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 19356
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $NChi2_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-1H NOESY' 1 $sample_NChi2 isotropic 19356 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 1 2 2 PRO HA H 1 4.256 0.004 . 1 . 46 . . 2 PRO HA . 19356 1
2 . 1 1 2 2 PRO HB2 H 1 1.774 0.004 . 1 . 51 . . 2 PRO HB2 . 19356 1
3 . 1 1 2 2 PRO HB3 H 1 2.161 0.007 . 1 . 49 . . 2 PRO HB3 . 19356 1
4 . 1 1 2 2 PRO HG2 H 1 1.901 0.003 . 1 . 50 . . 2 PRO HG2 . 19356 1
5 . 1 1 2 2 PRO HD2 H 1 3.678 0.004 . 1 . 47 . . 2 PRO HD2 . 19356 1
6 . 1 1 2 2 PRO HD3 H 1 3.513 0.002 . 1 . 48 . . 2 PRO HD3 . 19356 1
7 . 1 1 2 2 PRO C C 13 176.739 0.0893 . 1 . 504 . . 2 PRO C . 19356 1
8 . 1 1 2 2 PRO CA C 13 63.557 0.0893 . 1 . 612 . . 2 PRO CA . 19356 1
9 . 1 1 2 2 PRO CB C 13 32.070 0.074 . 1 . 613 . . 2 PRO CB . 19356 1
10 . 1 1 2 2 PRO CG C 13 27.448 0.0893 . 1 . 811 . . 2 PRO CG . 19356 1
11 . 1 1 2 2 PRO CD C 13 50.592 0.009 . 1 . 810 . . 2 PRO CD . 19356 1
12 . 1 1 3 3 ALA H H 1 8.084 0.006 . 1 . 237 . . 3 ALA H . 19356 1
13 . 1 1 3 3 ALA HA H 1 4.117 0.003 . 1 . 614 . . 3 ALA HA . 19356 1
14 . 1 1 3 3 ALA HB1 H 1 1.243 0.003 . 1 . 615 . . 3 ALA HB1 . 19356 1
15 . 1 1 3 3 ALA HB2 H 1 1.243 0.003 . 1 . 615 . . 3 ALA HB2 . 19356 1
16 . 1 1 3 3 ALA HB3 H 1 1.243 0.003 . 1 . 615 . . 3 ALA HB3 . 19356 1
17 . 1 1 3 3 ALA C C 13 177.678 0.0893 . 1 . 519 . . 3 ALA C . 19356 1
18 . 1 1 3 3 ALA CA C 13 52.746 0.059 . 1 . 505 . . 3 ALA CA . 19356 1
19 . 1 1 3 3 ALA CB C 13 19.218 0.075 . 1 . 506 . . 3 ALA CB . 19356 1
20 . 1 1 3 3 ALA N N 15 124.308 0.026 . 1 . 238 . . 3 ALA N . 19356 1
21 . 1 1 4 4 ALA H H 1 7.977 0.006 . 1 . 287 . . 4 ALA H . 19356 1
22 . 1 1 4 4 ALA HA H 1 4.132 0.005 . 1 . 617 . . 4 ALA HA . 19356 1
23 . 1 1 4 4 ALA HB1 H 1 1.252 0.006 . 1 . 616 . . 4 ALA HB1 . 19356 1
24 . 1 1 4 4 ALA HB2 H 1 1.252 0.006 . 1 . 616 . . 4 ALA HB2 . 19356 1
25 . 1 1 4 4 ALA HB3 H 1 1.252 0.006 . 1 . 616 . . 4 ALA HB3 . 19356 1
26 . 1 1 4 4 ALA C C 13 177.789 0.0893 . 1 . 669 . . 4 ALA C . 19356 1
27 . 1 1 4 4 ALA CA C 13 52.751 0.053 . 1 . 521 . . 4 ALA CA . 19356 1
28 . 1 1 4 4 ALA CB C 13 19.165 0.009 . 1 . 520 . . 4 ALA CB . 19356 1
29 . 1 1 4 4 ALA N N 15 122.774 0.016 . 1 . 288 . . 4 ALA N . 19356 1
30 . 1 1 5 5 MET H H 1 7.968 0.007 . 1 . 203 . . 5 MET H . 19356 1
31 . 1 1 5 5 MET HA H 1 4.297 0.006 . 1 . 204 . . 5 MET HA . 19356 1
32 . 1 1 5 5 MET HB2 H 1 1.858 0.003 . 1 . 207 . . 5 MET HB2 . 19356 1
33 . 1 1 5 5 MET HB3 H 1 1.945 0.003 . 1 . 208 . . 5 MET HB3 . 19356 1
34 . 1 1 5 5 MET HG2 H 1 2.392 0.003 . 1 . 205 . . 5 MET HG2 . 19356 1
35 . 1 1 5 5 MET HG3 H 1 2.461 0.004 . 1 . 206 . . 5 MET HG3 . 19356 1
36 . 1 1 5 5 MET C C 13 176.171 0.0893 . 1 . 670 . . 5 MET C . 19356 1
37 . 1 1 5 5 MET CA C 13 55.745 0.05 . 1 . 642 . . 5 MET CA . 19356 1
38 . 1 1 5 5 MET CB C 13 33.071 0.062 . 1 . 641 . . 5 MET CB . 19356 1
39 . 1 1 5 5 MET CG C 13 32.141 0.005 . 1 . 812 . . 5 MET CG . 19356 1
40 . 1 1 5 5 MET N N 15 118.995 0.032 . 1 . 282 . . 5 MET N . 19356 1
41 . 1 1 6 6 GLU H H 1 8.013 0.006 . 1 . 233 . . 6 GLU H . 19356 1
42 . 1 1 6 6 GLU HA H 1 4.227 0.0 . 1 . 675 . . 6 GLU HA . 19356 1
43 . 1 1 6 6 GLU HB2 H 1 1.849 0.004 . 1 . 673 . . 6 GLU HB2 . 19356 1
44 . 1 1 6 6 GLU HB3 H 1 1.964 0.005 . 1 . 672 . . 6 GLU HB3 . 19356 1
45 . 1 1 6 6 GLU HG3 H 1 2.305 0.021 . 1 . 671 . . 6 GLU HG3 . 19356 1
46 . 1 1 6 6 GLU C C 13 175.711 0.0893 . 1 . 666 . . 6 GLU C . 19356 1
47 . 1 1 6 6 GLU CA C 13 55.787 0.0893 . 1 . 668 . . 6 GLU CA . 19356 1
48 . 1 1 6 6 GLU CB C 13 28.868 0.075 . 1 . 667 . . 6 GLU CB . 19356 1
49 . 1 1 6 6 GLU CG C 13 32.802 0.0893 . 1 . 813 . . 6 GLU CG . 19356 1
50 . 1 1 6 6 GLU N N 15 121.352 0.032 . 1 . 234 . . 6 GLU N . 19356 1
51 . 1 1 7 7 ARG H H 1 8.050 0.006 . 1 . 280 . . 7 ARG H . 19356 1
52 . 1 1 7 7 ARG HA H 1 4.192 0.006 . 1 . 45 . . 7 ARG HA . 19356 1
53 . 1 1 7 7 ARG HB2 H 1 1.703 0.004 . 1 . 39 . . 7 ARG HB2 . 19356 1
54 . 1 1 7 7 ARG HB3 H 1 1.619 0.003 . 1 . 40 . . 7 ARG HB3 . 19356 1
55 . 1 1 7 7 ARG HG2 H 1 1.484 0.014 . 1 . 41 . . 7 ARG HG2 . 19356 1
56 . 1 1 7 7 ARG HG3 H 1 1.479 0.013 . 1 . 42 . . 7 ARG HG3 . 19356 1
57 . 1 1 7 7 ARG HD2 H 1 3.059 0.004 . 1 . 43 . . 7 ARG HD2 . 19356 1
58 . 1 1 7 7 ARG HD3 H 1 3.059 0.004 . 1 . 44 . . 7 ARG HD3 . 19356 1
59 . 1 1 7 7 ARG HE H 1 6.993 0.005 . 1 . 369 . . 7 ARG HE . 19356 1
60 . 1 1 7 7 ARG C C 13 175.850 0.0893 . 1 . 493 . . 7 ARG C . 19356 1
61 . 1 1 7 7 ARG CA C 13 56.118 0.096 . 1 . 664 . . 7 ARG CA . 19356 1
62 . 1 1 7 7 ARG CB C 13 30.964 0.113 . 1 . 665 . . 7 ARG CB . 19356 1
63 . 1 1 7 7 ARG CG C 13 27.125 0.012 . 1 . 609 . . 7 ARG CG . 19356 1
64 . 1 1 7 7 ARG CD C 13 43.493 0.063 . 1 . 608 . . 7 ARG CD . 19356 1
65 . 1 1 7 7 ARG CZ C 13 159.613 0.0893 . 1 . 760 . . 7 ARG CZ . 19356 1
66 . 1 1 7 7 ARG N N 15 122.202 0.052 . 1 . 281 . . 7 ARG N . 19356 1
67 . 1 1 7 7 ARG NE N 15 117.238 0.0 . 1 . 213 . . 7 ARG NE . 19356 1
68 . 1 1 8 8 GLN H H 1 8.156 0.005 . 1 . 244 . . 8 GLN H . 19356 1
69 . 1 1 8 8 GLN HA H 1 4.256 0.002 . 1 . 660 . . 8 GLN HA . 19356 1
70 . 1 1 8 8 GLN HB2 H 1 1.827 0.002 . 1 . 662 . . 8 GLN HB2 . 19356 1
71 . 1 1 8 8 GLN HB3 H 1 1.928 0.009 . 1 . 676 . . 8 GLN HB3 . 19356 1
72 . 1 1 8 8 GLN HG3 H 1 2.203 0.002 . 1 . 661 . . 8 GLN HG3 . 19356 1
73 . 1 1 8 8 GLN HE21 H 1 6.608 0.005 . 1 . 805 . . 8 GLN HE21 . 19356 1
74 . 1 1 8 8 GLN HE22 H 1 7.256 0.002 . 1 . 803 . . 8 GLN HE22 . 19356 1
75 . 1 1 8 8 GLN C C 13 175.541 0.0893 . 1 . 755 . . 8 GLN C . 19356 1
76 . 1 1 8 8 GLN CA C 13 55.737 0.046 . 1 . 663 . . 8 GLN CA . 19356 1
77 . 1 1 8 8 GLN CB C 13 29.663 0.106 . 1 . 494 . . 8 GLN CB . 19356 1
78 . 1 1 8 8 GLN CG C 13 34.071 0.066 . 1 . 802 . . 8 GLN CG . 19356 1
79 . 1 1 8 8 GLN CD C 13 180.472 0.0893 . 1 . 808 . . 8 GLN CD . 19356 1
80 . 1 1 8 8 GLN N N 15 122.162 0.048 . 1 . 245 . . 8 GLN N . 19356 1
81 . 1 1 8 8 GLN NE2 N 15 111.510 0.022 . 1 . 804 . . 8 GLN NE2 . 19356 1
82 . 1 1 9 9 VAL H H 1 8.026 0.009 . 1 . 349 . . 9 VAL H . 19356 1
83 . 1 1 9 9 VAL HA H 1 4.301 0.004 . 1 . 773 . . 9 VAL HA . 19356 1
84 . 1 1 9 9 VAL HB H 1 1.970 0.001 . 1 . 771 . . 9 VAL HB . 19356 1
85 . 1 1 9 9 VAL HG11 H 1 0.862 0.001 . 1 . 772 . . 9 VAL HG11 . 19356 1
86 . 1 1 9 9 VAL HG12 H 1 0.862 0.001 . 1 . 772 . . 9 VAL HG12 . 19356 1
87 . 1 1 9 9 VAL HG13 H 1 0.862 0.001 . 1 . 772 . . 9 VAL HG13 . 19356 1
88 . 1 1 9 9 VAL HG21 H 1 0.815 0.012 . 1 . 756 . . 9 VAL HG21 . 19356 1
89 . 1 1 9 9 VAL HG22 H 1 0.815 0.012 . 1 . 756 . . 9 VAL HG22 . 19356 1
90 . 1 1 9 9 VAL HG23 H 1 0.815 0.012 . 1 . 756 . . 9 VAL HG23 . 19356 1
91 . 1 1 9 9 VAL CA C 13 59.805 0.0893 . 1 . 510 . . 9 VAL CA . 19356 1
92 . 1 1 9 9 VAL CB C 13 32.620 0.0893 . 1 . 511 . . 9 VAL CB . 19356 1
93 . 1 1 9 9 VAL CG1 C 13 21.169 0.0893 . 1 . 814 . . 9 VAL CG1 . 19356 1
94 . 1 1 9 9 VAL CG2 C 13 21.179 0.0893 . 1 . 815 . . 9 VAL CG2 . 19356 1
95 . 1 1 9 9 VAL N N 15 123.284 0.04 . 1 . 350 . . 9 VAL N . 19356 1
96 . 1 1 10 10 PRO HA H 1 4.307 0.00493 . 1 . 801 . . 10 PRO HA . 19356 1
97 . 1 1 10 10 PRO C C 13 176.288 0.0893 . 1 . 753 . . 10 PRO C . 19356 1
98 . 1 1 10 10 PRO CA C 13 63.098 0.0893 . 1 . 752 . . 10 PRO CA . 19356 1
99 . 1 1 10 10 PRO CB C 13 32.269 0.0893 . 1 . 751 . . 10 PRO CB . 19356 1
100 . 1 1 11 11 TYR H H 1 8.134 0.008 . 1 . 312 . . 11 TYR H . 19356 1
101 . 1 1 11 11 TYR HA H 1 4.488 0.002 . 1 . 748 . . 11 TYR HA . 19356 1
102 . 1 1 11 11 TYR HB2 H 1 3.013 0.005 . 1 . 749 . . 11 TYR HB2 . 19356 1
103 . 1 1 11 11 TYR HB3 H 1 2.502 0.004 . 1 . 750 . . 11 TYR HB3 . 19356 1
104 . 1 1 11 11 TYR HD1 H 1 6.837 0.002 . 3 . 778 . . 11 TYR HD1 . 19356 1
105 . 1 1 11 11 TYR HD2 H 1 6.837 0.002 . 3 . 778 . . 11 TYR HD2 . 19356 1
106 . 1 1 11 11 TYR HE1 H 1 6.455 0.002 . 3 . 779 . . 11 TYR HE1 . 19356 1
107 . 1 1 11 11 TYR HE2 H 1 6.455 0.002 . 3 . 779 . . 11 TYR HE2 . 19356 1
108 . 1 1 11 11 TYR C C 13 174.903 0.0893 . 1 . 754 . . 11 TYR C . 19356 1
109 . 1 1 11 11 TYR CA C 13 57.812 0.133 . 1 . 496 . . 11 TYR CA . 19356 1
110 . 1 1 11 11 TYR CB C 13 39.399 0.16 . 1 . 497 . . 11 TYR CB . 19356 1
