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 18331
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $CondSet1
_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 $15N-labelled isotropic 18331 1
2 '3D HNCACB' 2 $13C-15N-labelled isotropic 18331 1
3 'cbcaconh ({CA|Cca}coNH)' 2 $13C-15N-labelled isotropic 18331 1
4 '3D HNCO' 2 $13C-15N-labelled isotropic 18331 1
5 'hCCconh (C_ccoNH.TOCSY)' 2 $13C-15N-labelled isotropic 18331 1
6 '3D 1H-15N NOESY' 1 $15N-labelled isotropic 18331 1
7 '3D H(CCO)NH' 2 $13C-15N-labelled isotropic 18331 1
8 '2D 1H-13C HSQC/HMQC' 3 $13C-15N_D2O isotropic 18331 1
9 hbCBcgcdHD 3 $13C-15N_D2O isotropic 18331 1
10 HMBC-HSQC 3 $13C-15N_D2O isotropic 18331 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 3 3 HIS HA H 1 4.639 0.02 . 1 . 917 . . 3 HIS HA . 18331 1
2 . 1 1 3 3 HIS HB2 H 1 3.147 0.02 . 2 . 921 . . 3 HIS HB2 . 18331 1
3 . 1 1 3 3 HIS HB3 H 1 3.038 0.02 . 2 . 920 . . 3 HIS HB3 . 18331 1
4 . 1 1 3 3 HIS C C 13 174.963 0.1 . 1 . 919 . . 3 HIS C . 18331 1
5 . 1 1 3 3 HIS CA C 13 55.973 0.085 . 1 . 918 . . 3 HIS CA . 18331 1
6 . 1 1 3 3 HIS CB C 13 29.592 0.026 . 1 . 916 . . 3 HIS CB . 18331 1
7 . 1 1 4 4 MET H H 1 8.354 0.01 . 1 . 49 . . 4 MET H . 18331 1
8 . 1 1 4 4 MET HA H 1 4.375 0.0 . 1 . 599 . . 4 MET HA . 18331 1
9 . 1 1 4 4 MET HB2 H 1 2.075 0.02 . 2 . 602 . . 4 MET HB2 . 18331 1
10 . 1 1 4 4 MET HB3 H 1 1.982 0.02 . 2 . 601 . . 4 MET HB3 . 18331 1
11 . 1 1 4 4 MET HG2 H 1 2.484 0.005 . 2 . 795 . . 4 MET HG2 . 18331 1
12 . 1 1 4 4 MET HG3 H 1 2.550 0.011 . 2 . 600 . . 4 MET HG3 . 18331 1
13 . 1 1 4 4 MET HE1 H 1 1.996 0.004 . 1 . 810 . . 4 MET HE1 . 18331 1
14 . 1 1 4 4 MET HE2 H 1 1.996 0.004 . 1 . 810 . . 4 MET HE2 . 18331 1
15 . 1 1 4 4 MET HE3 H 1 1.996 0.004 . 1 . 810 . . 4 MET HE3 . 18331 1
16 . 1 1 4 4 MET C C 13 176.549 0.1 . 1 . 420 . . 4 MET C . 18331 1
17 . 1 1 4 4 MET CA C 13 56.199 0.103 . 1 . 491 . . 4 MET CA . 18331 1
18 . 1 1 4 4 MET CB C 13 32.220 0.129 . 1 . 577 . . 4 MET CB . 18331 1
19 . 1 1 4 4 MET CG C 13 32.110 0.022 . 1 . 865 . . 4 MET CG . 18331 1
20 . 1 1 4 4 MET CE C 13 16.812 0.1 . 1 . 809 . . 4 MET CE . 18331 1
21 . 1 1 4 4 MET N N 15 120.768 0.159 . 1 . 50 . . 4 MET N . 18331 1
22 . 1 1 5 5 SER H H 1 8.148 0.001 . 1 . 112 . . 5 SER H . 18331 1
23 . 1 1 5 5 SER HA H 1 4.526 0.004 . 1 . 332 . . 5 SER HA . 18331 1
24 . 1 1 5 5 SER HB2 H 1 3.809 0.006 . 2 . 604 . . 5 SER HB2 . 18331 1
25 . 1 1 5 5 SER HB3 H 1 3.868 0.006 . 2 . 603 . . 5 SER HB3 . 18331 1
26 . 1 1 5 5 SER C C 13 174.850 0.1 . 1 . 419 . . 5 SER C . 18331 1
27 . 1 1 5 5 SER CA C 13 58.994 0.025 . 1 . 247 . . 5 SER CA . 18331 1
28 . 1 1 5 5 SER CB C 13 64.017 0.027 . 1 . 492 . . 5 SER CB . 18331 1
29 . 1 1 5 5 SER N N 15 116.119 0.036 . 1 . 113 . . 5 SER N . 18331 1
30 . 1 1 6 6 THR H H 1 8.264 0.002 . 1 . 141 . . 6 THR H . 18331 1
31 . 1 1 6 6 THR HA H 1 4.412 0.006 . 1 . 333 . . 6 THR HA . 18331 1
32 . 1 1 6 6 THR HB H 1 4.565 0.004 . 1 . 605 . . 6 THR HB . 18331 1
33 . 1 1 6 6 THR HG21 H 1 1.259 0.003 . 1 . 606 . . 6 THR HG21 . 18331 1
34 . 1 1 6 6 THR HG22 H 1 1.259 0.003 . 1 . 606 . . 6 THR HG22 . 18331 1
35 . 1 1 6 6 THR HG23 H 1 1.259 0.003 . 1 . 606 . . 6 THR HG23 . 18331 1
36 . 1 1 6 6 THR C C 13 175.514 0.1 . 1 . 421 . . 6 THR C . 18331 1
37 . 1 1 6 6 THR CA C 13 61.989 0.072 . 1 . 269 . . 6 THR CA . 18331 1
38 . 1 1 6 6 THR CB C 13 70.732 0.074 . 1 . 270 . . 6 THR CB . 18331 1
39 . 1 1 6 6 THR CG2 C 13 21.921 0.028 . 1 . 505 . . 6 THR CG2 . 18331 1
40 . 1 1 6 6 THR N N 15 114.328 0.064 . 1 . 142 . . 6 THR N . 18331 1
41 . 1 1 7 7 ILE H H 1 8.350 0.002 . 1 . 65 . . 7 ILE H . 18331 1
42 . 1 1 7 7 ILE HA H 1 3.708 0.003 . 1 . 334 . . 7 ILE HA . 18331 1
43 . 1 1 7 7 ILE HB H 1 1.795 0.009 . 1 . 608 . . 7 ILE HB . 18331 1
44 . 1 1 7 7 ILE HG12 H 1 1.219 0.008 . 2 . 610 . . 7 ILE HG12 . 18331 1
45 . 1 1 7 7 ILE HG13 H 1 1.708 0.02 . 2 . 609 . . 7 ILE HG13 . 18331 1
46 . 1 1 7 7 ILE HG21 H 1 0.627 0.004 . 1 . 607 . . 7 ILE HG21 . 18331 1
47 . 1 1 7 7 ILE HG22 H 1 0.627 0.004 . 1 . 607 . . 7 ILE HG22 . 18331 1
48 . 1 1 7 7 ILE HG23 H 1 0.627 0.004 . 1 . 607 . . 7 ILE HG23 . 18331 1
49 . 1 1 7 7 ILE HD11 H 1 0.805 0.02 . 1 . 611 . . 7 ILE HD11 . 18331 1
50 . 1 1 7 7 ILE HD12 H 1 0.805 0.02 . 1 . 611 . . 7 ILE HD12 . 18331 1
51 . 1 1 7 7 ILE HD13 H 1 0.805 0.02 . 1 . 611 . . 7 ILE HD13 . 18331 1
52 . 1 1 7 7 ILE C C 13 177.433 0.1 . 1 . 422 . . 7 ILE C . 18331 1
53 . 1 1 7 7 ILE CA C 13 65.953 0.081 . 1 . 216 . . 7 ILE CA . 18331 1
54 . 1 1 7 7 ILE CB C 13 37.185 0.039 . 1 . 215 . . 7 ILE CB . 18331 1
55 . 1 1 7 7 ILE CG1 C 13 29.152 0.075 . 1 . 493 . . 7 ILE CG1 . 18331 1
56 . 1 1 7 7 ILE CG2 C 13 18.016 0.063 . 1 . 494 . . 7 ILE CG2 . 18331 1
57 . 1 1 7 7 ILE CD1 C 13 12.950 0.1 . 1 . 495 . . 7 ILE CD1 . 18331 1
58 . 1 1 7 7 ILE N N 15 121.714 0.016 . 1 . 66 . . 7 ILE N . 18331 1
59 . 1 1 8 8 GLU H H 1 8.543 0.003 . 1 . 119 . . 8 GLU H . 18331 1
60 . 1 1 8 8 GLU HA H 1 3.629 0.007 . 1 . 830 . . 8 GLU HA . 18331 1
61 . 1 1 8 8 GLU HB2 H 1 1.966 0.02 . 2 . 612 . . 8 GLU HB2 . 18331 1
62 . 1 1 8 8 GLU HB3 H 1 2.092 0.02 . 2 . 797 . . 8 GLU HB3 . 18331 1
63 . 1 1 8 8 GLU HG2 H 1 2.262 0.02 . 2 . 613 . . 8 GLU HG2 . 18331 1
64 . 1 1 8 8 GLU HG3 H 1 2.373 0.02 . 2 . 796 . . 8 GLU HG3 . 18331 1
65 . 1 1 8 8 GLU C C 13 179.698 0.1 . 1 . 584 . . 8 GLU C . 18331 1
66 . 1 1 8 8 GLU CA C 13 60.257 0.077 . 1 . 251 . . 8 GLU CA . 18331 1
67 . 1 1 8 8 GLU CB C 13 29.724 0.07 . 1 . 250 . . 8 GLU CB . 18331 1
68 . 1 1 8 8 GLU CG C 13 36.351 0.1 . 1 . 591 . . 8 GLU CG . 18331 1
69 . 1 1 8 8 GLU N N 15 118.544 0.043 . 1 . 120 . . 8 GLU N . 18331 1
70 . 1 1 9 9 GLU H H 1 7.815 0.009 . 1 . 88 . . 9 GLU H . 18331 1
71 . 1 1 9 9 GLU HA H 1 3.830 0.007 . 1 . 792 . . 9 GLU HA . 18331 1
72 . 1 1 9 9 GLU HB2 H 1 2.013 0.02 . 2 . 614 . . 9 GLU HB2 . 18331 1
73 . 1 1 9 9 GLU HB3 H 1 2.225 0.02 . 2 . 615 . . 9 GLU HB3 . 18331 1
74 . 1 1 9 9 GLU HG2 H 1 2.289 0.02 . 2 . 616 . . 9 GLU HG2 . 18331 1
75 . 1 1 9 9 GLU HG3 H 1 2.286 0.003 . 2 . 798 . . 9 GLU HG3 . 18331 1
76 . 1 1 9 9 GLU C C 13 179.449 0.1 . 1 . 583 . . 9 GLU C . 18331 1
77 . 1 1 9 9 GLU CA C 13 59.692 0.1 . 1 . 230 . . 9 GLU CA . 18331 1
78 . 1 1 9 9 GLU CB C 13 29.719 0.1 . 1 . 593 . . 9 GLU CB . 18331 1
79 . 1 1 9 9 GLU CG C 13 36.947 0.1 . 1 . 592 . . 9 GLU CG . 18331 1
80 . 1 1 9 9 GLU N N 15 117.261 0.085 . 1 . 89 . . 9 GLU N . 18331 1
81 . 1 1 10 10 ARG H H 1 8.278 0.017 . 1 . 176 . . 10 ARG H . 18331 1
82 . 1 1 10 10 ARG HA H 1 3.951 0.003 . 1 . 617 . . 10 ARG HA . 18331 1
83 . 1 1 10 10 ARG HB2 H 1 2.021 0.02 . 2 . 620 . . 10 ARG HB2 . 18331 1
84 . 1 1 10 10 ARG HB3 H 1 1.896 0.001 . 2 . 621 . . 10 ARG HB3 . 18331 1
85 . 1 1 10 10 ARG HG2 H 1 1.882 0.012 . 2 . 866 . . 10 ARG HG2 . 18331 1
86 . 1 1 10 10 ARG HG3 H 1 1.629 0.02 . 2 . 622 . . 10 ARG HG3 . 18331 1
87 . 1 1 10 10 ARG HD2 H 1 2.882 0.02 . 2 . 619 . . 10 ARG HD2 . 18331 1
88 . 1 1 10 10 ARG HD3 H 1 3.159 0.003 . 2 . 618 . . 10 ARG HD3 . 18331 1
89 . 1 1 10 10 ARG HE H 1 7.335 0.02 . 1 . 162 . . 10 ARG HE . 18331 1
90 . 1 1 10 10 ARG C C 13 179.056 0.1 . 1 . 423 . . 10 ARG C . 18331 1
91 . 1 1 10 10 ARG CA C 13 59.512 0.1 . 1 . 578 . . 10 ARG CA . 18331 1
92 . 1 1 10 10 ARG CB C 13 32.193 0.1 . 1 . 296 . . 10 ARG CB . 18331 1
93 . 1 1 10 10 ARG CG C 13 27.197 0.053 . 1 . 284 . . 10 ARG CG . 18331 1
94 . 1 1 10 10 ARG CD C 13 44.557 0.013 . 1 . 283 . . 10 ARG CD . 18331 1
95 . 1 1 10 10 ARG N N 15 119.345 0.1 . 1 . 177 . . 10 ARG N . 18331 1
96 . 1 1 10 10 ARG NE N 15 83.940 0.002 . 1 . 163 . . 10 ARG NE . 18331 1
97 . 1 1 11 11 VAL H H 1 8.912 0.002 . 1 . 47 . . 11 VAL H . 18331 1
98 . 1 1 11 11 VAL HA H 1 3.531 0.01 . 1 . 335 . . 11 VAL HA . 18331 1
99 . 1 1 11 11 VAL HB H 1 2.062 0.007 . 1 . 336 . . 11 VAL HB . 18331 1
100 . 1 1 11 11 VAL HG11 H 1 0.818 0.02 . 2 . 624 . . 11 VAL HG11 . 18331 1
101 . 1 1 11 11 VAL HG12 H 1 0.818 0.02 . 2 . 624 . . 11 VAL HG12 . 18331 1
102 . 1 1 11 11 VAL HG13 H 1 0.818 0.02 . 2 . 624 . . 11 VAL HG13 . 18331 1
103 . 1 1 11 11 VAL HG21 H 1 0.914 0.006 . 2 . 623 . . 11 VAL HG21 . 18331 1
104 . 1 1 11 11 VAL HG22 H 1 0.914 0.006 . 2 . 623 . . 11 VAL HG22 . 18331 1
105 . 1 1 11 11 VAL HG23 H 1 0.914 0.006 . 2 . 623 . . 11 VAL HG23 . 18331 1
106 . 1 1 11 11 VAL C C 13 177.532 0.1 . 1 . 424 . . 11 VAL C . 18331 1
107 . 1 1 11 11 VAL CA C 13 67.679 0.056 . 1 . 205 . . 11 VAL CA . 18331 1
108 . 1 1 11 11 VAL CB C 13 31.485 0.051 . 1 . 322 . . 11 VAL CB . 18331 1
109 . 1 1 11 11 VAL CG1 C 13 24.327 0.1 . 2 . 496 . . 11 VAL CG1 . 18331 1
110 . 1 1 11 11 VAL CG2 C 13 21.589 0.1 . 2 . 497 . . 11 VAL CG2 . 18331 1
111 . 1 1 11 11 VAL N N 15 119.053 0.006 . 1 . 48 . . 11 VAL N . 18331 1
112 . 1 1 12 12 LYS H H 1 8.056 0.014 . 1 . 101 . . 12 LYS H . 18331 1
113 . 1 1 12 12 LYS HA H 1 3.619 0.003 . 1 . 337 . . 12 LYS HA . 18331 1
114 . 1 1 12 12 LYS HB2 H 1 1.887 0.009 . 2 . 625 . . 12 LYS HB2 . 18331 1
115 . 1 1 12 12 LYS HB3 H 1 1.733 0.02 . 2 . 626 . . 12 LYS HB3 . 18331 1
116 . 1 1 12 12 LYS HG2 H 1 1.026 0.02 . 1 . 628 . . 12 LYS HG2 . 18331 1
117 . 1 1 12 12 LYS HG3 H 1 1.026 0.02 . 1 . 864 . . 12 LYS HG3 . 18331 1
118 . 1 1 12 12 LYS HD2 H 1 1.600 0.02 . 1 . 627 . . 12 LYS HD2 . 18331 1
119 . 1 1 12 12 LYS HD3 H 1 1.600 0.02 . 1 . 863 . . 12 LYS HD3 . 18331 1
