052478 . . . . . . . 177 GLU CG . 51096 1
477 . 1 . 1 43 43 GLU N N 15 119.2807428 0.01193827831 . . . . . . . 177 GLU N . 51096 1
478 . 1 . 1 44 44 VAL H H 1 6.91201039 0.009818460505 . . . . . . . 178 VAL H . 51096 1
479 . 1 . 1 44 44 VAL HA H 1 4.369536475 0.007758161327 . . . . . . . 178 VAL HA . 51096 1
480 . 1 . 1 44 44 VAL HB H 1 2.171660303 0.01295852967 . . . . . . . 178 VAL HB . 51096 1
481 . 1 . 1 44 44 VAL HG11 H 1 0.6477841372 0.01005895492 . . . . . . . 178 VAL HG1# . 51096 1
482 . 1 . 1 44 44 VAL HG12 H 1 0.6477841372 0.01005895492 . . . . . . . 178 VAL HG1# . 51096 1
483 . 1 . 1 44 44 VAL HG13 H 1 0.6477841372 0.01005895492 . . . . . . . 178 VAL HG1# . 51096 1
484 . 1 . 1 44 44 VAL HG21 H 1 0.8543641168 0.01493593281 . . . . . . . 178 VAL HG2# . 51096 1
485 . 1 . 1 44 44 VAL HG22 H 1 0.8543641168 0.01493593281 . . . . . . . 178 VAL HG2# . 51096 1
486 . 1 . 1 44 44 VAL HG23 H 1 0.8543641168 0.01493593281 . . . . . . . 178 VAL HG2# . 51096 1
487 . 1 . 1 44 44 VAL C C 13 173.3153446 0.04576748142 . . . . . . . 178 VAL C . 51096 1
488 . 1 . 1 44 44 VAL CA C 13 59.96634623 1.420128846 . . . . . . . 178 VAL CA . 51096 1
489 . 1 . 1 44 44 VAL CB C 13 36.25630236 1.421138139 . . . . . . . 178 VAL CB . 51096 1
490 . 1 . 1 44 44 VAL CG1 C 13 20.49537058 1.279340591 . . . . . . . 178 VAL CG1 . 51096 1
491 . 1 . 1 44 44 VAL CG2 C 13 24.89448385 1.271867187 . . . . . . . 178 VAL CG2 . 51096 1
492 . 1 . 1 44 44 VAL N N 15 106.7148113 0.008009081029 . . . . . . . 178 VAL N . 51096 1
493 . 1 . 1 45 45 GLY H H 1 8.520687448 0.007118279005 . . . . . . . 179 GLY H . 51096 1
494 . 1 . 1 45 45 GLY HA2 H 1 3.762109058 0.01558746571 . . . . . . . 179 GLY HA2 . 51096 1
495 . 1 . 1 45 45 GLY HA3 H 1 3.960076485 0.01876492588 . . . . . . . 179 GLY HA3 . 51096 1
496 . 1 . 1 45 45 GLY C C 13 172.157608 0 . . . . . . . 179 GLY C . 51096 1
497 . 1 . 1 45 45 GLY CA C 13 47.44885608 1.213508325 . . . . . . . 179 GLY CA . 51096 1
498 . 1 . 1 45 45 GLY N N 15 107.6502101 0.008075136345 . . . . . . . 179 GLY N . 51096 1
499 . 1 . 1 46 46 PRO HA H 1 4.237793725 0.01048927117 . . . . . . . 180 PRO HA . 51096 1
500 . 1 . 1 46 46 PRO HB2 H 1 2.026036104 0.008331382986 . . . . . . . 180 PRO HB2 . 51096 1
501 . 1 . 1 46 46 PRO HB3 H 1 2.504134097 0.006381775667 . . . . . . . 180 PRO HB3 . 51096 1
502 . 1 . 1 46 46 PRO HG2 H 1 2.016344965 0.005667821114 . . . . . . . 180 PRO HG2 . 51096 1
503 . 1 . 1 46 46 PRO HG3 H 1 2.079112742 0.002332113149 . . . . . . . 180 PRO HG3 . 51096 1
504 . 1 . 1 46 46 PRO C C 13 175.8849516 0.03782860142 . . . . . . . 180 PRO C . 51096 1
505 . 1 . 1 46 46 PRO CA C 13 67.80601285 1.265443528 . . . . . . . 180 PRO CA . 51096 1
506 . 1 . 1 46 46 PRO CB C 13 34.64049628 1.220546359 . . . . . . . 180 PRO CB . 51096 1
507 . 1 . 1 46 46 PRO CG C 13 29.73367069 0.9458893489 . . . . . . . 180 PRO CG . 51096 1
508 . 1 . 1 46 46 PRO CD C 13 49.44532329 0.02974016806 . . . . . . . 180 PRO CD . 51096 1
509 . 1 . 1 47 47 ASP H H 1 8.295279687 0.01110499503 . . . . . . . 181 ASP H . 51096 1
510 . 1 . 1 47 47 ASP HA H 1 4.675307834 0.01196425127 . . . . . . . 181 ASP HA . 51096 1
511 . 1 . 1 47 47 ASP HB2 H 1 2.546826091 0.009039221931 . . . . . . . 181 ASP HB2 . 51096 1
512 . 1 . 1 47 47 ASP HB3 H 1 2.720905054 0.009043242732 . . . . . . . 181 ASP HB3 . 51096 1
513 . 1 . 1 47 47 ASP C C 13 177.0555631 0.06073571449 . . . . . . . 181 ASP C . 51096 1
514 . 1 . 1 47 47 ASP CA C 13 53.81875169 0.05735210436 . . . . . . . 181 ASP CA . 51096 1
515 . 1 . 1 47 47 ASP CB C 13 42.57771394 1.414671541 . . . . . . . 181 ASP CB . 51096 1
516 . 1 . 1 47 47 ASP N N 15 111.5660195 0.008250810228 . . . . . . . 181 ASP N . 51096 1
517 . 1 . 1 48 48 SER H H 1 8.182864695 0.007059624207 . . . . . . . 182 SER H . 51096 1
518 . 1 . 1 48 48 SER HA H 1 4.419166815 0.01107809723 . . . . . . . 182 SER HA . 51096 1
519 . 1 . 1 48 48 SER HB2 H 1 3.775183204 0.00359481188 . . . . . . . 182 SER HB2 . 51096 1
520 . 1 . 1 48 48 SER HB3 H 1 3.775183204 0.00359481188 . . . . . . . 182 SER HB3 . 51096 1
521 . 1 . 1 48 48 SER C C 13 172.6258884 0.0225327996 . . . . . . . 182 SER C . 51096 1
522 . 1 . 1 48 48 SER CA C 13 61.67155919 1.412267153 . . . . . . . 182 SER CA . 51096 1
523 . 1 . 1 48 48 SER CB C 13 63.11671264 0.9391131574 . . . . . . . 182 SER CB . 51096 1
524 . 1 . 1 48 48 SER N N 15 119.4919755 0.03700987849 . . . . . . . 182 SER N . 51096 1
525 . 1 . 1 49 49 LEU H H 1 8.776246878 0.009003058069 . . . . . . . 183 LEU H . 51096 1
526 . 1 . 1 49 49 LEU HA H 1 4.604261943 0.01164955835 . . . . . . . 183 LEU HA . 51096 1
527 . 1 . 1 49 49 LEU HB2 H 1 1.661580756 0.01654361807 . . . . . . . 183 LEU HB2 . 51096 1
528 . 1 . 1 49 49 LEU HB3 H 1 1.930394746 0.009708436155 . . . . . . . 183 LEU HB3 . 51096 1
529 . 1 . 1 49 49 LEU HG H 1 0.7739429031 0.001977030564 . . . . . . . 183 LEU HG . 51096 1
530 . 1 . 1 49 49 LEU HD11 H 1 0.6711766686 0.003414110344 . . . . . . . 183 LEU HD1# . 51096 1
531 . 1 . 1 49 49 LEU HD12 H 1 0.6711766686 0.003414110344 . . . . . . . 183 LEU HD1# . 51096 1
532 . 1 . 1 49 49 LEU HD13 H 1 0.6711766686 0.003414110344 . . . . . . . 183 LEU HD1# . 51096 1
533 . 1 . 1 49 49 LEU HD21 H 1 0.6711766686 0.003414110344 . . . . . . . 183 LEU HD2# . 51096 1
534 . 1 . 1 49 49 LEU HD22 H 1 0.6711766686 0.003414110344 . . . . . . . 183 LEU HD2# . 51096 1
