Content for NMR-STAR saveframe, "assigned_chem_shift_list_1_2"
save_assigned_chem_shift_list_1_2
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1_2
_Assigned_chem_shift_list.Entry_ID 19541
_Assigned_chem_shift_list.ID 2
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $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
3 '3D 1H-15N NOESY' 1 $sample_1 isotropic 19541 2
4 '3D 1H-13C NOESY' 1 $sample_1 isotropic 19541 2
5 '2D 1H-1H NOESY' 1 $sample_1 isotropic 19541 2
6 '3D 1H-13C NOESY' 1 $sample_1 isotropic 19541 2
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 1 5 5 MET H H 1 8.232 . . 1 . . 876 . . 5 MET H . 19541 2
2 . 1 1 5 5 MET HA H 1 4.399 . . 1 . . 238 . . 5 MET HA . 19541 2
3 . 1 1 5 5 MET N N 15 110.338 . . 1 . . 450 . . 5 MET N . 19541 2
4 . 1 1 6 6 ALA H H 1 8.349 0.057 . 1 . . 237 . . 6 ALA H . 19541 2
5 . 1 1 6 6 ALA HB1 H 1 1.330 . . 1 . . 453 . . 6 ALA HB1 . 19541 2
6 . 1 1 6 6 ALA HB2 H 1 1.330 . . 1 . . 453 . . 6 ALA HB2 . 19541 2
7 . 1 1 6 6 ALA HB3 H 1 1.330 . . 1 . . 453 . . 6 ALA HB3 . 19541 2
8 . 1 1 6 6 ALA N N 15 125.812 2.271 . 1 . . 239 . . 6 ALA N . 19541 2
9 . 1 1 7 7 MET H H 1 10.612 0.007 . 1 . . 739 . . 7 MET H . 19541 2
10 . 1 1 7 7 MET N N 15 122.163 . . 1 . . 858 . . 7 MET N . 19541 2
11 . 1 1 8 8 PHE H H 1 9.623 0.01 . 1 . . 454 . . 8 PHE H . 19541 2
12 . 1 1 8 8 PHE HA H 1 4.084 0.001 . 1 . . 406 . . 8 PHE HA . 19541 2
13 . 1 1 8 8 PHE HB2 H 1 3.298 0.002 . 2 . . 405 . . 8 PHE HB2 . 19541 2
14 . 1 1 8 8 PHE HB3 H 1 2.915 0.0 . 2 . . 404 . . 8 PHE HB3 . 19541 2
15 . 1 1 8 8 PHE HD1 H 1 7.108 0.004 . 3 . . 4 . . 8 PHE HD1 . 19541 2
16 . 1 1 8 8 PHE HD2 H 1 7.108 0.004 . 3 . . 4 . . 8 PHE HD2 . 19541 2
17 . 1 1 8 8 PHE HE1 H 1 6.702 0.003 . 3 . . 728 . . 8 PHE HE1 . 19541 2
18 . 1 1 8 8 PHE HE2 H 1 6.702 0.003 . 3 . . 728 . . 8 PHE HE2 . 19541 2
19 . 1 1 8 8 PHE HZ H 1 5.844 0.003 . 1 . . 624 . . 8 PHE HZ . 19541 2
20 . 1 1 8 8 PHE N N 15 122.601 . . 1 . . 455 . . 8 PHE N . 19541 2
21 . 1 1 9 9 TRP H H 1 6.614 0.005 . 1 . . 1 . . 9 TRP H . 19541 2
22 . 1 1 9 9 TRP HA H 1 3.852 . . 1 . . 311 . . 9 TRP HA . 19541 2
23 . 1 1 9 9 TRP HB2 H 1 2.621 . . 2 . . 402 . . 9 TRP HB2 . 19541 2
24 . 1 1 9 9 TRP HB3 H 1 2.510 . . 2 . . 403 . . 9 TRP HB3 . 19541 2
25 . 1 1 9 9 TRP HD1 H 1 6.708 0.01 . 1 . . 309 . . 9 TRP HD1 . 19541 2
