Content for NMR-STAR saveframe, "assigned_chem_shift_list"
save_assigned_chem_shift_list
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list
_Assigned_chem_shift_list.Entry_ID 18841
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $PaaA2_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '2D 1H-15N HSQC/HMQC' 1 $PaaA2 isotropic 18841 1
1 '2D 1H-15N HSQC/HMQC' 1 $PaaA2 isotropic 18841 1
2 '3D HNCO' 1 $PaaA2 isotropic 18841 1
4 '2D 1H-13C HSQC/HMQC' 1 $PaaA2 isotropic 18841 1
4 '2D 1H-13C HSQC/HMQC' 1 $PaaA2 isotropic 18841 1
6 '3D HNCACB' 1 $PaaA2 isotropic 18841 1
7 'cbcaconh (H[N[co[{CA|ca[C]}]]])' 1 $PaaA2 isotropic 18841 1
8 'cconh (H[N[co[{CA|ca[C]}]]])' 1 $PaaA2 isotropic 18841 1
9 'hbhaconh (H[N[ca[HA]]])' 1 $PaaA2 isotropic 18841 1
10 'hbcbcgcdhd (hbCBcgcdceHE)' 1 $PaaA2 isotropic 18841 1
11 'hbcbcgcdcehe (hbCBcgcdceHE)' 1 $PaaA2 isotropic 18841 1
12 '2D 1H-1H NOESY' 1 $PaaA2 isotropic 18841 1
13 '3D 1H-15N NOESY' 1 $PaaA2 isotropic 18841 1
14 '3D 1H-13C NOESY' 1 $PaaA2 isotropic 18841 1
15 '3D HCCH-TOCSY' 1 $PaaA2 isotropic 18841 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 1 1 1 MET HA H 1 4.015 0.008 . 1 . . 792 . . 1 MET HA . 18841 1
2 . 1 1 1 1 MET HB2 H 1 2.047 0.008 . 1 . . 794 . . 1 MET HB2 . 18841 1
3 . 1 1 1 1 MET HB3 H 1 2.047 0.008 . 1 . . 795 . . 1 MET HB3 . 18841 1
4 . 1 1 1 1 MET HG2 H 1 2.421 0.008 . 2 . . 790 . . 1 MET HG2 . 18841 1
5 . 1 1 1 1 MET HG3 H 1 2.506 0.008 . 2 . . 789 . . 1 MET HG3 . 18841 1
6 . 1 1 1 1 MET CA C 13 55.181 0.04 . 1 . . 791 . . 1 MET CA . 18841 1
7 . 1 1 1 1 MET CB C 13 33.353 0.04 . 1 . . 793 . . 1 MET CB . 18841 1
8 . 1 1 1 1 MET CG C 13 31.054 0.04 . 1 . . 788 . . 1 MET CG . 18841 1
9 . 1 1 2 2 ASP HA H 1 4.677 0.008 . 1 . . 264 . . 2 ASP HA . 18841 1
10 . 1 1 2 2 ASP HB2 H 1 2.538 0.008 . 2 . . 266 . . 2 ASP HB2 . 18841 1
11 . 1 1 2 2 ASP HB3 H 1 2.657 0.008 . 2 . . 265 . . 2 ASP HB3 . 18841 1
12 . 1 1 2 2 ASP C C 13 175.304 0.04 . 1 . . 270 . . 2 ASP C . 18841 1
13 . 1 1 2 2 ASP CA C 13 54.131 0.04 . 1 . . 263 . . 2 ASP CA . 18841 1
14 . 1 1 2 2 ASP CB C 13 41.628 0.04 . 1 . . 262 . . 2 ASP CB . 18841 1
15 . 1 1 3 3 TYR H H 1 8.290 0.008 . 1 . . 15 . . 3 TYR H . 18841 1
16 . 1 1 3 3 TYR HA H 1 4.541 0.008 . 1 . . 267 . . 3 TYR HA . 18841 1
17 . 1 1 3 3 TYR HB2 H 1 3.053 0.008 . 2 . . 268 . . 3 TYR HB2 . 18841 1
18 . 1 1 3 3 TYR HB3 H 1 2.931 0.008 . 2 . . 269 . . 3 TYR HB3 . 18841 1
19 . 1 1 3 3 TYR HD1 H 1 7.125 0.008 . 3 . . 538 . . 3 TYR HD1 . 18841 1
20 . 1 1 3 3 TYR HD2 H 1 7.125 0.008 . 3 . . 538 . . 3 TYR HD2 . 18841 1
21 . 1 1 3 3 TYR HE1 H 1 6.836 0.008 . 3 . . 539 . . 3 TYR HE1 . 18841 1
22 . 1 1 3 3 TYR HE2 H 1 6.836 0.008 . 3 . . 539 . . 3 TYR HE2 . 18841 1
23 . 1 1 3 3 TYR C C 13 175.606 0.04 . 1 . . 271 . . 3 TYR C . 18841 1
24 . 1 1 3 3 TYR CA C 13 58.057 0.04 . 1 . . 254 . . 3 TYR CA . 18841 1
25 . 1 1 3 3 TYR CB C 13 38.904 0.04 . 1 . . 255 . . 3 TYR CB . 18841 1
26 . 1 1 3 3 TYR CD1 C 13 133.312 0.04 . 3 . . 627 . . 3 TYR CD1 . 18841 1
27 . 1 1 3 3 TYR CD2 C 13 133.312 0.04 . 3 . . 627 . . 3 TYR CD2 . 18841 1
28 . 1 1 3 3 TYR CE1 C 13 118.307 0.04 . 3 . . 551 . . 3 TYR CE1 . 18841 1
29 . 1 1 3 3 TYR CE2 C 13 118.307 0.04 . 3 . . 551 . . 3 TYR CE2 . 18841 1
30 . 1 1 3 3 TYR N N 15 121.124 0.04 . 1 . . 16 . . 3 TYR N . 18841 1
31 . 1 1 4 4 LYS H H 1 8.315 0.008 . 1 . . 118 . . 4 LYS H . 18841 1
32 . 1 1 4 4 LYS HA H 1 4.289 0.008 . 1 . . 273 . . 4 LYS HA . 18841 1
33 . 1 1 4 4 LYS HB2 H 1 1.730 0.008 . 2 . . 275 . . 4 LYS HB2 . 18841 1
34 . 1 1 4 4 LYS HB3 H 1 1.792 0.008 . 2 . . 274 . . 4 LYS HB3 . 18841 1
35 . 1 1 4 4 LYS HG2 H 1 1.365 0.008 . 1 . . 644 . . 4 LYS HG2 . 18841 1
36 . 1 1 4 4 LYS HG3 H 1 1.365 0.008 . 1 . . 643 . . 4 LYS HG3 . 18841 1
37 . 1 1 4 4 LYS HD2 H 1 1.690 0.008 . 1 . . 646 . . 4 LYS HD2 . 18841 1
38 . 1 1 4 4 LYS HD3 H 1 1.690 0.008 . 1 . . 645 . . 4 LYS HD3 . 18841 1
39 . 1 1 4 4 LYS HE2 H 1 3.005 0.008 . 1 . . 648 . . 4 LYS HE2 . 18841 1
40 . 1 1 4 4 LYS HE3 H 1 3.005 0.008 . 1 . . 647 . . 4 LYS HE3 . 18841 1
41 . 1 1 4 4 LYS C C 13 176.038 0.04 . 1 . . 272 . . 4 LYS C . 18841 1
42 . 1 1 4 4 LYS CA C 13 56.305 0.04 . 1 . . 260 . . 4 LYS CA . 18841 1
43 . 1 1 4 4 LYS CB C 13 33.295 0.04 . 1 . . 261 . . 4 LYS CB . 18841 1
44 . 1 1 4 4 LYS CG C 13 24.621 0.04 . 1 . . 531 . . 4 LYS CG . 18841 1
45 . 1 1 4 4 LYS CD C 13 29.057 0.04 . 1 . . 532 . . 4 LYS CD . 18841 1
46 . 1 1 4 4 LYS CE C 13 42.079 0.04 . 1 . . 533 . . 4 LYS CE . 18841 1
47 . 1 1 4 4 LYS N N 15 123.211 0.04 . 1 . . 119 . . 4 LYS N . 18841 1
48 . 1 1 5 5 ASP H H 1 8.280 0.008 . 1 . . 110 . . 5 ASP H . 18841 1
49 . 1 1 5 5 ASP HA H 1 4.578 0.008 . 1 . . 277 . . 5 ASP HA . 18841 1
50 . 1 1 5 5 ASP HB2 H 1 2.651 0.008 . 2 . . 279 . . 5 ASP HB2 . 18841 1
51 . 1 1 5 5 ASP HB3 H 1 2.738 0.008 . 2 . . 278 . . 5 ASP HB3 . 18841 1
52 . 1 1 5 5 ASP C C 13 176.061 0.04 . 1 . . 276 . . 5 ASP C . 18841 1
53 . 1 1 5 5 ASP CA C 13 54.461 0.04 . 1 . . 256 . . 5 ASP CA . 18841 1
54 . 1 1 5 5 ASP CB C 13 41.399 0.04 . 1 . . 257 . . 5 ASP CB . 18841 1
55 . 1 1 5 5 ASP N N 15 121.413 0.04 . 1 . . 111 . . 5 ASP N . 18841 1
56 . 1 1 6 6 ASP H H 1 8.282 0.008 . 1 . . 78 . . 6 ASP H . 18841 1
57 . 1 1 6 6 ASP HA H 1 4.577 0.008 . 1 . . 281 . . 6 ASP HA . 18841 1
58 . 1 1 6 6 ASP HB2 H 1 2.709 0.008 . 2 . . 282 . . 6 ASP HB2 . 18841 1
59 . 1 1 6 6 ASP HB3 H 1 2.645 0.008 . 2 . . 283 . . 6 ASP HB3 . 18841 1
60 . 1 1 6 6 ASP C C 13 176.565 0.04 . 1 . . 280 . . 6 ASP C . 18841 1
61 . 1 1 6 6 ASP CA C 13 54.856 0.04 . 1 . . 258 . . 6 ASP CA . 18841 1
62 . 1 1 6 6 ASP CB C 13 41.280 0.04 . 1 . . 259 . . 6 ASP CB . 18841 1
63 . 1 1 6 6 ASP N N 15 120.415 0.04 . 1 . . 79 . . 6 ASP N . 18841 1
64 . 1 1 7 7 ASP H H 1 8.292 0.008 . 1 . . 136 . . 7 ASP H . 18841 1
65 . 1 1 7 7 ASP CA C 13 55.018 0.04 . 1 . . 490 . . 7 ASP CA . 18841 1
66 . 1 1 7 7 ASP CB C 13 41.302 0.04 . 1 . . 489 . . 7 ASP CB . 18841 1
67 . 1 1 7 7 ASP N N 15 120.713 0.04 . 1 . . 137 . . 7 ASP N . 18841 1
68 . 1 1 8 8 ASP HA H 1 4.519 0.008 . 1 . . 285 . . 8 ASP HA . 18841 1
69 . 1 1 8 8 ASP HB2 H 1 2.708 0.008 . 1 . . 286 . . 8 ASP HB2 . 18841 1
70 . 1 1 8 8 ASP HB3 H 1 2.708 0.008 . 1 . . 493 . . 8 ASP HB3 . 18841 1
71 . 1 1 8 8 ASP C C 13 177.147 0.04 . 1 . . 284 . . 8 ASP C . 18841 1
72 . 1 1 8 8 ASP CA C 13 55.084 0.04 . 1 . . 491 . . 8 ASP CA . 18841 1
73 . 1 1 8 8 ASP CB C 13 41.078 0.04 . 1 . . 492 . . 8 ASP CB . 18841 1
74 . 1 1 9 9 LYS H H 1 8.175 0.008 . 1 . . 3 . . 9 LYS H . 18841 1
75 . 1 1 9 9 LYS HA H 1 4.167 0.008 . 1 . . 288 . . 9 LYS HA . 18841 1
76 . 1 1 9 9 LYS HB2 H 1 1.818 0.008 . 1 . . 289 . . 9 LYS HB2 . 18841 1
77 . 1 1 9 9 LYS HB3 H 1 1.818 0.008 . 1 . . 494 . . 9 LYS HB3 . 18841 1
78 . 1 1 9 9 LYS HG2 H 1 1.447 0.008 . 1 . . 653 . . 9 LYS HG2 . 18841 1
79 . 1 1 9 9 LYS HG3 H 1 1.447 0.008 . 1 . . 654 . . 9 LYS HG3 . 18841 1
80 . 1 1 9 9 LYS HD2 H 1 1.671 0.008 . 1 . . 651 . . 9 LYS HD2 . 18841 1
81 . 1 1 9 9 LYS HD3 H 1 1.671 0.008 . 1 . . 652 . . 9 LYS HD3 . 18841 1
82 . 1 1 9 9 LYS HE2 H 1 3.006 0.008 . 1 . . 650 . . 9 LYS HE2 . 18841 1
83 . 1 1 9 9 LYS HE3 H 1 3.006 0.008 . 1 . . 649 . . 9 LYS HE3 . 18841 1
84 . 1 1 9 9 LYS C C 13 177.063 0.04 . 1 . . 287 . . 9 LYS C . 18841 1
85 . 1 1 9 9 LYS CA C 13 57.293 0.04 . 1 . . 250 . . 9 LYS CA . 18841 1
86 . 1 1 9 9 LYS CB C 13 32.485 0.04 . 1 . . 251 . . 9 LYS CB . 18841 1
87 . 1 1 9 9 LYS CG C 13 24.769 0.04 . 1 . . 553 . . 9 LYS CG . 18841 1
88 . 1 1 9 9 LYS CD C 13 29.032 0.04 . 1 . . 554 . . 9 LYS CD . 18841 1
89 . 1 1 9 9 LYS CE C 13 42.165 0.04 . 1 . . 552 . . 9 LYS CE . 18841 1
90 . 1 1 9 9 LYS N N 15 120.855 0.04 . 1 . . 4 . . 9 LYS N . 18841 1
91 . 1 1 10 10 ASN H H 1 8.308 0.008 . 1 . . 11 . . 10 ASN H . 18841 1
92 . 1 1 10 10 ASN HA H 1 4.682 0.008 . 1 . . 291 . . 10 ASN HA . 18841 1
93 . 1 1 10 10 ASN HB2 H 1 2.864 0.008 . 2 . . 292 . . 10 ASN HB2 . 18841 1
94 . 1 1 10 10 ASN HB3 H 1 2.776 0.008 . 2 . . 293 . . 10 ASN HB3 . 18841 1
95 . 1 1 10 10 ASN HD21 H 1 7.742 0.008 . 1 . . 58 . . 10 ASN HD21 . 18841 1
96 . 1 1 10 10 ASN HD22 H 1 6.948 0.008 . 1 . . 105 . . 10 ASN HD22 . 18841 1
97 . 1 1 10 10 ASN C C 13 175.659 0.04 . 1 . . 290 . . 10 ASN C . 18841 1
98 . 1 1 10 10 ASN CA C 13 53.694 0.04 . 1 . . 249 . . 10 ASN CA . 18841 1
99 . 1 1 10 10 ASN CB C 13 38.743 0.04 . 1 . . 248 . . 10 ASN CB . 18841 1
100 . 1 1 10 10 ASN N N 15 118.057 0.04 . 1 . . 12 . . 10 ASN N . 18841 1