535 . 1 . 1 49 49 LEU HD23 H 1 0.6711766686 0.003414110344 . . . . . . . 183 LEU HD2# . 51096 1
536 . 1 . 1 49 49 LEU C C 13 175.5563776 0.02297322338 . . . . . . . 183 LEU C . 51096 1
537 . 1 . 1 49 49 LEU CA C 13 55.89469913 1.389534805 . . . . . . . 183 LEU CA . 51096 1
538 . 1 . 1 49 49 LEU CB C 13 45.97884684 1.350550525 . . . . . . . 183 LEU CB . 51096 1
539 . 1 . 1 49 49 LEU CG C 13 27.85037908 1.066124716 . . . . . . . 183 LEU CG . 51096 1
540 . 1 . 1 49 49 LEU CD1 C 13 24.61058989 1.035073476 . . . . . . . 183 LEU CD1 . 51096 1
541 . 1 . 1 49 49 LEU N N 15 124.2229681 0.01265948074 . . . . . . . 183 LEU N . 51096 1
542 . 1 . 1 50 50 CYS H H 1 9.631299472 0.02696742657 . . . . . . . 184 CYS H . 51096 1
543 . 1 . 1 50 50 CYS HA H 1 6.056270204 0.008324467488 . . . . . . . 184 CYS HA . 51096 1
544 . 1 . 1 50 50 CYS HB2 H 1 2.812130599 0.01468951445 . . . . . . . 184 CYS HB2 . 51096 1
545 . 1 . 1 50 50 CYS HB3 H 1 2.933777152 0.01417821302 . . . . . . . 184 CYS HB3 . 51096 1
546 . 1 . 1 50 50 CYS C C 13 171.8539776 0.02599946625 . . . . . . . 184 CYS C . 51096 1
547 . 1 . 1 50 50 CYS CA C 13 58.29575219 1.289959987 . . . . . . . 184 CYS CA . 51096 1
548 . 1 . 1 50 50 CYS CB C 13 35.67293566 1.252305596 . . . . . . . 184 CYS CB . 51096 1
549 . 1 . 1 50 50 CYS N N 15 117.73596 0.009554291887 . . . . . . . 184 CYS N . 51096 1
550 . 1 . 1 51 51 TRP H H 1 8.434102587 0.009491830047 . . . . . . . 185 TRP H . 51096 1
551 . 1 . 1 51 51 TRP HA H 1 4.041155531 0.005100877297 . . . . . . . 185 TRP HA . 51096 1
552 . 1 . 1 51 51 TRP HB2 H 1 3.315845206 0.01254430339 . . . . . . . 185 TRP HB2 . 51096 1
553 . 1 . 1 51 51 TRP HB3 H 1 3.315845206 0.01254430339 . . . . . . . 185 TRP HB3 . 51096 1
554 . 1 . 1 51 51 TRP HE1 H 1 9.172866981 0.01994069762 . . . . . . . 185 TRP HE1 . 51096 1
555 . 1 . 1 51 51 TRP HZ2 H 1 7.191159775 0.04684059483 . . . . . . . 185 TRP HZ2 . 51096 1
556 . 1 . 1 51 51 TRP C C 13 172.5085497 0 . . . . . . . 185 TRP C . 51096 1
557 . 1 . 1 51 51 TRP CA C 13 60.70986386 1.287785511 . . . . . . . 185 TRP CA . 51096 1
558 . 1 . 1 51 51 TRP CB C 13 29.99382039 0.07391169428 . . . . . . . 185 TRP CB . 51096 1
559 . 1 . 1 51 51 TRP CZ2 C 13 114.6639303 0 . . . . . . . 185 TRP CZ2 . 51096 1
560 . 1 . 1 51 51 TRP N N 15 117.8264294 0.02410727221 . . . . . . . 185 TRP N . 51096 1
561 . 1 . 1 51 51 TRP NE1 N 15 127.0160532 0.04681342366 . . . . . . . 185 TRP NE1 . 51096 1
562 . 1 . 1 52 52 ARG HA H 1 3.479339163 0.01560984384 . . . . . . . 186 ARG HA . 51096 1
563 . 1 . 1 52 52 ARG HB2 H 1 0.005582278287 0.005069440737 . . . . . . . 186 ARG HB2 . 51096 1
564 . 1 . 1 52 52 ARG HB3 H 1 0.005582278287 0.005069440737 . . . . . . . 186 ARG HB3 . 51096 1
565 . 1 . 1 52 52 ARG HG2 H 1 -0.9856319088 0.009460529217 . . . . . . . 186 ARG HG2 . 51096 1
566 . 1 . 1 52 52 ARG HG3 H 1 -0.5443721255 0.007861636686 . . . . . . . 186 ARG HG3 . 51096 1
567 . 1 . 1 52 52 ARG HD2 H 1 0.5505914724 0.009454019253 . . . . . . . 186 ARG HD2 . 51096 1
568 . 1 . 1 52 52 ARG HD3 H 1 0.5505914724 0.009454019253 . . . . . . . 186 ARG HD3 . 51096 1
569 . 1 . 1 52 52 ARG HE H 1 6.33146203 0.0153883819 . . . . . . . 186 ARG HE . 51096 1
570 . 1 . 1 52 52 ARG CA C 13 53.49619318 0.1238809476 . . . . . . . 186 ARG CA . 51096 1
571 . 1 . 1 52 52 ARG CB C 13 32.28203942 0.1469059269 . . . . . . . 186 ARG CB . 51096 1
572 . 1 . 1 52 52 ARG CG C 13 22.79892036 0.1253478795 . . . . . . . 186 ARG CG . 51096 1
573 . 1 . 1 52 52 ARG CD C 13 42.97181817 0.1271367699 . . . . . . . 186 ARG CD . 51096 1
574 . 1 . 1 52 52 ARG NE N 15 115.2489157 0.03865249896 . . . . . . . 186 ARG NE . 51096 1
575 . 1 . 1 53 53 SER H H 1 7.959647539 0.007929118271 . . . . . . . 187 SER H . 51096 1
576 . 1 . 1 53 53 SER HA H 1 3.34107949 0.02456627608 . . . . . . . 187 SER HA . 51096 1
577 . 1 . 1 53 53 SER HB2 H 1 3.274126497 0.02556403481 . . . . . . . 187 SER HB2 . 51096 1
578 . 1 . 1 53 53 SER HB3 H 1 3.274130733 0.02603312915 . . . . . . . 187 SER HB3 . 51096 1
579 . 1 . 1 53 53 SER CA C 13 60.62988678 1.216907108 . . . . . . . 187 SER CA . 51096 1
580 . 1 . 1 53 53 SER CB C 13 64.29299153 1.208739581 . . . . . . . 187 SER CB . 51096 1
581 . 1 . 1 53 53 SER N N 15 113.2535766 0.04966086464 . . . . . . . 187 SER N . 51096 1
582 . 1 . 1 54 54 GLY H H 1 8.55276114 0.008618440327 . . . . . . . 188 GLY H . 51096 1
583 . 1 . 1 54 54 GLY HA2 H 1 4.239540056 0.008553583293 . . . . . . . 188 GLY HA2 . 51096 1
584 . 1 . 1 54 54 GLY HA3 H 1 4.239730664 0.008764335225 . . . . . . . 188 GLY HA3 . 51096 1
585 . 1 . 1 54 54 GLY C C 13 175.2092572 0.03459183061 . . . . . . . 188 GLY C . 51096 1
586 . 1 . 1 54 54 GLY CA C 13 45.93222884 1.406130884 . . . . . . . 188 GLY CA . 51096 1
587 . 1 . 1 54 54 GLY N N 15 116.5035619 0.01286138944 . . . . . . . 188 GLY N . 51096 1
588 . 1 . 1 55 55 PHE H H 1 7.82596248 0.01007959365 . . . . . . . 189 PHE H . 51096 1
589 . 1 . 1 55 55 PHE HA H 1 4.704803253 0.02184400041 . . . . . . . 189 PHE HA . 51096 1
590 . 1 . 1 55 55 PHE HB2 H 1 2.830584054 0.006017427924 . . . . . . . 189 PHE HB2 . 51096 1
591 . 1 . 1 55 55 PHE HB3 H 1 3.264114369 0.009552871508 . . . . . . . 189 PHE HB3 . 51096 1
592 . 1 . 1 55 55 PHE HD1 H 1 7.054841958 0.0125836199 . . . . . . . 189 PHE HD# . 51096 1
593 . 1 . 1 55 55 PHE HD2 H 1 7.054841958 0.0125836199 . . . . . . . 189 PHE HD# . 51096 1