111 . 1 1 11 11 TYR N N 15 122.318 0.024 . 1 . 313 . . 11 TYR N . 19356 1
112 . 1 1 12 12 THR H H 1 7.769 0.007 . 1 . 276 . . 12 THR H . 19356 1
113 . 1 1 12 12 THR HA H 1 4.277 0.004 . 1 . 620 . . 12 THR HA . 19356 1
114 . 1 1 12 12 THR HB H 1 3.811 0.002 . 1 . 621 . . 12 THR HB . 19356 1
115 . 1 1 12 12 THR HG21 H 1 0.966 0.004 . 1 . 619 . . 12 THR HG21 . 19356 1
116 . 1 1 12 12 THR HG22 H 1 0.966 0.004 . 1 . 619 . . 12 THR HG22 . 19356 1
117 . 1 1 12 12 THR HG23 H 1 0.966 0.004 . 1 . 619 . . 12 THR HG23 . 19356 1
118 . 1 1 12 12 THR CB C 13 70.106 0.0893 . 1 . 618 . . 12 THR CB . 19356 1
119 . 1 1 12 12 THR N N 15 124.343 0.057 . 1 . 277 . . 12 THR N . 19356 1
120 . 1 1 13 13 PRO HA H 1 4.605 0.001 . 1 . 826 . . 13 PRO HA . 19356 1
121 . 1 1 13 13 PRO HB2 H 1 2.069 0.002 . 1 . 677 . . 13 PRO HB2 . 19356 1
122 . 1 1 13 13 PRO HG2 H 1 1.744 0.006 . 1 . 784 . . 13 PRO HG2 . 19356 1
123 . 1 1 13 13 PRO HG3 H 1 1.875 0.013 . 1 . 658 . . 13 PRO HG3 . 19356 1
124 . 1 1 13 13 PRO HD2 H 1 3.598 0.002 . 1 . 825 . . 13 PRO HD2 . 19356 1
125 . 1 1 13 13 PRO HD3 H 1 3.865 0.003 . 1 . 657 . . 13 PRO HD3 . 19356 1
126 . 1 1 13 13 PRO C C 13 176.545 0.0893 . 1 . 546 . . 13 PRO C . 19356 1
127 . 1 1 13 13 PRO CA C 13 64.231 0.0893 . 1 . 544 . . 13 PRO CA . 19356 1
128 . 1 1 13 13 PRO CB C 13 32.348 0.0893 . 1 . 545 . . 13 PRO CB . 19356 1
129 . 1 1 14 14 CYS H H 1 7.182 0.006 . 1 . 32 . . 14 CYS H . 19356 1
130 . 1 1 14 14 CYS HA H 1 5.007 0.004 . 1 . 33 . . 14 CYS HA . 19356 1
131 . 1 1 14 14 CYS HB2 H 1 3.751 0.005 . 1 . 34 . . 14 CYS HB2 . 19356 1
132 . 1 1 14 14 CYS HB3 H 1 2.204 0.003 . 1 . 35 . . 14 CYS HB3 . 19356 1
133 . 1 1 14 14 CYS C C 13 172.953 0.0893 . 1 . 495 . . 14 CYS C . 19356 1
134 . 1 1 14 14 CYS CA C 13 52.295 0.132 . 1 . 536 . . 14 CYS CA . 19356 1
135 . 1 1 14 14 CYS CB C 13 41.050 0.072 . 1 . 537 . . 14 CYS CB . 19356 1
136 . 1 1 14 14 CYS N N 15 113.830 0.025 . 1 . 518 . . 14 CYS N . 19356 1
137 . 1 1 15 15 SER H H 1 8.142 0.004 . 1 . 109 . . 15 SER H . 19356 1
138 . 1 1 15 15 SER HA H 1 4.482 0.006 . 1 . 174 . . 15 SER HA . 19356 1
139 . 1 1 15 15 SER HB2 H 1 3.644 0.001 . 1 . 110 . . 15 SER HB2 . 19356 1
140 . 1 1 15 15 SER C C 13 172.919 0.0893 . 1 . 432 . . 15 SER C . 19356 1
141 . 1 1 15 15 SER CA C 13 57.625 0.13 . 1 . 434 . . 15 SER CA . 19356 1
142 . 1 1 15 15 SER CB C 13 65.585 0.132 . 1 . 435 . . 15 SER CB . 19356 1
143 . 1 1 15 15 SER N N 15 115.565 0.018 . 1 . 321 . . 15 SER N . 19356 1
144 . 1 1 16 16 GLY H H 1 8.403 0.004 . 1 . 96 . . 16 GLY H . 19356 1
145 . 1 1 16 16 GLY HA2 H 1 3.841 0.003 . 1 . 99 . . 16 GLY HA2 . 19356 1
146 . 1 1 16 16 GLY HA3 H 1 3.532 0.002 . 1 . 98 . . 16 GLY HA3 . 19356 1
147 . 1 1 16 16 GLY C C 13 174.306 0.0893 . 1 . 682 . . 16 GLY C . 19356 1
148 . 1 1 16 16 GLY CA C 13 45.575 0.12 . 1 . 433 . . 16 GLY CA . 19356 1
149 . 1 1 16 16 GLY N N 15 109.411 0.031 . 1 . 97 . . 16 GLY N . 19356 1
150 . 1 1 17 17 LEU H H 1 8.205 0.004 . 1 . 678 . . 17 LEU H . 19356 1
151 . 1 1 17 17 LEU HA H 1 3.800 0.003 . 1 . 683 . . 17 LEU HA . 19356 1
152 . 1 1 17 17 LEU HB2 H 1 1.244 0.006 . 1 . 767 . . 17 LEU HB2 . 19356 1
153 . 1 1 17 17 LEU HB3 H 1 1.383 0.003 . 1 . 766 . . 17 LEU HB3 . 19356 1
154 . 1 1 17 17 LEU HG H 1 1.212 0.013 . 1 . 768 . . 17 LEU HG . 19356 1
155 . 1 1 17 17 LEU HD11 H 1 0.641 0.002 . 1 . 770 . . 17 LEU HD11 . 19356 1
156 . 1 1 17 17 LEU HD12 H 1 0.641 0.002 . 1 . 770 . . 17 LEU HD12 . 19356 1
157 . 1 1 17 17 LEU HD13 H 1 0.641 0.002 . 1 . 770 . . 17 LEU HD13 . 19356 1
158 . 1 1 17 17 LEU HD21 H 1 0.698 0.004 . 1 . 769 . . 17 LEU HD21 . 19356 1
159 . 1 1 17 17 LEU HD22 H 1 0.698 0.004 . 1 . 769 . . 17 LEU HD22 . 19356 1
160 . 1 1 17 17 LEU HD23 H 1 0.698 0.004 . 1 . 769 . . 17 LEU HD23 . 19356 1
161 . 1 1 17 17 LEU C C 13 178.032 0.0893 . 1 . 686 . . 17 LEU C . 19356 1
162 . 1 1 17 17 LEU CA C 13 57.697 0.113 . 1 . 680 . . 17 LEU CA . 19356 1
163 . 1 1 17 17 LEU CB C 13 42.653 0.064 . 1 . 681 . . 17 LEU CB . 19356 1
164 . 1 1 17 17 LEU N N 15 125.153 0.025 . 1 . 679 . . 17 LEU N . 19356 1
165 . 1 1 18 18 TYR H H 1 7.948 0.012 . 1 . 228 . . 18 TYR H . 19356 1
166 . 1 1 18 18 TYR HA H 1 4.029 0.003 . 1 . 659 . . 18 TYR HA . 19356 1
167 . 1 1 18 18 TYR HB2 H 1 2.725 0.005 . 1 . 684 . . 18 TYR HB2 . 19356 1
168 . 1 1 18 18 TYR HB3 H 1 2.400 0.006 . 1 . 685 . . 18 TYR HB3 . 19356 1
169 . 1 1 18 18 TYR HD1 H 1 6.967 0.003 . 3 . 819 . . 18 TYR HD1 . 19356 1
170 . 1 1 18 18 TYR HD2 H 1 6.967 0.003 . 3 . 819 . . 18 TYR HD2 . 19356 1
171 . 1 1 18 18 TYR HE1 H 1 6.540 0.003 . 3 . 818 . . 18 TYR HE1 . 19356 1
172 . 1 1 18 18 TYR HE2 H 1 6.540 0.003 . 3 . 818 . . 18 TYR HE2 . 19356 1
173 . 1 1 18 18 TYR C C 13 176.640 0.0893 . 1 . 598 . . 18 TYR C . 19356 1
174 . 1 1 18 18 TYR CA C 13 55.625 0.084 . 1 . 538 . . 18 TYR CA . 19356 1
175 . 1 1 18 18 TYR CB C 13 34.988 0.13 . 1 . 597 . . 18 TYR CB . 19356 1
176 . 1 1 18 18 TYR N N 15 118.321 0.016 . 1 . 229 . . 18 TYR N . 19356 1
177 . 1 1 19 19 GLY H H 1 6.773 0.004 . 1 . 100 . . 19 GLY H . 19356 1
178 . 1 1 19 19 GLY HA2 H 1 3.535 0.002 . 1 . 102 . . 19 GLY HA2 . 19356 1
179 . 1 1 19 19 GLY HA3 H 1 3.399 0.008 . 1 . 101 . . 19 GLY HA3 . 19356 1
180 . 1 1 19 19 GLY C C 13 174.659 0.0893 . 1 . 425 . . 19 GLY C . 19356 1
181 . 1 1 19 19 GLY CA C 13 47.060 0.109 . 1 . 577 . . 19 GLY CA . 19356 1
182 . 1 1 19 19 GLY N N 15 105.732 0.046 . 1 . 347 . . 19 GLY N . 19356 1
183 . 1 1 20 20 THR H H 1 8.465 0.008 . 1 . 123 . . 20 THR H . 19356 1
184 . 1 1 20 20 THR HA H 1 4.344 0.004 . 1 . 126 . . 20 THR HA . 19356 1
185 . 1 1 20 20 THR HB H 1 3.797 0.004 . 1 . 125 . . 20 THR HB . 19356 1
186 . 1 1 20 20 THR HG21 H 1 0.980 0.005 . 1 . 124 . . 20 THR HG21 . 19356 1
187 . 1 1 20 20 THR HG22 H 1 0.980 0.005 . 1 . 124 . . 20 THR HG22 . 19356 1
188 . 1 1 20 20 THR HG23 H 1 0.980 0.005 . 1 . 124 . . 20 THR HG23 . 19356 1
189 . 1 1 20 20 THR C C 13 173.926 0.0893 . 1 . 402 . . 20 THR C . 19356 1
190 . 1 1 20 20 THR CA C 13 62.150 0.155 . 1 . 599 . . 20 THR CA . 19356 1
191 . 1 1 20 20 THR CB C 13 70.088 0.0893 . 1 . 600 . . 20 THR CB . 19356 1
192 . 1 1 20 20 THR N N 15 118.084 0.109 . 1 . 311 . . 20 THR N . 19356 1
193 . 1 1 21 21 ALA H H 1 8.698 0.004 . 1 . 84 . . 21 ALA H . 19356 1
194 . 1 1 21 21 ALA HA H 1 4.892 0.002 . 1 . 87 . . 21 ALA HA . 19356 1
195 . 1 1 21 21 ALA HB1 H 1 0.971 0.002 . 1 . 85 . . 21 ALA HB1 . 19356 1
196 . 1 1 21 21 ALA HB2 H 1 0.971 0.002 . 1 . 85 . . 21 ALA HB2 . 19356 1
197 . 1 1 21 21 ALA HB3 H 1 0.971 0.002 . 1 . 85 . . 21 ALA HB3 . 19356 1
198 . 1 1 21 21 ALA C C 13 178.072 0.0893 . 1 . 378 . . 21 ALA C . 19356 1
199 . 1 1 21 21 ALA CA C 13 53.283 0.0893 . 1 . 380 . . 21 ALA CA . 19356 1
200 . 1 1 21 21 ALA CB C 13 19.190 0.0893 . 1 . 379 . . 21 ALA CB . 19356 1
201 . 1 1 21 21 ALA N N 15 133.523 0.033 . 1 . 86 . . 21 ALA N . 19356 1
202 . 1 1 22 22 GLN H H 1 9.276 0.005 . 1 . 59 . . 22 GLN H . 19356 1
203 . 1 1 22 22 GLN HA H 1 4.895 0.004 . 1 . 61 . . 22 GLN HA . 19356 1
204 . 1 1 22 22 GLN HB2 H 1 1.562 0.002 . 1 . 64 . . 22 GLN HB2 . 19356 1
205 . 1 1 22 22 GLN HB3 H 1 1.840 0.003 . 1 . 763 . . 22 GLN HB3 . 19356 1
206 . 1 1 22 22 GLN HG2 H 1 1.911 0.008 . 1 . 63 . . 22 GLN HG2 . 19356 1
207 . 1 1 22 22 GLN HG3 H 1 2.082 0.002 . 1 . 62 . . 22 GLN HG3 . 19356 1
208 . 1 1 22 22 GLN HE21 H 1 7.419 0.007 . 1 . 842 . . 22 GLN HE21 . 19356 1
209 . 1 1 22 22 GLN HE22 H 1 6.706 0.001 . 1 . 843 . . 22 GLN HE22 . 19356 1
210 . 1 1 22 22 GLN C C 13 175.481 0.0893 . 1 . 398 . . 22 GLN C . 19356 1
211 . 1 1 22 22 GLN CA C 13 54.982 0.165 . 1 . 401 . . 22 GLN CA . 19356 1
212 . 1 1 22 22 GLN CB C 13 36.677 0.016 . 1 . 399 . . 22 GLN CB . 19356 1
213 . 1 1 22 22 GLN N N 15 122.431 0.019 . 1 . 60 . . 22 GLN N . 19356 1
214 . 1 1 23 23 CYS H H 1 8.787 0.004 . 1 . 18 . . 23 CYS H . 19356 1
215 . 1 1 23 23 CYS HA H 1 5.431 0.002 . 1 . 17 . . 23 CYS HA . 19356 1
216 . 1 1 23 23 CYS HB2 H 1 2.989 0.007 . 1 . 16 . . 23 CYS HB2 . 19356 1
217 . 1 1 23 23 CYS HB3 H 1 2.630 0.003 . 1 . 15 . . 23 CYS HB3 . 19356 1
218 . 1 1 23 23 CYS C C 13 174.714 0.0893 . 1 . 381 . . 23 CYS C . 19356 1
219 . 1 1 23 23 CYS CA C 13 52.672 0.123 . 1 . 384 . . 23 CYS CA . 19356 1