26 . 1 1 9 9 TRP HE1 H 1 8.959 0.004 . 1 . . 1147 . . 9 TRP HE1 . 19541 2
27 . 1 1 9 9 TRP HE3 H 1 6.734 0.007 . 1 . . 310 . . 9 TRP HE3 . 19541 2
28 . 1 1 9 9 TRP HZ2 H 1 6.904 0.003 . 1 . . 312 . . 9 TRP HZ2 . 19541 2
29 . 1 1 9 9 TRP HZ3 H 1 6.301 0.005 . 1 . . 447 . . 9 TRP HZ3 . 19541 2
30 . 1 1 9 9 TRP HH2 H 1 6.505 0.007 . 1 . . 471 . . 9 TRP HH2 . 19541 2
31 . 1 1 9 9 TRP N N 15 129.608 0.0 . 1 . . 3 . . 9 TRP N . 19541 2
32 . 1 1 9 9 TRP NE1 N 15 127.175 0.035 . 1 . . 1148 . . 9 TRP NE1 . 19541 2
33 . 1 1 10 10 GLY H H 1 6.477 0.006 . 1 . . 17 . . 10 GLY H . 19541 2
34 . 1 1 10 10 GLY HA2 H 1 4.021 0.008 . 1 . . 306 . . 10 GLY HA2 . 19541 2
35 . 1 1 10 10 GLY HA3 H 1 4.021 0.008 . 1 . . 475 . . 10 GLY HA3 . 19541 2
36 . 1 1 10 10 GLY N N 15 109.886 0.034 . 1 . . 308 . . 10 GLY N . 19541 2
37 . 1 1 11 11 LEU H H 1 8.569 0.003 . 1 . . 16 . . 11 LEU H . 19541 2
38 . 1 1 11 11 LEU HA H 1 4.296 0.002 . 1 . . 301 . . 11 LEU HA . 19541 2
39 . 1 1 11 11 LEU HD11 H 1 0.795 0.011 . 2 . . 302 . . 11 LEU HD11 . 19541 2
40 . 1 1 11 11 LEU HD12 H 1 0.795 0.011 . 2 . . 302 . . 11 LEU HD12 . 19541 2
41 . 1 1 11 11 LEU HD13 H 1 0.795 0.011 . 2 . . 302 . . 11 LEU HD13 . 19541 2
42 . 1 1 11 11 LEU HD21 H 1 0.667 0.004 . 2 . . 303 . . 11 LEU HD21 . 19541 2
43 . 1 1 11 11 LEU HD22 H 1 0.667 0.004 . 2 . . 303 . . 11 LEU HD22 . 19541 2
44 . 1 1 11 11 LEU HD23 H 1 0.667 0.004 . 2 . . 303 . . 11 LEU HD23 . 19541 2
45 . 1 1 11 11 LEU CD1 C 13 22.792 0.019 . 2 . . 609 . . 11 LEU CD1 . 19541 2
46 . 1 1 11 11 LEU CD2 C 13 25.554 0.004 . 2 . . 611 . . 11 LEU CD2 . 19541 2
47 . 1 1 11 11 LEU N N 15 121.068 0.0 . 1 . . 307 . . 11 LEU N . 19541 2
48 . 1 1 12 12 ASN H H 1 8.760 0.003 . 1 . . 10 . . 12 ASN H . 19541 2
49 . 1 1 12 12 ASN HA H 1 5.570 0.003 . 1 . . 14 . . 12 ASN HA . 19541 2
50 . 1 1 12 12 ASN HB3 H 1 2.550 . . 1 . . 6 . . 12 ASN HB3 . 19541 2
51 . 1 1 12 12 ASN HD21 H 1 7.218 0.002 . 1 . . 5 . . 12 ASN HD21 . 19541 2
52 . 1 1 12 12 ASN HD22 H 1 6.303 0.005 . 1 . . 9 . . 12 ASN HD22 . 19541 2
53 . 1 1 12 12 ASN N N 15 126.761 0.0 . 1 . . 11 . . 12 ASN N . 19541 2
54 . 1 1 12 12 ASN ND2 N 15 113.404 0.0 . 1 . . 7 . . 12 ASN ND2 . 19541 2
55 . 1 1 13 13 MET H H 1 8.897 0.005 . 1 . . 12 . . 13 MET H . 19541 2
56 . 1 1 13 13 MET HA H 1 4.458 0.002 . 1 . . 22 . . 13 MET HA . 19541 2