594 . 1 . 1 55 55 PHE HE1 H 1 6.331463795 0.007868658382 . . . . . . . 189 PHE HE# . 51096 1
595 . 1 . 1 55 55 PHE HE2 H 1 6.331463795 0.007868658382 . . . . . . . 189 PHE HE# . 51096 1
596 . 1 . 1 55 55 PHE C C 13 177.3516909 0.03286895797 . . . . . . . 189 PHE C . 51096 1
597 . 1 . 1 55 55 PHE CA C 13 55.14250197 0.04046465666 . . . . . . . 189 PHE CA . 51096 1
598 . 1 . 1 55 55 PHE CB C 13 39.35987324 1.292956285 . . . . . . . 189 PHE CB . 51096 1
599 . 1 . 1 55 55 PHE CD1 C 13 129.6063832 0.09466237735 . . . . . . . 189 PHE CD# . 51096 1
600 . 1 . 1 55 55 PHE CD2 C 13 129.6063832 0.09466237735 . . . . . . . 189 PHE CD# . 51096 1
601 . 1 . 1 55 55 PHE CE1 C 13 125.8011646 0.09745892949 . . . . . . . 189 PHE CE# . 51096 1
602 . 1 . 1 55 55 PHE CE2 C 13 125.8011646 0.09745892949 . . . . . . . 189 PHE CE# . 51096 1
603 . 1 . 1 55 55 PHE N N 15 122.2446807 0.05100064579 . . . . . . . 189 PHE N . 51096 1
604 . 1 . 1 56 56 SER H H 1 8.907667868 0.002257173571 . . . . . . . 190 SER H . 51096 1
605 . 1 . 1 56 56 SER HA H 1 4.372150325 0.005950132223 . . . . . . . 190 SER HA . 51096 1
606 . 1 . 1 56 56 SER HB2 H 1 3.871074393 0.0126055934 . . . . . . . 190 SER HB2 . 51096 1
607 . 1 . 1 56 56 SER HB3 H 1 3.871144944 0.01316384437 . . . . . . . 190 SER HB3 . 51096 1
608 . 1 . 1 56 56 SER C C 13 173.6894727 0.04465810149 . . . . . . . 190 SER C . 51096 1
609 . 1 . 1 56 56 SER CA C 13 61.44757772 1.41588294 . . . . . . . 190 SER CA . 51096 1
610 . 1 . 1 56 56 SER CB C 13 63.81987294 0.9383354368 . . . . . . . 190 SER CB . 51096 1
611 . 1 . 1 56 56 SER N N 15 118.6340124 0.008836701239 . . . . . . . 190 SER N . 51096 1
612 . 1 . 1 57 57 ASP H H 1 7.877848857 0.007787066686 . . . . . . . 191 ASP H . 51096 1
613 . 1 . 1 57 57 ASP HA H 1 5.045886533 0.00780763978 . . . . . . . 191 ASP HA . 51096 1
614 . 1 . 1 57 57 ASP HB2 H 1 2.380900567 0.009146975339 . . . . . . . 191 ASP HB2 . 51096 1
615 . 1 . 1 57 57 ASP HB3 H 1 2.685539894 0.01641028479 . . . . . . . 191 ASP HB3 . 51096 1
616 . 1 . 1 57 57 ASP C C 13 174.9535521 0.01225486369 . . . . . . . 191 ASP C . 51096 1
617 . 1 . 1 57 57 ASP CA C 13 54.59891509 1.386593824 . . . . . . . 191 ASP CA . 51096 1
618 . 1 . 1 57 57 ASP CB C 13 46.14009253 1.340455797 . . . . . . . 191 ASP CB . 51096 1
619 . 1 . 1 57 57 ASP N N 15 118.8435147 0.02367586653 . . . . . . . 191 ASP N . 51096 1
620 . 1 . 1 58 58 TRP H H 1 9.122843425 0.008153489667 . . . . . . . 192 TRP H . 51096 1
621 . 1 . 1 58 58 TRP HA H 1 5.106280123 0.01002505738 . . . . . . . 192 TRP HA . 51096 1
622 . 1 . 1 58 58 TRP HB2 H 1 2.99056188 0.0125383124 . . . . . . . 192 TRP HB2 . 51096 1
623 . 1 . 1 58 58 TRP HB3 H 1 3.173724933 0.009625958624 . . . . . . . 192 TRP HB3 . 51096 1
624 . 1 . 1 58 58 TRP HD1 H 1 7.192681541 0.003555558958 . . . . . . . 192 TRP HD1 . 51096 1
625 . 1 . 1 58 58 TRP HE1 H 1 9.265917563 0.0134786434 . . . . . . . 192 TRP HE1 . 51096 1
626 . 1 . 1 58 58 TRP HE3 H 1 7.153726939 0.01179205985 . . . . . . . 192 TRP HE3 . 51096 1
627 . 1 . 1 58 58 TRP HZ2 H 1 6.665286517 0.009416342762 . . . . . . . 192 TRP HZ2 . 51096 1
628 . 1 . 1 58 58 TRP C C 13 176.5712521 0.0195973651 . . . . . . . 192 TRP C . 51096 1
629 . 1 . 1 58 58 TRP CA C 13 60.32945724 1.343902235 . . . . . . . 192 TRP CA . 51096 1
630 . 1 . 1 58 58 TRP CB C 13 31.23084528 1.238981573 . . . . . . . 192 TRP CB . 51096 1
631 . 1 . 1 58 58 TRP CD1 C 13 128.3023502 0.0740704854 . . . . . . . 192 TRP CD1 . 51096 1
632 . 1 . 1 58 58 TRP CE3 C 13 120.9157736 0.00003015782986 . . . . . . . 192 TRP CE3 . 51096 1
633 . 1 . 1 58 58 TRP CZ2 C 13 114.6639303 0 . . . . . . . 192 TRP CZ2 . 51096 1
634 . 1 . 1 58 58 TRP N N 15 122.582226 0.01338853071 . . . . . . . 192 TRP N . 51096 1
635 . 1 . 1 58 58 TRP NE1 N 15 131.0513256 0.07563099358 . . . . . . . 192 TRP NE1 . 51096 1
636 . 1 . 1 59 59 ILE H H 1 9.129535711 0.008816339803 . . . . . . . 193 ILE H . 51096 1
637 . 1 . 1 59 59 ILE HA H 1 4.959164483 0.005822444858 . . . . . . . 193 ILE HA . 51096 1
638 . 1 . 1 59 59 ILE HB H 1 1.779174162 0.0165145217 . . . . . . . 193 ILE HB . 51096 1
639 . 1 . 1 59 59 ILE HG12 H 1 1.441788354 0.01690309122 . . . . . . . 193 ILE HG12 . 51096 1
640 . 1 . 1 59 59 ILE HG13 H 1 1.441861598 0.01688977007 . . . . . . . 193 ILE HG13 . 51096 1
641 . 1 . 1 59 59 ILE HG21 H 1 0.8271289008 0.01461052893 . . . . . . . 193 ILE HG2# . 51096 1
642 . 1 . 1 59 59 ILE HG22 H 1 0.8271289008 0.01461052893 . . . . . . . 193 ILE HG2# . 51096 1
643 . 1 . 1 59 59 ILE HG23 H 1 0.8271289008 0.01461052893 . . . . . . . 193 ILE HG2# . 51096 1
644 . 1 . 1 59 59 ILE HD11 H 1 0.4659635192 0.0184132499 . . . . . . . 193 ILE HD1# . 51096 1
645 . 1 . 1 59 59 ILE HD12 H 1 0.4659635192 0.0184132499 . . . . . . . 193 ILE HD1# . 51096 1
646 . 1 . 1 59 59 ILE HD13 H 1 0.4659635192 0.0184132499 . . . . . . . 193 ILE HD1# . 51096 1
647 . 1 . 1 59 59 ILE C C 13 173.1660462 0 . . . . . . . 193 ILE C . 51096 1
648 . 1 . 1 59 59 ILE CA C 13 60.5116638 1.398732299 . . . . . . . 193 ILE CA . 51096 1
649 . 1 . 1 59 59 ILE CB C 13 43.02112194 1.42348348 . . . . . . . 193 ILE CB . 51096 1
650 . 1 . 1 59 59 ILE CG1 C 13 26.97938041 1.418712209 . . . . . . . 193 ILE CG1 . 51096 1
651 . 1 . 1 59 59 ILE CG2 C 13 20.03580605 1.392559562 . . . . . . . 193 ILE CG2 . 51096 1
652 . 1 . 1 59 59 ILE CD1 C 13 16.00336583 1.351593108 . . . . . . . 193 ILE CD1 . 51096 1