101 . 1 1 10 10 ASN ND2 N 15 113.577 0.04 . 1 . . 59 . . 10 ASN ND2 . 18841 1
102 . 1 1 11 11 ARG H H 1 8.022 0.008 . 1 . . 68 . . 11 ARG H . 18841 1
103 . 1 1 11 11 ARG HA H 1 4.255 0.008 . 1 . . 295 . . 11 ARG HA . 18841 1
104 . 1 1 11 11 ARG HB2 H 1 1.797 0.008 . 2 . . 297 . . 11 ARG HB2 . 18841 1
105 . 1 1 11 11 ARG HB3 H 1 1.869 0.008 . 2 . . 296 . . 11 ARG HB3 . 18841 1
106 . 1 1 11 11 ARG HG2 H 1 1.629 0.008 . 1 . . 657 . . 11 ARG HG2 . 18841 1
107 . 1 1 11 11 ARG HG3 H 1 1.629 0.008 . 1 . . 658 . . 11 ARG HG3 . 18841 1
108 . 1 1 11 11 ARG HD2 H 1 3.196 0.008 . 1 . . 655 . . 11 ARG HD2 . 18841 1
109 . 1 1 11 11 ARG HD3 H 1 3.196 0.008 . 1 . . 656 . . 11 ARG HD3 . 18841 1
110 . 1 1 11 11 ARG C C 13 176.191 0.04 . 1 . . 294 . . 11 ARG C . 18841 1
111 . 1 1 11 11 ARG CA C 13 56.699 0.04 . 1 . . 246 . . 11 ARG CA . 18841 1
112 . 1 1 11 11 ARG CB C 13 30.654 0.04 . 1 . . 247 . . 11 ARG CB . 18841 1
113 . 1 1 11 11 ARG CG C 13 27.201 0.04 . 1 . . 556 . . 11 ARG CG . 18841 1
114 . 1 1 11 11 ARG CD C 13 43.385 0.04 . 1 . . 555 . . 11 ARG CD . 18841 1
115 . 1 1 11 11 ARG N N 15 121.166 0.04 . 1 . . 69 . . 11 ARG N . 18841 1
116 . 1 1 12 12 ALA H H 1 8.178 0.008 . 1 . . 134 . . 12 ALA H . 18841 1
117 . 1 1 12 12 ALA HA H 1 4.310 0.008 . 1 . . 300 . . 12 ALA HA . 18841 1
118 . 1 1 12 12 ALA HB1 H 1 1.400 0.008 . 1 . . 299 . . 12 ALA HB1 . 18841 1
119 . 1 1 12 12 ALA HB2 H 1 1.400 0.008 . 1 . . 299 . . 12 ALA HB2 . 18841 1
120 . 1 1 12 12 ALA HB3 H 1 1.400 0.008 . 1 . . 299 . . 12 ALA HB3 . 18841 1
121 . 1 1 12 12 ALA C C 13 177.621 0.04 . 1 . . 298 . . 12 ALA C . 18841 1
122 . 1 1 12 12 ALA CA C 13 52.631 0.04 . 1 . . 244 . . 12 ALA CA . 18841 1
123 . 1 1 12 12 ALA CB C 13 19.140 0.04 . 1 . . 245 . . 12 ALA CB . 18841 1
124 . 1 1 12 12 ALA N N 15 124.159 0.04 . 1 . . 135 . . 12 ALA N . 18841 1
125 . 1 1 13 13 LEU H H 1 8.059 0.008 . 1 . . 9 . . 13 LEU H . 18841 1
126 . 1 1 13 13 LEU HA H 1 4.361 0.008 . 1 . . 304 . . 13 LEU HA . 18841 1
127 . 1 1 13 13 LEU HB2 H 1 1.652 0.008 . 2 . . 305 . . 13 LEU HB2 . 18841 1
128 . 1 1 13 13 LEU HB3 H 1 1.596 0.008 . 2 . . 306 . . 13 LEU HB3 . 18841 1
129 . 1 1 13 13 LEU HG H 1 1.667 0.008 . 1 . . 661 . . 13 LEU HG . 18841 1
130 . 1 1 13 13 LEU HD11 H 1 0.920 0.008 . 2 . . 660 . . 13 LEU HD11 . 18841 1
131 . 1 1 13 13 LEU HD12 H 1 0.920 0.008 . 2 . . 660 . . 13 LEU HD12 . 18841 1
132 . 1 1 13 13 LEU HD13 H 1 0.920 0.008 . 2 . . 660 . . 13 LEU HD13 . 18841 1
133 . 1 1 13 13 LEU HD21 H 1 0.863 0.008 . 2 . . 659 . . 13 LEU HD21 . 18841 1
134 . 1 1 13 13 LEU HD22 H 1 0.863 0.008 . 2 . . 659 . . 13 LEU HD22 . 18841 1
135 . 1 1 13 13 LEU HD23 H 1 0.863 0.008 . 2 . . 659 . . 13 LEU HD23 . 18841 1
136 . 1 1 13 13 LEU C C 13 177.214 0.04 . 1 . . 301 . . 13 LEU C . 18841 1
137 . 1 1 13 13 LEU CA C 13 55.004 0.04 . 1 . . 242 . . 13 LEU CA . 18841 1
138 . 1 1 13 13 LEU CB C 13 42.461 0.04 . 1 . . 243 . . 13 LEU CB . 18841 1
139 . 1 1 13 13 LEU CG C 13 27.133 0.04 . 1 . . 557 . . 13 LEU CG . 18841 1
140 . 1 1 13 13 LEU CD1 C 13 25.131 0.04 . 2 . . 558 . . 13 LEU CD1 . 18841 1
141 . 1 1 13 13 LEU CD2 C 13 23.409 0.04 . 2 . . 559 . . 13 LEU CD2 . 18841 1
142 . 1 1 13 13 LEU N N 15 120.732 0.04 . 1 . . 10 . . 13 LEU N . 18841 1
143 . 1 1 14 14 SER H H 1 8.178 0.008 . 1 . . 103 . . 14 SER H . 18841 1
144 . 1 1 14 14 SER HA H 1 4.752 0.008 . 1 . . 772 . . 14 SER HA . 18841 1
145 . 1 1 14 14 SER HB2 H 1 3.869 0.008 . 1 . . 770 . . 14 SER HB2 . 18841 1
146 . 1 1 14 14 SER HB3 H 1 3.869 0.008 . 1 . . 771 . . 14 SER HB3 . 18841 1
147 . 1 1 14 14 SER CA C 13 56.372 0.04 . 1 . . 302 . . 14 SER CA . 18841 1
148 . 1 1 14 14 SER CB C 13 63.465 0.04 . 1 . . 303 . . 14 SER CB . 18841 1
149 . 1 1 14 14 SER N N 15 117.563 0.04 . 1 . . 104 . . 14 SER N . 18841 1
150 . 1 1 15 15 PRO HA H 1 4.447 0.008 . 1 . . 308 . . 15 PRO HA . 18841 1
151 . 1 1 15 15 PRO HB2 H 1 1.913 0.008 . 2 . . 310 . . 15 PRO HB2 . 18841 1
152 . 1 1 15 15 PRO HB3 H 1 2.286 0.008 . 2 . . 309 . . 15 PRO HB3 . 18841 1
153 . 1 1 15 15 PRO HG2 H 1 1.999 0.008 . 1 . . 663 . . 15 PRO HG2 . 18841 1
154 . 1 1 15 15 PRO HG3 H 1 1.999 0.008 . 1 . . 662 . . 15 PRO HG3 . 18841 1
155 . 1 1 15 15 PRO HD2 H 1 3.720 0.008 . 2 . . 783 . . 15 PRO HD2 . 18841 1
156 . 1 1 15 15 PRO HD3 H 1 3.777 0.008 . 2 . . 664 . . 15 PRO HD3 . 18841 1
157 . 1 1 15 15 PRO C C 13 176.855 0.04 . 1 . . 307 . . 15 PRO C . 18841 1
158 . 1 1 15 15 PRO CA C 13 63.373 0.04 . 1 . . 496 . . 15 PRO CA . 18841 1
159 . 1 1 15 15 PRO CB C 13 32.180 0.04 . 1 . . 495 . . 15 PRO CB . 18841 1
160 . 1 1 15 15 PRO CG C 13 27.335 0.04 . 1 . . 561 . . 15 PRO CG . 18841 1
161 . 1 1 15 15 PRO CD C 13 50.794 0.04 . 1 . . 560 . . 15 PRO CD . 18841 1
162 . 1 1 16 16 MET H H 1 8.379 0.008 . 1 . . 7 . . 16 MET H . 18841 1
163 . 1 1 16 16 MET HA H 1 4.449 0.008 . 1 . . 312 . . 16 MET HA . 18841 1
164 . 1 1 16 16 MET HB2 H 1 2.037 0.008 . 2 . . 313 . . 16 MET HB2 . 18841 1
165 . 1 1 16 16 MET HB3 H 1 2.037 0.008 . 2 . . 314 . . 16 MET HB3 . 18841 1
166 . 1 1 16 16 MET HG2 H 1 2.590 0.008 . 2 . . 665 . . 16 MET HG2 . 18841 1
167 . 1 1 16 16 MET HG3 H 1 2.529 0.008 . 2 . . 666 . . 16 MET HG3 . 18841 1
168 . 1 1 16 16 MET HE1 H 1 2.087 0.008 . 1 . . 803 . . 16 MET HE1 . 18841 1
169 . 1 1 16 16 MET HE2 H 1 2.087 0.008 . 1 . . 803 . . 16 MET HE2 . 18841 1
170 . 1 1 16 16 MET HE3 H 1 2.087 0.008 . 1 . . 803 . . 16 MET HE3 . 18841 1
171 . 1 1 16 16 MET C C 13 176.235 0.04 . 1 . . 311 . . 16 MET C . 18841 1
172 . 1 1 16 16 MET CA C 13 55.768 0.04 . 1 . . 195 . . 16 MET CA . 18841 1
173 . 1 1 16 16 MET CB C 13 32.872 0.04 . 1 . . 194 . . 16 MET CB . 18841 1
174 . 1 1 16 16 MET CG C 13 32.176 0.04 . 1 . . 618 . . 16 MET CG . 18841 1
175 . 1 1 16 16 MET CE C 13 17.103 0.04 . 1 . . 802 . . 16 MET CE . 18841 1
176 . 1 1 16 16 MET N N 15 120.243 0.04 . 1 . . 8 . . 16 MET N . 18841 1
177 . 1 1 17 17 VAL H H 1 8.051 0.008 . 1 . . 128 . . 17 VAL H . 18841 1
178 . 1 1 17 17 VAL HA H 1 4.125 0.008 . 1 . . 316 . . 17 VAL HA . 18841 1
179 . 1 1 17 17 VAL HB H 1 2.069 0.008 . 1 . . 317 . . 17 VAL HB . 18841 1
180 . 1 1 17 17 VAL HG11 H 1 0.915 0.008 . 1 . . 668 . . 17 VAL HG11 . 18841 1
181 . 1 1 17 17 VAL HG12 H 1 0.915 0.008 . 1 . . 668 . . 17 VAL HG12 . 18841 1
182 . 1 1 17 17 VAL HG13 H 1 0.915 0.008 . 1 . . 668 . . 17 VAL HG13 . 18841 1
183 . 1 1 17 17 VAL HG21 H 1 0.915 0.008 . 1 . . 667 . . 17 VAL HG21 . 18841 1
184 . 1 1 17 17 VAL HG22 H 1 0.915 0.008 . 1 . . 667 . . 17 VAL HG22 . 18841 1
185 . 1 1 17 17 VAL HG23 H 1 0.915 0.008 . 1 . . 667 . . 17 VAL HG23 . 18841 1
186 . 1 1 17 17 VAL C C 13 175.969 0.04 . 1 . . 315 . . 17 VAL C . 18841 1
187 . 1 1 17 17 VAL CA C 13 62.303 0.04 . 1 . . 193 . . 17 VAL CA . 18841 1
188 . 1 1 17 17 VAL CB C 13 32.924 0.04 . 1 . . 192 . . 17 VAL CB . 18841 1
189 . 1 1 17 17 VAL CG1 C 13 21.267 0.04 . 2 . . 562 . . 17 VAL CG1 . 18841 1
190 . 1 1 17 17 VAL CG2 C 13 20.589 0.04 . 2 . . 563 . . 17 VAL CG2 . 18841 1
191 . 1 1 17 17 VAL N N 15 121.027 0.04 . 1 . . 129 . . 17 VAL N . 18841 1
192 . 1 1 18 18 SER H H 1 8.332 0.008 . 1 . . 122 . . 18 SER H . 18841 1
193 . 1 1 18 18 SER HA H 1 4.417 0.008 . 1 . . 319 . . 18 SER HA . 18841 1
194 . 1 1 18 18 SER HB2 H 1 3.852 0.008 . 2 . . 320 . . 18 SER HB2 . 18841 1
195 . 1 1 18 18 SER HB3 H 1 3.783 0.008 . 2 . . 321 . . 18 SER HB3 . 18841 1
196 . 1 1 18 18 SER C C 13 174.466 0.04 . 1 . . 318 . . 18 SER C . 18841 1
197 . 1 1 18 18 SER CA C 13 58.306 0.04 . 1 . . 191 . . 18 SER CA . 18841 1
198 . 1 1 18 18 SER CB C 13 63.972 0.04 . 1 . . 190 . . 18 SER CB . 18841 1
199 . 1 1 18 18 SER N N 15 118.998 0.04 . 1 . . 123 . . 18 SER N . 18841 1
200 . 1 1 19 19 GLU H H 1 8.353 0.008 . 1 . . 83 . . 19 GLU H . 18841 1
201 . 1 1 19 19 GLU HA H 1 4.187 0.008 . 1 . . 323 . . 19 GLU HA . 18841 1
202 . 1 1 19 19 GLU HB2 H 1 1.868 0.008 . 2 . . 324 . . 19 GLU HB2 . 18841 1
203 . 1 1 19 19 GLU HB3 H 1 1.804 0.008 . 2 . . 325 . . 19 GLU HB3 . 18841 1
204 . 1 1 19 19 GLU HG2 H 1 2.081 0.008 . 2 . . 670 . . 19 GLU HG2 . 18841 1
205 . 1 1 19 19 GLU HG3 H 1 2.023 0.008 . 2 . . 669 . . 19 GLU HG3 . 18841 1
206 . 1 1 19 19 GLU C C 13 176.103 0.04 . 1 . . 322 . . 19 GLU C . 18841 1
207 . 1 1 19 19 GLU CA C 13 56.948 0.04 . 1 . . 188 . . 19 GLU CA . 18841 1
208 . 1 1 19 19 GLU CB C 13 30.200 0.04 . 1 . . 189 . . 19 GLU CB . 18841 1
209 . 1 1 19 19 GLU CG C 13 36.106 0.04 . 1 . . 564 . . 19 GLU CG . 18841 1