220 . 1 1 23 23 CYS CB C 13 37.912 0.015 . 1 . 400 . . 23 CYS CB . 19356 1
221 . 1 1 23 23 CYS N N 15 117.286 0.028 . 1 . 254 . . 23 CYS N . 19356 1
222 . 1 1 24 24 CYS H H 1 9.119 0.008 . 1 . 11 . . 24 CYS H . 19356 1
223 . 1 1 24 24 CYS HA H 1 5.671 0.003 . 1 . 12 . . 24 CYS HA . 19356 1
224 . 1 1 24 24 CYS HB2 H 1 2.748 0.005 . 1 . 13 . . 24 CYS HB2 . 19356 1
225 . 1 1 24 24 CYS HB3 H 1 2.566 0.007 . 1 . 14 . . 24 CYS HB3 . 19356 1
226 . 1 1 24 24 CYS C C 13 173.678 0.0893 . 1 . 391 . . 24 CYS C . 19356 1
227 . 1 1 24 24 CYS CA C 13 55.927 0.13 . 1 . 382 . . 24 CYS CA . 19356 1
228 . 1 1 24 24 CYS CB C 13 51.148 0.115 . 1 . 383 . . 24 CYS CB . 19356 1
229 . 1 1 24 24 CYS N N 15 118.287 0.023 . 1 . 70 . . 24 CYS N . 19356 1
230 . 1 1 25 25 ALA H H 1 8.857 0.004 . 1 . 80 . . 25 ALA H . 19356 1
231 . 1 1 25 25 ALA HA H 1 4.631 0.003 . 1 . 83 . . 25 ALA HA . 19356 1
232 . 1 1 25 25 ALA HB1 H 1 1.378 0.004 . 1 . 82 . . 25 ALA HB1 . 19356 1
233 . 1 1 25 25 ALA HB2 H 1 1.378 0.004 . 1 . 82 . . 25 ALA HB2 . 19356 1
234 . 1 1 25 25 ALA HB3 H 1 1.378 0.004 . 1 . 82 . . 25 ALA HB3 . 19356 1
235 . 1 1 25 25 ALA C C 13 176.712 0.0893 . 1 . 456 . . 25 ALA C . 19356 1
236 . 1 1 25 25 ALA CA C 13 50.702 0.183 . 1 . 392 . . 25 ALA CA . 19356 1
237 . 1 1 25 25 ALA CB C 13 21.909 0.032 . 1 . 393 . . 25 ALA CB . 19356 1
238 . 1 1 25 25 ALA N N 15 126.206 0.027 . 1 . 81 . . 25 ALA N . 19356 1
239 . 1 1 26 26 THR H H 1 8.283 0.005 . 1 . 105 . . 26 THR H . 19356 1
240 . 1 1 26 26 THR HA H 1 3.932 0.001 . 1 . 107 . . 26 THR HA . 19356 1
241 . 1 1 26 26 THR HB H 1 4.067 0.002 . 1 . 106 . . 26 THR HB . 19356 1
242 . 1 1 26 26 THR HG21 H 1 1.033 0.007 . 1 . 108 . . 26 THR HG21 . 19356 1
243 . 1 1 26 26 THR HG22 H 1 1.033 0.007 . 1 . 108 . . 26 THR HG22 . 19356 1
244 . 1 1 26 26 THR HG23 H 1 1.033 0.007 . 1 . 108 . . 26 THR HG23 . 19356 1
245 . 1 1 26 26 THR C C 13 173.902 0.0893 . 1 . 502 . . 26 THR C . 19356 1
246 . 1 1 26 26 THR CA C 13 63.575 0.135 . 1 . 458 . . 26 THR CA . 19356 1
247 . 1 1 26 26 THR CB C 13 69.358 0.031 . 1 . 457 . . 26 THR CB . 19356 1
248 . 1 1 26 26 THR N N 15 115.402 0.022 . 1 . 252 . . 26 THR N . 19356 1
249 . 1 1 27 27 ASP H H 1 8.092 0.006 . 1 . 235 . . 27 ASP H . 19356 1
250 . 1 1 27 27 ASP HA H 1 4.603 0.004 . 1 . 541 . . 27 ASP HA . 19356 1
251 . 1 1 27 27 ASP HB2 H 1 2.768 0.012 . 1 . 543 . . 27 ASP HB2 . 19356 1
252 . 1 1 27 27 ASP HB3 H 1 2.426 0.009 . 1 . 542 . . 27 ASP HB3 . 19356 1
253 . 1 1 27 27 ASP C C 13 175.654 0.0893 . 1 . 690 . . 27 ASP C . 19356 1
254 . 1 1 27 27 ASP CA C 13 52.456 0.0893 . 1 . 540 . . 27 ASP CA . 19356 1
255 . 1 1 27 27 ASP CB C 13 38.865 0.0893 . 1 . 503 . . 27 ASP CB . 19356 1
256 . 1 1 27 27 ASP N N 15 123.233 0.04 . 1 . 236 . . 27 ASP N . 19356 1
257 . 1 1 28 28 VAL H H 1 8.082 0.007 . 1 . 263 . . 28 VAL H . 19356 1
258 . 1 1 28 28 VAL HA H 1 3.886 0.002 . 1 . 687 . . 28 VAL HA . 19356 1
259 . 1 1 28 28 VAL HB H 1 2.032 0.005 . 1 . 688 . . 28 VAL HB . 19356 1
260 . 1 1 28 28 VAL HG11 H 1 0.808 0.002 . 1 . 689 . . 28 VAL HG11 . 19356 1
261 . 1 1 28 28 VAL HG12 H 1 0.808 0.002 . 1 . 689 . . 28 VAL HG12 . 19356 1
262 . 1 1 28 28 VAL HG13 H 1 0.808 0.002 . 1 . 689 . . 28 VAL HG13 . 19356 1
263 . 1 1 28 28 VAL C C 13 176.171 0.0893 . 1 . 693 . . 28 VAL C . 19356 1
264 . 1 1 28 28 VAL CA C 13 63.755 0.1 . 1 . 692 . . 28 VAL CA . 19356 1
265 . 1 1 28 28 VAL CB C 13 31.910 0.027 . 1 . 691 . . 28 VAL CB . 19356 1
266 . 1 1 28 28 VAL N N 15 121.843 0.046 . 1 . 264 . . 28 VAL N . 19356 1
267 . 1 1 29 29 LEU H H 1 7.661 0.023 . 1 . 367 . . 29 LEU H . 19356 1
268 . 1 1 29 29 LEU HA H 1 4.205 0.004 . 1 . 694 . . 29 LEU HA . 19356 1
269 . 1 1 29 29 LEU HB2 H 1 1.580 0.003 . 1 . 698 . . 29 LEU HB2 . 19356 1
270 . 1 1 29 29 LEU HG H 1 1.473 0.002 . 1 . 697 . . 29 LEU HG . 19356 1
271 . 1 1 29 29 LEU HD11 H 1 0.722 0.001 . 1 . 849 . . 29 LEU HD11 . 19356 1
272 . 1 1 29 29 LEU HD12 H 1 0.722 0.001 . 1 . 849 . . 29 LEU HD12 . 19356 1
273 . 1 1 29 29 LEU HD13 H 1 0.722 0.001 . 1 . 849 . . 29 LEU HD13 . 19356 1
274 . 1 1 29 29 LEU HD21 H 1 0.769 0.008 . 1 . 696 . . 29 LEU HD21 . 19356 1
275 . 1 1 29 29 LEU HD22 H 1 0.769 0.008 . 1 . 696 . . 29 LEU HD22 . 19356 1
276 . 1 1 29 29 LEU HD23 H 1 0.769 0.008 . 1 . 696 . . 29 LEU HD23 . 19356 1
277 . 1 1 29 29 LEU C C 13 177.427 0.0893 . 1 . 695 . . 29 LEU C . 19356 1
278 . 1 1 29 29 LEU CA C 13 55.411 0.124 . 1 . 575 . . 29 LEU CA . 19356 1
279 . 1 1 29 29 LEU CB C 13 42.213 0.055 . 1 . 576 . . 29 LEU CB . 19356 1
280 . 1 1 29 29 LEU N N 15 121.180 0.018 . 1 . 368 . . 29 LEU N . 19356 1
281 . 1 1 30 30 GLY H H 1 7.605 0.015 . 1 . 304 . . 30 GLY H . 19356 1
282 . 1 1 30 30 GLY HA2 H 1 3.870 0.001 . 1 . 703 . . 30 GLY HA2 . 19356 1
283 . 1 1 30 30 GLY HA3 H 1 3.805 0.002 . 1 . 704 . . 30 GLY HA3 . 19356 1
284 . 1 1 30 30 GLY C C 13 173.726 0.0893 . 1 . 699 . . 30 GLY C . 19356 1
285 . 1 1 30 30 GLY CA C 13 45.634 0.017 . 1 . 530 . . 30 GLY CA . 19356 1
286 . 1 1 30 30 GLY N N 15 108.466 0.027 . 1 . 305 . . 30 GLY N . 19356 1
287 . 1 1 31 31 VAL H H 1 7.654 0.01 . 1 . 257 . . 31 VAL H . 19356 1
288 . 1 1 31 31 VAL HA H 1 3.962 0.005 . 1 . 702 . . 31 VAL HA . 19356 1
289 . 1 1 31 31 VAL HB H 1 1.978 0.003 . 1 . 705 . . 31 VAL HB . 19356 1
290 . 1 1 31 31 VAL HG11 H 1 0.777 0.003 . 1 . 706 . . 31 VAL HG11 . 19356 1
291 . 1 1 31 31 VAL HG12 H 1 0.777 0.003 . 1 . 706 . . 31 VAL HG12 . 19356 1
292 . 1 1 31 31 VAL HG13 H 1 0.777 0.003 . 1 . 706 . . 31 VAL HG13 . 19356 1
293 . 1 1 31 31 VAL C C 13 175.940 0.0893 . 1 . 485 . . 31 VAL C . 19356 1
294 . 1 1 31 31 VAL CA C 13 62.743 0.02 . 1 . 700 . . 31 VAL CA . 19356 1
295 . 1 1 31 31 VAL CB C 13 32.553 0.065 . 1 . 701 . . 31 VAL CB . 19356 1
296 . 1 1 31 31 VAL N N 15 118.668 0.029 . 1 . 258 . . 31 VAL N . 19356 1
297 . 1 1 32 32 ALA H H 1 8.182 0.007 . 1 . 247 . . 32 ALA H . 19356 1
298 . 1 1 32 32 ALA HA H 1 4.163 0.002 . 1 . 708 . . 32 ALA HA . 19356 1
299 . 1 1 32 32 ALA HB1 H 1 1.241 0.006 . 1 . 707 . . 32 ALA HB1 . 19356 1
300 . 1 1 32 32 ALA HB2 H 1 1.241 0.006 . 1 . 707 . . 32 ALA HB2 . 19356 1
301 . 1 1 32 32 ALA HB3 H 1 1.241 0.006 . 1 . 707 . . 32 ALA HB3 . 19356 1
302 . 1 1 32 32 ALA C C 13 176.104 0.0893 . 1 . 712 . . 32 ALA C . 19356 1
303 . 1 1 32 32 ALA CA C 13 52.852 0.0893 . 1 . 486 . . 32 ALA CA . 19356 1
304 . 1 1 32 32 ALA CB C 13 18.483 0.013 . 1 . 487 . . 32 ALA CB . 19356 1
305 . 1 1 32 32 ALA N N 15 125.207 0.013 . 1 . 248 . . 32 ALA N . 19356 1
306 . 1 1 33 33 ASP H H 1 7.972 0.005 . 1 . 709 . . 33 ASP H . 19356 1
307 . 1 1 33 33 ASP HA H 1 5.143 0.003 . 1 . 31 . . 33 ASP HA . 19356 1
308 . 1 1 33 33 ASP HB2 H 1 2.595 0.004 . 1 . 30 . . 33 ASP HB2 . 19356 1
309 . 1 1 33 33 ASP HB3 H 1 2.470 0.006 . 1 . 29 . . 33 ASP HB3 . 19356 1
310 . 1 1 33 33 ASP C C 13 173.927 0.0893 . 1 . 464 . . 33 ASP C . 19356 1
311 . 1 1 33 33 ASP CA C 13 52.646 0.0893 . 1 . 674 . . 33 ASP CA . 19356 1
312 . 1 1 33 33 ASP CB C 13 41.531 0.114 . 1 . 711 . . 33 ASP CB . 19356 1
313 . 1 1 33 33 ASP N N 15 116.159 0.055 . 1 . 710 . . 33 ASP N . 19356 1
314 . 1 1 34 34 LEU H H 1 9.029 0.01 . 1 . 142 . . 34 LEU H . 19356 1
315 . 1 1 34 34 LEU HA H 1 4.719 0.002 . 1 . 144 . . 34 LEU HA . 19356 1
316 . 1 1 34 34 LEU HB2 H 1 1.309 0.006 . 1 . 209 . . 34 LEU HB2 . 19356 1
317 . 1 1 34 34 LEU HG H 1 1.637 0.001 . 1 . 210 . . 34 LEU HG . 19356 1
318 . 1 1 34 34 LEU HD11 H 1 0.699 0.002 . 1 . 578 . . 34 LEU HD11 . 19356 1
319 . 1 1 34 34 LEU HD12 H 1 0.699 0.002 . 1 . 578 . . 34 LEU HD12 . 19356 1
320 . 1 1 34 34 LEU HD13 H 1 0.699 0.002 . 1 . 578 . . 34 LEU HD13 . 19356 1
321 . 1 1 34 34 LEU HD21 H 1 0.619 0.003 . 1 . 820 . . 34 LEU HD21 . 19356 1
322 . 1 1 34 34 LEU HD22 H 1 0.619 0.003 . 1 . 820 . . 34 LEU HD22 . 19356 1
323 . 1 1 34 34 LEU HD23 H 1 0.619 0.003 . 1 . 820 . . 34 LEU HD23 . 19356 1
324 . 1 1 34 34 LEU C C 13 175.023 0.0893 . 1 . 415 . . 34 LEU C . 19356 1
325 . 1 1 34 34 LEU CA C 13 53.515 0.198 . 1 . 418 . . 34 LEU CA . 19356 1
326 . 1 1 34 34 LEU CB C 13 46.334 0.006 . 1 . 417 . . 34 LEU CB . 19356 1
327 . 1 1 34 34 LEU CD2 C 13 23.724 0.0893 . 1 . 852 . . 34 LEU CD2 . 19356 1