653 . 1 . 1 59 59 ILE N N 15 119.5810145 0.03213186537 . . . . . . . 193 ILE N . 51096 1
654 . 1 . 1 60 60 PRO HA H 1 4.646421553 0.005148138175 . . . . . . . 194 PRO HA . 51096 1
655 . 1 . 1 60 60 PRO HB2 H 1 1.809142561 0.03440353757 . . . . . . . 194 PRO HB2 . 51096 1
656 . 1 . 1 60 60 PRO HB3 H 1 2.463065682 0.004902634584 . . . . . . . 194 PRO HB3 . 51096 1
657 . 1 . 1 60 60 PRO C C 13 179.4509281 0.0199056262 . . . . . . . 194 PRO C . 51096 1
658 . 1 . 1 60 60 PRO CA C 13 63.24042258 0.06974281092 . . . . . . . 194 PRO CA . 51096 1
659 . 1 . 1 60 60 PRO CB C 13 34.09108709 1.410888727 . . . . . . . 194 PRO CB . 51096 1
660 . 1 . 1 61 61 LEU H H 1 9.224136749 0.01034424652 . . . . . . . 195 LEU H . 51096 1
661 . 1 . 1 61 61 LEU HA H 1 3.997259584 0.02142684538 . . . . . . . 195 LEU HA . 51096 1
662 . 1 . 1 61 61 LEU HB2 H 1 1.209850207 0.01686264451 . . . . . . . 195 LEU HB2 . 51096 1
663 . 1 . 1 61 61 LEU HB3 H 1 1.974340561 0.01853693745 . . . . . . . 195 LEU HB3 . 51096 1
664 . 1 . 1 61 61 LEU C C 13 179.6859689 0.02083946649 . . . . . . . 195 LEU C . 51096 1
665 . 1 . 1 61 61 LEU CA C 13 60.82926222 1.396738988 . . . . . . . 195 LEU CA . 51096 1
666 . 1 . 1 61 61 LEU CB C 13 44.31195128 1.406632083 . . . . . . . 195 LEU CB . 51096 1
667 . 1 . 1 61 61 LEU CG C 13 26.56677101 0.03925979882 . . . . . . . 195 LEU CG . 51096 1
668 . 1 . 1 61 61 LEU CD1 C 13 24.94375522 0.07429446293 . . . . . . . 195 LEU CD1 . 51096 1
669 . 1 . 1 61 61 LEU CD2 C 13 24.94375522 0.07429446293 . . . . . . . 195 LEU CD2 . 51096 1
670 . 1 . 1 61 61 LEU N N 15 128.1032822 0.01133721866 . . . . . . . 195 LEU N . 51096 1
671 . 1 . 1 62 62 SER H H 1 8.690422408 0.00959698109 . . . . . . . 196 SER H . 51096 1
672 . 1 . 1 62 62 SER HA H 1 3.94362298 0.02430297146 . . . . . . . 196 SER HA . 51096 1
673 . 1 . 1 62 62 SER HB2 H 1 3.860659213 0.018378702 . . . . . . . 196 SER HB2 . 51096 1
674 . 1 . 1 62 62 SER HB3 H 1 3.861145093 0.01724230236 . . . . . . . 196 SER HB3 . 51096 1
675 . 1 . 1 62 62 SER C C 13 175.0394998 0.04013524192 . . . . . . . 196 SER C . 51096 1
676 . 1 . 1 62 62 SER CA C 13 61.93177993 1.402833711 . . . . . . . 196 SER CA . 51096 1
677 . 1 . 1 62 62 SER CB C 13 63.88788189 1.400692279 . . . . . . . 196 SER CB . 51096 1
678 . 1 . 1 62 62 SER N N 15 110.0443172 0.04380232123 . . . . . . . 196 SER N . 51096 1
679 . 1 . 1 63 63 GLU H H 1 7.56336657 0.008687539825 . . . . . . . 197 GLU H . 51096 1
680 . 1 . 1 63 63 GLU HA H 1 4.382311564 0.01049752325 . . . . . . . 197 GLU HA . 51096 1
681 . 1 . 1 63 63 GLU HB2 H 1 1.660365621 0.01069857582 . . . . . . . 197 GLU HB2 . 51096 1
682 . 1 . 1 63 63 GLU HB3 H 1 2.30205504 0.01069762535 . . . . . . . 197 GLU HB3 . 51096 1
683 . 1 . 1 63 63 GLU HG2 H 1 2.188298402 0.0146277685 . . . . . . . 197 GLU HG2 . 51096 1
684 . 1 . 1 63 63 GLU HG3 H 1 2.188298402 0.0146277685 . . . . . . . 197 GLU HG3 . 51096 1
685 . 1 . 1 63 63 GLU C C 13 175.5961309 0.06135248949 . . . . . . . 197 GLU C . 51096 1
686 . 1 . 1 63 63 GLU CA C 13 56.40109171 1.422189308 . . . . . . . 197 GLU CA . 51096 1
687 . 1 . 1 63 63 GLU CB C 13 31.74985109 1.413665291 . . . . . . . 197 GLU CB . 51096 1
688 . 1 . 1 63 63 GLU CG C 13 37.54445073 1.420009134 . . . . . . . 197 GLU CG . 51096 1
689 . 1 . 1 63 63 GLU N N 15 119.413786 0.009679977058 . . . . . . . 197 GLU N . 51096 1
690 . 1 . 1 64 64 THR H H 1 7.416093769 0.008988791667 . . . . . . . 198 THR H . 51096 1
691 . 1 . 1 64 64 THR HA H 1 4.102353891 0.0162399623 . . . . . . . 198 THR HA . 51096 1
692 . 1 . 1 64 64 THR HB H 1 4.159610427 0.02880916786 . . . . . . . 198 THR HB . 51096 1
693 . 1 . 1 64 64 THR HG21 H 1 1.262860846 0.006328425138 . . . . . . . 198 THR HG2# . 51096 1
694 . 1 . 1 64 64 THR HG22 H 1 1.262860846 0.006328425138 . . . . . . . 198 THR HG2# . 51096 1
695 . 1 . 1 64 64 THR HG23 H 1 1.262860846 0.006328425138 . . . . . . . 198 THR HG2# . 51096 1
696 . 1 . 1 64 64 THR C C 13 175.3026773 0.02601103801 . . . . . . . 198 THR C . 51096 1
697 . 1 . 1 64 64 THR CA C 13 62.84270978 1.308461724 . . . . . . . 198 THR CA . 51096 1
698 . 1 . 1 64 64 THR CB C 13 68.87296269 1.406299944 . . . . . . . 198 THR CB . 51096 1
699 . 1 . 1 64 64 THR N N 15 118.5376399 0.0391053513 . . . . . . . 198 THR N . 51096 1
700 . 1 . 1 65 65 ALA H H 1 8.539911259 0.01057070303 . . . . . . . 199 ALA H . 51096 1
701 . 1 . 1 65 65 ALA HA H 1 3.911323169 0.008879093591 . . . . . . . 199 ALA HA . 51096 1
702 . 1 . 1 65 65 ALA HB1 H 1 1.347264246 0.01079779659 . . . . . . . 199 ALA HB# . 51096 1
703 . 1 . 1 65 65 ALA HB2 H 1 1.347264246 0.01079779659 . . . . . . . 199 ALA HB# . 51096 1
704 . 1 . 1 65 65 ALA HB3 H 1 1.347264246 0.01079779659 . . . . . . . 199 ALA HB# . 51096 1
705 . 1 . 1 65 65 ALA C C 13 180.2588425 0.02091949487 . . . . . . . 199 ALA C . 51096 1
706 . 1 . 1 65 65 ALA CA C 13 57.35970456 1.419890532 . . . . . . . 199 ALA CA . 51096 1
707 . 1 . 1 65 65 ALA CB C 13 20.06052447 1.382199271 . . . . . . . 199 ALA CB . 51096 1
708 . 1 . 1 65 65 ALA N N 15 133.6071427 0.009613513367 . . . . . . . 199 ALA N . 51096 1
709 . 1 . 1 66 66 GLU H H 1 9.478752938 0.009554632892 . . . . . . . 200 GLU H . 51096 1
710 . 1 . 1 66 66 GLU HA H 1 4.080361852 0.0204548162 . . . . . . . 200 GLU HA . 51096 1
711 . 1 . 1 66 66 GLU HB2 H 1 2.184248854 0.03197504086 . . . . . . . 200 GLU HB2 . 51096 1