210 . 1 1 19 19 GLU N N 15 122.706 0.04 . 1 . . 84 . . 19 GLU N . 18841 1
211 . 1 1 20 20 PHE H H 1 8.102 0.008 . 1 . . 53 . . 20 PHE H . 18841 1
212 . 1 1 20 20 PHE HA H 1 4.611 0.008 . 1 . . 327 . . 20 PHE HA . 18841 1
213 . 1 1 20 20 PHE HB2 H 1 3.199 0.008 . 2 . . 328 . . 20 PHE HB2 . 18841 1
214 . 1 1 20 20 PHE HB3 H 1 2.928 0.008 . 2 . . 329 . . 20 PHE HB3 . 18841 1
215 . 1 1 20 20 PHE HD1 H 1 7.198 0.008 . 3 . . 536 . . 20 PHE HD1 . 18841 1
216 . 1 1 20 20 PHE HD2 H 1 7.198 0.008 . 3 . . 536 . . 20 PHE HD2 . 18841 1
217 . 1 1 20 20 PHE HE1 H 1 7.248 0.008 . 3 . . 537 . . 20 PHE HE1 . 18841 1
218 . 1 1 20 20 PHE HE2 H 1 7.248 0.008 . 3 . . 537 . . 20 PHE HE2 . 18841 1
219 . 1 1 20 20 PHE HZ H 1 7.081 0.008 . 1 . . 639 . . 20 PHE HZ . 18841 1
220 . 1 1 20 20 PHE C C 13 175.962 0.04 . 1 . . 326 . . 20 PHE C . 18841 1
221 . 1 1 20 20 PHE CA C 13 57.757 0.04 . 1 . . 186 . . 20 PHE CA . 18841 1
222 . 1 1 20 20 PHE CB C 13 39.953 0.04 . 1 . . 187 . . 20 PHE CB . 18841 1
223 . 1 1 20 20 PHE CD1 C 13 131.664 0.04 . 3 . . 628 . . 20 PHE CD1 . 18841 1
224 . 1 1 20 20 PHE CD2 C 13 131.664 0.04 . 3 . . 628 . . 20 PHE CD2 . 18841 1
225 . 1 1 20 20 PHE CE1 C 13 131.518 0.04 . 3 . . 631 . . 20 PHE CE1 . 18841 1
226 . 1 1 20 20 PHE CE2 C 13 131.518 0.04 . 3 . . 631 . . 20 PHE CE2 . 18841 1
227 . 1 1 20 20 PHE CZ C 13 129.830 0.04 . 1 . . 640 . . 20 PHE CZ . 18841 1
228 . 1 1 20 20 PHE N N 15 119.361 0.04 . 1 . . 54 . . 20 PHE N . 18841 1
229 . 1 1 21 21 GLU H H 1 8.456 0.008 . 1 . . 33 . . 21 GLU H . 18841 1
230 . 1 1 21 21 GLU HA H 1 4.279 0.008 . 1 . . 331 . . 21 GLU HA . 18841 1
231 . 1 1 21 21 GLU HB2 H 1 2.058 0.008 . 1 . . 332 . . 21 GLU HB2 . 18841 1
232 . 1 1 21 21 GLU HB3 H 1 2.058 0.008 . 1 . . 502 . . 21 GLU HB3 . 18841 1
233 . 1 1 21 21 GLU HG2 H 1 2.316 0.008 . 2 . . 671 . . 21 GLU HG2 . 18841 1
234 . 1 1 21 21 GLU HG3 H 1 2.273 0.008 . 2 . . 672 . . 21 GLU HG3 . 18841 1
235 . 1 1 21 21 GLU C C 13 176.757 0.04 . 1 . . 330 . . 21 GLU C . 18841 1
236 . 1 1 21 21 GLU CA C 13 57.516 0.04 . 1 . . 184 . . 21 GLU CA . 18841 1
237 . 1 1 21 21 GLU CB C 13 30.659 0.04 . 1 . . 185 . . 21 GLU CB . 18841 1
238 . 1 1 21 21 GLU CG C 13 36.555 0.04 . 1 . . 565 . . 21 GLU CG . 18841 1
239 . 1 1 21 21 GLU N N 15 121.475 0.04 . 1 . . 34 . . 21 GLU N . 18841 1
240 . 1 1 22 22 THR H H 1 7.933 0.008 . 1 . . 13 . . 22 THR H . 18841 1
241 . 1 1 22 22 THR HA H 1 4.474 0.008 . 1 . . 334 . . 22 THR HA . 18841 1
242 . 1 1 22 22 THR HB H 1 4.378 0.008 . 1 . . 335 . . 22 THR HB . 18841 1
243 . 1 1 22 22 THR HG21 H 1 1.228 0.008 . 1 . . 674 . . 22 THR HG21 . 18841 1
244 . 1 1 22 22 THR HG22 H 1 1.228 0.008 . 1 . . 674 . . 22 THR HG22 . 18841 1
245 . 1 1 22 22 THR HG23 H 1 1.228 0.008 . 1 . . 674 . . 22 THR HG23 . 18841 1
246 . 1 1 22 22 THR C C 13 174.957 0.04 . 1 . . 333 . . 22 THR C . 18841 1
247 . 1 1 22 22 THR CA C 13 61.356 0.04 . 1 . . 182 . . 22 THR CA . 18841 1
248 . 1 1 22 22 THR CB C 13 70.790 0.04 . 1 . . 183 . . 22 THR CB . 18841 1
249 . 1 1 22 22 THR CG2 C 13 21.951 0.04 . 1 . . 673 . . 22 THR CG2 . 18841 1
250 . 1 1 22 22 THR N N 15 112.347 0.04 . 1 . . 14 . . 22 THR N . 18841 1
251 . 1 1 23 23 ILE H H 1 8.323 0.008 . 1 . . 45 . . 23 ILE H . 18841 1
252 . 1 1 23 23 ILE HA H 1 4.113 0.008 . 1 . . 337 . . 23 ILE HA . 18841 1
253 . 1 1 23 23 ILE HB H 1 1.873 0.008 . 1 . . 338 . . 23 ILE HB . 18841 1
254 . 1 1 23 23 ILE HG12 H 1 1.501 0.008 . 2 . . 677 . . 23 ILE HG12 . 18841 1
255 . 1 1 23 23 ILE HG13 H 1 1.228 0.008 . 2 . . 678 . . 23 ILE HG13 . 18841 1
256 . 1 1 23 23 ILE HG21 H 1 0.913 0.008 . 1 . . 676 . . 23 ILE HG21 . 18841 1
257 . 1 1 23 23 ILE HG22 H 1 0.913 0.008 . 1 . . 676 . . 23 ILE HG22 . 18841 1
258 . 1 1 23 23 ILE HG23 H 1 0.913 0.008 . 1 . . 676 . . 23 ILE HG23 . 18841 1
259 . 1 1 23 23 ILE HD11 H 1 0.860 0.008 . 1 . . 675 . . 23 ILE HD11 . 18841 1
260 . 1 1 23 23 ILE HD12 H 1 0.860 0.008 . 1 . . 675 . . 23 ILE HD12 . 18841 1
261 . 1 1 23 23 ILE HD13 H 1 0.860 0.008 . 1 . . 675 . . 23 ILE HD13 . 18841 1
262 . 1 1 23 23 ILE C C 13 176.814 0.04 . 1 . . 336 . . 23 ILE C . 18841 1
263 . 1 1 23 23 ILE CA C 13 62.105 0.04 . 1 . . 181 . . 23 ILE CA . 18841 1
264 . 1 1 23 23 ILE CB C 13 38.559 0.04 . 1 . . 180 . . 23 ILE CB . 18841 1
265 . 1 1 23 23 ILE CG1 C 13 27.923 0.04 . 1 . . 566 . . 23 ILE CG1 . 18841 1
266 . 1 1 23 23 ILE CG2 C 13 17.609 0.04 . 1 . . 567 . . 23 ILE CG2 . 18841 1
267 . 1 1 23 23 ILE CD1 C 13 13.162 0.04 . 1 . . 568 . . 23 ILE CD1 . 18841 1
268 . 1 1 23 23 ILE N N 15 122.874 0.04 . 1 . . 46 . . 23 ILE N . 18841 1
269 . 1 1 24 24 GLU H H 1 8.446 0.008 . 1 . . 35 . . 24 GLU H . 18841 1
270 . 1 1 24 24 GLU HA H 1 4.190 0.008 . 1 . . 340 . . 24 GLU HA . 18841 1
271 . 1 1 24 24 GLU HB2 H 1 2.013 0.008 . 1 . . 341 . . 24 GLU HB2 . 18841 1
272 . 1 1 24 24 GLU HB3 H 1 2.013 0.008 . 1 . . 503 . . 24 GLU HB3 . 18841 1
273 . 1 1 24 24 GLU HG2 H 1 2.293 0.008 . 1 . . 680 . . 24 GLU HG2 . 18841 1
274 . 1 1 24 24 GLU HG3 H 1 2.293 0.008 . 1 . . 679 . . 24 GLU HG3 . 18841 1
275 . 1 1 24 24 GLU C C 13 177.841 0.04 . 1 . . 339 . . 24 GLU C . 18841 1
276 . 1 1 24 24 GLU CA C 13 58.205 0.04 . 1 . . 179 . . 24 GLU CA . 18841 1
277 . 1 1 24 24 GLU CB C 13 29.654 0.04 . 1 . . 178 . . 24 GLU CB . 18841 1
278 . 1 1 24 24 GLU CG C 13 36.529 0.04 . 1 . . 569 . . 24 GLU CG . 18841 1
279 . 1 1 24 24 GLU N N 15 123.212 0.04 . 1 . . 36 . . 24 GLU N . 18841 1
280 . 1 1 25 25 GLN H H 1 8.183 0.008 . 1 . . 144 . . 25 GLN H . 18841 1
281 . 1 1 25 25 GLN HA H 1 4.217 0.008 . 1 . . 343 . . 25 GLN HA . 18841 1
282 . 1 1 25 25 GLN HB2 H 1 2.138 0.008 . 1 . . 504 . . 25 GLN HB2 . 18841 1
283 . 1 1 25 25 GLN HB3 H 1 2.138 0.008 . 1 . . 344 . . 25 GLN HB3 . 18841 1
284 . 1 1 25 25 GLN HG2 H 1 2.416 0.008 . 1 . . 625 . . 25 GLN HG2 . 18841 1
285 . 1 1 25 25 GLN HG3 H 1 2.416 0.008 . 1 . . 624 . . 25 GLN HG3 . 18841 1
286 . 1 1 25 25 GLN HE21 H 1 7.541 0.008 . 1 . . 55 . . 25 GLN HE21 . 18841 1
287 . 1 1 25 25 GLN HE22 H 1 6.950 0.008 . 1 . . 51 . . 25 GLN HE22 . 18841 1
288 . 1 1 25 25 GLN C C 13 177.044 0.04 . 1 . . 342 . . 25 GLN C . 18841 1
289 . 1 1 25 25 GLN CA C 13 57.192 0.04 . 1 . . 176 . . 25 GLN CA . 18841 1
290 . 1 1 25 25 GLN CB C 13 29.390 0.04 . 1 . . 177 . . 25 GLN CB . 18841 1
291 . 1 1 25 25 GLN CG C 13 34.090 0.04 . 1 . . 570 . . 25 GLN CG . 18841 1
292 . 1 1 25 25 GLN N N 15 120.567 0.04 . 1 . . 145 . . 25 GLN N . 18841 1
293 . 1 1 25 25 GLN NE2 N 15 112.258 0.04 . 1 . . 52 . . 25 GLN NE2 . 18841 1
294 . 1 1 26 26 GLU H H 1 8.176 0.008 . 1 . . 138 . . 26 GLU H . 18841 1
295 . 1 1 26 26 GLU HA H 1 3.804 0.008 . 1 . . 346 . . 26 GLU HA . 18841 1
296 . 1 1 26 26 GLU HB2 H 1 2.076 0.008 . 2 . . 347 . . 26 GLU HB2 . 18841 1
297 . 1 1 26 26 GLU HB3 H 1 1.919 0.008 . 2 . . 348 . . 26 GLU HB3 . 18841 1
298 . 1 1 26 26 GLU HG2 H 1 2.190 0.008 . 1 . . 682 . . 26 GLU HG2 . 18841 1
299 . 1 1 26 26 GLU HG3 H 1 2.190 0.008 . 1 . . 681 . . 26 GLU HG3 . 18841 1
300 . 1 1 26 26 GLU C C 13 177.244 0.04 . 1 . . 345 . . 26 GLU C . 18841 1
301 . 1 1 26 26 GLU CA C 13 58.035 0.04 . 1 . . 175 . . 26 GLU CA . 18841 1
302 . 1 1 26 26 GLU CB C 13 29.898 0.04 . 1 . . 174 . . 26 GLU CB . 18841 1
303 . 1 1 26 26 GLU CG C 13 36.112 0.04 . 1 . . 571 . . 26 GLU CG . 18841 1
304 . 1 1 26 26 GLU N N 15 121.801 0.04 . 1 . . 139 . . 26 GLU N . 18841 1
305 . 1 1 27 27 ASN H H 1 8.583 0.008 . 1 . . 114 . . 27 ASN H . 18841 1
306 . 1 1 27 27 ASN HA H 1 4.658 0.008 . 1 . . 350 . . 27 ASN HA . 18841 1
307 . 1 1 27 27 ASN HB2 H 1 2.866 0.008 . 1 . . 505 . . 27 ASN HB2 . 18841 1
308 . 1 1 27 27 ASN HB3 H 1 2.866 0.008 . 1 . . 351 . . 27 ASN HB3 . 18841 1
309 . 1 1 27 27 ASN HD21 H 1 6.921 0.008 . 1 . . 17 . . 27 ASN HD21 . 18841 1
310 . 1 1 27 27 ASN HD22 H 1 7.682 0.008 . 1 . . 87 . . 27 ASN HD22 . 18841 1
311 . 1 1 27 27 ASN C C 13 176.714 0.04 . 1 . . 349 . . 27 ASN C . 18841 1
312 . 1 1 27 27 ASN CA C 13 54.638 0.04 . 1 . . 172 . . 27 ASN CA . 18841 1
313 . 1 1 27 27 ASN CB C 13 38.588 0.04 . 1 . . 173 . . 27 ASN CB . 18841 1
314 . 1 1 27 27 ASN N N 15 118.872 0.04 . 1 . . 115 . . 27 ASN N . 18841 1
315 . 1 1 27 27 ASN ND2 N 15 112.736 0.04 . 1 . . 18 . . 27 ASN ND2 . 18841 1
316 . 1 1 28 28 SER H H 1 8.286 0.008 . 1 . . 74 . . 28 SER H . 18841 1
317 . 1 1 28 28 SER HA H 1 4.373 0.008 . 1 . . 353 . . 28 SER HA . 18841 1
318 . 1 1 28 28 SER HB2 H 1 3.990 0.008 . 2 . . 354 . . 28 SER HB2 . 18841 1
319 . 1 1 28 28 SER HB3 H 1 3.957 0.008 . 2 . . 355 . . 28 SER HB3 . 18841 1