120 . 1 1 12 12 LYS HE2 H 1 2.672 0.012 . 1 . 862 . . 12 LYS HE2 . 18331 1
121 . 1 1 12 12 LYS HE3 H 1 2.672 0.012 . 1 . 833 . . 12 LYS HE3 . 18331 1
122 . 1 1 12 12 LYS C C 13 177.901 0.1 . 1 . 425 . . 12 LYS C . 18331 1
123 . 1 1 12 12 LYS CA C 13 61.910 0.1 . 1 . 240 . . 12 LYS CA . 18331 1
124 . 1 1 12 12 LYS CB C 13 32.311 0.08 . 1 . 241 . . 12 LYS CB . 18331 1
125 . 1 1 12 12 LYS CG C 13 27.549 0.1 . 1 . 499 . . 12 LYS CG . 18331 1
126 . 1 1 12 12 LYS CD C 13 29.766 0.1 . 1 . 498 . . 12 LYS CD . 18331 1
127 . 1 1 12 12 LYS CE C 13 42.546 0.1 . 1 . 500 . . 12 LYS CE . 18331 1
128 . 1 1 12 12 LYS N N 15 117.251 0.076 . 1 . 102 . . 12 LYS N . 18331 1
129 . 1 1 13 13 LYS H H 1 7.764 0.009 . 1 . 108 . . 13 LYS H . 18331 1
130 . 1 1 13 13 LYS HA H 1 3.903 0.004 . 1 . 338 . . 13 LYS HA . 18331 1
131 . 1 1 13 13 LYS HB2 H 1 1.860 0.013 . 2 . 629 . . 13 LYS HB2 . 18331 1
132 . 1 1 13 13 LYS HB3 H 1 1.847 0.02 . 2 . 799 . . 13 LYS HB3 . 18331 1
133 . 1 1 13 13 LYS HG2 H 1 1.304 0.02 . 2 . 632 . . 13 LYS HG2 . 18331 1
134 . 1 1 13 13 LYS HG3 H 1 1.442 0.003 . 2 . 631 . . 13 LYS HG3 . 18331 1
135 . 1 1 13 13 LYS HD2 H 1 1.571 0.02 . 1 . 630 . . 13 LYS HD2 . 18331 1
136 . 1 1 13 13 LYS HD3 H 1 1.571 0.02 . 1 . 841 . . 13 LYS HD3 . 18331 1
137 . 1 1 13 13 LYS HE2 H 1 2.872 0.02 . 1 . 840 . . 13 LYS HE2 . 18331 1
138 . 1 1 13 13 LYS HE3 H 1 2.872 0.02 . 1 . 633 . . 13 LYS HE3 . 18331 1
139 . 1 1 13 13 LYS C C 13 178.503 0.1 . 1 . 426 . . 13 LYS C . 18331 1
140 . 1 1 13 13 LYS CA C 13 59.720 0.1 . 1 . 244 . . 13 LYS CA . 18331 1
141 . 1 1 13 13 LYS CB C 13 32.514 0.1 . 1 . 502 . . 13 LYS CB . 18331 1
142 . 1 1 13 13 LYS CG C 13 24.870 0.013 . 1 . 504 . . 13 LYS CG . 18331 1
143 . 1 1 13 13 LYS CD C 13 29.132 0.1 . 1 . 503 . . 13 LYS CD . 18331 1
144 . 1 1 13 13 LYS CE C 13 42.027 0.1 . 1 . 501 . . 13 LYS CE . 18331 1
145 . 1 1 13 13 LYS N N 15 118.546 0.002 . 1 . 109 . . 13 LYS N . 18331 1
146 . 1 1 14 14 ILE H H 1 7.589 0.005 . 1 . 53 . . 14 ILE H . 18331 1
147 . 1 1 14 14 ILE HA H 1 3.783 0.015 . 1 . 339 . . 14 ILE HA . 18331 1
148 . 1 1 14 14 ILE HB H 1 1.993 0.009 . 1 . 340 . . 14 ILE HB . 18331 1
149 . 1 1 14 14 ILE HG12 H 1 1.382 0.014 . 2 . 800 . . 14 ILE HG12 . 18331 1
150 . 1 1 14 14 ILE HG13 H 1 1.459 0.003 . 2 . 634 . . 14 ILE HG13 . 18331 1
151 . 1 1 14 14 ILE HG21 H 1 0.752 0.012 . 1 . 635 . . 14 ILE HG21 . 18331 1
152 . 1 1 14 14 ILE HG22 H 1 0.752 0.012 . 1 . 635 . . 14 ILE HG22 . 18331 1
153 . 1 1 14 14 ILE HG23 H 1 0.752 0.012 . 1 . 635 . . 14 ILE HG23 . 18331 1
154 . 1 1 14 14 ILE HD11 H 1 0.519 0.004 . 1 . 803 . . 14 ILE HD11 . 18331 1
155 . 1 1 14 14 ILE HD12 H 1 0.519 0.004 . 1 . 803 . . 14 ILE HD12 . 18331 1
156 . 1 1 14 14 ILE HD13 H 1 0.519 0.004 . 1 . 803 . . 14 ILE HD13 . 18331 1
157 . 1 1 14 14 ILE C C 13 178.188 0.1 . 1 . 427 . . 14 ILE C . 18331 1
158 . 1 1 14 14 ILE CA C 13 63.939 0.049 . 1 . 206 . . 14 ILE CA . 18331 1
159 . 1 1 14 14 ILE CB C 13 37.330 0.053 . 1 . 323 . . 14 ILE CB . 18331 1
160 . 1 1 14 14 ILE CG1 C 13 29.212 0.065 . 1 . 506 . . 14 ILE CG1 . 18331 1
161 . 1 1 14 14 ILE CG2 C 13 18.018 0.019 . 1 . 507 . . 14 ILE CG2 . 18331 1
162 . 1 1 14 14 ILE CD1 C 13 12.551 0.045 . 1 . 508 . . 14 ILE CD1 . 18331 1
163 . 1 1 14 14 ILE N N 15 119.671 0.1 . 1 . 54 . . 14 ILE N . 18331 1
164 . 1 1 15 15 VAL H H 1 8.445 0.003 . 1 . 63 . . 15 VAL H . 18331 1
165 . 1 1 15 15 VAL HA H 1 3.246 0.003 . 1 . 342 . . 15 VAL HA . 18331 1
166 . 1 1 15 15 VAL HB H 1 2.150 0.005 . 1 . 341 . . 15 VAL HB . 18331 1
167 . 1 1 15 15 VAL HG11 H 1 0.794 0.005 . 2 . 636 . . 15 VAL HG11 . 18331 1
168 . 1 1 15 15 VAL HG12 H 1 0.794 0.005 . 2 . 636 . . 15 VAL HG12 . 18331 1
169 . 1 1 15 15 VAL HG13 H 1 0.794 0.005 . 2 . 636 . . 15 VAL HG13 . 18331 1
170 . 1 1 15 15 VAL HG21 H 1 1.006 0.009 . 2 . 637 . . 15 VAL HG21 . 18331 1
171 . 1 1 15 15 VAL HG22 H 1 1.006 0.009 . 2 . 637 . . 15 VAL HG22 . 18331 1
172 . 1 1 15 15 VAL HG23 H 1 1.006 0.009 . 2 . 637 . . 15 VAL HG23 . 18331 1
173 . 1 1 15 15 VAL C C 13 176.871 0.1 . 1 . 428 . . 15 VAL C . 18331 1
174 . 1 1 15 15 VAL CA C 13 67.087 0.096 . 1 . 509 . . 15 VAL CA . 18331 1
175 . 1 1 15 15 VAL CB C 13 31.474 0.084 . 1 . 214 . . 15 VAL CB . 18331 1
176 . 1 1 15 15 VAL CG1 C 13 22.917 0.085 . 2 . 511 . . 15 VAL CG1 . 18331 1
177 . 1 1 15 15 VAL CG2 C 13 23.230 0.1 . 2 . 510 . . 15 VAL CG2 . 18331 1
178 . 1 1 15 15 VAL N N 15 119.492 0.012 . 1 . 64 . . 15 VAL N . 18331 1
179 . 1 1 16 16 ALA H H 1 8.138 0.005 . 1 . 1 . . 16 ALA H . 18331 1
180 . 1 1 16 16 ALA HA H 1 3.804 0.002 . 1 . 343 . . 16 ALA HA . 18331 1
181 . 1 1 16 16 ALA HB1 H 1 1.427 0.006 . 1 . 638 . . 16 ALA HB1 . 18331 1
182 . 1 1 16 16 ALA HB2 H 1 1.427 0.006 . 1 . 638 . . 16 ALA HB2 . 18331 1
183 . 1 1 16 16 ALA HB3 H 1 1.427 0.006 . 1 . 638 . . 16 ALA HB3 . 18331 1
184 . 1 1 16 16 ALA C C 13 179.956 0.1 . 1 . 429 . . 16 ALA C . 18331 1
185 . 1 1 16 16 ALA CA C 13 55.594 0.062 . 1 . 186 . . 16 ALA CA . 18331 1
186 . 1 1 16 16 ALA CB C 13 18.021 0.068 . 1 . 305 . . 16 ALA CB . 18331 1
187 . 1 1 16 16 ALA N N 15 120.194 0.007 . 1 . 2 . . 16 ALA N . 18331 1
188 . 1 1 17 17 GLU H H 1 8.022 0.006 . 1 . 153 . . 17 GLU H . 18331 1
189 . 1 1 17 17 GLU HA H 1 3.942 0.002 . 1 . 344 . . 17 GLU HA . 18331 1
190 . 1 1 17 17 GLU HB2 H 1 1.955 0.001 . 2 . 639 . . 17 GLU HB2 . 18331 1
191 . 1 1 17 17 GLU HB3 H 1 2.095 0.001 . 2 . 640 . . 17 GLU HB3 . 18331 1
192 . 1 1 17 17 GLU HG2 H 1 2.388 0.02 . 2 . 642 . . 17 GLU HG2 . 18331 1
193 . 1 1 17 17 GLU HG3 H 1 2.211 0.02 . 2 . 641 . . 17 GLU HG3 . 18331 1
194 . 1 1 17 17 GLU C C 13 179.707 0.1 . 1 . 430 . . 17 GLU C . 18331 1
195 . 1 1 17 17 GLU CA C 13 58.819 0.049 . 1 . 278 . . 17 GLU CA . 18331 1
196 . 1 1 17 17 GLU CB C 13 29.659 0.081 . 1 . 513 . . 17 GLU CB . 18331 1
197 . 1 1 17 17 GLU CG C 13 36.184 0.1 . 1 . 512 . . 17 GLU CG . 18331 1
198 . 1 1 17 17 GLU N N 15 115.986 0.026 . 1 . 154 . . 17 GLU N . 18331 1
199 . 1 1 18 18 GLN H H 1 8.522 0.006 . 1 . 168 . . 18 GLN H . 18331 1
200 . 1 1 18 18 GLN HA H 1 3.826 0.005 . 1 . 345 . . 18 GLN HA . 18331 1
201 . 1 1 18 18 GLN HB2 H 1 2.087 0.003 . 2 . 644 . . 18 GLN HB2 . 18331 1
202 . 1 1 18 18 GLN HB3 H 1 1.994 0.005 . 2 . 643 . . 18 GLN HB3 . 18331 1
203 . 1 1 18 18 GLN HG2 H 1 2.344 0.006 . 2 . 645 . . 18 GLN HG2 . 18331 1
204 . 1 1 18 18 GLN HG3 H 1 2.338 0.005 . 2 . 903 . . 18 GLN HG3 . 18331 1
205 . 1 1 18 18 GLN HE21 H 1 7.871 0.005 . 1 . 155 . . 18 GLN HE21 . 18331 1
206 . 1 1 18 18 GLN HE22 H 1 6.949 0.002 . 1 . 51 . . 18 GLN HE22 . 18331 1
207 . 1 1 18 18 GLN C C 13 177.488 0.1 . 1 . 431 . . 18 GLN C . 18331 1
208 . 1 1 18 18 GLN CA C 13 57.920 0.065 . 1 . 290 . . 18 GLN CA . 18331 1
209 . 1 1 18 18 GLN CB C 13 28.349 0.065 . 1 . 289 . . 18 GLN CB . 18331 1
210 . 1 1 18 18 GLN CG C 13 34.300 0.058 . 1 . 514 . . 18 GLN CG . 18331 1
211 . 1 1 18 18 GLN CD C 13 177.794 0.1 . 1 . 884 . . 18 GLN CD . 18331 1
212 . 1 1 18 18 GLN N N 15 117.289 0.031 . 1 . 169 . . 18 GLN N . 18331 1
213 . 1 1 18 18 GLN NE2 N 15 113.595 0.058 . 1 . 52 . . 18 GLN NE2 . 18331 1
214 . 1 1 19 19 LEU H H 1 8.022 0.003 . 1 . 180 . . 19 LEU H . 18331 1
215 . 1 1 19 19 LEU HA H 1 4.385 0.006 . 1 . 346 . . 19 LEU HA . 18331 1
216 . 1 1 19 19 LEU HB2 H 1 1.584 0.004 . 2 . 646 . . 19 LEU HB2 . 18331 1
217 . 1 1 19 19 LEU HB3 H 1 1.715 0.002 . 2 . 347 . . 19 LEU HB3 . 18331 1
218 . 1 1 19 19 LEU HG H 1 1.720 0.02 . 1 . 867 . . 19 LEU HG . 18331 1
219 . 1 1 19 19 LEU HD11 H 1 0.644 0.007 . 2 . 648 . . 19 LEU HD11 . 18331 1
220 . 1 1 19 19 LEU HD12 H 1 0.644 0.007 . 2 . 648 . . 19 LEU HD12 . 18331 1
221 . 1 1 19 19 LEU HD13 H 1 0.644 0.007 . 2 . 648 . . 19 LEU HD13 . 18331 1
222 . 1 1 19 19 LEU HD21 H 1 0.807 0.002 . 2 . 647 . . 19 LEU HD21 . 18331 1
223 . 1 1 19 19 LEU HD22 H 1 0.807 0.002 . 2 . 647 . . 19 LEU HD22 . 18331 1
224 . 1 1 19 19 LEU HD23 H 1 0.807 0.002 . 2 . 647 . . 19 LEU HD23 . 18331 1
225 . 1 1 19 19 LEU C C 13 177.270 0.1 . 1 . 432 . . 19 LEU C . 18331 1
226 . 1 1 19 19 LEU CA C 13 54.320 0.029 . 1 . 299 . . 19 LEU CA . 18331 1
227 . 1 1 19 19 LEU CB C 13 40.885 0.012 . 1 . 300 . . 19 LEU CB . 18331 1
228 . 1 1 19 19 LEU CG C 13 27.180 0.1 . 1 . 515 . . 19 LEU CG . 18331 1
229 . 1 1 19 19 LEU CD1 C 13 22.285 0.054 . 2 . 516 . . 19 LEU CD1 . 18331 1
230 . 1 1 19 19 LEU CD2 C 13 27.233 0.1 . 2 . 822 . . 19 LEU CD2 . 18331 1
231 . 1 1 19 19 LEU N N 15 112.941 0.031 . 1 . 181 . . 19 LEU N . 18331 1
232 . 1 1 20 20 GLY H H 1 7.711 0.002 . 1 . 37 . . 20 GLY H . 18331 1
233 . 1 1 20 20 GLY HA2 H 1 3.811 0.02 . 2 . 860 . . 20 GLY HA2 . 18331 1
234 . 1 1 20 20 GLY HA3 H 1 3.857 0.008 . 2 . 348 . . 20 GLY HA3 . 18331 1
235 . 1 1 20 20 GLY C C 13 175.006 0.1 . 1 . 433 . . 20 GLY C . 18331 1
236 . 1 1 20 20 GLY CA C 13 47.134 0.049 . 1 . 201 . . 20 GLY CA . 18331 1
237 . 1 1 20 20 GLY N N 15 109.735 0.052 . 1 . 38 . . 20 GLY N . 18331 1
238 . 1 1 21 21 VAL H H 1 7.560 0.008 . 1 . 23 . . 21 VAL H . 18331 1
239 . 1 1 21 21 VAL HA H 1 4.547 0.004 . 1 . 349 . . 21 VAL HA . 18331 1
240 . 1 1 21 21 VAL HB H 1 2.125 0.003 . 1 . 649 . . 21 VAL HB . 18331 1
241 . 1 1 21 21 VAL HG11 H 1 0.633 0.004 . 2 . 651 . . 21 VAL HG11 . 18331 1
242 . 1 1 21 21 VAL HG12 H 1 0.633 0.004 . 2 . 651 . . 21 VAL HG12 . 18331 1
243 . 1 1 21 21 VAL HG13 H 1 0.633 0.004 . 2 . 651 . . 21 VAL HG13 . 18331 1