712 . 1 . 1 66 66 GLU HB3 H 1 2.18523311 0.03177615742 . . . . . . . 200 GLU HB3 . 51096 1
713 . 1 . 1 66 66 GLU HG2 H 1 2.321934284 0.01125533732 . . . . . . . 200 GLU HG2 . 51096 1
714 . 1 . 1 66 66 GLU HG3 H 1 2.32215889 0.01138145611 . . . . . . . 200 GLU HG3 . 51096 1
715 . 1 . 1 66 66 GLU C C 13 176.5937728 0.03225310324 . . . . . . . 200 GLU C . 51096 1
716 . 1 . 1 66 66 GLU CA C 13 59.95573135 1.417290824 . . . . . . . 200 GLU CA . 51096 1
717 . 1 . 1 66 66 GLU CB C 13 31.11104353 1.41372932 . . . . . . . 200 GLU CB . 51096 1
718 . 1 . 1 66 66 GLU CG C 13 39.36907206 1.351232736 . . . . . . . 200 GLU CG . 51096 1
719 . 1 . 1 66 66 GLU N N 15 115.6761793 0.03264087076 . . . . . . . 200 GLU N . 51096 1
720 . 1 . 1 67 67 LEU H H 1 7.10656791 0.01108998595 . . . . . . . 201 LEU H . 51096 1
721 . 1 . 1 67 67 LEU HA H 1 4.187502947 0.01578749165 . . . . . . . 201 LEU HA . 51096 1
722 . 1 . 1 67 67 LEU HB2 H 1 0.9029352397 0.0186969522 . . . . . . . 201 LEU HB2 . 51096 1
723 . 1 . 1 67 67 LEU HB3 H 1 1.169720537 0.01168239624 . . . . . . . 201 LEU HB3 . 51096 1
724 . 1 . 1 67 67 LEU HG H 1 0.6459357733 0.02727199489 . . . . . . . 201 LEU HG . 51096 1
725 . 1 . 1 67 67 LEU HD21 H 1 -0.1825287705 0.03015246753 . . . . . . . 201 LEU HD2# . 51096 1
726 . 1 . 1 67 67 LEU HD22 H 1 -0.1825287705 0.03015246753 . . . . . . . 201 LEU HD2# . 51096 1
727 . 1 . 1 67 67 LEU HD23 H 1 -0.1825287705 0.03015246753 . . . . . . . 201 LEU HD2# . 51096 1
728 . 1 . 1 67 67 LEU C C 13 176.7453351 0.06560181978 . . . . . . . 201 LEU C . 51096 1
729 . 1 . 1 67 67 LEU CA C 13 55.49171184 1.414110768 . . . . . . . 201 LEU CA . 51096 1
730 . 1 . 1 67 67 LEU CB C 13 44.37723608 1.414457258 . . . . . . . 201 LEU CB . 51096 1
731 . 1 . 1 67 67 LEU CG C 13 27.93018102 0.9137881567 . . . . . . . 201 LEU CG . 51096 1
732 . 1 . 1 67 67 LEU CD1 C 13 24.10444209 1.415259306 . . . . . . . 201 LEU CD1 . 51096 1
733 . 1 . 1 67 67 LEU CD2 C 13 24.87847866 1.042797323 . . . . . . . 201 LEU CD2 . 51096 1
734 . 1 . 1 67 67 LEU N N 15 116.3849803 0.02987523433 . . . . . . . 201 LEU N . 51096 1
735 . 1 . 1 68 68 ALA H H 1 7.616002799 0.009183945226 . . . . . . . 202 ALA H . 51096 1
736 . 1 . 1 68 68 ALA HA H 1 3.602246899 0.009708278306 . . . . . . . 202 ALA HA . 51096 1
737 . 1 . 1 68 68 ALA HB1 H 1 1.244429068 0.007732614058 . . . . . . . 202 ALA HB# . 51096 1
738 . 1 . 1 68 68 ALA HB2 H 1 1.244429068 0.007732614058 . . . . . . . 202 ALA HB# . 51096 1
739 . 1 . 1 68 68 ALA HB3 H 1 1.244429068 0.007732614058 . . . . . . . 202 ALA HB# . 51096 1
740 . 1 . 1 68 68 ALA C C 13 179.3076589 0.02926023006 . . . . . . . 202 ALA C . 51096 1
741 . 1 . 1 68 68 ALA CA C 13 57.29551074 1.39130487 . . . . . . . 202 ALA CA . 51096 1
742 . 1 . 1 68 68 ALA CB C 13 19.75696612 1.423855372 . . . . . . . 202 ALA CB . 51096 1
743 . 1 . 1 68 68 ALA N N 15 122.5820742 0.02861751769 . . . . . . . 202 ALA N . 51096 1
744 . 1 . 1 69 69 SER H H 1 7.958592869 0.0103634762 . . . . . . . 203 SER H . 51096 1
745 . 1 . 1 69 69 SER HA H 1 4.024000452 0.006716851615 . . . . . . . 203 SER HA . 51096 1
746 . 1 . 1 69 69 SER HB2 H 1 3.738347982 0.01283881688 . . . . . . . 203 SER HB2 . 51096 1
747 . 1 . 1 69 69 SER HB3 H 1 3.738347982 0.01283881688 . . . . . . . 203 SER HB3 . 51096 1
748 . 1 . 1 69 69 SER C C 13 174.9752197 0.02800122006 . . . . . . . 203 SER C . 51096 1
749 . 1 . 1 69 69 SER CA C 13 61.72669875 1.394261852 . . . . . . . 203 SER CA . 51096 1
750 . 1 . 1 69 69 SER CB C 13 64.36974124 1.418479386 . . . . . . . 203 SER CB . 51096 1
751 . 1 . 1 69 69 SER N N 15 108.4955653 0.002440669276 . . . . . . . 203 SER N . 51096 1
752 . 1 . 1 70 70 VAL H H 1 7.151552496 0.007270283904 . . . . . . . 204 VAL H . 51096 1
753 . 1 . 1 70 70 VAL HA H 1 3.964556451 0.01000777049 . . . . . . . 204 VAL HA . 51096 1
754 . 1 . 1 70 70 VAL HB H 1 1.897817151 0.01195604392 . . . . . . . 204 VAL HB . 51096 1
755 . 1 . 1 70 70 VAL HG11 H 1 0.5996437647 0.01325199358 . . . . . . . 204 VAL HG1# . 51096 1
756 . 1 . 1 70 70 VAL HG12 H 1 0.5996437647 0.01325199358 . . . . . . . 204 VAL HG1# . 51096 1
757 . 1 . 1 70 70 VAL HG13 H 1 0.5996437647 0.01325199358 . . . . . . . 204 VAL HG1# . 51096 1
758 . 1 . 1 70 70 VAL HG21 H 1 0.6000707797 0.01302779329 . . . . . . . 204 VAL HG2# . 51096 1
759 . 1 . 1 70 70 VAL HG22 H 1 0.6000707797 0.01302779329 . . . . . . . 204 VAL HG2# . 51096 1
760 . 1 . 1 70 70 VAL HG23 H 1 0.6000707797 0.01302779329 . . . . . . . 204 VAL HG2# . 51096 1
761 . 1 . 1 70 70 VAL C C 13 174.8847671 0.1240633349 . . . . . . . 204 VAL C . 51096 1
762 . 1 . 1 70 70 VAL CA C 13 63.63505501 1.396641998 . . . . . . . 204 VAL CA . 51096 1
763 . 1 . 1 70 70 VAL CB C 13 33.6713506 1.421284348 . . . . . . . 204 VAL CB . 51096 1
764 . 1 . 1 70 70 VAL CG1 C 13 22.31774825 1.389735958 . . . . . . . 204 VAL CG1 . 51096 1
765 . 1 . 1 70 70 VAL N N 15 116.7942233 0.02322462764 . . . . . . . 204 VAL N . 51096 1
766 . 1 . 1 71 71 LEU H H 1 6.702307508 0.008666803128 . . . . . . . 205 LEU H . 51096 1
767 . 1 . 1 71 71 LEU HA H 1 3.444440407 0.01047855283 . . . . . . . 205 LEU HA . 51096 1
768 . 1 . 1 71 71 LEU HB2 H 1 0.6888507972 0.01421031584 . . . . . . . 205 LEU HB2 . 51096 1
769 . 1 . 1 71 71 LEU HB3 H 1 0.6888507972 0.01421031584 . . . . . . . 205 LEU HB3 . 51096 1
770 . 1 . 1 71 71 LEU HG H 1 1.111601846 0.02767336298 . . . . . . . 205 LEU HG . 51096 1