320 . 1 1 28 28 SER C C 13 175.733 0.04 . 1 . . 352 . . 28 SER C . 18841 1
321 . 1 1 28 28 SER CA C 13 60.335 0.04 . 1 . . 170 . . 28 SER CA . 18841 1
322 . 1 1 28 28 SER CB C 13 63.350 0.04 . 1 . . 171 . . 28 SER CB . 18841 1
323 . 1 1 28 28 SER N N 15 116.204 0.04 . 1 . . 75 . . 28 SER N . 18841 1
324 . 1 1 29 29 TYR H H 1 8.237 0.008 . 1 . . 95 . . 29 TYR H . 18841 1
325 . 1 1 29 29 TYR HA H 1 4.295 0.008 . 1 . . 357 . . 29 TYR HA . 18841 1
326 . 1 1 29 29 TYR HB2 H 1 2.980 0.008 . 1 . . 358 . . 29 TYR HB2 . 18841 1
327 . 1 1 29 29 TYR HB3 H 1 2.980 0.008 . 1 . . 506 . . 29 TYR HB3 . 18841 1
328 . 1 1 29 29 TYR HD1 H 1 7.019 0.008 . 3 . . 534 . . 29 TYR HD1 . 18841 1
329 . 1 1 29 29 TYR HD2 H 1 7.019 0.008 . 3 . . 534 . . 29 TYR HD2 . 18841 1
330 . 1 1 29 29 TYR HE1 H 1 6.836 0.008 . 3 . . 535 . . 29 TYR HE1 . 18841 1
331 . 1 1 29 29 TYR HE2 H 1 6.836 0.008 . 3 . . 535 . . 29 TYR HE2 . 18841 1
332 . 1 1 29 29 TYR C C 13 176.441 0.04 . 1 . . 356 . . 29 TYR C . 18841 1
333 . 1 1 29 29 TYR CA C 13 60.446 0.04 . 1 . . 168 . . 29 TYR CA . 18841 1
334 . 1 1 29 29 TYR CB C 13 38.477 0.04 . 1 . . 169 . . 29 TYR CB . 18841 1
335 . 1 1 29 29 TYR CD1 C 13 133.239 0.04 . 3 . . 626 . . 29 TYR CD1 . 18841 1
336 . 1 1 29 29 TYR CD2 C 13 133.239 0.04 . 3 . . 626 . . 29 TYR CD2 . 18841 1
337 . 1 1 29 29 TYR CE1 C 13 118.307 0.04 . 3 . . 550 . . 29 TYR CE1 . 18841 1
338 . 1 1 29 29 TYR CE2 C 13 118.307 0.04 . 3 . . 550 . . 29 TYR CE2 . 18841 1
339 . 1 1 29 29 TYR N N 15 123.705 0.04 . 1 . . 96 . . 29 TYR N . 18841 1
340 . 1 1 30 30 ASN H H 1 8.317 0.008 . 1 . . 116 . . 30 ASN H . 18841 1
341 . 1 1 30 30 ASN HA H 1 4.428 0.008 . 1 . . 360 . . 30 ASN HA . 18841 1
342 . 1 1 30 30 ASN HB2 H 1 2.835 0.008 . 2 . . 361 . . 30 ASN HB2 . 18841 1
343 . 1 1 30 30 ASN HB3 H 1 2.721 0.008 . 2 . . 362 . . 30 ASN HB3 . 18841 1
344 . 1 1 30 30 ASN HD21 H 1 7.641 0.008 . 1 . . 76 . . 30 ASN HD21 . 18841 1
345 . 1 1 30 30 ASN HD22 H 1 7.059 0.008 . 1 . . 92 . . 30 ASN HD22 . 18841 1
346 . 1 1 30 30 ASN C C 13 177.386 0.04 . 1 . . 359 . . 30 ASN C . 18841 1
347 . 1 1 30 30 ASN CA C 13 55.452 0.04 . 1 . . 166 . . 30 ASN CA . 18841 1
348 . 1 1 30 30 ASN CB C 13 38.445 0.04 . 1 . . 167 . . 30 ASN CB . 18841 1
349 . 1 1 30 30 ASN N N 15 118.190 0.04 . 1 . . 117 . . 30 ASN N . 18841 1
350 . 1 1 30 30 ASN ND2 N 15 112.529 0.04 . 1 . . 77 . . 30 ASN ND2 . 18841 1
351 . 1 1 31 31 GLU H H 1 8.210 0.008 . 1 . . 124 . . 31 GLU H . 18841 1
352 . 1 1 31 31 GLU HA H 1 4.057 0.008 . 1 . . 364 . . 31 GLU HA . 18841 1
353 . 1 1 31 31 GLU HB2 H 1 2.078 0.008 . 1 . . 365 . . 31 GLU HB2 . 18841 1
354 . 1 1 31 31 GLU HB3 H 1 2.078 0.008 . 1 . . 507 . . 31 GLU HB3 . 18841 1
355 . 1 1 31 31 GLU HG2 H 1 2.258 0.008 . 1 . . 683 . . 31 GLU HG2 . 18841 1
356 . 1 1 31 31 GLU HG3 H 1 2.258 0.008 . 1 . . 684 . . 31 GLU HG3 . 18841 1
357 . 1 1 31 31 GLU C C 13 178.045 0.04 . 1 . . 363 . . 31 GLU C . 18841 1
358 . 1 1 31 31 GLU CA C 13 58.839 0.04 . 1 . . 165 . . 31 GLU CA . 18841 1
359 . 1 1 31 31 GLU CB C 13 29.631 0.04 . 1 . . 164 . . 31 GLU CB . 18841 1
360 . 1 1 31 31 GLU CG C 13 36.230 0.04 . 1 . . 572 . . 31 GLU CG . 18841 1
361 . 1 1 31 31 GLU N N 15 120.505 0.04 . 1 . . 125 . . 31 GLU N . 18841 1
362 . 1 1 32 32 TRP H H 1 8.031 0.008 . 1 . . 43 . . 32 TRP H . 18841 1
363 . 1 1 32 32 TRP HA H 1 4.316 0.008 . 1 . . 367 . . 32 TRP HA . 18841 1
364 . 1 1 32 32 TRP HB2 H 1 3.477 0.008 . 1 . . 368 . . 32 TRP HB2 . 18841 1
365 . 1 1 32 32 TRP HB3 H 1 3.265 0.008 . 2 . . 508 . . 32 TRP HB3 . 18841 1
366 . 1 1 32 32 TRP HD1 H 1 7.221 0.008 . 1 . . 542 . . 32 TRP HD1 . 18841 1
367 . 1 1 32 32 TRP HE1 H 1 10.177 0.008 . 1 . . 56 . . 32 TRP HE1 . 18841 1
368 . 1 1 32 32 TRP HE3 H 1 7.341 0.008 . 1 . . 637 . . 32 TRP HE3 . 18841 1
369 . 1 1 32 32 TRP HZ2 H 1 7.467 0.008 . 1 . . 548 . . 32 TRP HZ2 . 18841 1
370 . 1 1 32 32 TRP HZ3 H 1 7.066 0.008 . 1 . . 635 . . 32 TRP HZ3 . 18841 1
371 . 1 1 32 32 TRP HH2 H 1 7.187 0.008 . 1 . . 633 . . 32 TRP HH2 . 18841 1
372 . 1 1 32 32 TRP C C 13 177.638 0.04 . 1 . . 366 . . 32 TRP C . 18841 1
373 . 1 1 32 32 TRP CA C 13 60.090 0.04 . 1 . . 155 . . 32 TRP CA . 18841 1
374 . 1 1 32 32 TRP CB C 13 28.545 0.04 . 1 . . 154 . . 32 TRP CB . 18841 1
375 . 1 1 32 32 TRP CD1 C 13 127.245 0.04 . 1 . . 547 . . 32 TRP CD1 . 18841 1
376 . 1 1 32 32 TRP CE3 C 13 120.812 0.04 . 1 . . 636 . . 32 TRP CE3 . 18841 1
377 . 1 1 32 32 TRP CZ2 C 13 114.389 0.04 . 1 . . 549 . . 32 TRP CZ2 . 18841 1
378 . 1 1 32 32 TRP CZ3 C 13 122.081 0.04 . 1 . . 634 . . 32 TRP CZ3 . 18841 1
379 . 1 1 32 32 TRP CH2 C 13 124.353 0.04 . 1 . . 632 . . 32 TRP CH2 . 18841 1
380 . 1 1 32 32 TRP N N 15 122.277 0.04 . 1 . . 44 . . 32 TRP N . 18841 1
381 . 1 1 32 32 TRP NE1 N 15 129.581 0.04 . 1 . . 57 . . 32 TRP NE1 . 18841 1
382 . 1 1 33 33 LEU H H 1 8.206 0.008 . 1 . . 25 . . 33 LEU H . 18841 1
383 . 1 1 33 33 LEU HA H 1 3.661 0.008 . 1 . . 370 . . 33 LEU HA . 18841 1
384 . 1 1 33 33 LEU HB2 H 1 1.501 0.008 . 1 . . 509 . . 33 LEU HB2 . 18841 1
385 . 1 1 33 33 LEU HB3 H 1 1.501 0.008 . 1 . . 371 . . 33 LEU HB3 . 18841 1
386 . 1 1 33 33 LEU HG H 1 1.472 0.008 . 1 . . 687 . . 33 LEU HG . 18841 1
387 . 1 1 33 33 LEU HD11 H 1 0.829 0.008 . 1 . . 685 . . 33 LEU HD11 . 18841 1
388 . 1 1 33 33 LEU HD12 H 1 0.829 0.008 . 1 . . 685 . . 33 LEU HD12 . 18841 1
389 . 1 1 33 33 LEU HD13 H 1 0.829 0.008 . 1 . . 685 . . 33 LEU HD13 . 18841 1
390 . 1 1 33 33 LEU HD21 H 1 0.834 0.008 . 1 . . 686 . . 33 LEU HD21 . 18841 1
391 . 1 1 33 33 LEU HD22 H 1 0.834 0.008 . 1 . . 686 . . 33 LEU HD22 . 18841 1
392 . 1 1 33 33 LEU HD23 H 1 0.834 0.008 . 1 . . 686 . . 33 LEU HD23 . 18841 1
393 . 1 1 33 33 LEU C C 13 178.681 0.04 . 1 . . 369 . . 33 LEU C . 18841 1
394 . 1 1 33 33 LEU CA C 13 56.929 0.04 . 1 . . 153 . . 33 LEU CA . 18841 1
395 . 1 1 33 33 LEU CB C 13 42.202 0.04 . 1 . . 152 . . 33 LEU CB . 18841 1
396 . 1 1 33 33 LEU CG C 13 26.746 0.04 . 1 . . 573 . . 33 LEU CG . 18841 1
397 . 1 1 33 33 LEU CD1 C 13 24.097 0.04 . 2 . . 575 . . 33 LEU CD1 . 18841 1
398 . 1 1 33 33 LEU CD2 C 13 24.886 0.04 . 2 . . 574 . . 33 LEU CD2 . 18841 1
399 . 1 1 33 33 LEU N N 15 120.308 0.04 . 1 . . 26 . . 33 LEU N . 18841 1
400 . 1 1 34 34 ARG H H 1 7.821 0.008 . 1 . . 88 . . 34 ARG H . 18841 1
401 . 1 1 34 34 ARG HA H 1 4.012 0.008 . 1 . . 373 . . 34 ARG HA . 18841 1
402 . 1 1 34 34 ARG HB2 H 1 1.839 0.008 . 1 . . 374 . . 34 ARG HB2 . 18841 1
403 . 1 1 34 34 ARG HB3 H 1 1.839 0.008 . 1 . . 510 . . 34 ARG HB3 . 18841 1
404 . 1 1 34 34 ARG HG2 H 1 1.596 0.008 . 2 . . 690 . . 34 ARG HG2 . 18841 1
405 . 1 1 34 34 ARG HG3 H 1 1.721 0.008 . 2 . . 691 . . 34 ARG HG3 . 18841 1
406 . 1 1 34 34 ARG HD2 H 1 3.176 0.008 . 1 . . 688 . . 34 ARG HD2 . 18841 1
407 . 1 1 34 34 ARG HD3 H 1 3.176 0.008 . 1 . . 689 . . 34 ARG HD3 . 18841 1
408 . 1 1 34 34 ARG C C 13 177.566 0.04 . 1 . . 372 . . 34 ARG C . 18841 1
409 . 1 1 34 34 ARG CA C 13 58.038 0.04 . 1 . . 150 . . 34 ARG CA . 18841 1
410 . 1 1 34 34 ARG CB C 13 30.368 0.04 . 1 . . 151 . . 34 ARG CB . 18841 1
411 . 1 1 34 34 ARG CG C 13 27.515 0.04 . 1 . . 577 . . 34 ARG CG . 18841 1
412 . 1 1 34 34 ARG CD C 13 43.482 0.04 . 1 . . 576 . . 34 ARG CD . 18841 1
413 . 1 1 34 34 ARG N N 15 118.304 0.04 . 1 . . 89 . . 34 ARG N . 18841 1
414 . 1 1 35 35 ALA H H 1 7.753 0.008 . 1 . . 99 . . 35 ALA H . 18841 1
415 . 1 1 35 35 ALA HA H 1 4.190 0.008 . 1 . . 376 . . 35 ALA HA . 18841 1
416 . 1 1 35 35 ALA HB1 H 1 1.399 0.008 . 1 . . 377 . . 35 ALA HB1 . 18841 1
417 . 1 1 35 35 ALA HB2 H 1 1.399 0.008 . 1 . . 377 . . 35 ALA HB2 . 18841 1
418 . 1 1 35 35 ALA HB3 H 1 1.399 0.008 . 1 . . 377 . . 35 ALA HB3 . 18841 1
419 . 1 1 35 35 ALA C C 13 178.657 0.04 . 1 . . 375 . . 35 ALA C . 18841 1
420 . 1 1 35 35 ALA CA C 13 53.504 0.04 . 1 . . 148 . . 35 ALA CA . 18841 1
421 . 1 1 35 35 ALA CB C 13 18.728 0.04 . 1 . . 149 . . 35 ALA CB . 18841 1
422 . 1 1 35 35 ALA N N 15 121.975 0.04 . 1 . . 100 . . 35 ALA N . 18841 1
423 . 1 1 36 36 LYS H H 1 7.865 0.008 . 1 . . 1 . . 36 LYS H . 18841 1
424 . 1 1 36 36 LYS HA H 1 4.050 0.008 . 1 . . 380 . . 36 LYS HA . 18841 1
425 . 1 1 36 36 LYS HB2 H 1 1.490 0.008 . 2 . . 382 . . 36 LYS HB2 . 18841 1
426 . 1 1 36 36 LYS HB3 H 1 1.605 0.008 . 2 . . 381 . . 36 LYS HB3 . 18841 1
427 . 1 1 36 36 LYS HG2 H 1 1.120 0.008 . 1 . . 696 . . 36 LYS HG2 . 18841 1
428 . 1 1 36 36 LYS HG3 H 1 1.120 0.008 . 1 . . 693 . . 36 LYS HG3 . 18841 1