244 . 1 1 21 21 VAL HG21 H 1 0.808 0.002 . 2 . 650 . . 21 VAL HG21 . 18331 1
245 . 1 1 21 21 VAL HG22 H 1 0.808 0.002 . 2 . 650 . . 21 VAL HG22 . 18331 1
246 . 1 1 21 21 VAL HG23 H 1 0.808 0.002 . 2 . 650 . . 21 VAL HG23 . 18331 1
247 . 1 1 21 21 VAL C C 13 174.747 0.1 . 1 . 434 . . 21 VAL C . 18331 1
248 . 1 1 21 21 VAL CA C 13 58.689 0.057 . 1 . 196 . . 21 VAL CA . 18331 1
249 . 1 1 21 21 VAL CB C 13 33.869 0.049 . 1 . 314 . . 21 VAL CB . 18331 1
250 . 1 1 21 21 VAL CG1 C 13 19.625 0.062 . 2 . 518 . . 21 VAL CG1 . 18331 1
251 . 1 1 21 21 VAL CG2 C 13 21.623 0.1 . 2 . 517 . . 21 VAL CG2 . 18331 1
252 . 1 1 21 21 VAL N N 15 112.664 0.065 . 1 . 24 . . 21 VAL N . 18331 1
253 . 1 1 22 22 LYS H H 1 8.332 0.006 . 1 . 114 . . 22 LYS H . 18331 1
254 . 1 1 22 22 LYS HA H 1 4.176 0.009 . 1 . 350 . . 22 LYS HA . 18331 1
255 . 1 1 22 22 LYS HB2 H 1 1.568 0.008 . 2 . 654 . . 22 LYS HB2 . 18331 1
256 . 1 1 22 22 LYS HB3 H 1 1.942 0.002 . 2 . 653 . . 22 LYS HB3 . 18331 1
257 . 1 1 22 22 LYS HG2 H 1 1.510 0.007 . 2 . 901 . . 22 LYS HG2 . 18331 1
258 . 1 1 22 22 LYS HG3 H 1 1.416 0.002 . 2 . 842 . . 22 LYS HG3 . 18331 1
259 . 1 1 22 22 LYS HD2 H 1 1.606 0.007 . 1 . 904 . . 22 LYS HD2 . 18331 1
260 . 1 1 22 22 LYS HD3 H 1 1.606 0.007 . 1 . 905 . . 22 LYS HD3 . 18331 1
261 . 1 1 22 22 LYS HE2 H 1 2.917 0.004 . 2 . 839 . . 22 LYS HE2 . 18331 1
262 . 1 1 22 22 LYS HE3 H 1 2.917 0.004 . 2 . 652 . . 22 LYS HE3 . 18331 1
263 . 1 1 22 22 LYS C C 13 178.828 0.1 . 1 . 435 . . 22 LYS C . 18331 1
264 . 1 1 22 22 LYS CA C 13 56.293 0.034 . 1 . 519 . . 22 LYS CA . 18331 1
265 . 1 1 22 22 LYS CB C 13 32.568 0.05 . 1 . 248 . . 22 LYS CB . 18331 1
266 . 1 1 22 22 LYS CG C 13 25.101 0.012 . 1 . 522 . . 22 LYS CG . 18331 1
267 . 1 1 22 22 LYS CD C 13 28.871 0.04 . 1 . 521 . . 22 LYS CD . 18331 1
268 . 1 1 22 22 LYS CE C 13 42.036 0.023 . 1 . 520 . . 22 LYS CE . 18331 1
269 . 1 1 22 22 LYS N N 15 120.609 0.025 . 1 . 115 . . 22 LYS N . 18331 1
270 . 1 1 23 23 GLU H H 1 8.959 0.005 . 1 . 92 . . 23 GLU H . 18331 1
271 . 1 1 23 23 GLU HA H 1 3.619 0.003 . 1 . 657 . . 23 GLU HA . 18331 1
272 . 1 1 23 23 GLU HB2 H 1 1.910 0.005 . 2 . 655 . . 23 GLU HB2 . 18331 1
273 . 1 1 23 23 GLU HB3 H 1 1.905 0.02 . 2 . 843 . . 23 GLU HB3 . 18331 1
274 . 1 1 23 23 GLU HG2 H 1 2.141 0.004 . 2 . 844 . . 23 GLU HG2 . 18331 1
275 . 1 1 23 23 GLU HG3 H 1 2.141 0.003 . 2 . 656 . . 23 GLU HG3 . 18331 1
276 . 1 1 23 23 GLU C C 13 179.113 0.1 . 1 . 436 . . 23 GLU C . 18331 1
277 . 1 1 23 23 GLU CA C 13 60.911 0.054 . 1 . 234 . . 23 GLU CA . 18331 1
278 . 1 1 23 23 GLU CB C 13 29.378 0.036 . 1 . 233 . . 23 GLU CB . 18331 1
279 . 1 1 23 23 GLU CG C 13 36.784 0.015 . 1 . 523 . . 23 GLU CG . 18331 1
280 . 1 1 23 23 GLU N N 15 123.659 0.031 . 1 . 93 . . 23 GLU N . 18331 1
281 . 1 1 24 24 GLU H H 1 9.223 0.008 . 1 . 16 . . 24 GLU H . 18331 1
282 . 1 1 24 24 GLU HA H 1 4.040 0.001 . 1 . 658 . . 24 GLU HA . 18331 1
283 . 1 1 24 24 GLU HB2 H 1 1.937 0.005 . 2 . 660 . . 24 GLU HB2 . 18331 1
284 . 1 1 24 24 GLU HB3 H 1 1.944 0.02 . 2 . 845 . . 24 GLU HB3 . 18331 1
285 . 1 1 24 24 GLU HG2 H 1 2.177 0.001 . 1 . 659 . . 24 GLU HG2 . 18331 1
286 . 1 1 24 24 GLU HG3 H 1 2.177 0.001 . 1 . 846 . . 24 GLU HG3 . 18331 1
287 . 1 1 24 24 GLU C C 13 177.270 0.1 . 1 . 437 . . 24 GLU C . 18331 1
288 . 1 1 24 24 GLU CA C 13 58.566 0.036 . 1 . 193 . . 24 GLU CA . 18331 1
289 . 1 1 24 24 GLU CB C 13 28.555 0.051 . 1 . 311 . . 24 GLU CB . 18331 1
290 . 1 1 24 24 GLU CG C 13 36.185 0.018 . 1 . 524 . . 24 GLU CG . 18331 1
291 . 1 1 24 24 GLU N N 15 116.021 0.017 . 1 . 17 . . 24 GLU N . 18331 1
292 . 1 1 25 25 GLU H H 1 7.740 0.003 . 1 . 82 . . 25 GLU H . 18331 1
293 . 1 1 25 25 GLU HA H 1 4.142 0.005 . 1 . 351 . . 25 GLU HA . 18331 1
294 . 1 1 25 25 GLU HB2 H 1 2.075 0.004 . 2 . 859 . . 25 GLU HB2 . 18331 1
295 . 1 1 25 25 GLU HB3 H 1 2.074 0.004 . 2 . 352 . . 25 GLU HB3 . 18331 1
296 . 1 1 25 25 GLU HG2 H 1 2.167 0.007 . 1 . 801 . . 25 GLU HG2 . 18331 1
297 . 1 1 25 25 GLU HG3 H 1 2.167 0.007 . 1 . 661 . . 25 GLU HG3 . 18331 1
298 . 1 1 25 25 GLU C C 13 176.051 0.1 . 1 . 438 . . 25 GLU C . 18331 1
299 . 1 1 25 25 GLU CA C 13 56.428 0.054 . 1 . 226 . . 25 GLU CA . 18331 1
300 . 1 1 25 25 GLU CB C 13 29.735 0.079 . 1 . 227 . . 25 GLU CB . 18331 1
301 . 1 1 25 25 GLU CG C 13 37.374 0.01 . 1 . 525 . . 25 GLU CG . 18331 1
302 . 1 1 25 25 GLU N N 15 117.104 0.039 . 1 . 83 . . 25 GLU N . 18331 1
303 . 1 1 26 26 VAL H H 1 7.488 0.003 . 1 . 106 . . 26 VAL H . 18331 1
304 . 1 1 26 26 VAL HA H 1 3.673 0.005 . 1 . 353 . . 26 VAL HA . 18331 1
305 . 1 1 26 26 VAL HB H 1 2.280 0.013 . 1 . 354 . . 26 VAL HB . 18331 1
306 . 1 1 26 26 VAL HG11 H 1 0.812 0.002 . 2 . 663 . . 26 VAL HG11 . 18331 1
307 . 1 1 26 26 VAL HG12 H 1 0.812 0.002 . 2 . 663 . . 26 VAL HG12 . 18331 1
308 . 1 1 26 26 VAL HG13 H 1 0.812 0.002 . 2 . 663 . . 26 VAL HG13 . 18331 1
309 . 1 1 26 26 VAL HG21 H 1 0.903 0.006 . 2 . 662 . . 26 VAL HG21 . 18331 1
310 . 1 1 26 26 VAL HG22 H 1 0.903 0.006 . 2 . 662 . . 26 VAL HG22 . 18331 1
311 . 1 1 26 26 VAL HG23 H 1 0.903 0.006 . 2 . 662 . . 26 VAL HG23 . 18331 1
312 . 1 1 26 26 VAL C C 13 174.413 0.1 . 1 . 439 . . 26 VAL C . 18331 1
313 . 1 1 26 26 VAL CA C 13 62.980 0.085 . 1 . 243 . . 26 VAL CA . 18331 1
314 . 1 1 26 26 VAL CB C 13 30.321 0.042 . 1 . 328 . . 26 VAL CB . 18331 1
315 . 1 1 26 26 VAL CG1 C 13 21.866 0.1 . 2 . 527 . . 26 VAL CG1 . 18331 1
316 . 1 1 26 26 VAL CG2 C 13 23.822 0.1 . 2 . 526 . . 26 VAL CG2 . 18331 1
317 . 1 1 26 26 VAL N N 15 121.482 0.04 . 1 . 107 . . 26 VAL N . 18331 1
318 . 1 1 27 27 THR H H 1 7.126 0.006 . 1 . 55 . . 27 THR H . 18331 1
319 . 1 1 27 27 THR HA H 1 4.497 0.003 . 1 . 355 . . 27 THR HA . 18331 1
320 . 1 1 27 27 THR HB H 1 4.366 0.002 . 1 . 665 . . 27 THR HB . 18331 1
321 . 1 1 27 27 THR HG21 H 1 1.091 0.002 . 1 . 664 . . 27 THR HG21 . 18331 1
322 . 1 1 27 27 THR HG22 H 1 1.091 0.002 . 1 . 664 . . 27 THR HG22 . 18331 1
323 . 1 1 27 27 THR HG23 H 1 1.091 0.002 . 1 . 664 . . 27 THR HG23 . 18331 1
324 . 1 1 27 27 THR C C 13 175.298 0.1 . 1 . 440 . . 27 THR C . 18331 1
325 . 1 1 27 27 THR CA C 13 59.728 0.079 . 1 . 208 . . 27 THR CA . 18331 1
326 . 1 1 27 27 THR CB C 13 70.434 0.064 . 1 . 207 . . 27 THR CB . 18331 1
327 . 1 1 27 27 THR CG2 C 13 21.775 0.009 . 1 . 528 . . 27 THR CG2 . 18331 1
328 . 1 1 27 27 THR N N 15 116.230 0.041 . 1 . 56 . . 27 THR N . 18331 1
329 . 1 1 28 28 ASN H H 1 8.560 0.002 . 1 . 67 . . 28 ASN H . 18331 1
330 . 1 1 28 28 ASN HA H 1 3.858 0.02 . 1 . 882 . . 28 ASN HA . 18331 1
331 . 1 1 28 28 ASN HB2 H 1 2.901 0.02 . 2 . 875 . . 28 ASN HB2 . 18331 1
332 . 1 1 28 28 ASN HB3 H 1 2.600 0.02 . 2 . 874 . . 28 ASN HB3 . 18331 1
333 . 1 1 28 28 ASN HD21 H 1 7.075 0.005 . 1 . 75 . . 28 ASN HD21 . 18331 1
334 . 1 1 28 28 ASN HD22 H 1 7.634 0.001 . 1 . 118 . . 28 ASN HD22 . 18331 1
335 . 1 1 28 28 ASN C C 13 175.156 0.1 . 1 . 582 . . 28 ASN C . 18331 1
336 . 1 1 28 28 ASN CA C 13 57.604 0.037 . 1 . 217 . . 28 ASN CA . 18331 1
337 . 1 1 28 28 ASN CB C 13 36.413 0.026 . 1 . 218 . . 28 ASN CB . 18331 1
338 . 1 1 28 28 ASN CG C 13 176.632 0.014 . 1 . 886 . . 28 ASN CG . 18331 1
339 . 1 1 28 28 ASN N N 15 118.803 0.044 . 1 . 68 . . 28 ASN N . 18331 1
340 . 1 1 28 28 ASN ND2 N 15 111.436 0.011 . 1 . 76 . . 28 ASN ND2 . 18331 1
341 . 1 1 29 29 SER H H 1 7.672 0.002 . 1 . 828 . . 29 SER H . 18331 1
342 . 1 1 29 29 SER HA H 1 4.292 0.004 . 1 . 667 . . 29 SER HA . 18331 1
343 . 1 1 29 29 SER HB2 H 1 3.909 0.005 . 2 . 668 . . 29 SER HB2 . 18331 1
344 . 1 1 29 29 SER HB3 H 1 3.693 0.005 . 2 . 666 . . 29 SER HB3 . 18331 1
345 . 1 1 29 29 SER C C 13 174.015 0.1 . 1 . 441 . . 29 SER C . 18331 1
346 . 1 1 29 29 SER CA C 13 57.985 0.067 . 1 . 330 . . 29 SER CA . 18331 1
347 . 1 1 29 29 SER CB C 13 63.725 0.076 . 1 . 189 . . 29 SER CB . 18331 1
348 . 1 1 29 29 SER N N 15 107.953 0.003 . 1 . 3 . . 29 SER N . 18331 1
349 . 1 1 30 30 ALA H H 1 7.177 0.001 . 1 . 110 . . 30 ALA H . 18331 1
350 . 1 1 30 30 ALA HA H 1 4.063 0.008 . 1 . 356 . . 30 ALA HA . 18331 1
351 . 1 1 30 30 ALA HB1 H 1 1.302 0.001 . 1 . 669 . . 30 ALA HB1 . 18331 1
352 . 1 1 30 30 ALA HB2 H 1 1.302 0.001 . 1 . 669 . . 30 ALA HB2 . 18331 1
353 . 1 1 30 30 ALA HB3 H 1 1.302 0.001 . 1 . 669 . . 30 ALA HB3 . 18331 1
354 . 1 1 30 30 ALA C C 13 176.551 0.1 . 1 . 442 . . 30 ALA C . 18331 1
355 . 1 1 30 30 ALA CA C 13 52.911 0.043 . 1 . 245 . . 30 ALA CA . 18331 1
356 . 1 1 30 30 ALA CB C 13 18.245 0.05 . 1 . 246 . . 30 ALA CB . 18331 1
357 . 1 1 30 30 ALA N N 15 124.653 0.027 . 1 . 111 . . 30 ALA N . 18331 1
358 . 1 1 31 31 SER H H 1 9.757 0.002 . 1 . 143 . . 31 SER H . 18331 1
359 . 1 1 31 31 SER HA H 1 4.705 0.008 . 1 . 357 . . 31 SER HA . 18331 1
360 . 1 1 31 31 SER HB2 H 1 3.761 0.008 . 2 . 358 . . 31 SER HB2 . 18331 1
361 . 1 1 31 31 SER HB3 H 1 3.904 0.02 . 2 . 802 . . 31 SER HB3 . 18331 1
362 . 1 1 31 31 SER C C 13 177.501 0.1 . 1 . 443 . . 31 SER C . 18331 1
363 . 1 1 31 31 SER CA C 13 55.842 0.024 . 1 . 272 . . 31 SER CA . 18331 1
364 . 1 1 31 31 SER CB C 13 63.664 0.046 . 1 . 271 . . 31 SER CB . 18331 1
365 . 1 1 31 31 SER N N 15 116.828 0.034 . 1 . 144 . . 31 SER N . 18331 1
366 . 1 1 32 32 PHE H H 1 7.557 0.003 . 1 . 127 . . 32 PHE H . 18331 1