771 . 1 . 1 71 71 LEU HD11 H 1 -0.1482658595 0.02284330117 . . . . . . . 205 LEU HD1# . 51096 1
772 . 1 . 1 71 71 LEU HD12 H 1 -0.1482658595 0.02284330117 . . . . . . . 205 LEU HD1# . 51096 1
773 . 1 . 1 71 71 LEU HD13 H 1 -0.1482658595 0.02284330117 . . . . . . . 205 LEU HD1# . 51096 1
774 . 1 . 1 71 71 LEU HD21 H 1 -0.1481564382 0.02307807427 . . . . . . . 205 LEU HD2# . 51096 1
775 . 1 . 1 71 71 LEU HD22 H 1 -0.1481564382 0.02307807427 . . . . . . . 205 LEU HD2# . 51096 1
776 . 1 . 1 71 71 LEU HD23 H 1 -0.1481564382 0.02307807427 . . . . . . . 205 LEU HD2# . 51096 1
777 . 1 . 1 71 71 LEU C C 13 175.3675302 0.0170753557 . . . . . . . 205 LEU C . 51096 1
778 . 1 . 1 71 71 LEU CA C 13 54.78100475 1.406142127 . . . . . . . 205 LEU CA . 51096 1
779 . 1 . 1 71 71 LEU CB C 13 40.06234255 1.424631118 . . . . . . . 205 LEU CB . 51096 1
780 . 1 . 1 71 71 LEU CG C 13 26.9074857 1.420092911 . . . . . . . 205 LEU CG . 51096 1
781 . 1 . 1 71 71 LEU CD1 C 13 23.7427288 1.019938447 . . . . . . . 205 LEU CD1 . 51096 1
782 . 1 . 1 71 71 LEU N N 15 120.2374246 0.04793192214 . . . . . . . 205 LEU N . 51096 1
783 . 1 . 1 72 72 ALA H H 1 7.986900613 0.006483327336 . . . . . . . 206 ALA H . 51096 1
784 . 1 . 1 72 72 ALA HA H 1 4.364609066 0.0118532494 . . . . . . . 206 ALA HA . 51096 1
785 . 1 . 1 72 72 ALA HB1 H 1 1.303999889 0.008085814245 . . . . . . . 206 ALA HB# . 51096 1
786 . 1 . 1 72 72 ALA HB2 H 1 1.303999889 0.008085814245 . . . . . . . 206 ALA HB# . 51096 1
787 . 1 . 1 72 72 ALA HB3 H 1 1.303999889 0.008085814245 . . . . . . . 206 ALA HB# . 51096 1
788 . 1 . 1 72 72 ALA C C 13 178.3252197 0 . . . . . . . 206 ALA C . 51096 1
789 . 1 . 1 72 72 ALA CA C 13 52.52959174 1.386374195 . . . . . . . 206 ALA CA . 51096 1
790 . 1 . 1 72 72 ALA CB C 13 19.75761593 1.34278975 . . . . . . . 206 ALA CB . 51096 1
791 . 1 . 1 72 72 ALA N N 15 126.1523831 0.04799999581 . . . . . . . 206 ALA N . 51096 1
792 . 1 . 1 73 73 PRO HA H 1 4.470800067 0.02152573558 . . . . . . . 207 PRO HA . 51096 1
793 . 1 . 1 73 73 PRO HB2 H 1 1.982312052 0.008741268415 . . . . . . . 207 PRO HB2 . 51096 1
794 . 1 . 1 73 73 PRO HB3 H 1 2.220118921 0.003325567366 . . . . . . . 207 PRO HB3 . 51096 1
795 . 1 . 1 73 73 PRO C C 13 176.7181775 0.01990562629 . . . . . . . 207 PRO C . 51096 1
796 . 1 . 1 73 73 PRO CA C 13 64.55211695 1.385633708 . . . . . . . 207 PRO CA . 51096 1
797 . 1 . 1 73 73 PRO CB C 13 34.17621861 1.079987774 . . . . . . . 207 PRO CB . 51096 1
798 . 1 . 1 74 74 ARG H H 1 8.580528143 0.02485407035 . . . . . . . 208 ARG H . 51096 1
799 . 1 . 1 74 74 ARG HA H 1 4.36974672 0.007125369572 . . . . . . . 208 ARG HA . 51096 1
800 . 1 . 1 74 74 ARG HB2 H 1 1.859767025 0.004440362194 . . . . . . . 208 ARG HB2 . 51096 1
801 . 1 . 1 74 74 ARG HB3 H 1 1.859767025 0.004440362194 . . . . . . . 208 ARG HB3 . 51096 1
802 . 1 . 1 74 74 ARG HG2 H 1 2.203653408 0.002922656239 . . . . . . . 208 ARG HG2 . 51096 1
803 . 1 . 1 74 74 ARG HG3 H 1 2.203653408 0.002922656239 . . . . . . . 208 ARG HG3 . 51096 1
804 . 1 . 1 74 74 ARG HE H 1 6.748243942 0.004618796233 . . . . . . . 208 ARG HE . 51096 1
805 . 1 . 1 74 74 ARG C C 13 174.2025391 0 . . . . . . . 208 ARG C . 51096 1
806 . 1 . 1 74 74 ARG CA C 13 55.11766171 1.399985977 . . . . . . . 208 ARG CA . 51096 1
807 . 1 . 1 74 74 ARG CB C 13 29.81397563 0 . . . . . . . 208 ARG CB . 51096 1
808 . 1 . 1 74 74 ARG CG C 13 26.72782318 0 . . . . . . . 208 ARG CG . 51096 1
809 . 1 . 1 74 74 ARG CD C 13 43.15482088 0 . . . . . . . 208 ARG CD . 51096 1
810 . 1 . 1 74 74 ARG N N 15 123.1826993 0.02577470329 . . . . . . . 208 ARG N . 51096 1
811 . 1 . 1 74 74 ARG NE N 15 115.0393597 0.02819081043 . . . . . . . 208 ARG NE . 51096 1
812 . 1 . 1 75 75 PRO HA H 1 4.017422822 0.01395443718 . . . . . . . 209 PRO HA . 51096 1
813 . 1 . 1 75 75 PRO HB2 H 1 1.970201071 0.004531620234 . . . . . . . 209 PRO HB2 . 51096 1
814 . 1 . 1 75 75 PRO HB3 H 1 1.970201071 0.004531620234 . . . . . . . 209 PRO HB3 . 51096 1
815 . 1 . 1 75 75 PRO C C 13 176.0981815 0.0199056262 . . . . . . . 209 PRO C . 51096 1
816 . 1 . 1 75 75 PRO CA C 13 63.11531492 1.308044594 . . . . . . . 209 PRO CA . 51096 1
817 . 1 . 1 75 75 PRO CB C 13 33.39066321 1.14162448 . . . . . . . 209 PRO CB . 51096 1
818 . 1 . 1 75 75 PRO CG C 13 20.73676932 0.004630466099 . . . . . . . 209 PRO CG . 51096 1
819 . 1 . 1 76 76 SER H H 1 8.326675945 0.01318651403 . . . . . . . 210 SER H . 51096 1
820 . 1 . 1 76 76 SER HA H 1 4.335055468 0.02894899593 . . . . . . . 210 SER HA . 51096 1
821 . 1 . 1 76 76 SER HB2 H 1 3.723363492 0.01404026723 . . . . . . . 210 SER HB2 . 51096 1
822 . 1 . 1 76 76 SER HB3 H 1 3.723363492 0.01404026723 . . . . . . . 210 SER HB3 . 51096 1
823 . 1 . 1 76 76 SER C C 13 173.766126 0.1054980688 . . . . . . . 210 SER C . 51096 1
824 . 1 . 1 76 76 SER CA C 13 58.18768124 0.03124108115 . . . . . . . 210 SER CA . 51096 1
825 . 1 . 1 76 76 SER CB C 13 64.63904975 1.182709419 . . . . . . . 210 SER CB . 51096 1
826 . 1 . 1 76 76 SER N N 15 119.9314486 0.01663217938 . . . . . . . 210 SER N . 51096 1
827 . 1 . 1 77 77 LYS H H 1 8.204252611 0.01320054841 . . . . . . . 211 LYS H . 51096 1
828 . 1 . 1 77 77 LYS HA H 1 4.483998252 0.009452334199 . . . . . . . 211 LYS HA . 51096 1
829 . 1 . 1 77 77 LYS HB2 H 1 1.681381724 0.007520331262 . . . . . . . 211 LYS HB2 . 51096 1
830 . 1 . 1 77 77 LYS HB3 H 1 1.681381724 0.007520331262 . . . . . . . 211 LYS HB3 . 51096 1