429 . 1 1 36 36 LYS HD2 H 1 1.392 0.008 . 1 . . 757 . . 36 LYS HD2 . 18841 1
430 . 1 1 36 36 LYS HD3 H 1 1.392 0.008 . 1 . . 756 . . 36 LYS HD3 . 18841 1
431 . 1 1 36 36 LYS HE2 H 1 2.810 0.008 . 2 . . 692 . . 36 LYS HE2 . 18841 1
432 . 1 1 36 36 LYS HE3 H 1 2.726 0.008 . 2 . . 755 . . 36 LYS HE3 . 18841 1
433 . 1 1 36 36 LYS C C 13 177.677 0.04 . 1 . . 379 . . 36 LYS C . 18841 1
434 . 1 1 36 36 LYS CA C 13 57.190 0.04 . 1 . . 163 . . 36 LYS CA . 18841 1
435 . 1 1 36 36 LYS CB C 13 32.301 0.04 . 1 . . 162 . . 36 LYS CB . 18841 1
436 . 1 1 36 36 LYS CG C 13 24.244 0.04 . 1 . . 580 . . 36 LYS CG . 18841 1
437 . 1 1 36 36 LYS CD C 13 28.841 0.04 . 1 . . 579 . . 36 LYS CD . 18841 1
438 . 1 1 36 36 LYS CE C 13 42.006 0.04 . 1 . . 578 . . 36 LYS CE . 18841 1
439 . 1 1 36 36 LYS N N 15 119.364 0.04 . 1 . . 2 . . 36 LYS N . 18841 1
440 . 1 1 37 37 VAL H H 1 7.890 0.008 . 1 . . 142 . . 37 VAL H . 18841 1
441 . 1 1 37 37 VAL HA H 1 3.972 0.008 . 1 . . 384 . . 37 VAL HA . 18841 1
442 . 1 1 37 37 VAL HB H 1 2.089 0.008 . 1 . . 385 . . 37 VAL HB . 18841 1
443 . 1 1 37 37 VAL HG11 H 1 0.917 0.008 . 1 . . 698 . . 37 VAL HG11 . 18841 1
444 . 1 1 37 37 VAL HG12 H 1 0.917 0.008 . 1 . . 698 . . 37 VAL HG12 . 18841 1
445 . 1 1 37 37 VAL HG13 H 1 0.917 0.008 . 1 . . 698 . . 37 VAL HG13 . 18841 1
446 . 1 1 37 37 VAL HG21 H 1 0.917 0.008 . 1 . . 697 . . 37 VAL HG21 . 18841 1
447 . 1 1 37 37 VAL HG22 H 1 0.917 0.008 . 1 . . 697 . . 37 VAL HG22 . 18841 1
448 . 1 1 37 37 VAL HG23 H 1 0.917 0.008 . 1 . . 697 . . 37 VAL HG23 . 18841 1
449 . 1 1 37 37 VAL C C 13 176.618 0.04 . 1 . . 383 . . 37 VAL C . 18841 1
450 . 1 1 37 37 VAL CA C 13 63.240 0.04 . 1 . . 161 . . 37 VAL CA . 18841 1
451 . 1 1 37 37 VAL CB C 13 32.481 0.04 . 1 . . 378 . . 37 VAL CB . 18841 1
452 . 1 1 37 37 VAL CG1 C 13 21.110 0.04 . 1 . . 581 . . 37 VAL CG1 . 18841 1
453 . 1 1 37 37 VAL CG2 C 13 21.110 0.04 . 1 . . 582 . . 37 VAL CG2 . 18841 1
454 . 1 1 37 37 VAL N N 15 119.260 0.04 . 1 . . 143 . . 37 VAL N . 18841 1
455 . 1 1 38 38 ALA H H 1 8.113 0.008 . 1 . . 130 . . 38 ALA H . 18841 1
456 . 1 1 38 38 ALA HA H 1 4.310 0.008 . 1 . . 387 . . 38 ALA HA . 18841 1
457 . 1 1 38 38 ALA HB1 H 1 1.439 0.008 . 1 . . 388 . . 38 ALA HB1 . 18841 1
458 . 1 1 38 38 ALA HB2 H 1 1.439 0.008 . 1 . . 388 . . 38 ALA HB2 . 18841 1
459 . 1 1 38 38 ALA HB3 H 1 1.439 0.008 . 1 . . 388 . . 38 ALA HB3 . 18841 1
460 . 1 1 38 38 ALA C C 13 178.479 0.04 . 1 . . 386 . . 38 ALA C . 18841 1
461 . 1 1 38 38 ALA CA C 13 53.334 0.04 . 1 . . 157 . . 38 ALA CA . 18841 1
462 . 1 1 38 38 ALA CB C 13 19.089 0.04 . 1 . . 156 . . 38 ALA CB . 18841 1
463 . 1 1 38 38 ALA N N 15 125.467 0.04 . 1 . . 131 . . 38 ALA N . 18841 1
464 . 1 1 39 39 THR H H 1 8.007 0.008 . 1 . . 81 . . 39 THR H . 18841 1
465 . 1 1 39 39 THR HA H 1 4.296 0.008 . 1 . . 390 . . 39 THR HA . 18841 1
466 . 1 1 39 39 THR HB H 1 4.274 0.008 . 1 . . 500 . . 39 THR HB . 18841 1
467 . 1 1 39 39 THR HG21 H 1 1.233 0.008 . 1 . . 699 . . 39 THR HG21 . 18841 1
468 . 1 1 39 39 THR HG22 H 1 1.233 0.008 . 1 . . 699 . . 39 THR HG22 . 18841 1
469 . 1 1 39 39 THR HG23 H 1 1.233 0.008 . 1 . . 699 . . 39 THR HG23 . 18841 1
470 . 1 1 39 39 THR C C 13 174.926 0.04 . 1 . . 389 . . 39 THR C . 18841 1
471 . 1 1 39 39 THR CA C 13 62.564 0.04 . 1 . . 158 . . 39 THR CA . 18841 1
472 . 1 1 39 39 THR CB C 13 69.696 0.04 . 1 . . 159 . . 39 THR CB . 18841 1
473 . 1 1 39 39 THR CG2 C 13 21.703 0.04 . 1 . . 583 . . 39 THR CG2 . 18841 1
474 . 1 1 39 39 THR N N 15 112.458 0.04 . 1 . . 82 . . 39 THR N . 18841 1
475 . 1 1 40 40 SER H H 1 8.159 0.008 . 1 . . 62 . . 40 SER H . 18841 1
476 . 1 1 40 40 SER HA H 1 4.476 0.008 . 1 . . 392 . . 40 SER HA . 18841 1
477 . 1 1 40 40 SER HB2 H 1 3.917 0.008 . 1 . . 511 . . 40 SER HB2 . 18841 1
478 . 1 1 40 40 SER HB3 H 1 3.917 0.008 . 1 . . 393 . . 40 SER HB3 . 18841 1
479 . 1 1 40 40 SER C C 13 174.710 0.04 . 1 . . 391 . . 40 SER C . 18841 1
480 . 1 1 40 40 SER CA C 13 58.730 0.04 . 1 . . 232 . . 40 SER CA . 18841 1
481 . 1 1 40 40 SER CB C 13 63.853 0.04 . 1 . . 233 . . 40 SER CB . 18841 1
482 . 1 1 40 40 SER N N 15 117.702 0.04 . 1 . . 63 . . 40 SER N . 18841 1
483 . 1 1 41 41 LEU H H 1 8.134 0.008 . 1 . . 108 . . 41 LEU H . 18841 1
484 . 1 1 41 41 LEU HA H 1 4.321 0.008 . 1 . . 395 . . 41 LEU HA . 18841 1
485 . 1 1 41 41 LEU HB2 H 1 1.658 0.008 . 2 . . 758 . . 41 LEU HB2 . 18841 1
486 . 1 1 41 41 LEU HB3 H 1 1.595 0.008 . 2 . . 396 . . 41 LEU HB3 . 18841 1
487 . 1 1 41 41 LEU HG H 1 1.596 0.008 . 1 . . 702 . . 41 LEU HG . 18841 1
488 . 1 1 41 41 LEU HD11 H 1 0.865 0.008 . 2 . . 701 . . 41 LEU HD11 . 18841 1
489 . 1 1 41 41 LEU HD12 H 1 0.865 0.008 . 2 . . 701 . . 41 LEU HD12 . 18841 1
490 . 1 1 41 41 LEU HD13 H 1 0.865 0.008 . 2 . . 701 . . 41 LEU HD13 . 18841 1
491 . 1 1 41 41 LEU HD21 H 1 0.920 0.008 . 2 . . 700 . . 41 LEU HD21 . 18841 1
492 . 1 1 41 41 LEU HD22 H 1 0.920 0.008 . 2 . . 700 . . 41 LEU HD22 . 18841 1
493 . 1 1 41 41 LEU HD23 H 1 0.920 0.008 . 2 . . 700 . . 41 LEU HD23 . 18841 1
494 . 1 1 41 41 LEU C C 13 177.056 0.04 . 1 . . 394 . . 41 LEU C . 18841 1
495 . 1 1 41 41 LEU CA C 13 55.451 0.04 . 1 . . 234 . . 41 LEU CA . 18841 1
496 . 1 1 41 41 LEU CB C 13 42.324 0.04 . 1 . . 235 . . 41 LEU CB . 18841 1
497 . 1 1 41 41 LEU CG C 13 27.067 0.04 . 1 . . 584 . . 41 LEU CG . 18841 1
498 . 1 1 41 41 LEU CD1 C 13 23.396 0.04 . 2 . . 586 . . 41 LEU CD1 . 18841 1
499 . 1 1 41 41 LEU CD2 C 13 25.135 0.04 . 2 . . 585 . . 41 LEU CD2 . 18841 1
500 . 1 1 41 41 LEU N N 15 123.550 0.04 . 1 . . 109 . . 41 LEU N . 18841 1
501 . 1 1 42 42 ALA H H 1 8.029 0.008 . 1 . . 112 . . 42 ALA H . 18841 1
502 . 1 1 42 42 ALA HA H 1 4.296 0.008 . 1 . . 399 . . 42 ALA HA . 18841 1
503 . 1 1 42 42 ALA HB1 H 1 1.374 0.008 . 1 . . 400 . . 42 ALA HB1 . 18841 1
504 . 1 1 42 42 ALA HB2 H 1 1.374 0.008 . 1 . . 400 . . 42 ALA HB2 . 18841 1
505 . 1 1 42 42 ALA HB3 H 1 1.374 0.008 . 1 . . 400 . . 42 ALA HB3 . 18841 1
506 . 1 1 42 42 ALA C C 13 177.101 0.04 . 1 . . 398 . . 42 ALA C . 18841 1
507 . 1 1 42 42 ALA CA C 13 52.397 0.04 . 1 . . 237 . . 42 ALA CA . 18841 1
508 . 1 1 42 42 ALA CB C 13 19.396 0.04 . 1 . . 236 . . 42 ALA CB . 18841 1
509 . 1 1 42 42 ALA N N 15 123.393 0.04 . 1 . . 113 . . 42 ALA N . 18841 1
510 . 1 1 43 43 ASP H H 1 8.031 0.008 . 1 . . 120 . . 43 ASP H . 18841 1
511 . 1 1 43 43 ASP HA H 1 4.834 0.008 . 1 . . 773 . . 43 ASP HA . 18841 1
512 . 1 1 43 43 ASP HB2 H 1 2.746 0.008 . 2 . . 775 . . 43 ASP HB2 . 18841 1
513 . 1 1 43 43 ASP HB3 H 1 2.518 0.008 . 2 . . 774 . . 43 ASP HB3 . 18841 1
514 . 1 1 43 43 ASP CA C 13 52.223 0.04 . 1 . . 501 . . 43 ASP CA . 18841 1
515 . 1 1 43 43 ASP CB C 13 41.148 0.04 . 1 . . 397 . . 43 ASP CB . 18841 1
516 . 1 1 43 43 ASP N N 15 120.615 0.04 . 1 . . 121 . . 43 ASP N . 18841 1
517 . 1 1 44 44 PRO HA H 1 4.458 0.008 . 1 . . 404 . . 44 PRO HA . 18841 1
518 . 1 1 44 44 PRO HB2 H 1 1.949 0.008 . 2 . . 406 . . 44 PRO HB2 . 18841 1
519 . 1 1 44 44 PRO HB3 H 1 2.256 0.008 . 2 . . 405 . . 44 PRO HB3 . 18841 1
520 . 1 1 44 44 PRO HG2 H 1 2.000 0.008 . 1 . . 706 . . 44 PRO HG2 . 18841 1
521 . 1 1 44 44 PRO HG3 H 1 2.000 0.008 . 1 . . 705 . . 44 PRO HG3 . 18841 1
522 . 1 1 44 44 PRO HD2 H 1 3.614 0.008 . 2 . . 784 . . 44 PRO HD2 . 18841 1
523 . 1 1 44 44 PRO HD3 H 1 3.775 0.008 . 2 . . 707 . . 44 PRO HD3 . 18841 1
524 . 1 1 44 44 PRO C C 13 176.864 0.04 . 1 . . 401 . . 44 PRO C . 18841 1
525 . 1 1 44 44 PRO CA C 13 63.229 0.04 . 1 . . 512 . . 44 PRO CA . 18841 1
526 . 1 1 44 44 PRO CB C 13 32.164 0.04 . 1 . . 513 . . 44 PRO CB . 18841 1
527 . 1 1 44 44 PRO CG C 13 27.171 0.04 . 1 . . 588 . . 44 PRO CG . 18841 1
528 . 1 1 44 44 PRO CD C 13 50.574 0.04 . 1 . . 587 . . 44 PRO CD . 18841 1
529 . 1 1 45 45 ARG H H 1 8.357 0.008 . 1 . . 47 . . 45 ARG H . 18841 1
530 . 1 1 45 45 ARG CA C 13 54.131 0.04 . 1 . . 402 . . 45 ARG CA . 18841 1
531 . 1 1 45 45 ARG CB C 13 30.169 0.04 . 1 . . 403 . . 45 ARG CB . 18841 1
532 . 1 1 45 45 ARG N N 15 122.239 0.04 . 1 . . 48 . . 45 ARG N . 18841 1
533 . 1 1 46 46 PRO HA H 1 4.405 0.008 . 1 . . 408 . . 46 PRO HA . 18841 1
534 . 1 1 46 46 PRO HB2 H 1 1.897 0.008 . 2 . . 410 . . 46 PRO HB2 . 18841 1
535 . 1 1 46 46 PRO HB3 H 1 2.278 0.008 . 2 . . 409 . . 46 PRO HB3 . 18841 1
536 . 1 1 46 46 PRO HG2 H 1 2.002 0.008 . 1 . . 703 . . 46 PRO HG2 . 18841 1
537 . 1 1 46 46 PRO HG3 H 1 2.002 0.008 . 1 . . 704 . . 46 PRO HG3 . 18841 1