367 . 1 1 32 32 PHE HA H 1 4.111 0.006 . 1 . 673 . . 32 PHE HA . 18331 1
368 . 1 1 32 32 PHE HB2 H 1 2.891 0.004 . 2 . 672 . . 32 PHE HB2 . 18331 1
369 . 1 1 32 32 PHE HB3 H 1 2.947 0.013 . 2 . 671 . . 32 PHE HB3 . 18331 1
370 . 1 1 32 32 PHE HD1 H 1 6.949 0.003 . 3 . 784 . . 32 PHE HD1 . 18331 1
371 . 1 1 32 32 PHE HD2 H 1 6.949 0.003 . 3 . 784 . . 32 PHE HD2 . 18331 1
372 . 1 1 32 32 PHE HE1 H 1 6.643 0.002 . 3 . 900 . . 32 PHE HE1 . 18331 1
373 . 1 1 32 32 PHE HE2 H 1 6.643 0.002 . 3 . 900 . . 32 PHE HE2 . 18331 1
374 . 1 1 32 32 PHE C C 13 176.231 0.1 . 1 . 444 . . 32 PHE C . 18331 1
375 . 1 1 32 32 PHE CA C 13 60.267 0.065 . 1 . 256 . . 32 PHE CA . 18331 1
376 . 1 1 32 32 PHE CB C 13 37.239 0.021 . 1 . 257 . . 32 PHE CB . 18331 1
377 . 1 1 32 32 PHE N N 15 126.427 0.035 . 1 . 128 . . 32 PHE N . 18331 1
378 . 1 1 33 33 VAL H H 1 8.688 0.005 . 1 . 166 . . 33 VAL H . 18331 1
379 . 1 1 33 33 VAL HA H 1 4.098 0.004 . 1 . 359 . . 33 VAL HA . 18331 1
380 . 1 1 33 33 VAL HB H 1 1.920 0.006 . 1 . 360 . . 33 VAL HB . 18331 1
381 . 1 1 33 33 VAL HG11 H 1 0.856 0.001 . 2 . 675 . . 33 VAL HG11 . 18331 1
382 . 1 1 33 33 VAL HG12 H 1 0.856 0.001 . 2 . 675 . . 33 VAL HG12 . 18331 1
383 . 1 1 33 33 VAL HG13 H 1 0.856 0.001 . 2 . 675 . . 33 VAL HG13 . 18331 1
384 . 1 1 33 33 VAL HG21 H 1 0.913 0.003 . 2 . 674 . . 33 VAL HG21 . 18331 1
385 . 1 1 33 33 VAL HG22 H 1 0.913 0.003 . 2 . 674 . . 33 VAL HG22 . 18331 1
386 . 1 1 33 33 VAL HG23 H 1 0.913 0.003 . 2 . 674 . . 33 VAL HG23 . 18331 1
387 . 1 1 33 33 VAL C C 13 178.756 0.1 . 1 . 445 . . 33 VAL C . 18331 1
388 . 1 1 33 33 VAL CA C 13 65.117 0.078 . 1 . 288 . . 33 VAL CA . 18331 1
389 . 1 1 33 33 VAL CB C 13 32.512 0.07 . 1 . 287 . . 33 VAL CB . 18331 1
390 . 1 1 33 33 VAL CG1 C 13 20.398 0.076 . 2 . 530 . . 33 VAL CG1 . 18331 1
391 . 1 1 33 33 VAL CG2 C 13 21.531 0.1 . 2 . 529 . . 33 VAL CG2 . 18331 1
392 . 1 1 33 33 VAL N N 15 116.444 0.025 . 1 . 167 . . 33 VAL N . 18331 1
393 . 1 1 34 34 GLU H H 1 8.137 0.003 . 1 . 178 . . 34 GLU H . 18331 1
394 . 1 1 34 34 GLU HA H 1 3.959 0.007 . 1 . 676 . . 34 GLU HA . 18331 1
395 . 1 1 34 34 GLU HB2 H 1 1.830 0.001 . 2 . 679 . . 34 GLU HB2 . 18331 1
396 . 1 1 34 34 GLU HB3 H 1 1.936 0.022 . 2 . 678 . . 34 GLU HB3 . 18331 1
397 . 1 1 34 34 GLU HG2 H 1 2.235 0.006 . 2 . 677 . . 34 GLU HG2 . 18331 1
398 . 1 1 34 34 GLU HG3 H 1 2.235 0.02 . 2 . 847 . . 34 GLU HG3 . 18331 1
399 . 1 1 34 34 GLU C C 13 177.535 0.1 . 1 . 446 . . 34 GLU C . 18331 1
400 . 1 1 34 34 GLU CA C 13 60.102 0.066 . 1 . 298 . . 34 GLU CA . 18331 1
401 . 1 1 34 34 GLU CB C 13 29.454 0.046 . 1 . 297 . . 34 GLU CB . 18331 1
402 . 1 1 34 34 GLU CG C 13 36.764 0.041 . 1 . 531 . . 34 GLU CG . 18331 1
403 . 1 1 34 34 GLU N N 15 116.354 0.07 . 1 . 179 . . 34 GLU N . 18331 1
404 . 1 1 35 35 ASP H H 1 7.818 0.001 . 1 . 35 . . 35 ASP H . 18331 1
405 . 1 1 35 35 ASP HA H 1 4.912 0.004 . 1 . 361 . . 35 ASP HA . 18331 1
406 . 1 1 35 35 ASP HB2 H 1 2.659 0.001 . 2 . 363 . . 35 ASP HB2 . 18331 1
407 . 1 1 35 35 ASP HB3 H 1 3.054 0.004 . 2 . 362 . . 35 ASP HB3 . 18331 1
408 . 1 1 35 35 ASP C C 13 177.607 0.1 . 1 . 447 . . 35 ASP C . 18331 1
409 . 1 1 35 35 ASP CA C 13 56.266 0.083 . 1 . 200 . . 35 ASP CA . 18331 1
410 . 1 1 35 35 ASP CB C 13 42.119 0.029 . 1 . 318 . . 35 ASP CB . 18331 1
411 . 1 1 35 35 ASP N N 15 113.628 0.052 . 1 . 36 . . 35 ASP N . 18331 1
412 . 1 1 36 36 LEU H H 1 7.157 0.002 . 1 . 174 . . 36 LEU H . 18331 1
413 . 1 1 36 36 LEU HA H 1 4.516 0.001 . 1 . 364 . . 36 LEU HA . 18331 1
414 . 1 1 36 36 LEU HB2 H 1 1.629 0.004 . 2 . 366 . . 36 LEU HB2 . 18331 1
415 . 1 1 36 36 LEU HB3 H 1 2.259 0.005 . 2 . 365 . . 36 LEU HB3 . 18331 1
416 . 1 1 36 36 LEU HG H 1 1.440 0.02 . 1 . 831 . . 36 LEU HG . 18331 1
417 . 1 1 36 36 LEU HD11 H 1 0.733 0.017 . 2 . 832 . . 36 LEU HD11 . 18331 1
418 . 1 1 36 36 LEU HD12 H 1 0.733 0.017 . 2 . 832 . . 36 LEU HD12 . 18331 1
419 . 1 1 36 36 LEU HD13 H 1 0.733 0.017 . 2 . 832 . . 36 LEU HD13 . 18331 1
420 . 1 1 36 36 LEU HD21 H 1 0.723 0.018 . 2 . 907 . . 36 LEU HD21 . 18331 1
421 . 1 1 36 36 LEU HD22 H 1 0.723 0.018 . 2 . 907 . . 36 LEU HD22 . 18331 1
422 . 1 1 36 36 LEU HD23 H 1 0.723 0.018 . 2 . 907 . . 36 LEU HD23 . 18331 1
423 . 1 1 36 36 LEU C C 13 176.980 0.1 . 1 . 581 . . 36 LEU C . 18331 1
424 . 1 1 36 36 LEU CA C 13 54.499 0.043 . 1 . 295 . . 36 LEU CA . 18331 1
425 . 1 1 36 36 LEU CB C 13 42.146 0.038 . 1 . 329 . . 36 LEU CB . 18331 1
426 . 1 1 36 36 LEU CG C 13 26.666 0.1 . 1 . 594 . . 36 LEU CG . 18331 1
427 . 1 1 36 36 LEU CD1 C 13 22.290 0.012 . 2 . 595 . . 36 LEU CD1 . 18331 1
428 . 1 1 36 36 LEU CD2 C 13 26.752 0.1 . 2 . 906 . . 36 LEU CD2 . 18331 1
429 . 1 1 36 36 LEU N N 15 115.419 0.04 . 1 . 175 . . 36 LEU N . 18331 1
430 . 1 1 37 37 GLY H H 1 7.236 0.001 . 1 . 139 . . 37 GLY H . 18331 1
431 . 1 1 37 37 GLY HA2 H 1 3.799 0.008 . 2 . 861 . . 37 GLY HA2 . 18331 1
432 . 1 1 37 37 GLY HA3 H 1 3.848 0.02 . 2 . 680 . . 37 GLY HA3 . 18331 1
433 . 1 1 37 37 GLY C C 13 174.398 0.1 . 1 . 448 . . 37 GLY C . 18331 1
434 . 1 1 37 37 GLY CA C 13 46.679 0.035 . 1 . 268 . . 37 GLY CA . 18331 1
435 . 1 1 37 37 GLY N N 15 106.550 0.159 . 1 . 140 . . 37 GLY N . 18331 1
436 . 1 1 38 38 ALA H H 1 8.495 0.001 . 1 . 45 . . 38 ALA H . 18331 1
437 . 1 1 38 38 ALA HA H 1 4.417 0.004 . 1 . 367 . . 38 ALA HA . 18331 1
438 . 1 1 38 38 ALA HB1 H 1 1.116 0.004 . 1 . 368 . . 38 ALA HB1 . 18331 1
439 . 1 1 38 38 ALA HB2 H 1 1.116 0.004 . 1 . 368 . . 38 ALA HB2 . 18331 1
440 . 1 1 38 38 ALA HB3 H 1 1.116 0.004 . 1 . 368 . . 38 ALA HB3 . 18331 1
441 . 1 1 38 38 ALA C C 13 177.389 0.1 . 1 . 449 . . 38 ALA C . 18331 1
442 . 1 1 38 38 ALA CA C 13 52.519 0.072 . 1 . 204 . . 38 ALA CA . 18331 1
443 . 1 1 38 38 ALA CB C 13 20.072 0.052 . 1 . 321 . . 38 ALA CB . 18331 1
444 . 1 1 38 38 ALA N N 15 122.935 0.065 . 1 . 46 . . 38 ALA N . 18331 1
445 . 1 1 39 39 ASP H H 1 9.112 0.004 . 1 . 133 . . 39 ASP H . 18331 1
446 . 1 1 39 39 ASP HA H 1 4.861 0.007 . 1 . 369 . . 39 ASP HA . 18331 1
447 . 1 1 39 39 ASP HB2 H 1 2.707 0.004 . 2 . 371 . . 39 ASP HB2 . 18331 1
448 . 1 1 39 39 ASP HB3 H 1 3.127 0.009 . 2 . 370 . . 39 ASP HB3 . 18331 1
449 . 1 1 39 39 ASP C C 13 177.287 0.1 . 1 . 450 . . 39 ASP C . 18331 1
450 . 1 1 39 39 ASP CA C 13 51.775 0.098 . 1 . 262 . . 39 ASP CA . 18331 1
451 . 1 1 39 39 ASP CB C 13 41.854 0.051 . 1 . 263 . . 39 ASP CB . 18331 1
452 . 1 1 39 39 ASP N N 15 121.972 0.078 . 1 . 134 . . 39 ASP N . 18331 1
453 . 1 1 40 40 SER H H 1 8.546 0.005 . 1 . 131 . . 40 SER H . 18331 1
454 . 1 1 40 40 SER HA H 1 4.228 0.005 . 1 . 372 . . 40 SER HA . 18331 1
455 . 1 1 40 40 SER HB2 H 1 4.106 0.003 . 2 . 681 . . 40 SER HB2 . 18331 1
456 . 1 1 40 40 SER HB3 H 1 4.047 0.001 . 2 . 682 . . 40 SER HB3 . 18331 1
457 . 1 1 40 40 SER C C 13 175.883 0.1 . 1 . 451 . . 40 SER C . 18331 1
458 . 1 1 40 40 SER CA C 13 60.302 0.062 . 1 . 260 . . 40 SER CA . 18331 1
459 . 1 1 40 40 SER CB C 13 65.793 0.032 . 1 . 261 . . 40 SER CB . 18331 1
460 . 1 1 40 40 SER N N 15 112.556 0.027 . 1 . 132 . . 40 SER N . 18331 1
461 . 1 1 41 41 LEU H H 1 7.944 0.004 . 1 . 73 . . 41 LEU H . 18331 1
462 . 1 1 41 41 LEU HA H 1 4.179 0.005 . 1 . 373 . . 41 LEU HA . 18331 1
463 . 1 1 41 41 LEU HB2 H 1 1.649 0.011 . 2 . 374 . . 41 LEU HB2 . 18331 1
464 . 1 1 41 41 LEU HB3 H 1 1.639 0.001 . 2 . 821 . . 41 LEU HB3 . 18331 1
465 . 1 1 41 41 LEU HG H 1 1.529 0.002 . 1 . 683 . . 41 LEU HG . 18331 1
466 . 1 1 41 41 LEU HD11 H 1 0.831 0.015 . 2 . 908 . . 41 LEU HD11 . 18331 1
467 . 1 1 41 41 LEU HD12 H 1 0.831 0.015 . 2 . 908 . . 41 LEU HD12 . 18331 1
468 . 1 1 41 41 LEU HD13 H 1 0.831 0.015 . 2 . 908 . . 41 LEU HD13 . 18331 1
469 . 1 1 41 41 LEU HD21 H 1 0.830 0.01 . 2 . 911 . . 41 LEU HD21 . 18331 1
470 . 1 1 41 41 LEU HD22 H 1 0.830 0.01 . 2 . 911 . . 41 LEU HD22 . 18331 1
471 . 1 1 41 41 LEU HD23 H 1 0.830 0.01 . 2 . 911 . . 41 LEU HD23 . 18331 1
472 . 1 1 41 41 LEU C C 13 178.829 0.1 . 1 . 452 . . 41 LEU C . 18331 1
473 . 1 1 41 41 LEU CA C 13 57.555 0.04 . 1 . 220 . . 41 LEU CA . 18331 1
474 . 1 1 41 41 LEU CB C 13 41.035 0.02 . 1 . 221 . . 41 LEU CB . 18331 1
475 . 1 1 41 41 LEU CG C 13 27.200 0.033 . 1 . 533 . . 41 LEU CG . 18331 1
476 . 1 1 41 41 LEU CD1 C 13 24.137 0.006 . 1 . 909 . . 41 LEU CD1 . 18331 1
477 . 1 1 41 41 LEU CD2 C 13 24.137 0.006 . 1 . 910 . . 41 LEU CD2 . 18331 1
478 . 1 1 41 41 LEU N N 15 124.336 0.042 . 1 . 74 . . 41 LEU N . 18331 1
479 . 1 1 42 42 ASP H H 1 8.453 0.009 . 1 . 129 . . 42 ASP H . 18331 1
480 . 1 1 42 42 ASP HA H 1 4.264 0.015 . 1 . 375 . . 42 ASP HA . 18331 1
481 . 1 1 42 42 ASP HB2 H 1 2.317 0.005 . 2 . 685 . . 42 ASP HB2 . 18331 1
482 . 1 1 42 42 ASP HB3 H 1 2.961 0.013 . 2 . 684 . . 42 ASP HB3 . 18331 1
483 . 1 1 42 42 ASP C C 13 179.478 0.1 . 1 . 453 . . 42 ASP C . 18331 1
484 . 1 1 42 42 ASP CA C 13 57.219 0.068 . 1 . 258 . . 42 ASP CA . 18331 1
485 . 1 1 42 42 ASP CB C 13 41.285 0.045 . 1 . 259 . . 42 ASP CB . 18331 1
486 . 1 1 42 42 ASP N N 15 119.910 0.056 . 1 . 130 . . 42 ASP N . 18331 1
487 . 1 1 43 43 THR H H 1 8.054 0.003 . 1 . 116 . . 43 THR H . 18331 1
488 . 1 1 43 43 THR HA H 1 3.590 0.003 . 1 . 376 . . 43 THR HA . 18331 1
489 . 1 1 43 43 THR HB H 1 4.175 0.008 . 1 . 687 . . 43 THR HB . 18331 1
490 . 1 1 43 43 THR HG21 H 1 1.073 0.001 . 1 . 686 . . 43 THR HG21 . 18331 1