831 . 1 . 1 77 77 LYS HG2 H 1 1.356989082 0.001960037976 . . . . . . . 211 LYS HG2 . 51096 1
832 . 1 . 1 77 77 LYS HG3 H 1 1.357002783 0.001911341882 . . . . . . . 211 LYS HG3 . 51096 1
833 . 1 . 1 77 77 LYS HD2 H 1 1.559303216 0.004225849498 . . . . . . . 211 LYS HD2 . 51096 1
834 . 1 . 1 77 77 LYS HD3 H 1 1.559303216 0.004225849498 . . . . . . . 211 LYS HD3 . 51096 1
835 . 1 . 1 77 77 LYS HE2 H 1 2.885312677 0.01401260684 . . . . . . . 211 LYS HE2 . 51096 1
836 . 1 . 1 77 77 LYS HE3 H 1 2.885312677 0.01401260684 . . . . . . . 211 LYS HE3 . 51096 1
837 . 1 . 1 77 77 LYS CA C 13 55.8694617 1.382092127 . . . . . . . 211 LYS CA . 51096 1
838 . 1 . 1 77 77 LYS CB C 13 33.72101295 1.393968318 . . . . . . . 211 LYS CB . 51096 1
839 . 1 . 1 77 77 LYS CG C 13 25.97582235 1.431593049 . . . . . . . 211 LYS CG . 51096 1
840 . 1 . 1 77 77 LYS CD C 13 30.76455775 1.423262032 . . . . . . . 211 LYS CD . 51096 1
841 . 1 . 1 77 77 LYS CE C 13 43.66692244 1.428962557 . . . . . . . 211 LYS CE . 51096 1
842 . 1 . 1 77 77 LYS N N 15 124.0102996 0.02085084074 . . . . . . . 211 LYS N . 51096 1
843 . 1 . 1 78 78 PRO HA H 1 4.294892979 0.01216838224 . . . . . . . 212 PRO HA . 51096 1
844 . 1 . 1 78 78 PRO HB2 H 1 2.128246668 0.01434260389 . . . . . . . 212 PRO HB2 . 51096 1
845 . 1 . 1 78 78 PRO HB3 H 1 2.128246668 0.01434260389 . . . . . . . 212 PRO HB3 . 51096 1
846 . 1 . 1 78 78 PRO HG2 H 1 1.765891587 0.001948074233 . . . . . . . 212 PRO HG2 . 51096 1
847 . 1 . 1 78 78 PRO HG3 H 1 1.765891587 0.001948074233 . . . . . . . 212 PRO HG3 . 51096 1
848 . 1 . 1 78 78 PRO HD2 H 1 3.671826737 0.02417454852 . . . . . . . 212 PRO HD2 . 51096 1
849 . 1 . 1 78 78 PRO HD3 H 1 3.671826737 0.02417454852 . . . . . . . 212 PRO HD3 . 51096 1
850 . 1 . 1 78 78 PRO C C 13 176.3745215 0.01990562638 . . . . . . . 212 PRO C . 51096 1
851 . 1 . 1 78 78 PRO CA C 13 64.54057483 1.414821051 . . . . . . . 212 PRO CA . 51096 1
852 . 1 . 1 78 78 PRO CB C 13 33.2696161 1.420179566 . . . . . . . 212 PRO CB . 51096 1
853 . 1 . 1 78 78 PRO CG C 13 29.13438571 1.348299006 . . . . . . . 212 PRO CG . 51096 1
854 . 1 . 1 78 78 PRO CD C 13 52.28907311 1.397392215 . . . . . . . 212 PRO CD . 51096 1
855 . 1 . 1 79 79 VAL H H 1 8.200691666 0.0066016529 . . . . . . . 213 VAL H . 51096 1
856 . 1 . 1 79 79 VAL HA H 1 3.906890953 0.006915378518 . . . . . . . 213 VAL HA . 51096 1
857 . 1 . 1 79 79 VAL HB H 1 1.871264703 0.009906995947 . . . . . . . 213 VAL HB . 51096 1
858 . 1 . 1 79 79 VAL HG11 H 1 0.8220162712 0.009789410943 . . . . . . . 213 VAL HG1# . 51096 1
859 . 1 . 1 79 79 VAL HG12 H 1 0.8220162712 0.009789410943 . . . . . . . 213 VAL HG1# . 51096 1
860 . 1 . 1 79 79 VAL HG13 H 1 0.8220162712 0.009789410943 . . . . . . . 213 VAL HG1# . 51096 1
861 . 1 . 1 79 79 VAL HG21 H 1 0.8220162712 0.009789410943 . . . . . . . 213 VAL HG2# . 51096 1
862 . 1 . 1 79 79 VAL HG22 H 1 0.8220162712 0.009789410943 . . . . . . . 213 VAL HG2# . 51096 1
863 . 1 . 1 79 79 VAL HG23 H 1 0.8220162712 0.009789410943 . . . . . . . 213 VAL HG2# . 51096 1
864 . 1 . 1 79 79 VAL C C 13 175.6838373 0.06952344706 . . . . . . . 213 VAL C . 51096 1
865 . 1 . 1 79 79 VAL CA C 13 63.67654157 1.417040366 . . . . . . . 213 VAL CA . 51096 1
866 . 1 . 1 79 79 VAL CB C 13 33.86741306 1.421375656 . . . . . . . 213 VAL CB . 51096 1
867 . 1 . 1 79 79 VAL CG1 C 13 22.08655165 1.424593953 . . . . . . . 213 VAL CG1 . 51096 1
868 . 1 . 1 79 79 VAL CG2 C 13 22.08655165 1.424593953 . . . . . . . 213 VAL CG2 . 51096 1
869 . 1 . 1 79 79 VAL N N 15 121.492186 0.0001513971118 . . . . . . . 213 VAL N . 51096 1
870 . 1 . 1 80 80 ILE H H 1 8.178102174 0.01253841884 . . . . . . . 214 ILE H . 51096 1
871 . 1 . 1 80 80 ILE HA H 1 4.068574456 0.01161391883 . . . . . . . 214 ILE HA . 51096 1
872 . 1 . 1 80 80 ILE HB H 1 1.683191865 0.007599140797 . . . . . . . 214 ILE HB . 51096 1
873 . 1 . 1 80 80 ILE HG12 H 1 1.047849775 0.01005761081 . . . . . . . 214 ILE HG12 . 51096 1
874 . 1 . 1 80 80 ILE HG13 H 1 1.329307435 0.01213395701 . . . . . . . 214 ILE HG13 . 51096 1
875 . 1 . 1 80 80 ILE HG21 H 1 0.7234890448 0.01433526417 . . . . . . . 214 ILE HG2# . 51096 1
876 . 1 . 1 80 80 ILE HG22 H 1 0.7234890448 0.01433526417 . . . . . . . 214 ILE HG2# . 51096 1
877 . 1 . 1 80 80 ILE HG23 H 1 0.7234890448 0.01433526417 . . . . . . . 214 ILE HG2# . 51096 1
878 . 1 . 1 80 80 ILE HD11 H 1 0.6865070694 0.01061698945 . . . . . . . 214 ILE HD1# . 51096 1
879 . 1 . 1 80 80 ILE HD12 H 1 0.6865070694 0.01061698945 . . . . . . . 214 ILE HD1# . 51096 1
880 . 1 . 1 80 80 ILE HD13 H 1 0.6865070694 0.01061698945 . . . . . . . 214 ILE HD1# . 51096 1
881 . 1 . 1 80 80 ILE C C 13 178.0126162 0.05105144813 . . . . . . . 214 ILE C . 51096 1
882 . 1 . 1 80 80 ILE CA C 13 61.40749126 1.325890778 . . . . . . . 214 ILE CA . 51096 1
883 . 1 . 1 80 80 ILE CB C 13 39.4746422 1.326792688 . . . . . . . 214 ILE CB . 51096 1
884 . 1 . 1 80 80 ILE CG1 C 13 27.99993866 1.228848105 . . . . . . . 214 ILE CG1 . 51096 1
885 . 1 . 1 80 80 ILE CG2 C 13 18.00797799 1.265338504 . . . . . . . 214 ILE CG2 . 51096 1
886 . 1 . 1 80 80 ILE CD1 C 13 13.61604872 1.394482072 . . . . . . . 214 ILE CD1 . 51096 1
887 . 1 . 1 80 80 ILE N N 15 126.2281464 0.02989464834 . . . . . . . 214 ILE N . 51096 1
888 . 1 . 1 81 81 VAL H H 1 8.222661177 0.007569948615 . . . . . . . 215 VAL H . 51096 1