328 . 1 1 34 34 LEU N N 15 121.125 0.031 . 1 . 143 . . 34 LEU N . 19356 1
329 . 1 1 35 35 ASP H H 1 8.560 0.015 . 1 . 26 . . 35 ASP H . 19356 1
330 . 1 1 35 35 ASP HA H 1 5.200 0.005 . 1 . 27 . . 35 ASP HA . 19356 1
331 . 1 1 35 35 ASP HB2 H 1 2.369 0.001 . 1 . 28 . . 35 ASP HB2 . 19356 1
332 . 1 1 35 35 ASP HB3 H 1 2.371 0.004 . 1 . 713 . . 35 ASP HB3 . 19356 1
333 . 1 1 35 35 ASP C C 13 175.654 0.0893 . 1 . 714 . . 35 ASP C . 19356 1
334 . 1 1 35 35 ASP CA C 13 52.017 0.0893 . 1 . 419 . . 35 ASP CA . 19356 1
335 . 1 1 35 35 ASP CB C 13 39.036 0.0893 . 1 . 416 . . 35 ASP CB . 19356 1
336 . 1 1 35 35 ASP N N 15 119.432 0.017 . 1 . 335 . . 35 ASP N . 19356 1
337 . 1 1 36 36 CYS H H 1 9.252 0.012 . 1 . 373 . . 36 CYS H . 19356 1
338 . 1 1 36 36 CYS HA H 1 5.588 0.003 . 1 . 19 . . 36 CYS HA . 19356 1
339 . 1 1 36 36 CYS HB2 H 1 3.168 0.009 . 1 . 21 . . 36 CYS HB2 . 19356 1
340 . 1 1 36 36 CYS HB3 H 1 2.638 0.002 . 1 . 20 . . 36 CYS HB3 . 19356 1
341 . 1 1 36 36 CYS C C 13 172.197 0.0893 . 1 . 387 . . 36 CYS C . 19356 1
342 . 1 1 36 36 CYS CA C 13 56.500 0.0893 . 1 . 389 . . 36 CYS CA . 19356 1
343 . 1 1 36 36 CYS CB C 13 47.688 0.0893 . 1 . 390 . . 36 CYS CB . 19356 1
344 . 1 1 36 36 CYS N N 15 123.732 0.013 . 1 . 374 . . 36 CYS N . 19356 1
345 . 1 1 37 37 ALA H H 1 8.971 0.005 . 1 . 76 . . 37 ALA H . 19356 1
346 . 1 1 37 37 ALA HA H 1 4.622 0.003 . 1 . 79 . . 37 ALA HA . 19356 1
347 . 1 1 37 37 ALA HB1 H 1 1.261 0.004 . 1 . 78 . . 37 ALA HB1 . 19356 1
348 . 1 1 37 37 ALA HB2 H 1 1.261 0.004 . 1 . 78 . . 37 ALA HB2 . 19356 1
349 . 1 1 37 37 ALA HB3 H 1 1.261 0.004 . 1 . 78 . . 37 ALA HB3 . 19356 1
350 . 1 1 37 37 ALA C C 13 176.427 0.0893 . 1 . 441 . . 37 ALA C . 19356 1
351 . 1 1 37 37 ALA CA C 13 51.080 0.155 . 1 . 385 . . 37 ALA CA . 19356 1
352 . 1 1 37 37 ALA CB C 13 23.072 0.129 . 1 . 386 . . 37 ALA CB . 19356 1
353 . 1 1 37 37 ALA N N 15 123.499 0.015 . 1 . 77 . . 37 ALA N . 19356 1
354 . 1 1 38 38 ASN H H 1 8.392 0.008 . 1 . 118 . . 38 ASN H . 19356 1
355 . 1 1 38 38 ASN HA H 1 4.706 0.001 . 1 . 119 . . 38 ASN HA . 19356 1
356 . 1 1 38 38 ASN HB2 H 1 2.640 0.006 . 1 . 758 . . 38 ASN HB2 . 19356 1
357 . 1 1 38 38 ASN HB3 H 1 2.524 0.004 . 1 . 757 . . 38 ASN HB3 . 19356 1
358 . 1 1 38 38 ASN HD21 H 1 7.250 0.008 . 1 . 222 . . 38 ASN HD21 . 19356 1
359 . 1 1 38 38 ASN HD22 H 1 6.364 0.002 . 1 . 223 . . 38 ASN HD22 . 19356 1
360 . 1 1 38 38 ASN CA C 13 52.010 0.0893 . 1 . 440 . . 38 ASN CA . 19356 1
361 . 1 1 38 38 ASN CB C 13 37.237 0.0893 . 1 . 442 . . 38 ASN CB . 19356 1
362 . 1 1 38 38 ASN N N 15 119.022 0.031 . 1 . 314 . . 38 ASN N . 19356 1
363 . 1 1 38 38 ASN ND2 N 15 109.913 0.024 . 1 . 359 . . 38 ASN ND2 . 19356 1
364 . 1 1 39 39 PRO HA H 1 4.897 0.002 . 1 . 780 . . 39 PRO HA . 19356 1
365 . 1 1 39 39 PRO HB2 H 1 2.080 0.006 . 1 . 781 . . 39 PRO HB2 . 19356 1
366 . 1 1 39 39 PRO HB3 H 1 2.204 0.003 . 1 . 853 . . 39 PRO HB3 . 19356 1
367 . 1 1 39 39 PRO HG2 H 1 1.839 0.003 . 1 . 783 . . 39 PRO HG2 . 19356 1
368 . 1 1 39 39 PRO HG3 H 1 1.914 0.004 . 1 . 782 . . 39 PRO HG3 . 19356 1
369 . 1 1 39 39 PRO HD2 H 1 3.461 0.001 . 1 . 851 . . 39 PRO HD2 . 19356 1
370 . 1 1 39 39 PRO HD3 H 1 3.948 0.002 . 1 . 850 . . 39 PRO HD3 . 19356 1
371 . 1 1 40 40 PRO HA H 1 4.369 0.007 . 1 . 654 . . 40 PRO HA . 19356 1
372 . 1 1 40 40 PRO HB2 H 1 1.970 0.004 . 1 . 656 . . 40 PRO HB2 . 19356 1
373 . 1 1 40 40 PRO HB3 H 1 2.096 0.001 . 1 . 655 . . 40 PRO HB3 . 19356 1
374 . 1 1 40 40 PRO HG2 H 1 1.778 0.001 . 1 . 827 . . 40 PRO HG2 . 19356 1
375 . 1 1 40 40 PRO HG3 H 1 1.897 0.00493 . 1 . 829 . . 40 PRO HG3 . 19356 1
376 . 1 1 40 40 PRO HD2 H 1 3.299 0.002 . 1 . 828 . . 40 PRO HD2 . 19356 1
377 . 1 1 40 40 PRO C C 13 175.117 0.0893 . 1 . 560 . . 40 PRO C . 19356 1
378 . 1 1 40 40 PRO CA C 13 63.692 0.0893 . 1 . 559 . . 40 PRO CA . 19356 1
379 . 1 1 40 40 PRO CB C 13 31.540 0.0893 . 1 . 561 . . 40 PRO CB . 19356 1
380 . 1 1 41 41 ALA H H 1 7.437 0.004 . 1 . 249 . . 41 ALA H . 19356 1
381 . 1 1 41 41 ALA HA H 1 4.319 0.006 . 1 . 562 . . 41 ALA HA . 19356 1
382 . 1 1 41 41 ALA HB1 H 1 1.275 0.002 . 1 . 563 . . 41 ALA HB1 . 19356 1
383 . 1 1 41 41 ALA HB2 H 1 1.275 0.002 . 1 . 563 . . 41 ALA HB2 . 19356 1
384 . 1 1 41 41 ALA HB3 H 1 1.275 0.002 . 1 . 563 . . 41 ALA HB3 . 19356 1
385 . 1 1 41 41 ALA C C 13 177.008 0.0893 . 1 . 558 . . 41 ALA C . 19356 1
386 . 1 1 41 41 ALA CA C 13 52.049 0.172 . 1 . 557 . . 41 ALA CA . 19356 1
387 . 1 1 41 41 ALA CB C 13 21.296 0.048 . 1 . 556 . . 41 ALA CB . 19356 1
388 . 1 1 41 41 ALA N N 15 121.210 0.016 . 1 . 250 . . 41 ALA N . 19356 1
389 . 1 1 42 42 THR H H 1 7.722 0.007 . 1 . 274 . . 42 THR H . 19356 1
390 . 1 1 42 42 THR HA H 1 4.040 0.002 . 1 . 565 . . 42 THR HA . 19356 1
391 . 1 1 42 42 THR HB H 1 3.980 0.005 . 1 . 564 . . 42 THR HB . 19356 1
392 . 1 1 42 42 THR HG21 H 1 1.049 0.002 . 1 . 566 . . 42 THR HG21 . 19356 1
393 . 1 1 42 42 THR HG22 H 1 1.049 0.002 . 1 . 566 . . 42 THR HG22 . 19356 1
394 . 1 1 42 42 THR HG23 H 1 1.049 0.002 . 1 . 566 . . 42 THR HG23 . 19356 1
395 . 1 1 42 42 THR C C 13 174.516 0.0893 . 1 . 472 . . 42 THR C . 19356 1
396 . 1 1 42 42 THR CA C 13 62.266 0.129 . 1 . 474 . . 42 THR CA . 19356 1
397 . 1 1 42 42 THR CB C 13 69.245 0.097 . 1 . 473 . . 42 THR CB . 19356 1
398 . 1 1 42 42 THR N N 15 112.626 0.027 . 1 . 275 . . 42 THR N . 19356 1
399 . 1 1 43 43 LEU H H 1 8.241 0.007 . 1 . 57 . . 43 LEU H . 19356 1
400 . 1 1 43 43 LEU HA H 1 4.218 0.004 . 1 . 170 . . 43 LEU HA . 19356 1
401 . 1 1 43 43 LEU HB2 H 1 1.752 0.005 . 1 . 56 . . 43 LEU HB2 . 19356 1
402 . 1 1 43 43 LEU HB3 H 1 1.030 0.004 . 1 . 54 . . 43 LEU HB3 . 19356 1
403 . 1 1 43 43 LEU HG H 1 1.532 0.004 . 1 . 55 . . 43 LEU HG . 19356 1
404 . 1 1 43 43 LEU HD11 H 1 0.254 0.003 . 1 . 52 . . 43 LEU HD11 . 19356 1
405 . 1 1 43 43 LEU HD12 H 1 0.254 0.003 . 1 . 52 . . 43 LEU HD12 . 19356 1
406 . 1 1 43 43 LEU HD13 H 1 0.254 0.003 . 1 . 52 . . 43 LEU HD13 . 19356 1
407 . 1 1 43 43 LEU HD21 H 1 0.527 0.002 . 1 . 53 . . 43 LEU HD21 . 19356 1
408 . 1 1 43 43 LEU HD22 H 1 0.527 0.002 . 1 . 53 . . 43 LEU HD22 . 19356 1
409 . 1 1 43 43 LEU HD23 H 1 0.527 0.002 . 1 . 53 . . 43 LEU HD23 . 19356 1
410 . 1 1 43 43 LEU C C 13 177.224 0.0893 . 1 . 455 . . 43 LEU C . 19356 1
411 . 1 1 43 43 LEU CA C 13 54.850 0.167 . 1 . 475 . . 43 LEU CA . 19356 1
412 . 1 1 43 43 LEU CB C 13 42.829 0.061 . 1 . 476 . . 43 LEU CB . 19356 1
413 . 1 1 43 43 LEU CG C 13 29.219 0.0893 . 1 . 832 . . 43 LEU CG . 19356 1
414 . 1 1 43 43 LEU CD1 C 13 25.171 0.0893 . 1 . 816 . . 43 LEU CD1 . 19356 1
415 . 1 1 43 43 LEU CD2 C 13 23.506 0.0893 . 1 . 817 . . 43 LEU CD2 . 19356 1
416 . 1 1 43 43 LEU N N 15 124.996 0.02 . 1 . 169 . . 43 LEU N . 19356 1
417 . 1 1 44 44 ALA H H 1 8.307 0.027 . 1 . 318 . . 44 ALA H . 19356 1
418 . 1 1 44 44 ALA HA H 1 3.994 0.002 . 1 . 567 . . 44 ALA HA . 19356 1
419 . 1 1 44 44 ALA HB1 H 1 1.064 0.003 . 1 . 568 . . 44 ALA HB1 . 19356 1
420 . 1 1 44 44 ALA HB2 H 1 1.064 0.003 . 1 . 568 . . 44 ALA HB2 . 19356 1
421 . 1 1 44 44 ALA HB3 H 1 1.064 0.003 . 1 . 568 . . 44 ALA HB3 . 19356 1
422 . 1 1 44 44 ALA C C 13 176.952 0.0893 . 1 . 631 . . 44 ALA C . 19356 1
423 . 1 1 44 44 ALA CA C 13 54.760 0.0893 . 1 . 454 . . 44 ALA CA . 19356 1
424 . 1 1 44 44 ALA CB C 13 19.858 0.0893 . 1 . 453 . . 44 ALA CB . 19356 1
425 . 1 1 44 44 ALA N N 15 122.880 0.029 . 1 . 319 . . 44 ALA N . 19356 1
426 . 1 1 45 45 ASN H H 1 7.562 0.008 . 1 . 179 . . 45 ASN H . 19356 1
427 . 1 1 45 45 ASN HA H 1 3.201 0.003 . 1 . 628 . . 45 ASN HA . 19356 1
428 . 1 1 45 45 ASN HB2 H 1 2.979 0.004 . 1 . 629 . . 45 ASN HB2 . 19356 1
429 . 1 1 45 45 ASN HB3 H 1 2.704 0.005 . 1 . 630 . . 45 ASN HB3 . 19356 1
430 . 1 1 45 45 ASN HD21 H 1 7.367 0.005 . 1 . 372 . . 45 ASN HD21 . 19356 1
431 . 1 1 45 45 ASN HD22 H 1 6.735 0.003 . 1 . 306 . . 45 ASN HD22 . 19356 1
432 . 1 1 45 45 ASN C C 13 174.939 0.0893 . 1 . 467 . . 45 ASN C . 19356 1
433 . 1 1 45 45 ASN CA C 13 51.962 0.12 . 1 . 469 . . 45 ASN CA . 19356 1
434 . 1 1 45 45 ASN CB C 13 38.677 0.08 . 1 . 470 . . 45 ASN CB . 19356 1
435 . 1 1 45 45 ASN N N 15 109.900 0.04 . 1 . 232 . . 45 ASN N . 19356 1