538 . 1 1 46 46 PRO HD2 H 1 3.772 0.008 . 2 . . 709 . . 46 PRO HD2 . 18841 1
539 . 1 1 46 46 PRO HD3 H 1 3.611 0.008 . 1 . . 708 . . 46 PRO HD3 . 18841 1
540 . 1 1 46 46 PRO C C 13 176.482 0.04 . 1 . . 407 . . 46 PRO C . 18841 1
541 . 1 1 46 46 PRO CA C 13 63.097 0.04 . 1 . . 515 . . 46 PRO CA . 18841 1
542 . 1 1 46 46 PRO CB C 13 32.153 0.04 . 1 . . 514 . . 46 PRO CB . 18841 1
543 . 1 1 46 46 PRO CG C 13 27.417 0.04 . 1 . . 590 . . 46 PRO CG . 18841 1
544 . 1 1 46 46 PRO CD C 13 50.487 0.04 . 1 . . 589 . . 46 PRO CD . 18841 1
545 . 1 1 47 47 ALA H H 1 8.352 0.008 . 1 . . 66 . . 47 ALA H . 18841 1
546 . 1 1 47 47 ALA HA H 1 4.313 0.008 . 1 . . 414 . . 47 ALA HA . 18841 1
547 . 1 1 47 47 ALA HB1 H 1 1.369 0.008 . 1 . . 415 . . 47 ALA HB1 . 18841 1
548 . 1 1 47 47 ALA HB2 H 1 1.369 0.008 . 1 . . 415 . . 47 ALA HB2 . 18841 1
549 . 1 1 47 47 ALA HB3 H 1 1.369 0.008 . 1 . . 415 . . 47 ALA HB3 . 18841 1
550 . 1 1 47 47 ALA C C 13 177.343 0.04 . 1 . . 411 . . 47 ALA C . 18841 1
551 . 1 1 47 47 ALA CA C 13 52.342 0.04 . 1 . . 253 . . 47 ALA CA . 18841 1
552 . 1 1 47 47 ALA CB C 13 19.191 0.04 . 1 . . 252 . . 47 ALA CB . 18841 1
553 . 1 1 47 47 ALA N N 15 124.297 0.04 . 1 . . 67 . . 47 ALA N . 18841 1
554 . 1 1 48 48 ILE H H 1 8.046 0.008 . 1 . . 41 . . 48 ILE H . 18841 1
555 . 1 1 48 48 ILE HA H 1 4.451 0.008 . 1 . . 765 . . 48 ILE HA . 18841 1
556 . 1 1 48 48 ILE HB H 1 1.814 0.008 . 1 . . 760 . . 48 ILE HB . 18841 1
557 . 1 1 48 48 ILE HG12 H 1 1.148 0.008 . 2 . . 762 . . 48 ILE HG12 . 18841 1
558 . 1 1 48 48 ILE HG13 H 1 1.480 0.008 . 2 . . 763 . . 48 ILE HG13 . 18841 1
559 . 1 1 48 48 ILE HG21 H 1 0.909 0.008 . 1 . . 769 . . 48 ILE HG21 . 18841 1
560 . 1 1 48 48 ILE HG22 H 1 0.909 0.008 . 1 . . 769 . . 48 ILE HG22 . 18841 1
561 . 1 1 48 48 ILE HG23 H 1 0.909 0.008 . 1 . . 769 . . 48 ILE HG23 . 18841 1
562 . 1 1 48 48 ILE HD11 H 1 0.839 0.008 . 1 . . 767 . . 48 ILE HD11 . 18841 1
563 . 1 1 48 48 ILE HD12 H 1 0.839 0.008 . 1 . . 767 . . 48 ILE HD12 . 18841 1
564 . 1 1 48 48 ILE HD13 H 1 0.839 0.008 . 1 . . 767 . . 48 ILE HD13 . 18841 1
565 . 1 1 48 48 ILE CA C 13 58.366 0.04 . 1 . . 412 . . 48 ILE CA . 18841 1
566 . 1 1 48 48 ILE CB C 13 38.854 0.04 . 1 . . 413 . . 48 ILE CB . 18841 1
567 . 1 1 48 48 ILE CG1 C 13 26.879 0.04 . 1 . . 761 . . 48 ILE CG1 . 18841 1
568 . 1 1 48 48 ILE CG2 C 13 17.314 0.04 . 1 . . 768 . . 48 ILE CG2 . 18841 1
569 . 1 1 48 48 ILE CD1 C 13 12.863 0.04 . 1 . . 766 . . 48 ILE CD1 . 18841 1
570 . 1 1 48 48 ILE N N 15 121.280 0.04 . 1 . . 42 . . 48 ILE N . 18841 1
571 . 1 1 49 49 PRO HA H 1 4.418 0.008 . 1 . . 417 . . 49 PRO HA . 18841 1
572 . 1 1 49 49 PRO HB2 H 1 1.950 0.008 . 2 . . 419 . . 49 PRO HB2 . 18841 1
573 . 1 1 49 49 PRO HB3 H 1 2.328 0.008 . 2 . . 418 . . 49 PRO HB3 . 18841 1
574 . 1 1 49 49 PRO HG2 H 1 2.056 0.008 . 2 . . 782 . . 49 PRO HG2 . 18841 1
575 . 1 1 49 49 PRO HG3 H 1 1.997 0.008 . 2 . . 710 . . 49 PRO HG3 . 18841 1
576 . 1 1 49 49 PRO HD2 H 1 3.651 0.008 . 2 . . 781 . . 49 PRO HD2 . 18841 1
577 . 1 1 49 49 PRO HD3 H 1 3.877 0.008 . 2 . . 711 . . 49 PRO HD3 . 18841 1
578 . 1 1 49 49 PRO C C 13 177.202 0.04 . 1 . . 416 . . 49 PRO C . 18841 1
579 . 1 1 49 49 PRO CA C 13 63.190 0.04 . 1 . . 517 . . 49 PRO CA . 18841 1
580 . 1 1 49 49 PRO CB C 13 32.360 0.04 . 1 . . 516 . . 49 PRO CB . 18841 1
581 . 1 1 49 49 PRO CG C 13 27.642 0.04 . 1 . . 591 . . 49 PRO CG . 18841 1
582 . 1 1 49 49 PRO CD C 13 51.102 0.04 . 1 . . 592 . . 49 PRO CD . 18841 1
583 . 1 1 50 50 HIS H H 1 8.661 0.008 . 1 . . 72 . . 50 HIS H . 18841 1
584 . 1 1 50 50 HIS HA H 1 4.504 0.008 . 1 . . 421 . . 50 HIS HA . 18841 1
585 . 1 1 50 50 HIS HB2 H 1 3.210 0.008 . 1 . . 422 . . 50 HIS HB2 . 18841 1
586 . 1 1 50 50 HIS HB3 H 1 3.210 0.008 . 1 . . 518 . . 50 HIS HB3 . 18841 1
587 . 1 1 50 50 HIS HD2 H 1 7.209 0.008 . 1 . . 543 . . 50 HIS HD2 . 18841 1
588 . 1 1 50 50 HIS HE1 H 1 8.209 0.008 . 1 . . 545 . . 50 HIS HE1 . 18841 1
589 . 1 1 50 50 HIS C C 13 175.463 0.04 . 1 . . 420 . . 50 HIS C . 18841 1
590 . 1 1 50 50 HIS CA C 13 57.487 0.04 . 1 . . 231 . . 50 HIS CA . 18841 1
591 . 1 1 50 50 HIS CB C 13 29.932 0.04 . 1 . . 230 . . 50 HIS CB . 18841 1
592 . 1 1 50 50 HIS CD2 C 13 120.151 0.04 . 1 . . 638 . . 50 HIS CD2 . 18841 1
593 . 1 1 50 50 HIS CE1 C 13 137.537 0.04 . 1 . . 544 . . 50 HIS CE1 . 18841 1
594 . 1 1 50 50 HIS N N 15 120.377 0.04 . 1 . . 73 . . 50 HIS N . 18841 1
595 . 1 1 51 51 ASP H H 1 8.447 0.008 . 1 . . 70 . . 51 ASP H . 18841 1
596 . 1 1 51 51 ASP HA H 1 4.522 0.008 . 1 . . 424 . . 51 ASP HA . 18841 1
597 . 1 1 51 51 ASP HB2 H 1 2.705 0.008 . 1 . . 425 . . 51 ASP HB2 . 18841 1
598 . 1 1 51 51 ASP HB3 H 1 2.705 0.008 . 1 . . 519 . . 51 ASP HB3 . 18841 1
599 . 1 1 51 51 ASP C C 13 176.950 0.04 . 1 . . 423 . . 51 ASP C . 18841 1
600 . 1 1 51 51 ASP CA C 13 54.980 0.04 . 1 . . 229 . . 51 ASP CA . 18841 1
601 . 1 1 51 51 ASP CB C 13 40.931 0.04 . 1 . . 228 . . 51 ASP CB . 18841 1
602 . 1 1 51 51 ASP N N 15 119.398 0.04 . 1 . . 71 . . 51 ASP N . 18841 1
603 . 1 1 52 52 GLU H H 1 8.194 0.008 . 1 . . 37 . . 52 GLU H . 18841 1
604 . 1 1 52 52 GLU HA H 1 4.230 0.008 . 1 . . 427 . . 52 GLU HA . 18841 1
605 . 1 1 52 52 GLU HB2 H 1 2.063 0.008 . 1 . . 520 . . 52 GLU HB2 . 18841 1
606 . 1 1 52 52 GLU HB3 H 1 2.063 0.008 . 1 . . 428 . . 52 GLU HB3 . 18841 1
607 . 1 1 52 52 GLU HG2 H 1 2.292 0.008 . 1 . . 712 . . 52 GLU HG2 . 18841 1
608 . 1 1 52 52 GLU HG3 H 1 2.292 0.008 . 1 . . 713 . . 52 GLU HG3 . 18841 1
609 . 1 1 52 52 GLU C C 13 177.645 0.04 . 1 . . 426 . . 52 GLU C . 18841 1
610 . 1 1 52 52 GLU CA C 13 58.012 0.04 . 1 . . 498 . . 52 GLU CA . 18841 1
611 . 1 1 52 52 GLU CB C 13 29.814 0.04 . 1 . . 497 . . 52 GLU CB . 18841 1
612 . 1 1 52 52 GLU CG C 13 35.976 0.04 . 1 . . 593 . . 52 GLU CG . 18841 1
613 . 1 1 52 52 GLU N N 15 121.363 0.04 . 1 . . 38 . . 52 GLU N . 18841 1
614 . 1 1 53 53 VAL H H 1 7.897 0.008 . 1 . . 85 . . 53 VAL H . 18841 1
615 . 1 1 53 53 VAL HA H 1 3.700 0.008 . 1 . . 429 . . 53 VAL HA . 18841 1
616 . 1 1 53 53 VAL HB H 1 2.146 0.008 . 1 . . 430 . . 53 VAL HB . 18841 1
617 . 1 1 53 53 VAL HG11 H 1 0.998 0.008 . 2 . . 776 . . 53 VAL HG11 . 18841 1
618 . 1 1 53 53 VAL HG12 H 1 0.998 0.008 . 2 . . 776 . . 53 VAL HG12 . 18841 1
619 . 1 1 53 53 VAL HG13 H 1 0.998 0.008 . 2 . . 776 . . 53 VAL HG13 . 18841 1
620 . 1 1 53 53 VAL HG21 H 1 0.935 0.008 . 2 . . 777 . . 53 VAL HG21 . 18841 1
621 . 1 1 53 53 VAL HG22 H 1 0.935 0.008 . 2 . . 777 . . 53 VAL HG22 . 18841 1
622 . 1 1 53 53 VAL HG23 H 1 0.935 0.008 . 2 . . 777 . . 53 VAL HG23 . 18841 1
623 . 1 1 53 53 VAL C C 13 176.307 0.04 . 1 . . 499 . . 53 VAL C . 18841 1
624 . 1 1 53 53 VAL CA C 13 65.527 0.04 . 1 . . 226 . . 53 VAL CA . 18841 1
625 . 1 1 53 53 VAL CB C 13 31.928 0.04 . 1 . . 227 . . 53 VAL CB . 18841 1
626 . 1 1 53 53 VAL CG1 C 13 22.197 0.04 . 2 . . 594 . . 53 VAL CG1 . 18841 1
627 . 1 1 53 53 VAL CG2 C 13 21.203 0.04 . 2 . . 595 . . 53 VAL CG2 . 18841 1
628 . 1 1 53 53 VAL N N 15 120.818 0.04 . 1 . . 86 . . 53 VAL N . 18841 1
629 . 1 1 54 54 GLU H H 1 8.264 0.008 . 1 . . 101 . . 54 GLU H . 18841 1
630 . 1 1 54 54 GLU HA H 1 4.054 0.008 . 1 . . 432 . . 54 GLU HA . 18841 1
631 . 1 1 54 54 GLU HB2 H 1 2.052 0.008 . 1 . . 433 . . 54 GLU HB2 . 18841 1
632 . 1 1 54 54 GLU HB3 H 1 2.052 0.008 . 1 . . 521 . . 54 GLU HB3 . 18841 1
633 . 1 1 54 54 GLU HG2 H 1 2.259 0.008 . 1 . . 715 . . 54 GLU HG2 . 18841 1
634 . 1 1 54 54 GLU HG3 H 1 2.259 0.008 . 1 . . 714 . . 54 GLU HG3 . 18841 1
635 . 1 1 54 54 GLU C C 13 178.579 0.04 . 1 . . 431 . . 54 GLU C . 18841 1
636 . 1 1 54 54 GLU CA C 13 58.850 0.04 . 1 . . 225 . . 54 GLU CA . 18841 1
637 . 1 1 54 54 GLU CB C 13 29.656 0.04 . 1 . . 224 . . 54 GLU CB . 18841 1
638 . 1 1 54 54 GLU CG C 13 36.535 0.04 . 1 . . 596 . . 54 GLU CG . 18841 1
639 . 1 1 54 54 GLU N N 15 120.842 0.04 . 1 . . 102 . . 54 GLU N . 18841 1
640 . 1 1 55 55 ARG H H 1 8.142 0.008 . 1 . . 60 . . 55 ARG H . 18841 1
641 . 1 1 55 55 ARG HA H 1 4.133 0.008 . 1 . . 435 . . 55 ARG HA . 18841 1
642 . 1 1 55 55 ARG HB2 H 1 1.889 0.008 . 1 . . 436 . . 55 ARG HB2 . 18841 1
643 . 1 1 55 55 ARG HB3 H 1 1.889 0.008 . 1 . . 522 . . 55 ARG HB3 . 18841 1
644 . 1 1 55 55 ARG HG2 H 1 1.595 0.008 . 2 . . 718 . . 55 ARG HG2 . 18841 1
645 . 1 1 55 55 ARG HG3 H 1 1.725 0.008 . 2 . . 797 . . 55 ARG HG3 . 18841 1
646 . 1 1 55 55 ARG HD2 H 1 3.212 0.008 . 1 . . 716 . . 55 ARG HD2 . 18841 1