889 . 1 . 1 81 81 VAL HA H 1 3.962814946 0.006366330034 . . . . . . . 215 VAL HA . 51096 1
890 . 1 . 1 81 81 VAL HB H 1 1.88512384 0.006237796706 . . . . . . . 215 VAL HB . 51096 1
891 . 1 . 1 81 81 VAL HG11 H 1 0.773624306 0.03637508605 . . . . . . . 215 VAL HG1# . 51096 1
892 . 1 . 1 81 81 VAL HG12 H 1 0.773624306 0.03637508605 . . . . . . . 215 VAL HG1# . 51096 1
893 . 1 . 1 81 81 VAL HG13 H 1 0.773624306 0.03637508605 . . . . . . . 215 VAL HG1# . 51096 1
894 . 1 . 1 81 81 VAL HG21 H 1 0.7990711267 0.009306148223 . . . . . . . 215 VAL HG2# . 51096 1
895 . 1 . 1 81 81 VAL HG22 H 1 0.7990711267 0.009306148223 . . . . . . . 215 VAL HG2# . 51096 1
896 . 1 . 1 81 81 VAL HG23 H 1 0.7990711267 0.009306148223 . . . . . . . 215 VAL HG2# . 51096 1
897 . 1 . 1 81 81 VAL C C 13 174.9319661 0.02234362561 . . . . . . . 215 VAL C . 51096 1
898 . 1 . 1 81 81 VAL CA C 13 63.37438658 1.406913718 . . . . . . . 215 VAL CA . 51096 1
899 . 1 . 1 81 81 VAL CB C 13 34.11387473 1.419481878 . . . . . . . 215 VAL CB . 51096 1
900 . 1 . 1 81 81 VAL CG1 C 13 22.44927093 1.415814708 . . . . . . . 215 VAL CG1 . 51096 1
901 . 1 . 1 81 81 VAL N N 15 126.3495483 0.01398558179 . . . . . . . 215 VAL N . 51096 1
902 . 1 . 1 82 82 ALA H H 1 8.325310231 0.007177123531 . . . . . . . 216 ALA H . 51096 1
903 . 1 . 1 82 82 ALA HA H 1 4.462499657 0.005776483303 . . . . . . . 216 ALA HA . 51096 1
904 . 1 . 1 82 82 ALA HB1 H 1 1.226410857 0.00867690623 . . . . . . . 216 ALA HB# . 51096 1
905 . 1 . 1 82 82 ALA HB2 H 1 1.226410857 0.00867690623 . . . . . . . 216 ALA HB# . 51096 1
906 . 1 . 1 82 82 ALA HB3 H 1 1.226410857 0.00867690623 . . . . . . . 216 ALA HB# . 51096 1
907 . 1 . 1 82 82 ALA C C 13 178.6112621 0 . . . . . . . 216 ALA C . 51096 1
908 . 1 . 1 82 82 ALA CA C 13 51.32155921 1.380871789 . . . . . . . 216 ALA CA . 51096 1
909 . 1 . 1 82 82 ALA CB C 13 19.37808027 1.384009288 . . . . . . . 216 ALA CB . 51096 1
910 . 1 . 1 82 82 ALA N N 15 130.0308605 0.01408392469 . . . . . . . 216 ALA N . 51096 1
911 . 1 . 1 83 83 PRO HA H 1 4.25933202 0.005240385409 . . . . . . . 217 PRO HA . 51096 1
912 . 1 . 1 83 83 PRO HB2 H 1 1.776499701 0.00495389859 . . . . . . . 217 PRO HB2 . 51096 1
913 . 1 . 1 83 83 PRO HB3 H 1 1.776499701 0.00495389859 . . . . . . . 217 PRO HB3 . 51096 1
914 . 1 . 1 83 83 PRO C C 13 177.6076998 0.1017904471 . . . . . . . 217 PRO C . 51096 1
915 . 1 . 1 83 83 PRO CA C 13 63.85168958 1.31992606 . . . . . . . 217 PRO CA . 51096 1
916 . 1 . 1 83 83 PRO CB C 13 33.15152152 1.400070283 . . . . . . . 217 PRO CB . 51096 1
917 . 1 . 1 84 84 GLU H H 1 7.842631384 0.008349496362 . . . . . . . 218 GLU H . 51096 1
918 . 1 . 1 84 84 GLU HA H 1 4.294115571 0.005873877209 . . . . . . . 218 GLU HA . 51096 1
919 . 1 . 1 84 84 GLU HB2 H 1 1.732898684 0.006723002815 . . . . . . . 218 GLU HB2 . 51096 1
920 . 1 . 1 84 84 GLU HB3 H 1 1.732898684 0.006723002815 . . . . . . . 218 GLU HB3 . 51096 1
921 . 1 . 1 84 84 GLU HG2 H 1 2.114488881 0.01164249242 . . . . . . . 218 GLU HG2 . 51096 1
922 . 1 . 1 84 84 GLU HG3 H 1 2.114488881 0.01164249242 . . . . . . . 218 GLU HG3 . 51096 1
923 . 1 . 1 84 84 GLU C C 13 175.8086024 0 . . . . . . . 218 GLU C . 51096 1
924 . 1 . 1 84 84 GLU CA C 13 53.56539753 0.0002503726574 . . . . . . . 218 GLU CA . 51096 1
925 . 1 . 1 84 84 GLU CB C 13 33.48032634 0.9260864794 . . . . . . . 218 GLU CB . 51096 1
926 . 1 . 1 84 84 GLU N N 15 119.3533354 0.01491059793 . . . . . . . 218 GLU N . 51096 1
927 . 1 . 1 85 85 PRO CA C 13 62.23800154 0.1245275942 . . . . . . . 219 PRO CA . 51096 1
928 . 1 . 1 85 85 PRO CB C 13 34.15053711 0.01098298707 . . . . . . . 219 PRO CB . 51096 1
929 . 1 . 1 86 86 VAL H H 1 8.370949042 0.008409162479 . . . . . . . 220 VAL H . 51096 1
930 . 1 . 1 86 86 VAL C C 13 176.6445406 0.04360111574 . . . . . . . 220 VAL C . 51096 1
931 . 1 . 1 86 86 VAL CA C 13 62.93928939 0.04497156467 . . . . . . . 220 VAL CA . 51096 1
932 . 1 . 1 86 86 VAL CB C 13 32.01747634 0.1904799194 . . . . . . . 220 VAL CB . 51096 1
933 . 1 . 1 86 86 VAL N N 15 121.0424173 0.0237802786 . . . . . . . 220 VAL N . 51096 1
934 . 1 . 1 87 87 SER H H 1 8.361720257 0.009267617295 . . . . . . . 221 SER H . 51096 1
935 . 1 . 1 87 87 SER HA H 1 4.314969734 0.03129833681 . . . . . . . 221 SER HA . 51096 1
936 . 1 . 1 87 87 SER HB2 H 1 3.738830148 0.009071537209 . . . . . . . 221 SER HB2 . 51096 1
937 . 1 . 1 87 87 SER HB3 H 1 3.738830148 0.009071537209 . . . . . . . 221 SER HB3 . 51096 1
938 . 1 . 1 87 87 SER C C 13 173.7128072 0.08653933985 . . . . . . . 221 SER C . 51096 1
939 . 1 . 1 87 87 SER CA C 13 58.83451987 1.168317305 . . . . . . . 221 SER CA . 51096 1
940 . 1 . 1 87 87 SER CB C 13 64.07051697 0.05535674035 . . . . . . . 221 SER CB . 51096 1
941 . 1 . 1 87 87 SER N N 15 116.8464287 0.01860086589 . . . . . . . 221 SER N . 51096 1
942 . 1 . 1 88 88 GLY H H 1 7.921292711 0.007264623874 . . . . . . . 222 GLY H . 51096 1
943 . 1 . 1 88 88 GLY HA2 H 1 3.642040619 0.01820870494 . . . . . . . 222 GLY HA2 . 51096 1
944 . 1 . 1 88 88 GLY HA3 H 1 3.642040619 0.01820870494 . . . . . . . 222 GLY HA3 . 51096 1
945 . 1 . 1 88 88 GLY C C 13 178.65376 0 . . . . . . . 222 GLY C . 51096 1
946 . 1 . 1 88 88 GLY CA C 13 46.02735412 0.0002503726574 . . . . . . . 222 GLY CA . 51096 1
947 . 1 . 1 88 88 GLY N N 15 117.249233 0.01403139625 . . . . . . . 222 GLY N . 51096 1
stop_
save_