57 . 1 1 13 13 MET HE1 H 1 2.038 0.001 . 1 . . 398 . . 13 MET HE1 . 19541 2
58 . 1 1 13 13 MET HE2 H 1 2.038 0.001 . 1 . . 398 . . 13 MET HE2 . 19541 2
59 . 1 1 13 13 MET HE3 H 1 2.038 0.001 . 1 . . 398 . . 13 MET HE3 . 19541 2
60 . 1 1 13 13 MET N N 15 120.189 0.008 . 1 . . 13 . . 13 MET N . 19541 2
61 . 1 1 14 14 LYS H H 1 8.746 0.002 . 1 . . 20 . . 14 LYS H . 19541 2
62 . 1 1 14 14 LYS N N 15 125.447 . . 1 . . 21 . . 14 LYS N . 19541 2
63 . 1 1 15 15 PRO HA H 1 4.707 . . 1 . . 798 . . 15 PRO HA . 19541 2
64 . 1 1 16 16 GLU H H 1 8.338 0.007 . 1 . . 407 . . 16 GLU H . 19541 2
65 . 1 1 16 16 GLU HA H 1 4.233 . . 1 . . 409 . . 16 GLU HA . 19541 2
66 . 1 1 16 16 GLU N N 15 114.718 0.0 . 1 . . 408 . . 16 GLU N . 19541 2
67 . 1 1 17 17 ARG H H 1 7.829 0.006 . 1 . . 205 . . 17 ARG H . 19541 2
68 . 1 1 17 17 ARG HA H 1 4.294 . . 1 . . 441 . . 17 ARG HA . 19541 2
69 . 1 1 17 17 ARG N N 15 120.849 0.002 . 1 . . 206 . . 17 ARG N . 19541 2
70 . 1 1 18 18 LYS H H 1 8.470 0.002 . 1 . . 210 . . 18 LYS H . 19541 2
71 . 1 1 18 18 LYS HA H 1 4.669 0.007 . 1 . . 413 . . 18 LYS HA . 19541 2
72 . 1 1 18 18 LYS N N 15 121.068 0.001 . 1 . . 211 . . 18 LYS N . 19541 2
73 . 1 1 19 19 TYR H H 1 9.258 0.005 . 1 . . 411 . . 19 TYR H . 19541 2
74 . 1 1 19 19 TYR HB2 H 1 2.964 0.001 . 2 . . 835 . . 19 TYR HB2 . 19541 2
75 . 1 1 19 19 TYR HB3 H 1 3.232 0.004 . 2 . . 854 . . 19 TYR HB3 . 19541 2
76 . 1 1 19 19 TYR HD1 H 1 7.418 0.004 . 3 . . 143 . . 19 TYR HD1 . 19541 2
77 . 1 1 19 19 TYR HD2 H 1 7.418 0.004 . 3 . . 143 . . 19 TYR HD2 . 19541 2
78 . 1 1 19 19 TYR HE1 H 1 7.132 0.006 . 3 . . 19 . . 19 TYR HE1 . 19541 2
79 . 1 1 19 19 TYR HE2 H 1 7.132 0.006 . 3 . . 19 . . 19 TYR HE2 . 19541 2
80 . 1 1 19 19 TYR N N 15 123.258 0.0 . 1 . . 412 . . 19 TYR N . 19541 2
81 . 1 1 20 20 SER H H 1 8.962 0.007 . 1 . . 142 . . 20 SER H . 19541 2
82 . 1 1 20 20 SER HA H 1 4.637 . . 1 . . 377 . . 20 SER HA . 19541 2
83 . 1 1 20 20 SER N N 15 122.601 0.0 . 1 . . 144 . . 20 SER N . 19541 2
84 . 1 1 21 21 GLN H H 1 8.439 0.003 . 1 . . 146 . . 21 GLN H . 19541 2
85 . 1 1 21 21 GLN HA H 1 4.625 . . 1 . . 137 . . 21 GLN HA . 19541 2
86 . 1 1 21 21 GLN HE21 H 1 6.926 0.004 . 1 . . 462 . . 21 GLN HE21 . 19541 2
87 . 1 1 21 21 GLN HE22 H 1 6.584 0.008 . 1 . . 463 . . 21 GLN HE22 . 19541 2
88 . 1 1 21 21 GLN N N 15 122.820 . . 1 . . 150 . . 21 GLN N . 19541 2