491 . 1 1 43 43 THR HG22 H 1 1.073 0.001 . 1 . 686 . . 43 THR HG22 . 18331 1
492 . 1 1 43 43 THR HG23 H 1 1.073 0.001 . 1 . 686 . . 43 THR HG23 . 18331 1
493 . 1 1 43 43 THR C C 13 175.835 0.1 . 1 . 454 . . 43 THR C . 18331 1
494 . 1 1 43 43 THR CA C 13 66.861 0.062 . 1 . 249 . . 43 THR CA . 18331 1
495 . 1 1 43 43 THR CB C 13 67.832 0.023 . 1 . 331 . . 43 THR CB . 18331 1
496 . 1 1 43 43 THR CG2 C 13 22.182 0.026 . 1 . 534 . . 43 THR CG2 . 18331 1
497 . 1 1 43 43 THR N N 15 111.910 0.021 . 1 . 117 . . 43 THR N . 18331 1
498 . 1 1 44 44 VAL H H 1 7.096 0.003 . 1 . 29 . . 44 VAL H . 18331 1
499 . 1 1 44 44 VAL HA H 1 3.603 0.005 . 1 . 377 . . 44 VAL HA . 18331 1
500 . 1 1 44 44 VAL HB H 1 2.168 0.007 . 1 . 378 . . 44 VAL HB . 18331 1
501 . 1 1 44 44 VAL HG11 H 1 0.900 0.003 . 2 . 689 . . 44 VAL HG11 . 18331 1
502 . 1 1 44 44 VAL HG12 H 1 0.900 0.003 . 2 . 689 . . 44 VAL HG12 . 18331 1
503 . 1 1 44 44 VAL HG13 H 1 0.900 0.003 . 2 . 689 . . 44 VAL HG13 . 18331 1
504 . 1 1 44 44 VAL HG21 H 1 1.030 0.003 . 2 . 688 . . 44 VAL HG21 . 18331 1
505 . 1 1 44 44 VAL HG22 H 1 1.030 0.003 . 2 . 688 . . 44 VAL HG22 . 18331 1
506 . 1 1 44 44 VAL HG23 H 1 1.030 0.003 . 2 . 688 . . 44 VAL HG23 . 18331 1
507 . 1 1 44 44 VAL C C 13 178.710 0.1 . 1 . 455 . . 44 VAL C . 18331 1
508 . 1 1 44 44 VAL CA C 13 66.430 0.09 . 1 . 198 . . 44 VAL CA . 18331 1
509 . 1 1 44 44 VAL CB C 13 31.794 0.065 . 1 . 316 . . 44 VAL CB . 18331 1
510 . 1 1 44 44 VAL CG1 C 13 20.908 0.1 . 2 . 536 . . 44 VAL CG1 . 18331 1
511 . 1 1 44 44 VAL CG2 C 13 22.584 0.052 . 2 . 535 . . 44 VAL CG2 . 18331 1
512 . 1 1 44 44 VAL N N 15 121.963 0.046 . 1 . 30 . . 44 VAL N . 18331 1
513 . 1 1 45 45 GLU H H 1 7.840 0.008 . 1 . 80 . . 45 GLU H . 18331 1
514 . 1 1 45 45 GLU HA H 1 3.929 0.001 . 1 . 379 . . 45 GLU HA . 18331 1
515 . 1 1 45 45 GLU HB2 H 1 2.197 0.016 . 2 . 691 . . 45 GLU HB2 . 18331 1
516 . 1 1 45 45 GLU HB3 H 1 2.018 0.001 . 2 . 690 . . 45 GLU HB3 . 18331 1
517 . 1 1 45 45 GLU HG2 H 1 2.440 0.004 . 2 . 692 . . 45 GLU HG2 . 18331 1
518 . 1 1 45 45 GLU HG3 H 1 2.444 0.02 . 2 . 848 . . 45 GLU HG3 . 18331 1
519 . 1 1 45 45 GLU C C 13 179.329 0.1 . 1 . 456 . . 45 GLU C . 18331 1
520 . 1 1 45 45 GLU CA C 13 59.341 0.059 . 1 . 225 . . 45 GLU CA . 18331 1
521 . 1 1 45 45 GLU CB C 13 28.614 0.054 . 1 . 224 . . 45 GLU CB . 18331 1
522 . 1 1 45 45 GLU CG C 13 36.049 0.01 . 1 . 537 . . 45 GLU CG . 18331 1
523 . 1 1 45 45 GLU N N 15 119.011 0.047 . 1 . 81 . . 45 GLU N . 18331 1
524 . 1 1 46 46 LEU H H 1 8.336 0.008 . 1 . 145 . . 46 LEU H . 18331 1
525 . 1 1 46 46 LEU HA H 1 3.779 0.004 . 1 . 695 . . 46 LEU HA . 18331 1
526 . 1 1 46 46 LEU HB2 H 1 1.589 0.004 . 2 . 697 . . 46 LEU HB2 . 18331 1
527 . 1 1 46 46 LEU HB3 H 1 1.352 0.003 . 2 . 694 . . 46 LEU HB3 . 18331 1
528 . 1 1 46 46 LEU HG H 1 1.197 0.001 . 1 . 693 . . 46 LEU HG . 18331 1
529 . 1 1 46 46 LEU HD11 H 1 0.086 0.01 . 2 . 698 . . 46 LEU HD11 . 18331 1
530 . 1 1 46 46 LEU HD12 H 1 0.086 0.01 . 2 . 698 . . 46 LEU HD12 . 18331 1
531 . 1 1 46 46 LEU HD13 H 1 0.086 0.01 . 2 . 698 . . 46 LEU HD13 . 18331 1
532 . 1 1 46 46 LEU HD21 H 1 0.425 0.005 . 2 . 696 . . 46 LEU HD21 . 18331 1
533 . 1 1 46 46 LEU HD22 H 1 0.425 0.005 . 2 . 696 . . 46 LEU HD22 . 18331 1
534 . 1 1 46 46 LEU HD23 H 1 0.425 0.005 . 2 . 696 . . 46 LEU HD23 . 18331 1
535 . 1 1 46 46 LEU C C 13 177.731 0.1 . 1 . 457 . . 46 LEU C . 18331 1
536 . 1 1 46 46 LEU CA C 13 58.366 0.063 . 1 . 273 . . 46 LEU CA . 18331 1
537 . 1 1 46 46 LEU CB C 13 41.792 0.032 . 1 . 274 . . 46 LEU CB . 18331 1
538 . 1 1 46 46 LEU CG C 13 27.223 0.006 . 1 . 538 . . 46 LEU CG . 18331 1
539 . 1 1 46 46 LEU CD1 C 13 24.874 0.1 . 2 . 902 . . 46 LEU CD1 . 18331 1
540 . 1 1 46 46 LEU CD2 C 13 24.640 0.025 . 2 . 539 . . 46 LEU CD2 . 18331 1
541 . 1 1 46 46 LEU N N 15 122.015 0.079 . 1 . 146 . . 46 LEU N . 18331 1
542 . 1 1 47 47 VAL H H 1 7.883 0.006 . 1 . 21 . . 47 VAL H . 18331 1
543 . 1 1 47 47 VAL HA H 1 3.284 0.002 . 1 . 381 . . 47 VAL HA . 18331 1
544 . 1 1 47 47 VAL HB H 1 2.096 0.003 . 1 . 699 . . 47 VAL HB . 18331 1
545 . 1 1 47 47 VAL HG11 H 1 0.778 0.002 . 2 . 701 . . 47 VAL HG11 . 18331 1
546 . 1 1 47 47 VAL HG12 H 1 0.778 0.002 . 2 . 701 . . 47 VAL HG12 . 18331 1
547 . 1 1 47 47 VAL HG13 H 1 0.778 0.002 . 2 . 701 . . 47 VAL HG13 . 18331 1
548 . 1 1 47 47 VAL HG21 H 1 0.892 0.002 . 2 . 700 . . 47 VAL HG21 . 18331 1
549 . 1 1 47 47 VAL HG22 H 1 0.892 0.002 . 2 . 700 . . 47 VAL HG22 . 18331 1
550 . 1 1 47 47 VAL HG23 H 1 0.892 0.002 . 2 . 700 . . 47 VAL HG23 . 18331 1
551 . 1 1 47 47 VAL C C 13 177.997 0.1 . 1 . 458 . . 47 VAL C . 18331 1
552 . 1 1 47 47 VAL CA C 13 67.988 0.077 . 1 . 195 . . 47 VAL CA . 18331 1
553 . 1 1 47 47 VAL CB C 13 31.161 0.036 . 1 . 313 . . 47 VAL CB . 18331 1
554 . 1 1 47 47 VAL CG1 C 13 21.478 0.1 . 2 . 541 . . 47 VAL CG1 . 18331 1
555 . 1 1 47 47 VAL CG2 C 13 23.299 0.08 . 2 . 540 . . 47 VAL CG2 . 18331 1
556 . 1 1 47 47 VAL N N 15 119.562 0.015 . 1 . 22 . . 47 VAL N . 18331 1
557 . 1 1 48 48 MET H H 1 7.747 0.013 . 1 . 164 . . 48 MET H . 18331 1
558 . 1 1 48 48 MET HA H 1 4.300 0.009 . 1 . 382 . . 48 MET HA . 18331 1
559 . 1 1 48 48 MET HB2 H 1 2.063 0.007 . 2 . 704 . . 48 MET HB2 . 18331 1
560 . 1 1 48 48 MET HB3 H 1 2.075 0.02 . 2 . 868 . . 48 MET HB3 . 18331 1
561 . 1 1 48 48 MET HG2 H 1 2.478 0.001 . 2 . 703 . . 48 MET HG2 . 18331 1
562 . 1 1 48 48 MET HG3 H 1 2.678 0.002 . 2 . 702 . . 48 MET HG3 . 18331 1
563 . 1 1 48 48 MET HE1 H 1 2.027 0.02 . 1 . 811 . . 48 MET HE1 . 18331 1
564 . 1 1 48 48 MET HE2 H 1 2.027 0.02 . 1 . 811 . . 48 MET HE2 . 18331 1
565 . 1 1 48 48 MET HE3 H 1 2.027 0.02 . 1 . 811 . . 48 MET HE3 . 18331 1
566 . 1 1 48 48 MET C C 13 178.768 0.1 . 1 . 459 . . 48 MET C . 18331 1
567 . 1 1 48 48 MET CA C 13 59.264 0.066 . 1 . 285 . . 48 MET CA . 18331 1
568 . 1 1 48 48 MET CB C 13 32.818 0.065 . 1 . 286 . . 48 MET CB . 18331 1
569 . 1 1 48 48 MET CG C 13 32.129 0.053 . 1 . 542 . . 48 MET CG . 18331 1
570 . 1 1 48 48 MET CE C 13 16.889 0.1 . 1 . 812 . . 48 MET CE . 18331 1
571 . 1 1 48 48 MET N N 15 117.605 0.03 . 1 . 165 . . 48 MET N . 18331 1
572 . 1 1 49 49 ALA H H 1 8.009 0.006 . 1 . 184 . . 49 ALA H . 18331 1
573 . 1 1 49 49 ALA HA H 1 4.174 0.002 . 1 . 383 . . 49 ALA HA . 18331 1
574 . 1 1 49 49 ALA HB1 H 1 1.426 0.002 . 1 . 384 . . 49 ALA HB1 . 18331 1
575 . 1 1 49 49 ALA HB2 H 1 1.426 0.002 . 1 . 384 . . 49 ALA HB2 . 18331 1
576 . 1 1 49 49 ALA HB3 H 1 1.426 0.002 . 1 . 384 . . 49 ALA HB3 . 18331 1
577 . 1 1 49 49 ALA C C 13 181.453 0.1 . 1 . 912 . . 49 ALA C . 18331 1
578 . 1 1 49 49 ALA CA C 13 54.929 0.082 . 1 . 303 . . 49 ALA CA . 18331 1
579 . 1 1 49 49 ALA CB C 13 18.266 0.051 . 1 . 304 . . 49 ALA CB . 18331 1
580 . 1 1 49 49 ALA N N 15 122.168 0.011 . 1 . 185 . . 49 ALA N . 18331 1
581 . 1 1 50 50 LEU H H 1 8.365 0.004 . 1 . 14 . . 50 LEU H . 18331 1
582 . 1 1 50 50 LEU HA H 1 4.128 0.007 . 1 . 385 . . 50 LEU HA . 18331 1
583 . 1 1 50 50 LEU HB2 H 1 2.216 0.004 . 2 . 709 . . 50 LEU HB2 . 18331 1
584 . 1 1 50 50 LEU HB3 H 1 1.234 0.003 . 2 . 707 . . 50 LEU HB3 . 18331 1
585 . 1 1 50 50 LEU HG H 1 1.967 0.003 . 1 . 708 . . 50 LEU HG . 18331 1
586 . 1 1 50 50 LEU HD11 H 1 0.631 0.002 . 2 . 705 . . 50 LEU HD11 . 18331 1
587 . 1 1 50 50 LEU HD12 H 1 0.631 0.002 . 2 . 705 . . 50 LEU HD12 . 18331 1
588 . 1 1 50 50 LEU HD13 H 1 0.631 0.002 . 2 . 705 . . 50 LEU HD13 . 18331 1
589 . 1 1 50 50 LEU HD21 H 1 0.934 0.002 . 2 . 706 . . 50 LEU HD21 . 18331 1
590 . 1 1 50 50 LEU HD22 H 1 0.934 0.002 . 2 . 706 . . 50 LEU HD22 . 18331 1
591 . 1 1 50 50 LEU HD23 H 1 0.934 0.002 . 2 . 706 . . 50 LEU HD23 . 18331 1
592 . 1 1 50 50 LEU C C 13 178.773 0.1 . 1 . 460 . . 50 LEU C . 18331 1
593 . 1 1 50 50 LEU CA C 13 58.234 0.073 . 1 . 192 . . 50 LEU CA . 18331 1
594 . 1 1 50 50 LEU CB C 13 42.092 0.02 . 1 . 310 . . 50 LEU CB . 18331 1
595 . 1 1 50 50 LEU CG C 13 26.264 0.1 . 1 . 545 . . 50 LEU CG . 18331 1
596 . 1 1 50 50 LEU CD1 C 13 25.300 0.1 . 2 . 543 . . 50 LEU CD1 . 18331 1
597 . 1 1 50 50 LEU CD2 C 13 23.998 0.1 . 2 . 544 . . 50 LEU CD2 . 18331 1
598 . 1 1 50 50 LEU N N 15 120.289 0.059 . 1 . 15 . . 50 LEU N . 18331 1
599 . 1 1 51 51 GLU H H 1 8.491 0.001 . 1 . 151 . . 51 GLU H . 18331 1
600 . 1 1 51 51 GLU HA H 1 4.002 0.006 . 1 . 386 . . 51 GLU HA . 18331 1
601 . 1 1 51 51 GLU HB2 H 1 2.378 0.02 . 2 . 871 . . 51 GLU HB2 . 18331 1
602 . 1 1 51 51 GLU HB3 H 1 1.994 0.009 . 2 . 856 . . 51 GLU HB3 . 18331 1
603 . 1 1 51 51 GLU HG2 H 1 2.364 0.02 . 1 . 893 . . 51 GLU HG2 . 18331 1
604 . 1 1 51 51 GLU HG3 H 1 2.364 0.02 . 1 . 892 . . 51 GLU HG3 . 18331 1
605 . 1 1 51 51 GLU CA C 13 59.832 0.1 . 1 . 277 . . 51 GLU CA . 18331 1
606 . 1 1 51 51 GLU CB C 13 29.830 0.036 . 1 . 276 . . 51 GLU CB . 18331 1
607 . 1 1 51 51 GLU N N 15 119.172 0.042 . 1 . 152 . . 51 GLU N . 18331 1
608 . 1 1 52 52 GLU HA H 1 4.002 0.001 . 1 . 710 . . 52 GLU HA . 18331 1
609 . 1 1 52 52 GLU HB2 H 1 2.017 0.014 . 2 . 711 . . 52 GLU HB2 . 18331 1
610 . 1 1 52 52 GLU HB3 H 1 2.003 0.02 . 2 . 858 . . 52 GLU HB3 . 18331 1
611 . 1 1 52 52 GLU HG2 H 1 2.183 0.006 . 2 . 713 . . 52 GLU HG2 . 18331 1
612 . 1 1 52 52 GLU HG3 H 1 2.290 0.001 . 2 . 712 . . 52 GLU HG3 . 18331 1
613 . 1 1 52 52 GLU C C 13 178.963 0.1 . 1 . 589 . . 52 GLU C . 18331 1
614 . 1 1 52 52 GLU CA C 13 58.778 0.04 . 1 . 588 . . 52 GLU CA . 18331 1