647 . 1 1 55 55 ARG HD3 H 1 3.212 0.008 . 1 . . 717 . . 55 ARG HD3 . 18841 1
648 . 1 1 55 55 ARG C C 13 178.259 0.04 . 1 . . 434 . . 55 ARG C . 18841 1
649 . 1 1 55 55 ARG CA C 13 58.716 0.04 . 1 . . 222 . . 55 ARG CA . 18841 1
650 . 1 1 55 55 ARG CB C 13 30.318 0.04 . 1 . . 223 . . 55 ARG CB . 18841 1
651 . 1 1 55 55 ARG CG C 13 27.503 0.04 . 1 . . 597 . . 55 ARG CG . 18841 1
652 . 1 1 55 55 ARG CD C 13 43.328 0.04 . 1 . . 600 . . 55 ARG CD . 18841 1
653 . 1 1 55 55 ARG N N 15 120.837 0.04 . 1 . . 61 . . 55 ARG N . 18841 1
654 . 1 1 56 56 ARG H H 1 8.225 0.008 . 1 . . 39 . . 56 ARG H . 18841 1
655 . 1 1 56 56 ARG HA H 1 4.161 0.008 . 1 . . 438 . . 56 ARG HA . 18841 1
656 . 1 1 56 56 ARG HB2 H 1 1.906 0.008 . 1 . . 523 . . 56 ARG HB2 . 18841 1
657 . 1 1 56 56 ARG HB3 H 1 1.906 0.008 . 1 . . 439 . . 56 ARG HB3 . 18841 1
658 . 1 1 56 56 ARG HG2 H 1 1.785 0.008 . 2 . . 721 . . 56 ARG HG2 . 18841 1
659 . 1 1 56 56 ARG HG3 H 1 1.672 0.008 . 2 . . 798 . . 56 ARG HG3 . 18841 1
660 . 1 1 56 56 ARG HD2 H 1 3.208 0.008 . 1 . . 720 . . 56 ARG HD2 . 18841 1
661 . 1 1 56 56 ARG HD3 H 1 3.208 0.008 . 1 . . 719 . . 56 ARG HD3 . 18841 1
662 . 1 1 56 56 ARG C C 13 178.844 0.04 . 1 . . 437 . . 56 ARG C . 18841 1
663 . 1 1 56 56 ARG CA C 13 58.434 0.04 . 1 . . 221 . . 56 ARG CA . 18841 1
664 . 1 1 56 56 ARG CB C 13 30.237 0.04 . 1 . . 220 . . 56 ARG CB . 18841 1
665 . 1 1 56 56 ARG CG C 13 27.570 0.04 . 1 . . 599 . . 56 ARG CG . 18841 1
666 . 1 1 56 56 ARG CD C 13 43.518 0.04 . 1 . . 598 . . 56 ARG CD . 18841 1
667 . 1 1 56 56 ARG N N 15 119.633 0.04 . 1 . . 40 . . 56 ARG N . 18841 1
668 . 1 1 57 57 MET H H 1 8.241 0.008 . 1 . . 21 . . 57 MET H . 18841 1
669 . 1 1 57 57 MET HA H 1 4.227 0.008 . 1 . . 441 . . 57 MET HA . 18841 1
670 . 1 1 57 57 MET HB2 H 1 2.107 0.008 . 2 . . 442 . . 57 MET HB2 . 18841 1
671 . 1 1 57 57 MET HB3 H 1 2.014 0.008 . 2 . . 443 . . 57 MET HB3 . 18841 1
672 . 1 1 57 57 MET HG2 H 1 2.624 0.008 . 2 . . 778 . . 57 MET HG2 . 18841 1
673 . 1 1 57 57 MET HG3 H 1 2.538 0.008 . 2 . . 780 . . 57 MET HG3 . 18841 1
674 . 1 1 57 57 MET HE1 H 1 2.047 0.008 . 1 . . 799 . . 57 MET HE1 . 18841 1
675 . 1 1 57 57 MET HE2 H 1 2.047 0.008 . 1 . . 799 . . 57 MET HE2 . 18841 1
676 . 1 1 57 57 MET HE3 H 1 2.047 0.008 . 1 . . 799 . . 57 MET HE3 . 18841 1
677 . 1 1 57 57 MET C C 13 177.455 0.04 . 1 . . 440 . . 57 MET C . 18841 1
678 . 1 1 57 57 MET CA C 13 57.551 0.04 . 1 . . 219 . . 57 MET CA . 18841 1
679 . 1 1 57 57 MET CB C 13 32.234 0.04 . 1 . . 218 . . 57 MET CB . 18841 1
680 . 1 1 57 57 MET CG C 13 32.246 0.04 . 1 . . 779 . . 57 MET CG . 18841 1
681 . 1 1 57 57 MET CE C 13 17.072 0.04 . 1 . . 800 . . 57 MET CE . 18841 1
682 . 1 1 57 57 MET N N 15 119.782 0.04 . 1 . . 22 . . 57 MET N . 18841 1
683 . 1 1 58 58 ALA H H 1 8.141 0.008 . 1 . . 93 . . 58 ALA H . 18841 1
684 . 1 1 58 58 ALA HA H 1 4.204 0.008 . 1 . . 445 . . 58 ALA HA . 18841 1
685 . 1 1 58 58 ALA HB1 H 1 1.531 0.008 . 1 . . 446 . . 58 ALA HB1 . 18841 1
686 . 1 1 58 58 ALA HB2 H 1 1.531 0.008 . 1 . . 446 . . 58 ALA HB2 . 18841 1
687 . 1 1 58 58 ALA HB3 H 1 1.531 0.008 . 1 . . 446 . . 58 ALA HB3 . 18841 1
688 . 1 1 58 58 ALA C C 13 180.123 0.04 . 1 . . 444 . . 58 ALA C . 18841 1
689 . 1 1 58 58 ALA CA C 13 54.662 0.04 . 1 . . 216 . . 58 ALA CA . 18841 1
690 . 1 1 58 58 ALA CB C 13 18.391 0.04 . 1 . . 217 . . 58 ALA CB . 18841 1
691 . 1 1 58 58 ALA N N 15 122.698 0.04 . 1 . . 94 . . 58 ALA N . 18841 1
692 . 1 1 59 59 GLU H H 1 8.157 0.008 . 1 . . 29 . . 59 GLU H . 18841 1
693 . 1 1 59 59 GLU HA H 1 4.152 0.008 . 1 . . 448 . . 59 GLU HA . 18841 1
694 . 1 1 59 59 GLU HB2 H 1 2.095 0.008 . 1 . . 449 . . 59 GLU HB2 . 18841 1
695 . 1 1 59 59 GLU HB3 H 1 2.095 0.008 . 1 . . 524 . . 59 GLU HB3 . 18841 1
696 . 1 1 59 59 GLU HG2 H 1 2.419 0.008 . 2 . . 796 . . 59 GLU HG2 . 18841 1
697 . 1 1 59 59 GLU HG3 H 1 2.275 0.008 . 2 . . 722 . . 59 GLU HG3 . 18841 1
698 . 1 1 59 59 GLU C C 13 178.258 0.04 . 1 . . 447 . . 59 GLU C . 18841 1
699 . 1 1 59 59 GLU CA C 13 58.503 0.04 . 1 . . 215 . . 59 GLU CA . 18841 1
700 . 1 1 59 59 GLU CB C 13 29.779 0.04 . 1 . . 214 . . 59 GLU CB . 18841 1
701 . 1 1 59 59 GLU CG C 13 36.503 0.04 . 1 . . 601 . . 59 GLU CG . 18841 1
702 . 1 1 59 59 GLU N N 15 119.113 0.04 . 1 . . 30 . . 59 GLU N . 18841 1
703 . 1 1 60 60 ARG H H 1 7.932 0.008 . 1 . . 132 . . 60 ARG H . 18841 1
704 . 1 1 60 60 ARG HA H 1 4.102 0.008 . 1 . . 451 . . 60 ARG HA . 18841 1
705 . 1 1 60 60 ARG HB2 H 1 1.810 0.008 . 1 . . 525 . . 60 ARG HB2 . 18841 1
706 . 1 1 60 60 ARG HB3 H 1 1.810 0.008 . 1 . . 452 . . 60 ARG HB3 . 18841 1
707 . 1 1 60 60 ARG HG2 H 1 1.591 0.008 . 2 . . 723 . . 60 ARG HG2 . 18841 1
708 . 1 1 60 60 ARG HG3 H 1 1.465 0.008 . 2 . . 815 . . 60 ARG HG3 . 18841 1
709 . 1 1 60 60 ARG HD2 H 1 3.101 0.008 . 1 . . 724 . . 60 ARG HD2 . 18841 1
710 . 1 1 60 60 ARG HD3 H 1 3.101 0.008 . 1 . . 725 . . 60 ARG HD3 . 18841 1
711 . 1 1 60 60 ARG C C 13 178.066 0.04 . 1 . . 450 . . 60 ARG C . 18841 1
712 . 1 1 60 60 ARG CA C 13 58.437 0.04 . 1 . . 213 . . 60 ARG CA . 18841 1
713 . 1 1 60 60 ARG CB C 13 30.082 0.04 . 1 . . 212 . . 60 ARG CB . 18841 1
714 . 1 1 60 60 ARG CG C 13 27.170 0.04 . 1 . . 603 . . 60 ARG CG . 18841 1
715 . 1 1 60 60 ARG CD C 13 43.533 0.04 . 1 . . 602 . . 60 ARG CD . 18841 1
716 . 1 1 60 60 ARG N N 15 120.300 0.04 . 1 . . 133 . . 60 ARG N . 18841 1
717 . 1 1 61 61 PHE H H 1 8.192 0.008 . 1 . . 140 . . 61 PHE H . 18841 1
718 . 1 1 61 61 PHE HA H 1 4.504 0.008 . 1 . . 454 . . 61 PHE HA . 18841 1
719 . 1 1 61 61 PHE HB2 H 1 3.205 0.008 . 2 . . 455 . . 61 PHE HB2 . 18841 1
720 . 1 1 61 61 PHE HB3 H 1 3.066 0.008 . 2 . . 456 . . 61 PHE HB3 . 18841 1
721 . 1 1 61 61 PHE HD1 H 1 7.261 0.008 . 3 . . 540 . . 61 PHE HD1 . 18841 1
722 . 1 1 61 61 PHE HD2 H 1 7.261 0.008 . 3 . . 540 . . 61 PHE HD2 . 18841 1
723 . 1 1 61 61 PHE HE1 H 1 7.314 0.008 . 3 . . 541 . . 61 PHE HE1 . 18841 1
724 . 1 1 61 61 PHE HE2 H 1 7.314 0.008 . 3 . . 541 . . 61 PHE HE2 . 18841 1
725 . 1 1 61 61 PHE HZ H 1 7.270 0.008 . 1 . . 641 . . 61 PHE HZ . 18841 1
726 . 1 1 61 61 PHE C C 13 177.154 0.04 . 1 . . 453 . . 61 PHE C . 18841 1
727 . 1 1 61 61 PHE CA C 13 59.349 0.04 . 1 . . 211 . . 61 PHE CA . 18841 1
728 . 1 1 61 61 PHE CB C 13 38.790 0.04 . 1 . . 210 . . 61 PHE CB . 18841 1
729 . 1 1 61 61 PHE CD1 C 13 131.672 0.04 . 3 . . 630 . . 61 PHE CD1 . 18841 1
730 . 1 1 61 61 PHE CD2 C 13 131.672 0.04 . 3 . . 630 . . 61 PHE CD2 . 18841 1
731 . 1 1 61 61 PHE CE1 C 13 131.524 0.04 . 3 . . 546 . . 61 PHE CE1 . 18841 1
732 . 1 1 61 61 PHE CE2 C 13 131.524 0.04 . 3 . . 546 . . 61 PHE CE2 . 18841 1
733 . 1 1 61 61 PHE CZ C 13 129.808 0.04 . 1 . . 642 . . 61 PHE CZ . 18841 1
734 . 1 1 61 61 PHE N N 15 119.177 0.04 . 1 . . 141 . . 61 PHE N . 18841 1
735 . 1 1 62 62 ALA H H 1 8.069 0.008 . 1 . . 106 . . 62 ALA H . 18841 1
736 . 1 1 62 62 ALA HA H 1 4.183 0.008 . 1 . . 458 . . 62 ALA HA . 18841 1
737 . 1 1 62 62 ALA HB1 H 1 1.522 0.008 . 1 . . 459 . . 62 ALA HB1 . 18841 1
738 . 1 1 62 62 ALA HB2 H 1 1.522 0.008 . 1 . . 459 . . 62 ALA HB2 . 18841 1
739 . 1 1 62 62 ALA HB3 H 1 1.522 0.008 . 1 . . 459 . . 62 ALA HB3 . 18841 1
740 . 1 1 62 62 ALA C C 13 179.324 0.04 . 1 . . 457 . . 62 ALA C . 18841 1
741 . 1 1 62 62 ALA CA C 13 54.345 0.04 . 1 . . 209 . . 62 ALA CA . 18841 1
742 . 1 1 62 62 ALA CB C 13 18.680 0.04 . 1 . . 208 . . 62 ALA CB . 18841 1
743 . 1 1 62 62 ALA N N 15 122.604 0.04 . 1 . . 107 . . 62 ALA N . 18841 1
744 . 1 1 63 63 LYS H H 1 7.971 0.008 . 1 . . 97 . . 63 LYS H . 18841 1
745 . 1 1 63 63 LYS HA H 1 4.181 0.008 . 1 . . 461 . . 63 LYS HA . 18841 1
746 . 1 1 63 63 LYS HB2 H 1 1.909 0.008 . 1 . . 526 . . 63 LYS HB2 . 18841 1
747 . 1 1 63 63 LYS HB3 H 1 1.909 0.008 . 1 . . 462 . . 63 LYS HB3 . 18841 1
748 . 1 1 63 63 LYS HG2 H 1 1.551 0.008 . 2 . . 786 . . 63 LYS HG2 . 18841 1
749 . 1 1 63 63 LYS HG3 H 1 1.450 0.008 . 2 . . 728 . . 63 LYS HG3 . 18841 1
750 . 1 1 63 63 LYS HD2 H 1 1.706 0.008 . 1 . . 727 . . 63 LYS HD2 . 18841 1
751 . 1 1 63 63 LYS HD3 H 1 1.706 0.008 . 1 . . 726 . . 63 LYS HD3 . 18841 1
752 . 1 1 63 63 LYS HE2 H 1 3.006 0.008 . 1 . . 730 . . 63 LYS HE2 . 18841 1
753 . 1 1 63 63 LYS HE3 H 1 3.006 0.008 . 1 . . 729 . . 63 LYS HE3 . 18841 1
754 . 1 1 63 63 LYS C C 13 177.769 0.04 . 1 . . 460 . . 63 LYS C . 18841 1
755 . 1 1 63 63 LYS CA C 13 57.916 0.04 . 1 . . 206 . . 63 LYS CA . 18841 1
756 . 1 1 63 63 LYS CB C 13 32.748 0.04 . 1 . . 207 . . 63 LYS CB . 18841 1