436 . 1 1 45 45 ASN ND2 N 15 114.566 0.014 . 1 . 307 . . 45 ASN ND2 . 19356 1
437 . 1 1 46 46 ALA H H 1 8.254 0.006 . 1 . 272 . . 46 ALA H . 19356 1
438 . 1 1 46 46 ALA HA H 1 4.238 0.007 . 1 . 579 . . 46 ALA HA . 19356 1
439 . 1 1 46 46 ALA HB1 H 1 1.356 0.003 . 1 . 580 . . 46 ALA HB1 . 19356 1
440 . 1 1 46 46 ALA HB2 H 1 1.356 0.003 . 1 . 580 . . 46 ALA HB2 . 19356 1
441 . 1 1 46 46 ALA HB3 H 1 1.356 0.003 . 1 . 580 . . 46 ALA HB3 . 19356 1
442 . 1 1 46 46 ALA C C 13 179.488 0.0893 . 1 . 523 . . 46 ALA C . 19356 1
443 . 1 1 46 46 ALA CA C 13 55.920 0.103 . 1 . 468 . . 46 ALA CA . 19356 1
444 . 1 1 46 46 ALA CB C 13 18.566 0.123 . 1 . 471 . . 46 ALA CB . 19356 1
445 . 1 1 46 46 ALA N N 15 123.251 0.021 . 1 . 273 . . 46 ALA N . 19356 1
446 . 1 1 47 47 THR H H 1 7.860 0.005 . 1 . 338 . . 47 THR H . 19356 1
447 . 1 1 47 47 THR HA H 1 3.989 0.004 . 1 . 582 . . 47 THR HA . 19356 1
448 . 1 1 47 47 THR HB H 1 3.854 0.001 . 1 . 581 . . 47 THR HB . 19356 1
449 . 1 1 47 47 THR HG21 H 1 1.054 0.005 . 1 . 583 . . 47 THR HG21 . 19356 1
450 . 1 1 47 47 THR HG22 H 1 1.054 0.005 . 1 . 583 . . 47 THR HG22 . 19356 1
451 . 1 1 47 47 THR HG23 H 1 1.054 0.005 . 1 . 583 . . 47 THR HG23 . 19356 1
452 . 1 1 47 47 THR C C 13 177.094 0.0893 . 1 . 450 . . 47 THR C . 19356 1
453 . 1 1 47 47 THR CA C 13 66.110 0.121 . 1 . 449 . . 47 THR CA . 19356 1
454 . 1 1 47 47 THR CB C 13 68.619 0.103 . 1 . 448 . . 47 THR CB . 19356 1
455 . 1 1 47 47 THR N N 15 113.009 0.029 . 1 . 339 . . 47 THR N . 19356 1
456 . 1 1 48 48 HIS H H 1 8.341 0.006 . 1 . 127 . . 48 HIS H . 19356 1
457 . 1 1 48 48 HIS HA H 1 4.575 0.001 . 1 . 128 . . 48 HIS HA . 19356 1
458 . 1 1 48 48 HIS HB2 H 1 3.368 0.009 . 1 . 129 . . 48 HIS HB2 . 19356 1
459 . 1 1 48 48 HIS HB3 H 1 3.041 0.005 . 1 . 130 . . 48 HIS HB3 . 19356 1
460 . 1 1 48 48 HIS HD2 H 1 7.259 0.001 . 1 . 844 . . 48 HIS HD2 . 19356 1
461 . 1 1 48 48 HIS HE1 H 1 8.468 0.001 . 1 . 845 . . 48 HIS HE1 . 19356 1
462 . 1 1 48 48 HIS C C 13 177.395 0.0893 . 1 . 459 . . 48 HIS C . 19356 1
463 . 1 1 48 48 HIS CA C 13 58.355 0.042 . 1 . 446 . . 48 HIS CA . 19356 1
464 . 1 1 48 48 HIS CB C 13 28.175 0.107 . 1 . 447 . . 48 HIS CB . 19356 1
465 . 1 1 48 48 HIS N N 15 119.700 0.022 . 1 . 246 . . 48 HIS N . 19356 1
466 . 1 1 49 49 PHE H H 1 8.281 0.005 . 1 . 230 . . 49 PHE H . 19356 1
467 . 1 1 49 49 PHE HA H 1 4.697 0.001 . 1 . 584 . . 49 PHE HA . 19356 1
468 . 1 1 49 49 PHE HB2 H 1 3.717 0.009 . 1 . 585 . . 49 PHE HB2 . 19356 1
469 . 1 1 49 49 PHE HB3 H 1 3.296 0.005 . 1 . 586 . . 49 PHE HB3 . 19356 1
470 . 1 1 49 49 PHE HD1 H 1 6.965 0.003 . 3 . 201 . . 49 PHE HD1 . 19356 1
471 . 1 1 49 49 PHE HD2 H 1 6.965 0.003 . 3 . 201 . . 49 PHE HD2 . 19356 1
472 . 1 1 49 49 PHE HE1 H 1 7.546 0.003 . 3 . 200 . . 49 PHE HE1 . 19356 1
473 . 1 1 49 49 PHE HE2 H 1 7.546 0.003 . 3 . 200 . . 49 PHE HE2 . 19356 1
474 . 1 1 49 49 PHE HZ H 1 7.358 0.003 . 1 . 202 . . 49 PHE HZ . 19356 1
475 . 1 1 49 49 PHE C C 13 176.454 0.0893 . 1 . 499 . . 49 PHE C . 19356 1
476 . 1 1 49 49 PHE CA C 13 58.114 0.121 . 1 . 460 . . 49 PHE CA . 19356 1
477 . 1 1 49 49 PHE CB C 13 38.264 0.042 . 1 . 461 . . 49 PHE CB . 19356 1
478 . 1 1 49 49 PHE N N 15 124.515 0.02 . 1 . 231 . . 49 PHE N . 19356 1
479 . 1 1 50 50 GLU H H 1 8.131 0.006 . 1 . 324 . . 50 GLU H . 19356 1
480 . 1 1 50 50 GLU HA H 1 3.756 0.006 . 1 . 587 . . 50 GLU HA . 19356 1
481 . 1 1 50 50 GLU HB2 H 1 2.040 0.002 . 1 . 591 . . 50 GLU HB2 . 19356 1
482 . 1 1 50 50 GLU HB3 H 1 2.100 0.002 . 1 . 590 . . 50 GLU HB3 . 19356 1
483 . 1 1 50 50 GLU HG2 H 1 2.340 0.003 . 1 . 589 . . 50 GLU HG2 . 19356 1
484 . 1 1 50 50 GLU HG3 H 1 2.383 0.006 . 1 . 588 . . 50 GLU HG3 . 19356 1
485 . 1 1 50 50 GLU C C 13 179.004 0.0893 . 1 . 426 . . 50 GLU C . 19356 1
486 . 1 1 50 50 GLU CA C 13 59.311 0.107 . 1 . 500 . . 50 GLU CA . 19356 1
487 . 1 1 50 50 GLU CB C 13 27.723 0.065 . 1 . 501 . . 50 GLU CB . 19356 1
488 . 1 1 50 50 GLU N N 15 117.736 0.028 . 1 . 325 . . 50 GLU N . 19356 1
489 . 1 1 51 51 SER H H 1 8.453 0.007 . 1 . 362 . . 51 SER H . 19356 1
490 . 1 1 51 51 SER HA H 1 4.086 0.003 . 1 . 569 . . 51 SER HA . 19356 1
491 . 1 1 51 51 SER HB2 H 1 3.807 0.008 . 1 . 570 . . 51 SER HB2 . 19356 1
492 . 1 1 51 51 SER C C 13 177.154 0.0893 . 1 . 747 . . 51 SER C . 19356 1
493 . 1 1 51 51 SER CA C 13 61.698 0.0893 . 1 . 427 . . 51 SER CA . 19356 1
494 . 1 1 51 51 SER CB C 13 62.578 0.0893 . 1 . 428 . . 51 SER CB . 19356 1
495 . 1 1 51 51 SER N N 15 115.107 0.028 . 1 . 363 . . 51 SER N . 19356 1
496 . 1 1 52 52 THR H H 1 8.216 0.004 . 1 . 268 . . 52 THR H . 19356 1
497 . 1 1 52 52 THR HA H 1 3.933 0.002 . 1 . 746 . . 52 THR HA . 19356 1
498 . 1 1 52 52 THR HB H 1 4.328 0.004 . 1 . 745 . . 52 THR HB . 19356 1
499 . 1 1 52 52 THR HG21 H 1 1.130 0.003 . 1 . 743 . . 52 THR HG21 . 19356 1
500 . 1 1 52 52 THR HG22 H 1 1.130 0.003 . 1 . 743 . . 52 THR HG22 . 19356 1
501 . 1 1 52 52 THR HG23 H 1 1.130 0.003 . 1 . 743 . . 52 THR HG23 . 19356 1
502 . 1 1 52 52 THR C C 13 176.480 0.0893 . 1 . 724 . . 52 THR C . 19356 1
503 . 1 1 52 52 THR CA C 13 67.192 0.0893 . 1 . 726 . . 52 THR CA . 19356 1
504 . 1 1 52 52 THR CB C 13 68.846 0.0893 . 1 . 725 . . 52 THR CB . 19356 1
505 . 1 1 52 52 THR N N 15 120.836 0.018 . 1 . 269 . . 52 THR N . 19356 1
506 . 1 1 53 53 CYS H H 1 7.432 0.004 . 1 . 166 . . 53 CYS H . 19356 1
507 . 1 1 53 53 CYS HA H 1 4.471 0.004 . 1 . 744 . . 53 CYS HA . 19356 1
508 . 1 1 53 53 CYS HB2 H 1 2.433 0.004 . 1 . 167 . . 53 CYS HB2 . 19356 1
509 . 1 1 53 53 CYS HB3 H 1 2.349 0.003 . 1 . 168 . . 53 CYS HB3 . 19356 1
510 . 1 1 53 53 CYS C C 13 177.175 0.0893 . 1 . 420 . . 53 CYS C . 19356 1
511 . 1 1 53 53 CYS CA C 13 54.547 0.064 . 1 . 534 . . 53 CYS CA . 19356 1
512 . 1 1 53 53 CYS CB C 13 34.245 0.046 . 1 . 535 . . 53 CYS CB . 19356 1
513 . 1 1 53 53 CYS N N 15 116.401 0.024 . 1 . 310 . . 53 CYS N . 19356 1
514 . 1 1 54 54 ALA H H 1 8.533 0.007 . 1 . 145 . . 54 ALA H . 19356 1
515 . 1 1 54 54 ALA HA H 1 4.274 0.003 . 1 . 147 . . 54 ALA HA . 19356 1
516 . 1 1 54 54 ALA HB1 H 1 1.393 0.003 . 1 . 148 . . 54 ALA HB1 . 19356 1
517 . 1 1 54 54 ALA HB2 H 1 1.393 0.003 . 1 . 148 . . 54 ALA HB2 . 19356 1
518 . 1 1 54 54 ALA HB3 H 1 1.393 0.003 . 1 . 148 . . 54 ALA HB3 . 19356 1
519 . 1 1 54 54 ALA C C 13 181.245 0.0893 . 1 . 721 . . 54 ALA C . 19356 1
520 . 1 1 54 54 ALA CA C 13 55.379 0.09 . 1 . 422 . . 54 ALA CA . 19356 1
521 . 1 1 54 54 ALA CB C 13 18.166 0.079 . 1 . 421 . . 54 ALA CB . 19356 1
522 . 1 1 54 54 ALA N N 15 124.634 0.021 . 1 . 146 . . 54 ALA N . 19356 1
523 . 1 1 55 55 ALA H H 1 7.745 0.006 . 1 . 331 . . 55 ALA H . 19356 1
524 . 1 1 55 55 ALA HA H 1 4.088 0.003 . 1 . 722 . . 55 ALA HA . 19356 1
525 . 1 1 55 55 ALA HB1 H 1 1.465 0.003 . 1 . 723 . . 55 ALA HB1 . 19356 1
526 . 1 1 55 55 ALA HB2 H 1 1.465 0.003 . 1 . 723 . . 55 ALA HB2 . 19356 1
527 . 1 1 55 55 ALA HB3 H 1 1.465 0.003 . 1 . 723 . . 55 ALA HB3 . 19356 1
528 . 1 1 55 55 ALA C C 13 179.001 0.0893 . 1 . 728 . . 55 ALA C . 19356 1
529 . 1 1 55 55 ALA CA C 13 54.775 0.056 . 1 . 720 . . 55 ALA CA . 19356 1
530 . 1 1 55 55 ALA CB C 13 18.548 0.149 . 1 . 719 . . 55 ALA CB . 19356 1
531 . 1 1 55 55 ALA N N 15 121.427 0.016 . 1 . 332 . . 55 ALA N . 19356 1
532 . 1 1 56 56 ILE H H 1 6.990 0.005 . 1 . 336 . . 56 ILE H . 19356 1
533 . 1 1 56 56 ILE HA H 1 4.535 0.003 . 1 . 727 . . 56 ILE HA . 19356 1
534 . 1 1 56 56 ILE HB H 1 2.161 0.003 . 1 . 774 . . 56 ILE HB . 19356 1
535 . 1 1 56 56 ILE HG12 H 1 1.213 0.008 . 1 . 777 . . 56 ILE HG12 . 19356 1
536 . 1 1 56 56 ILE HG21 H 1 0.803 0.003 . 1 . 775 . . 56 ILE HG21 . 19356 1
537 . 1 1 56 56 ILE HG22 H 1 0.803 0.003 . 1 . 775 . . 56 ILE HG22 . 19356 1
538 . 1 1 56 56 ILE HG23 H 1 0.803 0.003 . 1 . 775 . . 56 ILE HG23 . 19356 1
539 . 1 1 56 56 ILE HD11 H 1 0.705 0.006 . 1 . 776 . . 56 ILE HD11 . 19356 1
540 . 1 1 56 56 ILE HD12 H 1 0.705 0.006 . 1 . 776 . . 56 ILE HD12 . 19356 1
541 . 1 1 56 56 ILE HD13 H 1 0.705 0.006 . 1 . 776 . . 56 ILE HD13 . 19356 1
542 . 1 1 56 56 ILE C C 13 176.196 0.0893 . 1 . 603 . . 56 ILE C . 19356 1
543 . 1 1 56 56 ILE CA C 13 60.529 0.186 . 1 . 605 . . 56 ILE CA . 19356 1
544 . 1 1 56 56 ILE CB C 13 37.681 0.0893 . 1 . 604 . . 56 ILE CB . 19356 1