615 . 1 1 52 52 GLU CB C 13 29.759 0.03 . 1 . 586 . . 52 GLU CB . 18331 1
616 . 1 1 52 52 GLU CG C 13 35.743 0.014 . 1 . 596 . . 52 GLU CG . 18331 1
617 . 1 1 53 53 GLU H H 1 7.967 0.009 . 1 . 156 . . 53 GLU H . 18331 1
618 . 1 1 53 53 GLU HA H 1 3.867 0.003 . 1 . 714 . . 53 GLU HA . 18331 1
619 . 1 1 53 53 GLU HB2 H 1 1.377 0.004 . 2 . 717 . . 53 GLU HB2 . 18331 1
620 . 1 1 53 53 GLU HB3 H 1 1.948 0.004 . 2 . 715 . . 53 GLU HB3 . 18331 1
621 . 1 1 53 53 GLU HG2 H 1 0.567 0.002 . 2 . 718 . . 53 GLU HG2 . 18331 1
622 . 1 1 53 53 GLU HG3 H 1 1.566 0.001 . 2 . 716 . . 53 GLU HG3 . 18331 1
623 . 1 1 53 53 GLU C C 13 177.273 0.1 . 1 . 590 . . 53 GLU C . 18331 1
624 . 1 1 53 53 GLU CA C 13 58.381 0.076 . 1 . 587 . . 53 GLU CA . 18331 1
625 . 1 1 53 53 GLU CB C 13 29.133 0.051 . 1 . 585 . . 53 GLU CB . 18331 1
626 . 1 1 53 53 GLU CG C 13 34.088 0.023 . 1 . 597 . . 53 GLU CG . 18331 1
627 . 1 1 53 53 GLU N N 15 119.108 0.078 . 1 . 157 . . 53 GLU N . 18331 1
628 . 1 1 54 54 PHE H H 1 7.776 0.006 . 1 . 104 . . 54 PHE H . 18331 1
629 . 1 1 54 54 PHE HA H 1 4.509 0.006 . 1 . 719 . . 54 PHE HA . 18331 1
630 . 1 1 54 54 PHE HB2 H 1 3.350 0.011 . 2 . 720 . . 54 PHE HB2 . 18331 1
631 . 1 1 54 54 PHE HB3 H 1 2.631 0.006 . 2 . 721 . . 54 PHE HB3 . 18331 1
632 . 1 1 54 54 PHE HD1 H 1 7.511 0.02 . 3 . 889 . . 54 PHE HD1 . 18331 1
633 . 1 1 54 54 PHE HD2 H 1 7.511 0.02 . 3 . 889 . . 54 PHE HD2 . 18331 1
634 . 1 1 54 54 PHE HE1 H 1 7.033 0.02 . 3 . 890 . . 54 PHE HE1 . 18331 1
635 . 1 1 54 54 PHE HE2 H 1 7.033 0.02 . 3 . 890 . . 54 PHE HE2 . 18331 1
636 . 1 1 54 54 PHE C C 13 174.467 0.1 . 1 . 461 . . 54 PHE C . 18331 1
637 . 1 1 54 54 PHE CA C 13 58.313 0.065 . 1 . 546 . . 54 PHE CA . 18331 1
638 . 1 1 54 54 PHE CB C 13 38.328 0.041 . 1 . 242 . . 54 PHE CB . 18331 1
639 . 1 1 54 54 PHE N N 15 111.209 0.032 . 1 . 105 . . 54 PHE N . 18331 1
640 . 1 1 55 55 GLU H H 1 7.733 0.003 . 1 . 4 . . 55 GLU H . 18331 1
641 . 1 1 55 55 GLU HA H 1 3.915 0.003 . 1 . 387 . . 55 GLU HA . 18331 1
642 . 1 1 55 55 GLU HB2 H 1 2.084 0.011 . 2 . 722 . . 55 GLU HB2 . 18331 1
643 . 1 1 55 55 GLU HB3 H 1 2.100 0.02 . 2 . 852 . . 55 GLU HB3 . 18331 1
644 . 1 1 55 55 GLU HG2 H 1 2.169 0.007 . 2 . 723 . . 55 GLU HG2 . 18331 1
645 . 1 1 55 55 GLU HG3 H 1 2.178 0.02 . 2 . 851 . . 55 GLU HG3 . 18331 1
646 . 1 1 55 55 GLU C C 13 174.845 0.1 . 1 . 462 . . 55 GLU C . 18331 1
647 . 1 1 55 55 GLU CA C 13 56.957 0.041 . 1 . 187 . . 55 GLU CA . 18331 1
648 . 1 1 55 55 GLU CB C 13 27.291 0.069 . 1 . 306 . . 55 GLU CB . 18331 1
649 . 1 1 55 55 GLU CG C 13 36.791 0.031 . 1 . 547 . . 55 GLU CG . 18331 1
650 . 1 1 55 55 GLU N N 15 120.839 0.051 . 1 . 5 . . 55 GLU N . 18331 1
651 . 1 1 56 56 THR H H 1 7.843 0.005 . 1 . 172 . . 56 THR H . 18331 1
652 . 1 1 56 56 THR HA H 1 4.642 0.004 . 1 . 388 . . 56 THR HA . 18331 1
653 . 1 1 56 56 THR HB H 1 3.706 0.003 . 1 . 389 . . 56 THR HB . 18331 1
654 . 1 1 56 56 THR HG21 H 1 0.963 0.004 . 1 . 724 . . 56 THR HG21 . 18331 1
655 . 1 1 56 56 THR HG22 H 1 0.963 0.004 . 1 . 724 . . 56 THR HG22 . 18331 1
656 . 1 1 56 56 THR HG23 H 1 0.963 0.004 . 1 . 724 . . 56 THR HG23 . 18331 1
657 . 1 1 56 56 THR C C 13 171.706 0.1 . 1 . 463 . . 56 THR C . 18331 1
658 . 1 1 56 56 THR CA C 13 60.137 0.073 . 1 . 293 . . 56 THR CA . 18331 1
659 . 1 1 56 56 THR CB C 13 71.583 0.037 . 1 . 294 . . 56 THR CB . 18331 1
660 . 1 1 56 56 THR CG2 C 13 19.310 0.082 . 1 . 548 . . 56 THR CG2 . 18331 1
661 . 1 1 56 56 THR N N 15 113.032 0.048 . 1 . 173 . . 56 THR N . 18331 1
662 . 1 1 57 57 GLU H H 1 8.194 0.01 . 1 . 43 . . 57 GLU H . 18331 1
663 . 1 1 57 57 GLU HA H 1 4.364 0.004 . 1 . 390 . . 57 GLU HA . 18331 1
664 . 1 1 57 57 GLU HB2 H 1 1.960 0.02 . 2 . 895 . . 57 GLU HB2 . 18331 1
665 . 1 1 57 57 GLU HB3 H 1 1.833 0.002 . 2 . 391 . . 57 GLU HB3 . 18331 1
666 . 1 1 57 57 GLU HG2 H 1 2.150 0.02 . 1 . 896 . . 57 GLU HG2 . 18331 1
667 . 1 1 57 57 GLU HG3 H 1 2.150 0.02 . 1 . 897 . . 57 GLU HG3 . 18331 1
668 . 1 1 57 57 GLU C C 13 176.153 0.1 . 1 . 485 . . 57 GLU C . 18331 1
669 . 1 1 57 57 GLU CA C 13 55.691 0.042 . 1 . 203 . . 57 GLU CA . 18331 1
670 . 1 1 57 57 GLU CB C 13 31.290 0.048 . 1 . 320 . . 57 GLU CB . 18331 1
671 . 1 1 57 57 GLU CG C 13 36.081 0.1 . 1 . 913 . . 57 GLU CG . 18331 1
672 . 1 1 57 57 GLU N N 15 123.509 0.041 . 1 . 44 . . 57 GLU N . 18331 1
673 . 1 1 58 58 ILE H H 1 9.670 0.003 . 1 . 77 . . 58 ILE H . 18331 1
674 . 1 1 58 58 ILE HA H 1 4.177 0.02 . 1 . 872 . . 58 ILE HA . 18331 1
675 . 1 1 58 58 ILE HB H 1 1.558 0.02 . 1 . 820 . . 58 ILE HB . 18331 1
676 . 1 1 58 58 ILE HG12 H 1 1.666 0.02 . 2 . 819 . . 58 ILE HG12 . 18331 1
677 . 1 1 58 58 ILE HG13 H 1 1.029 0.02 . 2 . 817 . . 58 ILE HG13 . 18331 1
678 . 1 1 58 58 ILE HG21 H 1 0.160 0.005 . 1 . 808 . . 58 ILE HG21 . 18331 1
679 . 1 1 58 58 ILE HG22 H 1 0.160 0.005 . 1 . 808 . . 58 ILE HG22 . 18331 1
680 . 1 1 58 58 ILE HG23 H 1 0.160 0.005 . 1 . 808 . . 58 ILE HG23 . 18331 1
681 . 1 1 58 58 ILE HD11 H 1 0.801 0.02 . 1 . 805 . . 58 ILE HD11 . 18331 1
682 . 1 1 58 58 ILE HD12 H 1 0.801 0.02 . 1 . 805 . . 58 ILE HD12 . 18331 1
683 . 1 1 58 58 ILE HD13 H 1 0.801 0.02 . 1 . 805 . . 58 ILE HD13 . 18331 1
684 . 1 1 58 58 ILE CA C 13 58.984 0.079 . 1 . 222 . . 58 ILE CA . 18331 1
685 . 1 1 58 58 ILE CB C 13 37.716 0.025 . 1 . 223 . . 58 ILE CB . 18331 1
686 . 1 1 58 58 ILE CG1 C 13 27.764 0.008 . 1 . 818 . . 58 ILE CG1 . 18331 1
687 . 1 1 58 58 ILE CG2 C 13 16.631 0.1 . 1 . 807 . . 58 ILE CG2 . 18331 1
688 . 1 1 58 58 ILE CD1 C 13 13.061 0.1 . 1 . 804 . . 58 ILE CD1 . 18331 1
689 . 1 1 58 58 ILE N N 15 128.012 0.011 . 1 . 484 . . 58 ILE N . 18331 1
690 . 1 1 59 59 PRO HA H 1 4.385 0.002 . 1 . 725 . . 59 PRO HA . 18331 1
691 . 1 1 59 59 PRO HB2 H 1 2.406 0.005 . 2 . 728 . . 59 PRO HB2 . 18331 1
692 . 1 1 59 59 PRO HB3 H 1 1.805 0.001 . 2 . 730 . . 59 PRO HB3 . 18331 1
693 . 1 1 59 59 PRO HG2 H 1 1.948 0.009 . 2 . 729 . . 59 PRO HG2 . 18331 1
694 . 1 1 59 59 PRO HG3 H 1 1.905 0.02 . 2 . 873 . . 59 PRO HG3 . 18331 1
695 . 1 1 59 59 PRO HD2 H 1 3.387 0.003 . 2 . 727 . . 59 PRO HD2 . 18331 1
696 . 1 1 59 59 PRO HD3 H 1 3.620 0.02 . 2 . 726 . . 59 PRO HD3 . 18331 1
697 . 1 1 59 59 PRO C C 13 177.490 0.1 . 1 . 464 . . 59 PRO C . 18331 1
698 . 1 1 59 59 PRO CA C 13 62.608 0.068 . 1 . 324 . . 59 PRO CA . 18331 1
699 . 1 1 59 59 PRO CB C 13 32.781 0.046 . 1 . 325 . . 59 PRO CB . 18331 1
700 . 1 1 59 59 PRO CG C 13 27.481 0.047 . 1 . 550 . . 59 PRO CG . 18331 1
701 . 1 1 59 59 PRO CD C 13 50.938 0.039 . 1 . 549 . . 59 PRO CD . 18331 1
702 . 1 1 60 60 ASP H H 1 8.836 0.003 . 1 . 12 . . 60 ASP H . 18331 1
703 . 1 1 60 60 ASP HA H 1 4.153 0.002 . 1 . 733 . . 60 ASP HA . 18331 1
704 . 1 1 60 60 ASP HB2 H 1 2.635 0.008 . 2 . 732 . . 60 ASP HB2 . 18331 1
705 . 1 1 60 60 ASP HB3 H 1 2.532 0.004 . 2 . 731 . . 60 ASP HB3 . 18331 1
706 . 1 1 60 60 ASP C C 13 177.585 0.1 . 1 . 465 . . 60 ASP C . 18331 1
707 . 1 1 60 60 ASP CA C 13 58.204 0.075 . 1 . 191 . . 60 ASP CA . 18331 1
708 . 1 1 60 60 ASP CB C 13 40.126 0.028 . 1 . 309 . . 60 ASP CB . 18331 1
709 . 1 1 60 60 ASP N N 15 124.448 0.028 . 1 . 13 . . 60 ASP N . 18331 1
710 . 1 1 61 61 GLU H H 1 9.085 0.004 . 1 . 125 . . 61 GLU H . 18331 1
711 . 1 1 61 61 GLU HA H 1 4.067 0.008 . 1 . 392 . . 61 GLU HA . 18331 1
712 . 1 1 61 61 GLU HB2 H 1 1.939 0.007 . 2 . 736 . . 61 GLU HB2 . 18331 1
713 . 1 1 61 61 GLU HB3 H 1 1.949 0.02 . 2 . 853 . . 61 GLU HB3 . 18331 1
714 . 1 1 61 61 GLU HG2 H 1 2.210 0.002 . 2 . 734 . . 61 GLU HG2 . 18331 1
715 . 1 1 61 61 GLU HG3 H 1 2.138 0.004 . 2 . 735 . . 61 GLU HG3 . 18331 1
716 . 1 1 61 61 GLU C C 13 178.071 0.1 . 1 . 466 . . 61 GLU C . 18331 1
717 . 1 1 61 61 GLU CA C 13 58.810 0.051 . 1 . 254 . . 61 GLU CA . 18331 1
718 . 1 1 61 61 GLU CB C 13 28.705 0.035 . 1 . 255 . . 61 GLU CB . 18331 1
719 . 1 1 61 61 GLU CG C 13 35.920 0.024 . 1 . 551 . . 61 GLU CG . 18331 1
720 . 1 1 61 61 GLU N N 15 116.623 0.03 . 1 . 126 . . 61 GLU N . 18331 1
721 . 1 1 62 62 LYS H H 1 7.264 0.002 . 1 . 84 . . 62 LYS H . 18331 1
722 . 1 1 62 62 LYS HA H 1 4.136 0.007 . 1 . 393 . . 62 LYS HA . 18331 1
723 . 1 1 62 62 LYS HB2 H 1 1.580 0.004 . 2 . 739 . . 62 LYS HB2 . 18331 1
724 . 1 1 62 62 LYS HB3 H 1 1.639 0.014 . 2 . 394 . . 62 LYS HB3 . 18331 1
725 . 1 1 62 62 LYS HG2 H 1 1.359 0.02 . 2 . 898 . . 62 LYS HG2 . 18331 1
726 . 1 1 62 62 LYS HG3 H 1 1.347 0.011 . 2 . 740 . . 62 LYS HG3 . 18331 1
727 . 1 1 62 62 LYS HD2 H 1 1.489 0.02 . 1 . 899 . . 62 LYS HD2 . 18331 1
728 . 1 1 62 62 LYS HD3 H 1 1.489 0.02 . 1 . 738 . . 62 LYS HD3 . 18331 1
729 . 1 1 62 62 LYS HE2 H 1 3.011 0.02 . 2 . 837 . . 62 LYS HE2 . 18331 1
730 . 1 1 62 62 LYS HE3 H 1 2.991 0.02 . 2 . 737 . . 62 LYS HE3 . 18331 1
731 . 1 1 62 62 LYS C C 13 178.527 0.1 . 1 . 467 . . 62 LYS C . 18331 1
732 . 1 1 62 62 LYS CA C 13 56.310 0.065 . 1 . 229 . . 62 LYS CA . 18331 1
733 . 1 1 62 62 LYS CB C 13 31.832 0.045 . 1 . 228 . . 62 LYS CB . 18331 1
734 . 1 1 62 62 LYS CG C 13 24.885 0.1 . 1 . 554 . . 62 LYS CG . 18331 1
735 . 1 1 62 62 LYS CD C 13 28.044 0.1 . 1 . 553 . . 62 LYS CD . 18331 1
736 . 1 1 62 62 LYS CE C 13 42.247 0.007 . 1 . 552 . . 62 LYS CE . 18331 1
737 . 1 1 62 62 LYS N N 15 116.511 0.032 . 1 . 85 . . 62 LYS N . 18331 1
738 . 1 1 63 63 ALA H H 1 8.379 0.001 . 1 . 57 . . 63 ALA H . 18331 1