89 . 1 1 21 21 GLN NE2 N 15 111.433 0.0 . 1 . . 464 . . 21 GLN NE2 . 19541 2
90 . 1 1 22 22 THR H H 1 8.950 0.006 . 1 . . 133 . . 22 THR H . 19541 2
91 . 1 1 22 22 THR HA H 1 4.422 . . 1 . . 138 . . 22 THR HA . 19541 2
92 . 1 1 22 22 THR HB H 1 4.096 . . 1 . . 136 . . 22 THR HB . 19541 2
93 . 1 1 22 22 THR HG21 H 1 1.158 . . 1 . . 134 . . 22 THR HG21 . 19541 2
94 . 1 1 22 22 THR HG22 H 1 1.158 . . 1 . . 134 . . 22 THR HG22 . 19541 2
95 . 1 1 22 22 THR HG23 H 1 1.158 . . 1 . . 134 . . 22 THR HG23 . 19541 2
96 . 1 1 22 22 THR N N 15 122.783 0.082 . 1 . . 135 . . 22 THR N . 19541 2
97 . 1 1 23 23 ILE H H 1 8.835 0.005 . 1 . . 139 . . 23 ILE H . 19541 2
98 . 1 1 23 23 ILE HA H 1 4.032 0.005 . 1 . . 141 . . 23 ILE HA . 19541 2
99 . 1 1 23 23 ILE HG21 H 1 0.680 0.002 . 1 . . 417 . . 23 ILE HG21 . 19541 2
100 . 1 1 23 23 ILE HG22 H 1 0.680 0.002 . 1 . . 417 . . 23 ILE HG22 . 19541 2
101 . 1 1 23 23 ILE HG23 H 1 0.680 0.002 . 1 . . 417 . . 23 ILE HG23 . 19541 2
102 . 1 1 23 23 ILE HD11 H 1 0.885 0.01 . 1 . . 260 . . 23 ILE HD11 . 19541 2
103 . 1 1 23 23 ILE HD12 H 1 0.885 0.01 . 1 . . 260 . . 23 ILE HD12 . 19541 2
104 . 1 1 23 23 ILE HD13 H 1 0.885 0.01 . 1 . . 260 . . 23 ILE HD13 . 19541 2
105 . 1 1 23 23 ILE CD1 C 13 13.593 0.004 . 1 . . 691 . . 23 ILE CD1 . 19541 2
106 . 1 1 23 23 ILE N N 15 128.075 0.0 . 1 . . 140 . . 23 ILE N . 19541 2
107 . 1 1 24 24 ILE H H 1 8.442 0.006 . 1 . . 183 . . 24 ILE H . 19541 2
108 . 1 1 24 24 ILE HA H 1 4.287 . . 1 . . 184 . . 24 ILE HA . 19541 2
109 . 1 1 24 24 ILE HD11 H 1 0.877 0.003 . 1 . . 259 . . 24 ILE HD11 . 19541 2
110 . 1 1 24 24 ILE HD12 H 1 0.877 0.003 . 1 . . 259 . . 24 ILE HD12 . 19541 2
111 . 1 1 24 24 ILE HD13 H 1 0.877 0.003 . 1 . . 259 . . 24 ILE HD13 . 19541 2
112 . 1 1 24 24 ILE CD1 C 13 12.405 0.004 . 1 . . 576 . . 24 ILE CD1 . 19541 2
113 . 1 1 24 24 ILE N N 15 125.447 0.0 . 1 . . 185 . . 24 ILE N . 19541 2
114 . 1 1 25 25 LYS H H 1 7.749 0.004 . 1 . . 235 . . 25 LYS H . 19541 2
115 . 1 1 25 25 LYS HA H 1 4.612 . . 1 . . 419 . . 25 LYS HA . 19541 2
116 . 1 1 25 25 LYS N N 15 119.973 0.0 . 1 . . 236 . . 25 LYS N . 19541 2
117 . 1 1 26 26 SER H H 1 8.685 0.004 . 1 . . 232 . . 26 SER H . 19541 2
118 . 1 1 26 26 SER HA H 1 4.615 . . 1 . . 425 . . 26 SER HA . 19541 2
119 . 1 1 26 26 SER HB2 H 1 4.026 . . 1 . . 426 . . 26 SER HB2 . 19541 2