545 . 1 1 56 56 ILE CG2 C 13 17.955 0.0893 . 1 . 838 . . 56 ILE CG2 . 19356 1
546 . 1 1 56 56 ILE CD1 C 13 12.721 0.0893 . 1 . 833 . . 56 ILE CD1 . 19356 1
547 . 1 1 56 56 ILE N N 15 108.656 0.042 . 1 . 337 . . 56 ILE N . 19356 1
548 . 1 1 57 57 GLY H H 1 7.772 0.005 . 1 . 90 . . 57 GLY H . 19356 1
549 . 1 1 57 57 GLY HA2 H 1 3.943 0.005 . 1 . 92 . . 57 GLY HA2 . 19356 1
550 . 1 1 57 57 GLY HA3 H 1 3.734 0.006 . 1 . 93 . . 57 GLY HA3 . 19356 1
551 . 1 1 57 57 GLY C C 13 174.849 0.0893 . 1 . 524 . . 57 GLY C . 19356 1
552 . 1 1 57 57 GLY CA C 13 46.388 0.111 . 1 . 601 . . 57 GLY CA . 19356 1
553 . 1 1 57 57 GLY N N 15 109.651 0.036 . 1 . 91 . . 57 GLY N . 19356 1
554 . 1 1 58 58 GLN H H 1 7.832 0.005 . 1 . 295 . . 58 GLN H . 19356 1
555 . 1 1 58 58 GLN HA H 1 4.453 0.001 . 1 . 602 . . 58 GLN HA . 19356 1
556 . 1 1 58 58 GLN HB2 H 1 1.413 0.007 . 1 . 651 . . 58 GLN HB2 . 19356 1
557 . 1 1 58 58 GLN HB3 H 1 1.878 0.011 . 1 . 764 . . 58 GLN HB3 . 19356 1
558 . 1 1 58 58 GLN HG2 H 1 2.175 0.005 . 1 . 652 . . 58 GLN HG2 . 19356 1
559 . 1 1 58 58 GLN HG3 H 1 1.828 0.001 . 1 . 653 . . 58 GLN HG3 . 19356 1
560 . 1 1 58 58 GLN HE21 H 1 6.502 0.003 . 1 . 733 . . 58 GLN HE21 . 19356 1
561 . 1 1 58 58 GLN HE22 H 1 6.282 0.005 . 1 . 734 . . 58 GLN HE22 . 19356 1
562 . 1 1 58 58 GLN C C 13 174.130 0.0893 . 1 . 413 . . 58 GLN C . 19356 1
563 . 1 1 58 58 GLN CA C 13 55.016 0.105 . 1 . 525 . . 58 GLN CA . 19356 1
564 . 1 1 58 58 GLN CB C 13 32.675 0.0893 . 1 . 526 . . 58 GLN CB . 19356 1
565 . 1 1 58 58 GLN N N 15 119.658 0.029 . 1 . 296 . . 58 GLN N . 19356 1
566 . 1 1 58 58 GLN NE2 N 15 110.327 0.022 . 1 . 735 . . 58 GLN NE2 . 19356 1
567 . 1 1 59 59 ARG H H 1 8.567 0.005 . 1 . 158 . . 59 ARG H . 19356 1
568 . 1 1 59 59 ARG HA H 1 4.585 0.007 . 1 . 159 . . 59 ARG HA . 19356 1
569 . 1 1 59 59 ARG HB2 H 1 1.559 0.004 . 1 . 173 . . 59 ARG HB2 . 19356 1
570 . 1 1 59 59 ARG HG2 H 1 1.440 0.006 . 1 . 172 . . 59 ARG HG2 . 19356 1
571 . 1 1 59 59 ARG HD2 H 1 3.019 0.004 . 1 . 211 . . 59 ARG HD2 . 19356 1
572 . 1 1 59 59 ARG HD3 H 1 2.945 0.003 . 1 . 212 . . 59 ARG HD3 . 19356 1
573 . 1 1 59 59 ARG HE H 1 6.923 0.009 . 1 . 348 . . 59 ARG HE . 19356 1
574 . 1 1 59 59 ARG C C 13 175.786 0.0893 . 1 . 548 . . 59 ARG C . 19356 1
575 . 1 1 59 59 ARG CA C 13 54.140 0.085 . 1 . 412 . . 59 ARG CA . 19356 1
576 . 1 1 59 59 ARG CB C 13 33.075 0.123 . 1 . 414 . . 59 ARG CB . 19356 1
577 . 1 1 59 59 ARG CG C 13 26.797 0.0893 . 1 . 610 . . 59 ARG CG . 19356 1
578 . 1 1 59 59 ARG CD C 13 43.330 0.0893 . 1 . 611 . . 59 ARG CD . 19356 1
579 . 1 1 59 59 ARG CZ C 13 159.626 0.0893 . 1 . 761 . . 59 ARG CZ . 19356 1
580 . 1 1 59 59 ARG N N 15 117.707 0.038 . 1 . 353 . . 59 ARG N . 19356 1
581 . 1 1 59 59 ARG NE N 15 117.304 0.01 . 1 . 214 . . 59 ARG NE . 19356 1
582 . 1 1 60 60 ALA H H 1 8.088 0.005 . 1 . 36 . . 60 ALA H . 19356 1
583 . 1 1 60 60 ALA HA H 1 4.416 0.007 . 1 . 38 . . 60 ALA HA . 19356 1
584 . 1 1 60 60 ALA HB1 H 1 -0.102 0.003 . 1 . 37 . . 60 ALA HB1 . 19356 1
585 . 1 1 60 60 ALA HB2 H 1 -0.102 0.003 . 1 . 37 . . 60 ALA HB2 . 19356 1
586 . 1 1 60 60 ALA HB3 H 1 -0.102 0.003 . 1 . 37 . . 60 ALA HB3 . 19356 1
587 . 1 1 60 60 ALA C C 13 177.243 0.0893 . 1 . 549 . . 60 ALA C . 19356 1
588 . 1 1 60 60 ALA CA C 13 53.158 0.016 . 1 . 507 . . 60 ALA CA . 19356 1
589 . 1 1 60 60 ALA CB C 13 17.700 0.046 . 1 . 508 . . 60 ALA CB . 19356 1
590 . 1 1 60 60 ALA N N 15 127.042 0.025 . 1 . 171 . . 60 ALA N . 19356 1
591 . 1 1 61 61 ARG H H 1 9.003 0.005 . 1 . 71 . . 61 ARG H . 19356 1
592 . 1 1 61 61 ARG HA H 1 4.607 0.003 . 1 . 73 . . 61 ARG HA . 19356 1
593 . 1 1 61 61 ARG HB2 H 1 1.637 0.005 . 1 . 74 . . 61 ARG HB2 . 19356 1
594 . 1 1 61 61 ARG HG2 H 1 1.306 0.004 . 1 . 75 . . 61 ARG HG2 . 19356 1
595 . 1 1 61 61 ARG HD2 H 1 2.905 0.002 . 1 . 177 . . 61 ARG HD2 . 19356 1
596 . 1 1 61 61 ARG HD3 H 1 2.761 0.004 . 1 . 176 . . 61 ARG HD3 . 19356 1
597 . 1 1 61 61 ARG HE H 1 6.822 0.014 . 1 . 175 . . 61 ARG HE . 19356 1
598 . 1 1 61 61 ARG HH11 H 1 6.601 0.004 . 1 . 823 . . 61 ARG HH11 . 19356 1
599 . 1 1 61 61 ARG HH21 H 1 6.605 0.001 . 1 . 854 . . 61 ARG HH21 . 19356 1
600 . 1 1 61 61 ARG C C 13 174.338 0.0893 . 1 . 408 . . 61 ARG C . 19356 1
601 . 1 1 61 61 ARG CA C 13 53.678 0.114 . 1 . 550 . . 61 ARG CA . 19356 1
602 . 1 1 61 61 ARG CB C 13 38.014 0.138 . 1 . 411 . . 61 ARG CB . 19356 1
603 . 1 1 61 61 ARG CG C 13 26.413 0.0893 . 1 . 715 . . 61 ARG CG . 19356 1
604 . 1 1 61 61 ARG CD C 13 43.464 0.0893 . 1 . 716 . . 61 ARG CD . 19356 1
605 . 1 1 61 61 ARG CZ C 13 159.626 0.0893 . 1 . 762 . . 61 ARG CZ . 19356 1
606 . 1 1 61 61 ARG N N 15 122.338 0.018 . 1 . 72 . . 61 ARG N . 19356 1
607 . 1 1 61 61 ARG NE N 15 116.195 0.016 . 1 . 178 . . 61 ARG NE . 19356 1
608 . 1 1 61 61 ARG NH1 N 15 73.296 0.004 . 1 . 283 . . 61 ARG NH1 . 19356 1
609 . 1 1 62 62 CYS H H 1 8.600 0.006 . 1 . 22 . . 62 CYS H . 19356 1
610 . 1 1 62 62 CYS HA H 1 5.333 0.002 . 1 . 23 . . 62 CYS HA . 19356 1
611 . 1 1 62 62 CYS HB2 H 1 3.465 0.005 . 1 . 25 . . 62 CYS HB2 . 19356 1
612 . 1 1 62 62 CYS HB3 H 1 2.390 0.003 . 1 . 24 . . 62 CYS HB3 . 19356 1
613 . 1 1 62 62 CYS C C 13 175.388 0.0893 . 1 . 375 . . 62 CYS C . 19356 1
614 . 1 1 62 62 CYS CA C 13 53.424 0.094 . 1 . 377 . . 62 CYS CA . 19356 1
615 . 1 1 62 62 CYS CB C 13 40.648 0.08 . 1 . 410 . . 62 CYS CB . 19356 1
616 . 1 1 62 62 CYS N N 15 118.740 0.017 . 1 . 326 . . 62 CYS N . 19356 1
617 . 1 1 63 63 CYS H H 1 9.506 0.004 . 1 . 3 . . 63 CYS H . 19356 1
618 . 1 1 63 63 CYS HA H 1 5.780 0.004 . 1 . 4 . . 63 CYS HA . 19356 1
619 . 1 1 63 63 CYS HB2 H 1 2.930 0.006 . 1 . 5 . . 63 CYS HB2 . 19356 1
620 . 1 1 63 63 CYS HB3 H 1 2.609 0.002 . 1 . 6 . . 63 CYS HB3 . 19356 1
621 . 1 1 63 63 CYS C C 13 173.423 0.0893 . 1 . 439 . . 63 CYS C . 19356 1
622 . 1 1 63 63 CYS CA C 13 56.090 0.09 . 1 . 376 . . 63 CYS CA . 19356 1
623 . 1 1 63 63 CYS CB C 13 48.789 0.062 . 1 . 437 . . 63 CYS CB . 19356 1
624 . 1 1 63 63 CYS N N 15 122.402 0.013 . 1 . 58 . . 63 CYS N . 19356 1
625 . 1 1 64 64 LYS H H 1 8.402 0.006 . 1 . 115 . . 64 LYS H . 19356 1
626 . 1 1 64 64 LYS HA H 1 4.494 0.004 . 1 . 117 . . 64 LYS HA . 19356 1
627 . 1 1 64 64 LYS HB2 H 1 1.352 0.007 . 1 . 197 . . 64 LYS HB2 . 19356 1
628 . 1 1 64 64 LYS HB3 H 1 1.528 0.009 . 1 . 196 . . 64 LYS HB3 . 19356 1
629 . 1 1 64 64 LYS HG2 H 1 0.861 0.003 . 1 . 199 . . 64 LYS HG2 . 19356 1
630 . 1 1 64 64 LYS HD2 H 1 1.017 0.004 . 1 . 198 . . 64 LYS HD2 . 19356 1
631 . 1 1 64 64 LYS HE2 H 1 2.609 0.005 . 1 . 592 . . 64 LYS HE2 . 19356 1
632 . 1 1 64 64 LYS HE3 H 1 2.526 0.005 . 1 . 593 . . 64 LYS HE3 . 19356 1
633 . 1 1 64 64 LYS HZ1 H 1 7.058 0.004 . 1 . 226 . . 64 LYS HZ1 . 19356 1
634 . 1 1 64 64 LYS HZ2 H 1 7.058 0.004 . 1 . 226 . . 64 LYS HZ2 . 19356 1
635 . 1 1 64 64 LYS HZ3 H 1 7.058 0.004 . 1 . 226 . . 64 LYS HZ3 . 19356 1
636 . 1 1 64 64 LYS C C 13 175.750 0.0893 . 1 . 481 . . 64 LYS C . 19356 1
637 . 1 1 64 64 LYS CA C 13 56.412 0.02 . 1 . 438 . . 64 LYS CA . 19356 1
638 . 1 1 64 64 LYS CB C 13 33.966 0.11 . 1 . 436 . . 64 LYS CB . 19356 1
639 . 1 1 64 64 LYS CE C 13 42.266 0.01 . 1 . 809 . . 64 LYS CE . 19356 1
640 . 1 1 64 64 LYS N N 15 121.333 0.023 . 1 . 116 . . 64 LYS N . 19356 1
641 . 1 1 65 65 ASP H H 1 8.186 0.006 . 1 . 327 . . 65 ASP H . 19356 1
642 . 1 1 65 65 ASP HA H 1 4.427 0.005 . 1 . 552 . . 65 ASP HA . 19356 1
643 . 1 1 65 65 ASP HB2 H 1 2.734 0.004 . 1 . 553 . . 65 ASP HB2 . 19356 1
644 . 1 1 65 65 ASP HB3 H 1 2.614 0.004 . 1 . 554 . . 65 ASP HB3 . 19356 1
645 . 1 1 65 65 ASP C C 13 174.807 0.0893 . 1 . 551 . . 65 ASP C . 19356 1
646 . 1 1 65 65 ASP CA C 13 53.382 0.073 . 1 . 483 . . 65 ASP CA . 19356 1
647 . 1 1 65 65 ASP CB C 13 37.774 0.053 . 1 . 484 . . 65 ASP CB . 19356 1
648 . 1 1 65 65 ASP N N 15 119.629 0.022 . 1 . 328 . . 65 ASP N . 19356 1
649 . 1 1 66 66 ASP H H 1 8.129 0.004 . 1 . 219 . . 66 ASP H . 19356 1
650 . 1 1 66 66 ASP HA H 1 4.617 0.002 . 1 . 221 . . 66 ASP HA . 19356 1
651 . 1 1 66 66 ASP HB2 H 1 2.685 0.007 . 1 . 220 . . 66 ASP HB2 . 19356 1
652 . 1 1 66 66 ASP C C 13 174.749 0.0893 . 1 . 742 . . 66 ASP C . 19356 1