739 . 1 1 63 63 ALA HA H 1 3.506 0.004 . 1 . 395 . . 63 ALA HA . 18331 1
740 . 1 1 63 63 ALA HB1 H 1 1.277 0.002 . 1 . 396 . . 63 ALA HB1 . 18331 1
741 . 1 1 63 63 ALA HB2 H 1 1.277 0.002 . 1 . 396 . . 63 ALA HB2 . 18331 1
742 . 1 1 63 63 ALA HB3 H 1 1.277 0.002 . 1 . 396 . . 63 ALA HB3 . 18331 1
743 . 1 1 63 63 ALA C C 13 179.333 0.1 . 1 . 468 . . 63 ALA C . 18331 1
744 . 1 1 63 63 ALA CA C 13 55.107 0.04 . 1 . 210 . . 63 ALA CA . 18331 1
745 . 1 1 63 63 ALA CB C 13 18.489 0.012 . 1 . 209 . . 63 ALA CB . 18331 1
746 . 1 1 63 63 ALA N N 15 123.698 0.025 . 1 . 58 . . 63 ALA N . 18331 1
747 . 1 1 64 64 GLU H H 1 7.558 0.005 . 1 . 158 . . 64 GLU H . 18331 1
748 . 1 1 64 64 GLU HA H 1 3.948 0.001 . 1 . 397 . . 64 GLU HA . 18331 1
749 . 1 1 64 64 GLU HB2 H 1 1.907 0.008 . 1 . 854 . . 64 GLU HB2 . 18331 1
750 . 1 1 64 64 GLU HB3 H 1 1.907 0.008 . 1 . 849 . . 64 GLU HB3 . 18331 1
751 . 1 1 64 64 GLU HG2 H 1 2.212 0.02 . 2 . 857 . . 64 GLU HG2 . 18331 1
752 . 1 1 64 64 GLU HG3 H 1 2.211 0.001 . 2 . 850 . . 64 GLU HG3 . 18331 1
753 . 1 1 64 64 GLU C C 13 176.498 0.1 . 1 . 469 . . 64 GLU C . 18331 1
754 . 1 1 64 64 GLU CA C 13 58.021 0.082 . 1 . 280 . . 64 GLU CA . 18331 1
755 . 1 1 64 64 GLU CB C 13 29.718 0.057 . 1 . 279 . . 64 GLU CB . 18331 1
756 . 1 1 64 64 GLU CG C 13 35.750 0.018 . 1 . 555 . . 64 GLU CG . 18331 1
757 . 1 1 64 64 GLU N N 15 113.631 0.028 . 1 . 159 . . 64 GLU N . 18331 1
758 . 1 1 65 65 LYS H H 1 7.052 0.006 . 1 . 137 . . 65 LYS H . 18331 1
759 . 1 1 65 65 LYS HA H 1 4.262 0.001 . 1 . 398 . . 65 LYS HA . 18331 1
760 . 1 1 65 65 LYS HB2 H 1 2.063 0.005 . 2 . 399 . . 65 LYS HB2 . 18331 1
761 . 1 1 65 65 LYS HB3 H 1 1.692 0.003 . 2 . 742 . . 65 LYS HB3 . 18331 1
762 . 1 1 65 65 LYS HG2 H 1 1.352 0.001 . 2 . 745 . . 65 LYS HG2 . 18331 1
763 . 1 1 65 65 LYS HG3 H 1 1.475 0.02 . 2 . 835 . . 65 LYS HG3 . 18331 1
764 . 1 1 65 65 LYS HD2 H 1 1.600 0.012 . 2 . 743 . . 65 LYS HD2 . 18331 1
765 . 1 1 65 65 LYS HD3 H 1 1.669 0.003 . 2 . 834 . . 65 LYS HD3 . 18331 1
766 . 1 1 65 65 LYS HE2 H 1 2.956 0.002 . 2 . 741 . . 65 LYS HE2 . 18331 1
767 . 1 1 65 65 LYS HE3 H 1 2.958 0.02 . 2 . 838 . . 65 LYS HE3 . 18331 1
768 . 1 1 65 65 LYS C C 13 175.999 0.1 . 1 . 470 . . 65 LYS C . 18331 1
769 . 1 1 65 65 LYS CA C 13 54.743 0.046 . 1 . 266 . . 65 LYS CA . 18331 1
770 . 1 1 65 65 LYS CB C 13 32.364 0.083 . 1 . 267 . . 65 LYS CB . 18331 1
771 . 1 1 65 65 LYS CG C 13 24.873 0.004 . 1 . 836 . . 65 LYS CG . 18331 1
772 . 1 1 65 65 LYS CD C 13 28.306 0.068 . 1 . 557 . . 65 LYS CD . 18331 1
773 . 1 1 65 65 LYS CE C 13 42.198 0.001 . 1 . 556 . . 65 LYS CE . 18331 1
774 . 1 1 65 65 LYS N N 15 114.654 0.005 . 1 . 138 . . 65 LYS N . 18331 1
775 . 1 1 66 66 ILE H H 1 7.494 0.003 . 1 . 31 . . 66 ILE H . 18331 1
776 . 1 1 66 66 ILE HA H 1 3.993 0.007 . 1 . 400 . . 66 ILE HA . 18331 1
777 . 1 1 66 66 ILE HB H 1 1.894 0.002 . 1 . 401 . . 66 ILE HB . 18331 1
778 . 1 1 66 66 ILE HG12 H 1 1.530 0.009 . 2 . 746 . . 66 ILE HG12 . 18331 1
779 . 1 1 66 66 ILE HG13 H 1 0.624 0.007 . 2 . 814 . . 66 ILE HG13 . 18331 1
780 . 1 1 66 66 ILE HG21 H 1 0.794 0.007 . 1 . 747 . . 66 ILE HG21 . 18331 1
781 . 1 1 66 66 ILE HG22 H 1 0.794 0.007 . 1 . 747 . . 66 ILE HG22 . 18331 1
782 . 1 1 66 66 ILE HG23 H 1 0.794 0.007 . 1 . 747 . . 66 ILE HG23 . 18331 1
783 . 1 1 66 66 ILE HD11 H 1 0.245 0.005 . 1 . 749 . . 66 ILE HD11 . 18331 1
784 . 1 1 66 66 ILE HD12 H 1 0.245 0.005 . 1 . 749 . . 66 ILE HD12 . 18331 1
785 . 1 1 66 66 ILE HD13 H 1 0.245 0.005 . 1 . 749 . . 66 ILE HD13 . 18331 1
786 . 1 1 66 66 ILE C C 13 173.977 0.1 . 1 . 471 . . 66 ILE C . 18331 1
787 . 1 1 66 66 ILE CA C 13 61.958 0.087 . 1 . 199 . . 66 ILE CA . 18331 1
788 . 1 1 66 66 ILE CB C 13 36.737 0.022 . 1 . 317 . . 66 ILE CB . 18331 1
789 . 1 1 66 66 ILE CG1 C 13 26.846 0.046 . 1 . 558 . . 66 ILE CG1 . 18331 1
790 . 1 1 66 66 ILE CG2 C 13 17.088 0.007 . 1 . 559 . . 66 ILE CG2 . 18331 1
791 . 1 1 66 66 ILE CD1 C 13 12.835 0.028 . 1 . 560 . . 66 ILE CD1 . 18331 1
792 . 1 1 66 66 ILE N N 15 123.584 0.042 . 1 . 32 . . 66 ILE N . 18331 1
793 . 1 1 67 67 THR H H 1 9.257 0.004 . 1 . 99 . . 67 THR H . 18331 1
794 . 1 1 67 67 THR HA H 1 4.678 0.004 . 1 . 752 . . 67 THR HA . 18331 1
795 . 1 1 67 67 THR HB H 1 4.249 0.01 . 1 . 751 . . 67 THR HB . 18331 1
796 . 1 1 67 67 THR HG21 H 1 1.063 0.005 . 1 . 750 . . 67 THR HG21 . 18331 1
797 . 1 1 67 67 THR HG22 H 1 1.063 0.005 . 1 . 750 . . 67 THR HG22 . 18331 1
798 . 1 1 67 67 THR HG23 H 1 1.063 0.005 . 1 . 750 . . 67 THR HG23 . 18331 1
799 . 1 1 67 67 THR C C 13 174.812 0.1 . 1 . 472 . . 67 THR C . 18331 1
800 . 1 1 67 67 THR CA C 13 62.077 0.016 . 1 . 326 . . 67 THR CA . 18331 1
801 . 1 1 67 67 THR CB C 13 71.057 0.069 . 1 . 239 . . 67 THR CB . 18331 1
802 . 1 1 67 67 THR CG2 C 13 21.652 0.043 . 1 . 561 . . 67 THR CG2 . 18331 1
803 . 1 1 67 67 THR N N 15 116.278 0.044 . 1 . 100 . . 67 THR N . 18331 1
804 . 1 1 68 68 THR H H 1 7.408 0.006 . 1 . 61 . . 68 THR H . 18331 1
805 . 1 1 68 68 THR HA H 1 4.666 0.002 . 1 . 402 . . 68 THR HA . 18331 1
806 . 1 1 68 68 THR HB H 1 3.947 0.007 . 1 . 753 . . 68 THR HB . 18331 1
807 . 1 1 68 68 THR HG21 H 1 0.850 0.02 . 1 . 754 . . 68 THR HG21 . 18331 1
808 . 1 1 68 68 THR HG22 H 1 0.850 0.02 . 1 . 754 . . 68 THR HG22 . 18331 1
809 . 1 1 68 68 THR HG23 H 1 0.850 0.02 . 1 . 754 . . 68 THR HG23 . 18331 1
810 . 1 1 68 68 THR C C 13 174.226 0.1 . 1 . 473 . . 68 THR C . 18331 1
811 . 1 1 68 68 THR CA C 13 57.960 0.05 . 1 . 213 . . 68 THR CA . 18331 1
812 . 1 1 68 68 THR CB C 13 73.715 0.025 . 1 . 212 . . 68 THR CB . 18331 1
813 . 1 1 68 68 THR CG2 C 13 21.038 0.08 . 1 . 562 . . 68 THR CG2 . 18331 1
814 . 1 1 68 68 THR N N 15 113.168 0.05 . 1 . 62 . . 68 THR N . 18331 1
815 . 1 1 69 69 VAL H H 1 7.918 0.005 . 1 . 160 . . 69 VAL H . 18331 1
816 . 1 1 69 69 VAL HA H 1 3.315 0.002 . 1 . 758 . . 69 VAL HA . 18331 1
817 . 1 1 69 69 VAL HB H 1 2.416 0.002 . 1 . 757 . . 69 VAL HB . 18331 1
818 . 1 1 69 69 VAL HG11 H 1 0.699 0.007 . 2 . 755 . . 69 VAL HG11 . 18331 1
819 . 1 1 69 69 VAL HG12 H 1 0.699 0.007 . 2 . 755 . . 69 VAL HG12 . 18331 1
820 . 1 1 69 69 VAL HG13 H 1 0.699 0.007 . 2 . 755 . . 69 VAL HG13 . 18331 1
821 . 1 1 69 69 VAL HG21 H 1 0.974 0.002 . 2 . 756 . . 69 VAL HG21 . 18331 1
822 . 1 1 69 69 VAL HG22 H 1 0.974 0.002 . 2 . 756 . . 69 VAL HG22 . 18331 1
823 . 1 1 69 69 VAL HG23 H 1 0.974 0.002 . 2 . 756 . . 69 VAL HG23 . 18331 1
824 . 1 1 69 69 VAL C C 13 178.058 0.1 . 1 . 474 . . 69 VAL C . 18331 1
825 . 1 1 69 69 VAL CA C 13 67.482 0.063 . 1 . 281 . . 69 VAL CA . 18331 1
826 . 1 1 69 69 VAL CB C 13 30.949 0.056 . 1 . 282 . . 69 VAL CB . 18331 1
827 . 1 1 69 69 VAL CG1 C 13 21.491 0.033 . 2 . 564 . . 69 VAL CG1 . 18331 1
828 . 1 1 69 69 VAL CG2 C 13 23.943 0.1 . 2 . 563 . . 69 VAL CG2 . 18331 1
829 . 1 1 69 69 VAL N N 15 120.856 0.021 . 1 . 161 . . 69 VAL N . 18331 1
830 . 1 1 70 70 GLN H H 1 8.425 0.003 . 1 . 90 . . 70 GLN H . 18331 1
831 . 1 1 70 70 GLN HA H 1 3.673 0.002 . 1 . 759 . . 70 GLN HA . 18331 1
832 . 1 1 70 70 GLN HB2 H 1 1.700 0.004 . 2 . 762 . . 70 GLN HB2 . 18331 1
833 . 1 1 70 70 GLN HB3 H 1 2.260 0.022 . 2 . 760 . . 70 GLN HB3 . 18331 1
834 . 1 1 70 70 GLN HG2 H 1 2.297 0.004 . 2 . 869 . . 70 GLN HG2 . 18331 1
835 . 1 1 70 70 GLN HG3 H 1 2.159 0.008 . 2 . 761 . . 70 GLN HG3 . 18331 1
836 . 1 1 70 70 GLN HE21 H 1 8.024 0.002 . 1 . 103 . . 70 GLN HE21 . 18331 1
837 . 1 1 70 70 GLN HE22 H 1 7.067 0.003 . 1 . 149 . . 70 GLN HE22 . 18331 1
838 . 1 1 70 70 GLN C C 13 177.388 0.1 . 1 . 580 . . 70 GLN C . 18331 1
839 . 1 1 70 70 GLN CA C 13 58.320 0.061 . 1 . 231 . . 70 GLN CA . 18331 1
840 . 1 1 70 70 GLN CB C 13 28.761 0.057 . 1 . 232 . . 70 GLN CB . 18331 1
841 . 1 1 70 70 GLN CG C 13 33.373 0.022 . 1 . 598 . . 70 GLN CG . 18331 1
842 . 1 1 70 70 GLN CD C 13 180.576 0.1 . 1 . 883 . . 70 GLN CD . 18331 1
843 . 1 1 70 70 GLN N N 15 118.253 0.038 . 1 . 91 . . 70 GLN N . 18331 1
844 . 1 1 70 70 GLN NE2 N 15 117.904 0.018 . 1 . 150 . . 70 GLN NE2 . 18331 1
845 . 1 1 71 71 GLU H H 1 7.793 0.004 . 1 . 8 . . 71 GLU H . 18331 1
846 . 1 1 71 71 GLU HA H 1 4.058 0.006 . 1 . 766 . . 71 GLU HA . 18331 1
847 . 1 1 71 71 GLU HB2 H 1 2.011 0.006 . 2 . 763 . . 71 GLU HB2 . 18331 1
848 . 1 1 71 71 GLU HB3 H 1 2.003 0.02 . 2 . 855 . . 71 GLU HB3 . 18331 1
849 . 1 1 71 71 GLU HG2 H 1 2.389 0.007 . 2 . 765 . . 71 GLU HG2 . 18331 1
850 . 1 1 71 71 GLU HG3 H 1 2.260 0.02 . 2 . 764 . . 71 GLU HG3 . 18331 1
851 . 1 1 71 71 GLU C C 13 180.130 0.1 . 1 . 475 . . 71 GLU C . 18331 1
852 . 1 1 71 71 GLU CA C 13 58.962 0.048 . 1 . 565 . . 71 GLU CA . 18331 1
853 . 1 1 71 71 GLU CB C 13 29.831 0.047 . 1 . 567 . . 71 GLU CB . 18331 1
854 . 1 1 71 71 GLU CG C 13 37.065 0.011 . 1 . 566 . . 71 GLU CG . 18331 1
855 . 1 1 71 71 GLU N N 15 116.779 0.043 . 1 . 9 . . 71 GLU N . 18331 1
856 . 1 1 72 72 ALA H H 1 7.945 0.002 . 1 . 96 . . 72 ALA H . 18331 1
857 . 1 1 72 72 ALA HA H 1 3.995 0.005 . 1 . 403 . . 72 ALA HA . 18331 1
858 . 1 1 72 72 ALA HB1 H 1 1.466 0.003 . 1 . 404 . . 72 ALA HB1 . 18331 1
859 . 1 1 72 72 ALA HB2 H 1 1.466 0.003 . 1 . 404 . . 72 ALA HB2 . 18331 1
860 . 1 1 72 72 ALA HB3 H 1 1.466 0.003 . 1 . 404 . . 72 ALA HB3 . 18331 1
861 . 1 1 72 72 ALA C C 13 177.950 0.1 . 1 . 476 . . 72 ALA C . 18331 1