120 . 1 1 26 26 SER HB3 H 1 4.026 . . 1 . . 484 . . 26 SER HB3 . 19541 2
121 . 1 1 26 26 SER N N 15 117.564 0.0 . 1 . . 424 . . 26 SER N . 19541 2
122 . 1 1 27 27 PHE H H 1 8.471 0.007 . 1 . . 231 . . 27 PHE H . 19541 2
123 . 1 1 27 27 PHE HB2 H 1 2.250 0.008 . 2 . . 449 . . 27 PHE HB2 . 19541 2
124 . 1 1 27 27 PHE HB3 H 1 2.782 0.008 . 2 . . 448 . . 27 PHE HB3 . 19541 2
125 . 1 1 27 27 PHE HD1 H 1 6.318 0.007 . 3 . . 318 . . 27 PHE HD1 . 19541 2
126 . 1 1 27 27 PHE HD2 H 1 6.318 0.007 . 3 . . 318 . . 27 PHE HD2 . 19541 2
127 . 1 1 27 27 PHE HE1 H 1 6.173 0.003 . 3 . . 451 . . 27 PHE HE1 . 19541 2
128 . 1 1 27 27 PHE HE2 H 1 6.173 0.003 . 3 . . 451 . . 27 PHE HE2 . 19541 2
129 . 1 1 27 27 PHE HZ H 1 6.385 0.012 . 1 . . 452 . . 27 PHE HZ . 19541 2
130 . 1 1 27 27 PHE N N 15 118.878 0.0 . 1 . . 233 . . 27 PHE N . 19541 2
131 . 1 1 28 28 HIS H H 1 8.777 0.003 . 1 . . 317 . . 28 HIS H . 19541 2
132 . 1 1 28 28 HIS HA H 1 5.046 . . 1 . . 862 . . 28 HIS HA . 19541 2
133 . 1 1 28 28 HIS N N 15 118.659 0.0 . 1 . . 319 . . 28 HIS N . 19541 2
134 . 1 1 29 29 ILE H H 1 8.208 0.003 . 1 . . 428 . . 29 ILE H . 19541 2
135 . 1 1 29 29 ILE HA H 1 4.050 0.006 . 1 . . 430 . . 29 ILE HA . 19541 2
136 . 1 1 29 29 ILE HB H 1 1.345 . . 1 . . 813 . . 29 ILE HB . 19541 2
137 . 1 1 29 29 ILE HG12 H 1 1.057 . . 2 . . 787 . . 29 ILE HG12 . 19541 2
138 . 1 1 29 29 ILE HG13 H 1 0.677 0.003 . 2 . . 857 . . 29 ILE HG13 . 19541 2
139 . 1 1 29 29 ILE HG21 H 1 0.803 . . 1 . . 431 . . 29 ILE HG21 . 19541 2
140 . 1 1 29 29 ILE HG22 H 1 0.803 . . 1 . . 431 . . 29 ILE HG22 . 19541 2
141 . 1 1 29 29 ILE HG23 H 1 0.803 . . 1 . . 431 . . 29 ILE HG23 . 19541 2
142 . 1 1 29 29 ILE HD11 H 1 0.479 0.007 . 1 . . 432 . . 29 ILE HD11 . 19541 2
143 . 1 1 29 29 ILE HD12 H 1 0.479 0.007 . 1 . . 432 . . 29 ILE HD12 . 19541 2
144 . 1 1 29 29 ILE HD13 H 1 0.479 0.007 . 1 . . 432 . . 29 ILE HD13 . 19541 2
145 . 1 1 29 29 ILE CD1 C 13 14.339 0.006 . 1 . . 695 . . 29 ILE CD1 . 19541 2
146 . 1 1 29 29 ILE N N 15 124.134 0.0 . 1 . . 429 . . 29 ILE N . 19541 2
147 . 1 1 30 30 SER H H 1 9.628 0.002 . 1 . . 43 . . 30 SER H . 19541 2
148 . 1 1 30 30 SER HG H 1 5.397 0.001 . 1 . . 1109 . . 30 SER HG . 19541 2
149 . 1 1 30 30 SER N N 15 118.659 0.0 . 1 . . 44 . . 30 SER N . 19541 2
150 . 1 1 31 31 GLY H H 1 8.022 0.003 . 1 . . 41 . . 31 GLY H . 19541 2