653 . 1 1 66 66 ASP CA C 13 52.854 0.079 . 1 . 498 . . 66 ASP CA . 19356 1
654 . 1 1 66 66 ASP CB C 13 38.160 0.074 . 1 . 606 . . 66 ASP CB . 19356 1
655 . 1 1 66 66 ASP N N 15 119.457 0.015 . 1 . 303 . . 66 ASP N . 19356 1
656 . 1 1 67 67 VAL H H 1 7.629 0.006 . 1 . 215 . . 67 VAL H . 19356 1
657 . 1 1 67 67 VAL HA H 1 4.141 0.003 . 1 . 217 . . 67 VAL HA . 19356 1
658 . 1 1 67 67 VAL HB H 1 2.017 0.001 . 1 . 218 . . 67 VAL HB . 19356 1
659 . 1 1 67 67 VAL HG11 H 1 0.760 0.004 . 1 . 216 . . 67 VAL HG11 . 19356 1
660 . 1 1 67 67 VAL HG12 H 1 0.760 0.004 . 1 . 216 . . 67 VAL HG12 . 19356 1
661 . 1 1 67 67 VAL HG13 H 1 0.760 0.004 . 1 . 216 . . 67 VAL HG13 . 19356 1
662 . 1 1 67 67 VAL CA C 13 62.053 0.181 . 1 . 607 . . 67 VAL CA . 19356 1
663 . 1 1 67 67 VAL CB C 13 32.758 0.03 . 1 . 533 . . 67 VAL CB . 19356 1
664 . 1 1 67 67 VAL N N 15 118.420 0.02 . 1 . 356 . . 67 VAL N . 19356 1
665 . 1 1 68 68 THR H H 1 7.867 0.007 . 1 . 340 . . 68 THR H . 19356 1
666 . 1 1 68 68 THR HA H 1 4.218 0.004 . 1 . 626 . . 68 THR HA . 19356 1
667 . 1 1 68 68 THR HB H 1 4.044 0.005 . 1 . 627 . . 68 THR HB . 19356 1
668 . 1 1 68 68 THR HG21 H 1 1.005 0.004 . 1 . 625 . . 68 THR HG21 . 19356 1
669 . 1 1 68 68 THR HG22 H 1 1.005 0.004 . 1 . 625 . . 68 THR HG22 . 19356 1
670 . 1 1 68 68 THR HG23 H 1 1.005 0.004 . 1 . 625 . . 68 THR HG23 . 19356 1
671 . 1 1 68 68 THR C C 13 174.075 0.0893 . 1 . 463 . . 68 THR C . 19356 1
672 . 1 1 68 68 THR CA C 13 61.849 0.151 . 1 . 522 . . 68 THR CA . 19356 1
673 . 1 1 68 68 THR CB C 13 69.913 0.086 . 1 . 466 . . 68 THR CB . 19356 1
674 . 1 1 68 68 THR N N 15 116.497 0.034 . 1 . 341 . . 68 THR N . 19356 1
675 . 1 1 69 69 ASN H H 1 8.254 0.006 . 1 . 111 . . 69 ASN H . 19356 1
676 . 1 1 69 69 ASN HA H 1 4.679 0.001 . 1 . 114 . . 69 ASN HA . 19356 1
677 . 1 1 69 69 ASN HB2 H 1 2.755 0.005 . 1 . 113 . . 69 ASN HB2 . 19356 1
678 . 1 1 69 69 ASN HB3 H 1 2.619 0.001 . 1 . 112 . . 69 ASN HB3 . 19356 1
679 . 1 1 69 69 ASN HD21 H 1 6.657 0.006 . 1 . 267 . . 69 ASN HD21 . 19356 1
680 . 1 1 69 69 ASN HD22 H 1 7.295 0.00493 . 1 . 806 . . 69 ASN HD22 . 19356 1
681 . 1 1 69 69 ASN C C 13 175.321 0.0893 . 1 . 517 . . 69 ASN C . 19356 1
682 . 1 1 69 69 ASN CA C 13 53.353 0.076 . 1 . 465 . . 69 ASN CA . 19356 1
683 . 1 1 69 69 ASN CB C 13 39.226 0.056 . 1 . 462 . . 69 ASN CB . 19356 1
684 . 1 1 69 69 ASN CG C 13 177.043 0.0893 . 1 . 807 . . 69 ASN CG . 19356 1
685 . 1 1 69 69 ASN N N 15 121.438 0.09 . 1 . 251 . . 69 ASN N . 19356 1
686 . 1 1 69 69 ASN ND2 N 15 112.441 0.047 . 1 . 253 . . 69 ASN ND2 . 19356 1
687 . 1 1 70 70 THR H H 1 7.996 0.006 . 1 . 284 . . 70 THR H . 19356 1
688 . 1 1 70 70 THR HA H 1 4.207 0.002 . 1 . 640 . . 70 THR HA . 19356 1
689 . 1 1 70 70 THR HB H 1 4.653 0.005 . 1 . 639 . . 70 THR HB . 19356 1
690 . 1 1 70 70 THR HG21 H 1 1.042 0.005 . 1 . 638 . . 70 THR HG21 . 19356 1
691 . 1 1 70 70 THR HG22 H 1 1.042 0.005 . 1 . 638 . . 70 THR HG22 . 19356 1
692 . 1 1 70 70 THR HG23 H 1 1.042 0.005 . 1 . 638 . . 70 THR HG23 . 19356 1
693 . 1 1 70 70 THR C C 13 175.171 0.0893 . 1 . 488 . . 70 THR C . 19356 1
694 . 1 1 70 70 THR CA C 13 62.024 0.148 . 1 . 515 . . 70 THR CA . 19356 1
695 . 1 1 70 70 THR CB C 13 69.781 0.053 . 1 . 516 . . 70 THR CB . 19356 1
696 . 1 1 70 70 THR N N 15 113.848 0.016 . 1 . 243 . . 70 THR N . 19356 1
697 . 1 1 71 71 GLY H H 1 8.183 0.007 . 1 . 329 . . 71 GLY H . 19356 1
698 . 1 1 71 71 GLY HA2 H 1 3.825 0.002 . 1 . 95 . . 71 GLY HA2 . 19356 1
699 . 1 1 71 71 GLY C C 13 173.994 0.0893 . 1 . 717 . . 71 GLY C . 19356 1
700 . 1 1 71 71 GLY CA C 13 45.709 0.085 . 1 . 489 . . 71 GLY CA . 19356 1
701 . 1 1 71 71 GLY N N 15 110.965 0.043 . 1 . 94 . . 71 GLY N . 19356 1
702 . 1 1 72 72 ASN H H 1 8.006 0.012 . 1 . 293 . . 72 ASN H . 19356 1
703 . 1 1 72 72 ASN HA H 1 4.640 0.007 . 1 . 645 . . 72 ASN HA . 19356 1
704 . 1 1 72 72 ASN HB2 H 1 2.654 0.004 . 1 . 646 . . 72 ASN HB2 . 19356 1
705 . 1 1 72 72 ASN HB3 H 1 2.568 0.007 . 1 . 647 . . 72 ASN HB3 . 19356 1
706 . 1 1 72 72 ASN C C 13 175.110 0.0893 . 1 . 512 . . 72 ASN C . 19356 1
707 . 1 1 72 72 ASN CA C 13 53.181 0.076 . 1 . 644 . . 72 ASN CA . 19356 1
708 . 1 1 72 72 ASN CB C 13 39.251 0.075 . 1 . 643 . . 72 ASN CB . 19356 1
709 . 1 1 72 72 ASN N N 15 118.764 0.046 . 1 . 294 . . 72 ASN N . 19356 1
710 . 1 1 73 73 SER H H 1 8.023 0.005 . 1 . 289 . . 73 SER H . 19356 1
711 . 1 1 73 73 SER HA H 1 4.265 0.008 . 1 . 624 . . 73 SER HA . 19356 1
712 . 1 1 73 73 SER HB2 H 1 3.702 0.008 . 1 . 623 . . 73 SER HB2 . 19356 1
713 . 1 1 73 73 SER C C 13 173.687 0.0893 . 1 . 650 . . 73 SER C . 19356 1
714 . 1 1 73 73 SER CA C 13 58.823 0.056 . 1 . 514 . . 73 SER CA . 19356 1
715 . 1 1 73 73 SER CB C 13 64.073 0.15 . 1 . 513 . . 73 SER CB . 19356 1
716 . 1 1 73 73 SER N N 15 115.560 0.027 . 1 . 290 . . 73 SER N . 19356 1
717 . 1 1 74 74 PHE H H 1 7.628 0.005 . 1 . 160 . . 74 PHE H . 19356 1
718 . 1 1 74 74 PHE HA H 1 4.801 0.003 . 1 . 161 . . 74 PHE HA . 19356 1
719 . 1 1 74 74 PHE HB2 H 1 2.943 0.002 . 1 . 163 . . 74 PHE HB2 . 19356 1
720 . 1 1 74 74 PHE HB3 H 1 2.854 0.004 . 1 . 162 . . 74 PHE HB3 . 19356 1
721 . 1 1 74 74 PHE HD1 H 1 6.997 0.002 . 3 . 822 . . 74 PHE HD1 . 19356 1
722 . 1 1 74 74 PHE HD2 H 1 6.997 0.002 . 3 . 822 . . 74 PHE HD2 . 19356 1
723 . 1 1 74 74 PHE HE1 H 1 7.159 0.004 . 3 . 821 . . 74 PHE HE1 . 19356 1
724 . 1 1 74 74 PHE HE2 H 1 7.159 0.004 . 3 . 821 . . 74 PHE HE2 . 19356 1
725 . 1 1 74 74 PHE C C 13 174.566 0.0893 . 1 . 388 . . 74 PHE C . 19356 1
726 . 1 1 74 74 PHE CA C 13 57.031 0.093 . 1 . 394 . . 74 PHE CA . 19356 1
727 . 1 1 74 74 PHE CB C 13 40.378 0.074 . 1 . 395 . . 74 PHE CB . 19356 1
728 . 1 1 74 74 PHE N N 15 119.446 0.015 . 1 . 364 . . 74 PHE N . 19356 1
729 . 1 1 75 75 LEU H H 1 8.832 0.011 . 1 . 154 . . 75 LEU H . 19356 1
730 . 1 1 75 75 LEU HA H 1 4.397 0.005 . 1 . 157 . . 75 LEU HA . 19356 1
731 . 1 1 75 75 LEU HB2 H 1 1.386 0.005 . 1 . 156 . . 75 LEU HB2 . 19356 1
732 . 1 1 75 75 LEU C C 13 175.529 0.0893 . 1 . 718 . . 75 LEU C . 19356 1
733 . 1 1 75 75 LEU CA C 13 54.435 0.0893 . 1 . 622 . . 75 LEU CA . 19356 1
734 . 1 1 75 75 LEU CB C 13 44.724 0.03 . 1 . 648 . . 75 LEU CB . 19356 1
735 . 1 1 75 75 LEU N N 15 123.571 0.012 . 1 . 155 . . 75 LEU N . 19356 1
736 . 1 1 76 76 ILE H H 1 7.982 0.006 . 1 . 259 . . 76 ILE H . 19356 1
737 . 1 1 76 76 ILE HA H 1 4.848 0.002 . 1 . 596 . . 76 ILE HA . 19356 1
738 . 1 1 76 76 ILE HB H 1 1.666 0.007 . 1 . 636 . . 76 ILE HB . 19356 1
739 . 1 1 76 76 ILE HG12 H 1 1.106 0.003 . 1 . 847 . . 76 ILE HG12 . 19356 1
740 . 1 1 76 76 ILE HG13 H 1 1.409 0.002 . 1 . 848 . . 76 ILE HG13 . 19356 1
741 . 1 1 76 76 ILE HG21 H 1 0.658 0.004 . 1 . 637 . . 76 ILE HG21 . 19356 1
742 . 1 1 76 76 ILE HG22 H 1 0.658 0.004 . 1 . 637 . . 76 ILE HG22 . 19356 1
743 . 1 1 76 76 ILE HG23 H 1 0.658 0.004 . 1 . 637 . . 76 ILE HG23 . 19356 1
744 . 1 1 76 76 ILE HD11 H 1 0.713 0.006 . 1 . 836 . . 76 ILE HD11 . 19356 1
745 . 1 1 76 76 ILE HD12 H 1 0.713 0.006 . 1 . 836 . . 76 ILE HD12 . 19356 1
746 . 1 1 76 76 ILE HD13 H 1 0.713 0.006 . 1 . 836 . . 76 ILE HD13 . 19356 1
747 . 1 1 76 76 ILE C C 13 176.138 0.0893 . 1 . 403 . . 76 ILE C . 19356 1
748 . 1 1 76 76 ILE CA C 13 60.540 0.173 . 1 . 634 . . 76 ILE CA . 19356 1
749 . 1 1 76 76 ILE CB C 13 37.513 0.044 . 1 . 635 . . 76 ILE CB . 19356 1
750 . 1 1 76 76 ILE CG2 C 13 17.590 0.0893 . 1 . 839 . . 76 ILE CG2 . 19356 1
751 . 1 1 76 76 ILE CD1 C 13 13.949 0.0893 . 1 . 835 . . 76 ILE CD1 . 19356 1
752 . 1 1 76 76 ILE N N 15 124.438 0.039 . 1 . 260 . . 76 ILE N . 19356 1
753 . 1 1 77 77 ILE H H 1 8.698 0.005 . 1 . 136 . . 77 ILE H . 19356 1
754 . 1 1 77 77 ILE HA H 1 4.361 0.007 . 1 . 137 . . 77 ILE HA . 19356 1
755 . 1 1 77 77 ILE HB H 1 1.513 0.006 . 1 . 649 . . 77 ILE HB . 19356 1
756 . 1 1 77 77 ILE HG12 H 1 1.028 0.003 . 1 . 846 . . 77 ILE HG12 . 19356 1
757 . 1 1 77 77 ILE HG13 H 1 1.384 0.004 . 1 . 841 . . 77 ILE HG13 . 19356 1
758 . 1 1 77 77 ILE HG21 H 1 0.832 0.002 . 1 . 224 . . 77 ILE HG21 . 19356 1
759 . 1 1 77 77 ILE HG22 H 1 0.832 0.002 . 1 . 224 . . 77 ILE HG22 . 19356 1
760 . 1 1 77 77 ILE HG23 H 1 0.832 0.002 . 1 . 224 . . 77 ILE HG23 . 19356 1