757 . 1 1 63 63 LYS CG C 13 25.168 0.04 . 1 . . 606 . . 63 LYS CG . 18841 1
758 . 1 1 63 63 LYS CD C 13 29.313 0.04 . 1 . . 605 . . 63 LYS CD . 18841 1
759 . 1 1 63 63 LYS CE C 13 42.217 0.04 . 1 . . 604 . . 63 LYS CE . 18841 1
760 . 1 1 63 63 LYS N N 15 118.654 0.04 . 1 . . 98 . . 63 LYS N . 18841 1
761 . 1 1 64 64 MET H H 1 8.014 0.008 . 1 . . 27 . . 64 MET H . 18841 1
762 . 1 1 64 64 MET HA H 1 4.317 0.008 . 1 . . 464 . . 64 MET HA . 18841 1
763 . 1 1 64 64 MET HB2 H 1 2.117 0.008 . 1 . . 527 . . 64 MET HB2 . 18841 1
764 . 1 1 64 64 MET HB3 H 1 2.117 0.008 . 1 . . 465 . . 64 MET HB3 . 18841 1
765 . 1 1 64 64 MET HG2 H 1 2.567 0.008 . 2 . . 731 . . 64 MET HG2 . 18841 1
766 . 1 1 64 64 MET HG3 H 1 2.675 0.008 . 2 . . 759 . . 64 MET HG3 . 18841 1
767 . 1 1 64 64 MET C C 13 177.135 0.04 . 1 . . 463 . . 64 MET C . 18841 1
768 . 1 1 64 64 MET CA C 13 56.978 0.04 . 1 . . 204 . . 64 MET CA . 18841 1
769 . 1 1 64 64 MET CB C 13 32.882 0.04 . 1 . . 205 . . 64 MET CB . 18841 1
770 . 1 1 64 64 MET CG C 13 32.090 0.04 . 1 . . 607 . . 64 MET CG . 18841 1
771 . 1 1 64 64 MET N N 15 119.273 0.04 . 1 . . 28 . . 64 MET N . 18841 1
772 . 1 1 65 65 ARG H H 1 8.079 0.008 . 1 . . 23 . . 65 ARG H . 18841 1
773 . 1 1 65 65 ARG HA H 1 4.194 0.008 . 1 . . 467 . . 65 ARG HA . 18841 1
774 . 1 1 65 65 ARG HB2 H 1 1.832 0.008 . 1 . . 468 . . 65 ARG HB2 . 18841 1
775 . 1 1 65 65 ARG HB3 H 1 1.832 0.008 . 1 . . 528 . . 65 ARG HB3 . 18841 1
776 . 1 1 65 65 ARG HG2 H 1 1.570 0.008 . 1 . . 734 . . 65 ARG HG2 . 18841 1
777 . 1 1 65 65 ARG HG3 H 1 1.570 0.008 . 1 . . 735 . . 65 ARG HG3 . 18841 1
778 . 1 1 65 65 ARG HD2 H 1 3.162 0.008 . 1 . . 733 . . 65 ARG HD2 . 18841 1
779 . 1 1 65 65 ARG HD3 H 1 3.162 0.008 . 1 . . 732 . . 65 ARG HD3 . 18841 1
780 . 1 1 65 65 ARG C C 13 177.153 0.04 . 1 . . 466 . . 65 ARG C . 18841 1
781 . 1 1 65 65 ARG CA C 13 57.310 0.04 . 1 . . 203 . . 65 ARG CA . 18841 1
782 . 1 1 65 65 ARG CB C 13 30.476 0.04 . 1 . . 202 . . 65 ARG CB . 18841 1
783 . 1 1 65 65 ARG CG C 13 27.292 0.04 . 1 . . 609 . . 65 ARG CG . 18841 1
784 . 1 1 65 65 ARG CD C 13 43.459 0.04 . 1 . . 608 . . 65 ARG CD . 18841 1
785 . 1 1 65 65 ARG N N 15 120.566 0.04 . 1 . . 24 . . 65 ARG N . 18841 1
786 . 1 1 66 66 LYS H H 1 8.093 0.008 . 1 . . 49 . . 66 LYS H . 18841 1
787 . 1 1 66 66 LYS HA H 1 4.247 0.008 . 1 . . 470 . . 66 LYS HA . 18841 1
788 . 1 1 66 66 LYS HB2 H 1 1.871 0.008 . 1 . . 529 . . 66 LYS HB2 . 18841 1
789 . 1 1 66 66 LYS HB3 H 1 1.871 0.008 . 1 . . 471 . . 66 LYS HB3 . 18841 1
790 . 1 1 66 66 LYS HG2 H 1 1.447 0.008 . 1 . . 741 . . 66 LYS HG2 . 18841 1
791 . 1 1 66 66 LYS HG3 H 1 1.447 0.008 . 1 . . 740 . . 66 LYS HG3 . 18841 1
792 . 1 1 66 66 LYS HD2 H 1 1.703 0.008 . 1 . . 739 . . 66 LYS HD2 . 18841 1
793 . 1 1 66 66 LYS HD3 H 1 1.703 0.008 . 1 . . 738 . . 66 LYS HD3 . 18841 1
794 . 1 1 66 66 LYS HE2 H 1 3.006 0.008 . 1 . . 736 . . 66 LYS HE2 . 18841 1
795 . 1 1 66 66 LYS HE3 H 1 3.006 0.008 . 1 . . 737 . . 66 LYS HE3 . 18841 1
796 . 1 1 66 66 LYS C C 13 177.318 0.04 . 1 . . 469 . . 66 LYS C . 18841 1
797 . 1 1 66 66 LYS CA C 13 57.213 0.04 . 1 . . 201 . . 66 LYS CA . 18841 1
798 . 1 1 66 66 LYS CB C 13 32.913 0.04 . 1 . . 200 . . 66 LYS CB . 18841 1
799 . 1 1 66 66 LYS CG C 13 24.922 0.04 . 1 . . 611 . . 66 LYS CG . 18841 1
800 . 1 1 66 66 LYS CD C 13 29.181 0.04 . 1 . . 610 . . 66 LYS CD . 18841 1
801 . 1 1 66 66 LYS CE C 13 42.211 0.04 . 1 . . 742 . . 66 LYS CE . 18841 1
802 . 1 1 66 66 LYS N N 15 121.523 0.04 . 1 . . 50 . . 66 LYS N . 18841 1
803 . 1 1 67 67 GLU H H 1 8.289 0.008 . 1 . . 64 . . 67 GLU H . 18841 1
804 . 1 1 67 67 GLU HA H 1 4.253 0.008 . 1 . . 473 . . 67 GLU HA . 18841 1
805 . 1 1 67 67 GLU HB2 H 1 2.075 0.008 . 2 . . 474 . . 67 GLU HB2 . 18841 1
806 . 1 1 67 67 GLU HB3 H 1 2.011 0.008 . 2 . . 475 . . 67 GLU HB3 . 18841 1
807 . 1 1 67 67 GLU HG2 H 1 2.293 0.008 . 1 . . 743 . . 67 GLU HG2 . 18841 1
808 . 1 1 67 67 GLU HG3 H 1 2.293 0.008 . 1 . . 744 . . 67 GLU HG3 . 18841 1
809 . 1 1 67 67 GLU C C 13 177.003 0.04 . 1 . . 472 . . 67 GLU C . 18841 1
810 . 1 1 67 67 GLU CA C 13 57.110 0.04 . 1 . . 198 . . 67 GLU CA . 18841 1
811 . 1 1 67 67 GLU CB C 13 30.141 0.04 . 1 . . 199 . . 67 GLU CB . 18841 1
812 . 1 1 67 67 GLU CG C 13 36.309 0.04 . 1 . . 612 . . 67 GLU CG . 18841 1
813 . 1 1 67 67 GLU N N 15 121.026 0.04 . 1 . . 65 . . 67 GLU N . 18841 1
814 . 1 1 68 68 ARG H H 1 8.229 0.008 . 1 . . 19 . . 68 ARG H . 18841 1
815 . 1 1 68 68 ARG HA H 1 4.340 0.008 . 1 . . 477 . . 68 ARG HA . 18841 1
816 . 1 1 68 68 ARG HB2 H 1 1.828 0.008 . 2 . . 479 . . 68 ARG HB2 . 18841 1
817 . 1 1 68 68 ARG HB3 H 1 1.927 0.008 . 2 . . 478 . . 68 ARG HB3 . 18841 1
818 . 1 1 68 68 ARG HG2 H 1 1.619 0.008 . 1 . . 748 . . 68 ARG HG2 . 18841 1
819 . 1 1 68 68 ARG HG3 H 1 1.619 0.008 . 1 . . 747 . . 68 ARG HG3 . 18841 1
820 . 1 1 68 68 ARG HD2 H 1 3.204 0.008 . 1 . . 745 . . 68 ARG HD2 . 18841 1
821 . 1 1 68 68 ARG HD3 H 1 3.204 0.008 . 1 . . 746 . . 68 ARG HD3 . 18841 1
822 . 1 1 68 68 ARG C C 13 176.625 0.04 . 1 . . 476 . . 68 ARG C . 18841 1
823 . 1 1 68 68 ARG CA C 13 56.580 0.04 . 1 . . 196 . . 68 ARG CA . 18841 1
824 . 1 1 68 68 ARG CB C 13 30.695 0.04 . 1 . . 197 . . 68 ARG CB . 18841 1
825 . 1 1 68 68 ARG CG C 13 27.228 0.04 . 1 . . 614 . . 68 ARG CG . 18841 1
826 . 1 1 68 68 ARG CD C 13 43.470 0.04 . 1 . . 613 . . 68 ARG CD . 18841 1
827 . 1 1 68 68 ARG N N 15 121.090 0.04 . 1 . . 20 . . 68 ARG N . 18841 1
828 . 1 1 69 69 SER H H 1 8.233 0.008 . 1 . . 126 . . 69 SER H . 18841 1
829 . 1 1 69 69 SER HA H 1 4.447 0.008 . 1 . . 481 . . 69 SER HA . 18841 1
830 . 1 1 69 69 SER HB2 H 1 3.929 0.008 . 1 . . 530 . . 69 SER HB2 . 18841 1
831 . 1 1 69 69 SER HB3 H 1 3.929 0.008 . 1 . . 482 . . 69 SER HB3 . 18841 1
832 . 1 1 69 69 SER C C 13 174.411 0.04 . 1 . . 480 . . 69 SER C . 18841 1
833 . 1 1 69 69 SER CA C 13 58.750 0.04 . 1 . . 238 . . 69 SER CA . 18841 1
834 . 1 1 69 69 SER CB C 13 63.868 0.04 . 1 . . 239 . . 69 SER CB . 18841 1
835 . 1 1 69 69 SER N N 15 116.524 0.04 . 1 . . 127 . . 69 SER N . 18841 1
836 . 1 1 70 70 LYS H H 1 8.230 0.008 . 1 . . 90 . . 70 LYS H . 18841 1
837 . 1 1 70 70 LYS HA H 1 4.368 0.008 . 1 . . 486 . . 70 LYS HA . 18841 1
838 . 1 1 70 70 LYS HB2 H 1 1.793 0.008 . 2 . . 488 . . 70 LYS HB2 . 18841 1
839 . 1 1 70 70 LYS HB3 H 1 1.915 0.008 . 2 . . 487 . . 70 LYS HB3 . 18841 1
840 . 1 1 70 70 LYS HG2 H 1 1.485 0.008 . 1 . . 754 . . 70 LYS HG2 . 18841 1
841 . 1 1 70 70 LYS HG3 H 1 1.485 0.008 . 1 . . 753 . . 70 LYS HG3 . 18841 1
842 . 1 1 70 70 LYS HD2 H 1 1.708 0.008 . 1 . . 751 . . 70 LYS HD2 . 18841 1
843 . 1 1 70 70 LYS HD3 H 1 1.708 0.008 . 1 . . 752 . . 70 LYS HD3 . 18841 1
844 . 1 1 70 70 LYS HE2 H 1 3.022 0.008 . 1 . . 750 . . 70 LYS HE2 . 18841 1
845 . 1 1 70 70 LYS HE3 H 1 3.022 0.008 . 1 . . 749 . . 70 LYS HE3 . 18841 1
846 . 1 1 70 70 LYS C C 13 175.706 0.04 . 1 . . 483 . . 70 LYS C . 18841 1
847 . 1 1 70 70 LYS CA C 13 56.512 0.04 . 1 . . 240 . . 70 LYS CA . 18841 1
848 . 1 1 70 70 LYS CB C 13 33.009 0.04 . 1 . . 241 . . 70 LYS CB . 18841 1
849 . 1 1 70 70 LYS CG C 13 24.722 0.04 . 1 . . 617 . . 70 LYS CG . 18841 1
850 . 1 1 70 70 LYS CD C 13 29.116 0.04 . 1 . . 616 . . 70 LYS CD . 18841 1
851 . 1 1 70 70 LYS CE C 13 42.250 0.04 . 1 . . 615 . . 70 LYS CE . 18841 1
852 . 1 1 70 70 LYS N N 15 123.399 0.04 . 1 . . 91 . . 70 LYS N . 18841 1
853 . 1 1 71 71 GLN H H 1 7.978 0.008 . 1 . . 5 . . 71 GLN H . 18841 1
854 . 1 1 71 71 GLN HA H 1 4.164 0.008 . 1 . . 787 . . 71 GLN HA . 18841 1
855 . 1 1 71 71 GLN HB2 H 1 1.940 0.008 . 2 . . 623 . . 71 GLN HB2 . 18841 1
856 . 1 1 71 71 GLN HB3 H 1 2.119 0.008 . 2 . . 622 . . 71 GLN HB3 . 18841 1
857 . 1 1 71 71 GLN HG2 H 1 2.326 0.008 . 1 . . 621 . . 71 GLN HG2 . 18841 1
858 . 1 1 71 71 GLN HG3 H 1 2.326 0.008 . 1 . . 620 . . 71 GLN HG3 . 18841 1
859 . 1 1 71 71 GLN HE21 H 1 6.835 0.008 . 1 . . 31 . . 71 GLN HE21 . 18841 1
860 . 1 1 71 71 GLN HE22 H 1 7.517 0.008 . 1 . . 80 . . 71 GLN HE22 . 18841 1
861 . 1 1 71 71 GLN CA C 13 57.477 0.04 . 1 . . 484 . . 71 GLN CA . 18841 1
862 . 1 1 71 71 GLN CB C 13 30.496 0.04 . 1 . . 485 . . 71 GLN CB . 18841 1
863 . 1 1 71 71 GLN CG C 13 34.398 0.04 . 1 . . 619 . . 71 GLN CG . 18841 1
864 . 1 1 71 71 GLN N N 15 126.444 0.04 . 1 . . 6 . . 71 GLN N . 18841 1
865 . 1 1 71 71 GLN NE2 N 15 112.536 0.04 . 1 . . 32 . . 71 GLN NE2 . 18841 1
stop_
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