862 . 1 1 72 72 ALA CA C 13 55.873 0.07 . 1 . 238 . . 72 ALA CA . 18331 1
863 . 1 1 72 72 ALA CB C 13 17.323 0.033 . 1 . 237 . . 72 ALA CB . 18331 1
864 . 1 1 72 72 ALA N N 15 123.289 0.025 . 1 . 97 . . 72 ALA N . 18331 1
865 . 1 1 73 73 ILE H H 1 8.207 0.002 . 1 . 19 . . 73 ILE H . 18331 1
866 . 1 1 73 73 ILE HA H 1 3.158 0.003 . 1 . 405 . . 73 ILE HA . 18331 1
867 . 1 1 73 73 ILE HB H 1 1.903 0.007 . 1 . 767 . . 73 ILE HB . 18331 1
868 . 1 1 73 73 ILE HG12 H 1 1.578 0.02 . 2 . 815 . . 73 ILE HG12 . 18331 1
869 . 1 1 73 73 ILE HG13 H 1 1.714 0.02 . 2 . 816 . . 73 ILE HG13 . 18331 1
870 . 1 1 73 73 ILE HG21 H 1 0.772 0.004 . 1 . 768 . . 73 ILE HG21 . 18331 1
871 . 1 1 73 73 ILE HG22 H 1 0.772 0.004 . 1 . 768 . . 73 ILE HG22 . 18331 1
872 . 1 1 73 73 ILE HG23 H 1 0.772 0.004 . 1 . 768 . . 73 ILE HG23 . 18331 1
873 . 1 1 73 73 ILE HD11 H 1 0.753 0.02 . 1 . 806 . . 73 ILE HD11 . 18331 1
874 . 1 1 73 73 ILE HD12 H 1 0.753 0.02 . 1 . 806 . . 73 ILE HD12 . 18331 1
875 . 1 1 73 73 ILE HD13 H 1 0.753 0.02 . 1 . 806 . . 73 ILE HD13 . 18331 1
876 . 1 1 73 73 ILE C C 13 177.087 0.1 . 1 . 477 . . 73 ILE C . 18331 1
877 . 1 1 73 73 ILE CA C 13 66.430 0.087 . 1 . 194 . . 73 ILE CA . 18331 1
878 . 1 1 73 73 ILE CB C 13 38.399 0.032 . 1 . 312 . . 73 ILE CB . 18331 1
879 . 1 1 73 73 ILE CG1 C 13 29.538 0.043 . 1 . 568 . . 73 ILE CG1 . 18331 1
880 . 1 1 73 73 ILE CG2 C 13 16.847 0.1 . 1 . 569 . . 73 ILE CG2 . 18331 1
881 . 1 1 73 73 ILE CD1 C 13 15.443 0.032 . 1 . 570 . . 73 ILE CD1 . 18331 1
882 . 1 1 73 73 ILE N N 15 118.243 0.015 . 1 . 20 . . 73 ILE N . 18331 1
883 . 1 1 74 74 ASP H H 1 9.048 0.004 . 1 . 170 . . 74 ASP H . 18331 1
884 . 1 1 74 74 ASP HA H 1 4.153 0.006 . 1 . 406 . . 74 ASP HA . 18331 1
885 . 1 1 74 74 ASP HB2 H 1 2.565 0.014 . 2 . 829 . . 74 ASP HB2 . 18331 1
886 . 1 1 74 74 ASP HB3 H 1 2.597 0.011 . 2 . 770 . . 74 ASP HB3 . 18331 1
887 . 1 1 74 74 ASP C C 13 179.399 0.1 . 1 . 478 . . 74 ASP C . 18331 1
888 . 1 1 74 74 ASP CA C 13 57.154 0.038 . 1 . 291 . . 74 ASP CA . 18331 1
889 . 1 1 74 74 ASP CB C 13 39.735 0.014 . 1 . 292 . . 74 ASP CB . 18331 1
890 . 1 1 74 74 ASP N N 15 117.582 0.009 . 1 . 171 . . 74 ASP N . 18331 1
891 . 1 1 75 75 TYR H H 1 7.883 0.004 . 1 . 94 . . 75 TYR H . 18331 1
892 . 1 1 75 75 TYR HA H 1 4.041 0.006 . 1 . 407 . . 75 TYR HA . 18331 1
893 . 1 1 75 75 TYR HB2 H 1 3.060 0.001 . 2 . 771 . . 75 TYR HB2 . 18331 1
894 . 1 1 75 75 TYR HB3 H 1 3.004 0.015 . 2 . 408 . . 75 TYR HB3 . 18331 1
895 . 1 1 75 75 TYR HD1 H 1 6.792 0.02 . 3 . 891 . . 75 TYR HD1 . 18331 1
896 . 1 1 75 75 TYR HD2 H 1 6.792 0.02 . 3 . 891 . . 75 TYR HD2 . 18331 1
897 . 1 1 75 75 TYR HE1 H 1 6.353 0.006 . 3 . 880 . . 75 TYR HE1 . 18331 1
898 . 1 1 75 75 TYR HE2 H 1 6.353 0.006 . 3 . 880 . . 75 TYR HE2 . 18331 1
899 . 1 1 75 75 TYR C C 13 178.652 0.1 . 1 . 479 . . 75 TYR C . 18331 1
900 . 1 1 75 75 TYR CA C 13 62.697 0.044 . 1 . 235 . . 75 TYR CA . 18331 1
901 . 1 1 75 75 TYR CB C 13 38.553 0.015 . 1 . 236 . . 75 TYR CB . 18331 1
902 . 1 1 75 75 TYR CE1 C 13 117.704 0.1 . 3 . 881 . . 75 TYR CE1 . 18331 1
903 . 1 1 75 75 TYR CE2 C 13 117.704 0.1 . 3 . 881 . . 75 TYR CE2 . 18331 1
904 . 1 1 75 75 TYR N N 15 120.374 0.025 . 1 . 95 . . 75 TYR N . 18331 1
905 . 1 1 76 76 ILE H H 1 8.077 0.005 . 1 . 135 . . 76 ILE H . 18331 1
906 . 1 1 76 76 ILE HA H 1 3.433 0.004 . 1 . 409 . . 76 ILE HA . 18331 1
907 . 1 1 76 76 ILE HB H 1 1.681 0.003 . 1 . 410 . . 76 ILE HB . 18331 1
908 . 1 1 76 76 ILE HG12 H 1 0.966 0.008 . 2 . 774 . . 76 ILE HG12 . 18331 1
909 . 1 1 76 76 ILE HG13 H 1 1.391 0.004 . 2 . 773 . . 76 ILE HG13 . 18331 1
910 . 1 1 76 76 ILE HG21 H 1 -0.013 0.005 . 1 . 772 . . 76 ILE HG21 . 18331 1
911 . 1 1 76 76 ILE HG22 H 1 -0.013 0.005 . 1 . 772 . . 76 ILE HG22 . 18331 1
912 . 1 1 76 76 ILE HG23 H 1 -0.013 0.005 . 1 . 772 . . 76 ILE HG23 . 18331 1
913 . 1 1 76 76 ILE HD11 H 1 0.350 0.007 . 1 . 775 . . 76 ILE HD11 . 18331 1
914 . 1 1 76 76 ILE HD12 H 1 0.350 0.007 . 1 . 775 . . 76 ILE HD12 . 18331 1
915 . 1 1 76 76 ILE HD13 H 1 0.350 0.007 . 1 . 775 . . 76 ILE HD13 . 18331 1
916 . 1 1 76 76 ILE C C 13 179.250 0.1 . 1 . 480 . . 76 ILE C . 18331 1
917 . 1 1 76 76 ILE CA C 13 63.809 0.061 . 1 . 264 . . 76 ILE CA . 18331 1
918 . 1 1 76 76 ILE CB C 13 35.741 0.038 . 1 . 265 . . 76 ILE CB . 18331 1
919 . 1 1 76 76 ILE CG1 C 13 27.126 0.087 . 1 . 571 . . 76 ILE CG1 . 18331 1
920 . 1 1 76 76 ILE CG2 C 13 17.032 0.027 . 1 . 572 . . 76 ILE CG2 . 18331 1
921 . 1 1 76 76 ILE CD1 C 13 10.619 0.005 . 1 . 573 . . 76 ILE CD1 . 18331 1
922 . 1 1 76 76 ILE N N 15 121.668 0.019 . 1 . 136 . . 76 ILE N . 18331 1
923 . 1 1 77 77 VAL H H 1 8.836 0.005 . 1 . 39 . . 77 VAL H . 18331 1
924 . 1 1 77 77 VAL HA H 1 3.414 0.008 . 1 . 411 . . 77 VAL HA . 18331 1
925 . 1 1 77 77 VAL HB H 1 2.003 0.006 . 1 . 412 . . 77 VAL HB . 18331 1
926 . 1 1 77 77 VAL HG11 H 1 0.983 0.002 . 2 . 777 . . 77 VAL HG11 . 18331 1
927 . 1 1 77 77 VAL HG12 H 1 0.983 0.002 . 2 . 777 . . 77 VAL HG12 . 18331 1
928 . 1 1 77 77 VAL HG13 H 1 0.983 0.002 . 2 . 777 . . 77 VAL HG13 . 18331 1
929 . 1 1 77 77 VAL HG21 H 1 0.824 0.02 . 2 . 776 . . 77 VAL HG21 . 18331 1
930 . 1 1 77 77 VAL HG22 H 1 0.824 0.02 . 2 . 776 . . 77 VAL HG22 . 18331 1
931 . 1 1 77 77 VAL HG23 H 1 0.824 0.02 . 2 . 776 . . 77 VAL HG23 . 18331 1
932 . 1 1 77 77 VAL C C 13 178.424 0.1 . 1 . 481 . . 77 VAL C . 18331 1
933 . 1 1 77 77 VAL CA C 13 66.855 0.096 . 1 . 202 . . 77 VAL CA . 18331 1
934 . 1 1 77 77 VAL CB C 13 31.920 0.032 . 1 . 319 . . 77 VAL CB . 18331 1
935 . 1 1 77 77 VAL CG1 C 13 23.509 0.024 . 2 . 574 . . 77 VAL CG1 . 18331 1
936 . 1 1 77 77 VAL CG2 C 13 20.837 0.1 . 2 . 575 . . 77 VAL CG2 . 18331 1
937 . 1 1 77 77 VAL N N 15 120.079 0.043 . 1 . 40 . . 77 VAL N . 18331 1
938 . 1 1 78 78 ALA H H 1 7.516 0.003 . 1 . 6 . . 78 ALA H . 18331 1
939 . 1 1 78 78 ALA HA H 1 4.047 0.003 . 1 . 413 . . 78 ALA HA . 18331 1
940 . 1 1 78 78 ALA HB1 H 1 1.155 0.001 . 1 . 414 . . 78 ALA HB1 . 18331 1
941 . 1 1 78 78 ALA HB2 H 1 1.155 0.001 . 1 . 414 . . 78 ALA HB2 . 18331 1
942 . 1 1 78 78 ALA HB3 H 1 1.155 0.001 . 1 . 414 . . 78 ALA HB3 . 18331 1
943 . 1 1 78 78 ALA C C 13 177.972 0.1 . 1 . 482 . . 78 ALA C . 18331 1
944 . 1 1 78 78 ALA CA C 13 53.484 0.046 . 1 . 188 . . 78 ALA CA . 18331 1
945 . 1 1 78 78 ALA CB C 13 18.334 0.027 . 1 . 307 . . 78 ALA CB . 18331 1
946 . 1 1 78 78 ALA N N 15 118.529 0.056 . 1 . 7 . . 78 ALA N . 18331 1
947 . 1 1 79 79 HIS H H 1 7.461 0.002 . 1 . 10 . . 79 HIS H . 18331 1
948 . 1 1 79 79 HIS HA H 1 4.490 0.004 . 1 . 415 . . 79 HIS HA . 18331 1
949 . 1 1 79 79 HIS HB2 H 1 2.438 0.003 . 2 . 417 . . 79 HIS HB2 . 18331 1
950 . 1 1 79 79 HIS HB3 H 1 3.456 0.01 . 2 . 416 . . 79 HIS HB3 . 18331 1
951 . 1 1 79 79 HIS C C 13 173.828 0.1 . 1 . 483 . . 79 HIS C . 18331 1
952 . 1 1 79 79 HIS CA C 13 56.647 0.066 . 1 . 190 . . 79 HIS CA . 18331 1
953 . 1 1 79 79 HIS CB C 13 28.271 0.055 . 1 . 308 . . 79 HIS CB . 18331 1
954 . 1 1 79 79 HIS N N 15 114.121 0.054 . 1 . 11 . . 79 HIS N . 18331 1
955 . 1 1 79 79 HIS ND1 N 15 120.870 0.161 . 1 . 914 . . 79 HIS ND1 . 18331 1
956 . 1 1 80 80 GLN H H 1 7.484 0.007 . 1 . 147 . . 80 GLN H . 18331 1
957 . 1 1 80 80 GLN HA H 1 4.353 0.007 . 1 . 418 . . 80 GLN HA . 18331 1
958 . 1 1 80 80 GLN HB2 H 1 2.133 0.008 . 2 . 779 . . 80 GLN HB2 . 18331 1
959 . 1 1 80 80 GLN HB3 H 1 2.013 0.02 . 2 . 778 . . 80 GLN HB3 . 18331 1
960 . 1 1 80 80 GLN HG2 H 1 2.358 0.02 . 2 . 780 . . 80 GLN HG2 . 18331 1
961 . 1 1 80 80 GLN HG3 H 1 2.481 0.002 . 2 . 781 . . 80 GLN HG3 . 18331 1
962 . 1 1 80 80 GLN HE21 H 1 6.907 0.011 . 1 . 69 . . 80 GLN HE21 . 18331 1
963 . 1 1 80 80 GLN HE22 H 1 7.560 0.001 . 1 . 98 . . 80 GLN HE22 . 18331 1
964 . 1 1 80 80 GLN C C 13 175.040 0.1 . 1 . 488 . . 80 GLN C . 18331 1
965 . 1 1 80 80 GLN CA C 13 56.242 0.024 . 1 . 327 . . 80 GLN CA . 18331 1
966 . 1 1 80 80 GLN CB C 13 29.821 0.055 . 1 . 275 . . 80 GLN CB . 18331 1
967 . 1 1 80 80 GLN CG C 13 34.129 0.011 . 1 . 576 . . 80 GLN CG . 18331 1
968 . 1 1 80 80 GLN CD C 13 180.415 0.1 . 1 . 490 . . 80 GLN CD . 18331 1
969 . 1 1 80 80 GLN N N 15 120.277 0.051 . 1 . 148 . . 80 GLN N . 18331 1
970 . 1 1 80 80 GLN NE2 N 15 112.885 0.065 . 1 . 70 . . 80 GLN NE2 . 18331 1
971 . 1 1 81 81 GLN H H 1 8.059 0.003 . 1 . 123 . . 81 GLN H . 18331 1
972 . 1 1 81 81 GLN HA H 1 4.097 0.001 . 1 . 823 . . 81 GLN HA . 18331 1
973 . 1 1 81 81 GLN HB2 H 1 1.881 0.004 . 2 . 826 . . 81 GLN HB2 . 18331 1
974 . 1 1 81 81 GLN HB3 H 1 2.075 0.007 . 2 . 825 . . 81 GLN HB3 . 18331 1
975 . 1 1 81 81 GLN HG2 H 1 2.277 0.003 . 2 . 824 . . 81 GLN HG2 . 18331 1
976 . 1 1 81 81 GLN HG3 H 1 2.278 0.02 . 2 . 870 . . 81 GLN HG3 . 18331 1
977 . 1 1 81 81 GLN HE21 H 1 6.756 0.002 . 1 . 41 . . 81 GLN HE21 . 18331 1
978 . 1 1 81 81 GLN HE22 H 1 7.456 0.002 . 1 . 18 . . 81 GLN HE22 . 18331 1
979 . 1 1 81 81 GLN CA C 13 57.506 0.04 . 1 . 486 . . 81 GLN CA . 18331 1
980 . 1 1 81 81 GLN CB C 13 30.341 0.002 . 1 . 487 . . 81 GLN CB . 18331 1
981 . 1 1 81 81 GLN CG C 13 34.334 0.063 . 1 . 885 . . 81 GLN CG . 18331 1
982 . 1 1 81 81 GLN CD C 13 181.228 0.1 . 1 . 489 . . 81 GLN CD . 18331 1
983 . 1 1 81 81 GLN N N 15 126.502 0.045 . 1 . 124 . . 81 GLN N . 18331 1
984 . 1 1 81 81 GLN NE2 N 15 112.450 0.083 . 1 . 42 . . 81 GLN NE2 . 18331 1
stop_
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