761 . 1 1 77 77 ILE HD11 H 1 0.733 0.009 . 1 . 765 . . 77 ILE HD11 . 19356 1
762 . 1 1 77 77 ILE HD12 H 1 0.733 0.009 . 1 . 765 . . 77 ILE HD12 . 19356 1
763 . 1 1 77 77 ILE HD13 H 1 0.733 0.009 . 1 . 765 . . 77 ILE HD13 . 19356 1
764 . 1 1 77 77 ILE C C 13 174.304 0.0893 . 1 . 423 . . 77 ILE C . 19356 1
765 . 1 1 77 77 ILE CA C 13 59.630 0.087 . 1 . 539 . . 77 ILE CA . 19356 1
766 . 1 1 77 77 ILE CG2 C 13 17.751 0.0893 . 1 . 837 . . 77 ILE CG2 . 19356 1
767 . 1 1 77 77 ILE CD1 C 13 14.068 0.0893 . 1 . 834 . . 77 ILE CD1 . 19356 1
768 . 1 1 77 77 ILE N N 15 126.944 0.014 . 1 . 370 . . 77 ILE N . 19356 1
769 . 1 1 78 78 ASN H H 1 8.484 0.006 . 1 . 149 . . 78 ASN H . 19356 1
770 . 1 1 78 78 ASN HA H 1 4.676 0.002 . 1 . 151 . . 78 ASN HA . 19356 1
771 . 1 1 78 78 ASN HB2 H 1 2.667 0.004 . 1 . 153 . . 78 ASN HB2 . 19356 1
772 . 1 1 78 78 ASN HB3 H 1 2.586 0.003 . 1 . 152 . . 78 ASN HB3 . 19356 1
773 . 1 1 78 78 ASN HD21 H 1 7.460 0.003 . 1 . 320 . . 78 ASN HD21 . 19356 1
774 . 1 1 78 78 ASN HD22 H 1 6.772 0.002 . 1 . 301 . . 78 ASN HD22 . 19356 1
775 . 1 1 78 78 ASN C C 13 176.799 0.0893 . 1 . 396 . . 78 ASN C . 19356 1
776 . 1 1 78 78 ASN CA C 13 54.689 0.126 . 1 . 424 . . 78 ASN CA . 19356 1
777 . 1 1 78 78 ASN CB C 13 39.625 0.131 . 1 . 397 . . 78 ASN CB . 19356 1
778 . 1 1 78 78 ASN CG C 13 176.462 0.004 . 1 . 759 . . 78 ASN CG . 19356 1
779 . 1 1 78 78 ASN N N 15 125.299 0.016 . 1 . 150 . . 78 ASN N . 19356 1
780 . 1 1 78 78 ASN ND2 N 15 113.058 0.023 . 1 . 302 . . 78 ASN ND2 . 19356 1
781 . 1 1 79 79 ALA H H 1 8.821 0.01 . 1 . 138 . . 79 ALA H . 19356 1
782 . 1 1 79 79 ALA HA H 1 3.745 0.003 . 1 . 140 . . 79 ALA HA . 19356 1
783 . 1 1 79 79 ALA HB1 H 1 1.211 0.009 . 1 . 141 . . 79 ALA HB1 . 19356 1
784 . 1 1 79 79 ALA HB2 H 1 1.211 0.009 . 1 . 141 . . 79 ALA HB2 . 19356 1
785 . 1 1 79 79 ALA HB3 H 1 1.211 0.009 . 1 . 141 . . 79 ALA HB3 . 19356 1
786 . 1 1 79 79 ALA C C 13 178.800 0.0893 . 1 . 452 . . 79 ALA C . 19356 1
787 . 1 1 79 79 ALA CA C 13 55.261 0.154 . 1 . 572 . . 79 ALA CA . 19356 1
788 . 1 1 79 79 ALA CB C 13 18.374 0.136 . 1 . 571 . . 79 ALA CB . 19356 1
789 . 1 1 79 79 ALA N N 15 128.349 0.04 . 1 . 139 . . 79 ALA N . 19356 1
790 . 1 1 80 80 ALA H H 1 8.323 0.008 . 1 . 120 . . 80 ALA H . 19356 1
791 . 1 1 80 80 ALA HA H 1 4.215 0.004 . 1 . 122 . . 80 ALA HA . 19356 1
792 . 1 1 80 80 ALA HB1 H 1 1.307 0.004 . 1 . 121 . . 80 ALA HB1 . 19356 1
793 . 1 1 80 80 ALA HB2 H 1 1.307 0.004 . 1 . 121 . . 80 ALA HB2 . 19356 1
794 . 1 1 80 80 ALA HB3 H 1 1.307 0.004 . 1 . 121 . . 80 ALA HB3 . 19356 1
795 . 1 1 80 80 ALA C C 13 178.412 0.0893 . 1 . 477 . . 80 ALA C . 19356 1
796 . 1 1 80 80 ALA CA C 13 53.787 0.047 . 1 . 478 . . 80 ALA CA . 19356 1
797 . 1 1 80 80 ALA CB C 13 18.364 0.111 . 1 . 573 . . 80 ALA CB . 19356 1
798 . 1 1 80 80 ALA N N 15 118.200 0.031 . 1 . 344 . . 80 ALA N . 19356 1
799 . 1 1 81 81 ASN H H 1 8.211 0.006 . 1 . 103 . . 81 ASN H . 19356 1
800 . 1 1 81 81 ASN HA H 1 4.823 0.004 . 1 . 104 . . 81 ASN HA . 19356 1
801 . 1 1 81 81 ASN HB2 H 1 3.051 0.006 . 1 . 594 . . 81 ASN HB2 . 19356 1
802 . 1 1 81 81 ASN HB3 H 1 2.944 0.006 . 1 . 595 . . 81 ASN HB3 . 19356 1
803 . 1 1 81 81 ASN C C 13 174.199 0.0893 . 1 . 527 . . 81 ASN C . 19356 1
804 . 1 1 81 81 ASN CA C 13 53.760 0.089 . 1 . 479 . . 81 ASN CA . 19356 1
805 . 1 1 81 81 ASN CB C 13 39.321 0.036 . 1 . 480 . . 81 ASN CB . 19356 1
806 . 1 1 81 81 ASN N N 15 114.944 0.027 . 1 . 330 . . 81 ASN N . 19356 1
807 . 1 1 82 82 CYS H H 1 7.803 0.006 . 1 . 7 . . 82 CYS H . 19356 1
808 . 1 1 82 82 CYS HA H 1 5.595 0.003 . 1 . 9 . . 82 CYS HA . 19356 1
809 . 1 1 82 82 CYS HB2 H 1 2.814 0.003 . 1 . 10 . . 82 CYS HB2 . 19356 1
810 . 1 1 82 82 CYS HB3 H 1 2.587 0.006 . 1 . 8 . . 82 CYS HB3 . 19356 1
811 . 1 1 82 82 CYS C C 13 171.921 0.0893 . 1 . 409 . . 82 CYS C . 19356 1
812 . 1 1 82 82 CYS CA C 13 56.438 0.108 . 1 . 528 . . 82 CYS CA . 19356 1
813 . 1 1 82 82 CYS CB C 13 49.391 0.055 . 1 . 529 . . 82 CYS CB . 19356 1
814 . 1 1 82 82 CYS N N 15 116.754 0.023 . 1 . 225 . . 82 CYS N . 19356 1
815 . 1 1 83 83 GLN H H 1 9.149 0.005 . 1 . 65 . . 83 GLN H . 19356 1
816 . 1 1 83 83 GLN HA H 1 4.523 0.003 . 1 . 67 . . 83 GLN HA . 19356 1
817 . 1 1 83 83 GLN HB2 H 1 1.495 0.003 . 1 . 180 . . 83 GLN HB2 . 19356 1
818 . 1 1 83 83 GLN HB3 H 1 1.377 0.007 . 1 . 68 . . 83 GLN HB3 . 19356 1
819 . 1 1 83 83 GLN HG2 H 1 1.626 0.01 . 1 . 69 . . 83 GLN HG2 . 19356 1
820 . 1 1 83 83 GLN HG3 H 1 1.637 0.02 . 1 . 181 . . 83 GLN HG3 . 19356 1
821 . 1 1 83 83 GLN C C 13 175.349 0.0893 . 1 . 445 . . 83 GLN C . 19356 1
822 . 1 1 83 83 GLN CA C 13 53.823 0.077 . 1 . 555 . . 83 GLN CA . 19356 1
823 . 1 1 83 83 GLN CB C 13 32.507 0.148 . 1 . 574 . . 83 GLN CB . 19356 1
824 . 1 1 83 83 GLN N N 15 119.025 0.043 . 1 . 66 . . 83 GLN N . 19356 1
825 . 1 1 84 84 THR H H 1 8.357 0.006 . 1 . 131 . . 84 THR H . 19356 1
826 . 1 1 84 84 THR HA H 1 3.851 0.001 . 1 . 134 . . 84 THR HA . 19356 1
827 . 1 1 84 84 THR HB H 1 4.245 0.002 . 1 . 135 . . 84 THR HB . 19356 1
828 . 1 1 84 84 THR HG21 H 1 1.156 0.007 . 1 . 133 . . 84 THR HG21 . 19356 1
829 . 1 1 84 84 THR HG22 H 1 1.156 0.007 . 1 . 133 . . 84 THR HG22 . 19356 1
830 . 1 1 84 84 THR HG23 H 1 1.156 0.007 . 1 . 133 . . 84 THR HG23 . 19356 1
831 . 1 1 84 84 THR CA C 13 61.506 0.0893 . 1 . 443 . . 84 THR CA . 19356 1
832 . 1 1 84 84 THR CB C 13 69.640 0.0893 . 1 . 444 . . 84 THR CB . 19356 1
833 . 1 1 84 84 THR N N 15 120.638 0.015 . 1 . 132 . . 84 THR N . 19356 1
834 . 1 1 85 85 PRO HA H 1 4.423 0.005 . 1 . 195 . . 85 PRO HA . 19356 1
835 . 1 1 85 85 PRO HB2 H 1 2.432 0.005 . 1 . 193 . . 85 PRO HB2 . 19356 1
836 . 1 1 85 85 PRO HB3 H 1 2.101 0.003 . 1 . 632 . . 85 PRO HB3 . 19356 1
837 . 1 1 85 85 PRO HG2 H 1 1.910 0.006 . 1 . 633 . . 85 PRO HG2 . 19356 1
838 . 1 1 85 85 PRO HG3 H 1 1.748 0.005 . 1 . 194 . . 85 PRO HG3 . 19356 1
839 . 1 1 85 85 PRO HD2 H 1 3.296 0.002 . 1 . 192 . . 85 PRO HD2 . 19356 1
840 . 1 1 85 85 PRO HD3 H 1 3.919 0.003 . 1 . 824 . . 85 PRO HD3 . 19356 1
841 . 1 1 85 85 PRO C C 13 175.886 0.0893 . 1 . 404 . . 85 PRO C . 19356 1
842 . 1 1 85 85 PRO CA C 13 62.703 0.079 . 1 . 407 . . 85 PRO CA . 19356 1
843 . 1 1 85 85 PRO CB C 13 32.483 0.078 . 1 . 406 . . 85 PRO CB . 19356 1
844 . 1 1 86 86 ALA H H 1 8.639 0.007 . 1 . 88 . . 86 ALA H . 19356 1
845 . 1 1 86 86 ALA HA H 1 4.100 0.001 . 1 . 190 . . 86 ALA HA . 19356 1
846 . 1 1 86 86 ALA HB1 H 1 1.309 0.034 . 1 . 191 . . 86 ALA HB1 . 19356 1
847 . 1 1 86 86 ALA HB2 H 1 1.309 0.034 . 1 . 191 . . 86 ALA HB2 . 19356 1
848 . 1 1 86 86 ALA HB3 H 1 1.309 0.034 . 1 . 191 . . 86 ALA HB3 . 19356 1
849 . 1 1 86 86 ALA C C 13 178.717 0.0893 . 1 . 429 . . 86 ALA C . 19356 1
850 . 1 1 86 86 ALA CA C 13 53.583 0.164 . 1 . 431 . . 86 ALA CA . 19356 1
851 . 1 1 86 86 ALA CB C 13 18.598 0.142 . 1 . 405 . . 86 ALA CB . 19356 1
852 . 1 1 86 86 ALA N N 15 125.498 0.032 . 1 . 89 . . 86 ALA N . 19356 1
853 . 1 1 87 87 GLY H H 1 8.417 0.065 . 1 . 187 . . 87 GLY H . 19356 1
854 . 1 1 87 87 GLY HA2 H 1 4.018 0.002 . 1 . 188 . . 87 GLY HA2 . 19356 1
855 . 1 1 87 87 GLY HA3 H 1 3.641 0.002 . 1 . 189 . . 87 GLY HA3 . 19356 1
856 . 1 1 87 87 GLY C C 13 173.932 0.0893 . 1 . 547 . . 87 GLY C . 19356 1
857 . 1 1 87 87 GLY CA C 13 45.568 0.116 . 1 . 430 . . 87 GLY CA . 19356 1
858 . 1 1 87 87 GLY N N 15 109.437 0.037 . 1 . 371 . . 87 GLY N . 19356 1
859 . 1 1 88 88 LEU H H 1 7.534 0.01 . 1 . 182 . . 88 LEU H . 19356 1
860 . 1 1 88 88 LEU HA H 1 4.381 0.002 . 1 . 186 . . 88 LEU HA . 19356 1
861 . 1 1 88 88 LEU HB2 H 1 1.449 0.013 . 1 . 183 . . 88 LEU HB2 . 19356 1
862 . 1 1 88 88 LEU HG H 1 1.366 0.001 . 1 . 184 . . 88 LEU HG . 19356 1
863 . 1 1 88 88 LEU HD11 H 1 0.662 0.005 . 1 . 185 . . 88 LEU HD11 . 19356 1
864 . 1 1 88 88 LEU HD12 H 1 0.662 0.005 . 1 . 185 . . 88 LEU HD12 . 19356 1
865 . 1 1 88 88 LEU HD13 H 1 0.662 0.005 . 1 . 185 . . 88 LEU HD13 . 19356 1
866 . 1 1 88 88 LEU CA C 13 53.569 0.0893 . 1 . 532 . . 88 LEU CA . 19356 1
867 . 1 1 88 88 LEU CB C 13 42.583 0.0893 . 1 . 531 . . 88 LEU CB . 19356 1
868 . 1 1 88 88 LEU N N 15 121.410 0.054 . 1 . 317 . . 88 LEU N . 19356 1
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