151 . 1 1 31 31 GLY HA2 H 1 4.666 . . 2 . . 457 . . 31 GLY HA2 . 19541 2
152 . 1 1 31 31 GLY HA3 H 1 4.178 . . 2 . . 114 . . 31 GLY HA3 . 19541 2
153 . 1 1 31 31 GLY N N 15 111.207 0.013 . 1 . . 435 . . 31 GLY N . 19541 2
154 . 1 1 32 32 VAL H H 1 8.256 0.008 . 1 . . 40 . . 32 VAL H . 19541 2
155 . 1 1 32 32 VAL HA H 1 5.467 0.006 . 1 . . 39 . . 32 VAL HA . 19541 2
156 . 1 1 32 32 VAL HG11 H 1 0.750 0.005 . 2 . . 117 . . 32 VAL HG11 . 19541 2
157 . 1 1 32 32 VAL HG12 H 1 0.750 0.005 . 2 . . 117 . . 32 VAL HG12 . 19541 2
158 . 1 1 32 32 VAL HG13 H 1 0.750 0.005 . 2 . . 117 . . 32 VAL HG13 . 19541 2
159 . 1 1 32 32 VAL HG21 H 1 0.709 0.012 . 2 . . 116 . . 32 VAL HG21 . 19541 2
160 . 1 1 32 32 VAL HG22 H 1 0.709 0.012 . 2 . . 116 . . 32 VAL HG22 . 19541 2
161 . 1 1 32 32 VAL HG23 H 1 0.709 0.012 . 2 . . 116 . . 32 VAL HG23 . 19541 2
162 . 1 1 32 32 VAL CG1 C 13 21.731 . . 2 . . 607 . . 32 VAL CG1 . 19541 2
163 . 1 1 32 32 VAL CG2 C 13 19.228 0.003 . 2 . . 696 . . 32 VAL CG2 . 19541 2
164 . 1 1 32 32 VAL N N 15 117.345 . . 1 . . 42 . . 32 VAL N . 19541 2
165 . 1 1 33 33 ALA H H 1 8.437 0.005 . 1 . . 30 . . 33 ALA H . 19541 2
166 . 1 1 33 33 ALA HA H 1 5.204 0.004 . 1 . . 91 . . 33 ALA HA . 19541 2
167 . 1 1 33 33 ALA HB1 H 1 1.364 . . 1 . . 92 . . 33 ALA HB1 . 19541 2
168 . 1 1 33 33 ALA HB2 H 1 1.364 . . 1 . . 92 . . 33 ALA HB2 . 19541 2
169 . 1 1 33 33 ALA HB3 H 1 1.364 . . 1 . . 92 . . 33 ALA HB3 . 19541 2
170 . 1 1 33 33 ALA N N 15 127.856 . . 1 . . 38 . . 33 ALA N . 19541 2
171 . 1 1 34 34 LEU H H 1 8.951 0.007 . 1 . . 37 . . 34 LEU H . 19541 2
172 . 1 1 34 34 LEU HA H 1 4.377 0.007 . 1 . . 103 . . 34 LEU HA . 19541 2
173 . 1 1 34 34 LEU HB2 H 1 1.619 . . 2 . . 106 . . 34 LEU HB2 . 19541 2
174 . 1 1 34 34 LEU HB3 H 1 1.330 . . 2 . . 89 . . 34 LEU HB3 . 19541 2
175 . 1 1 34 34 LEU HD11 H 1 0.429 0.01 . 2 . . 109 . . 34 LEU HD11 . 19541 2
176 . 1 1 34 34 LEU HD12 H 1 0.429 0.01 . 2 . . 109 . . 34 LEU HD12 . 19541 2
177 . 1 1 34 34 LEU HD13 H 1 0.429 0.01 . 2 . . 109 . . 34 LEU HD13 . 19541 2
178 . 1 1 34 34 LEU HD21 H 1 0.350 0.012 . 2 . . 397 . . 34 LEU HD21 . 19541 2
179 . 1 1 34 34 LEU HD22 H 1 0.350 0.012 . 2 . . 397 . . 34 LEU HD22 . 19541 2
180 . 1 1 34 34 LEU HD23 H 1 0.350 0.012 . 2 . . 397 . . 34 LEU HD23 . 19541 2
181 . 1 1 34 34 LEU CD1 C 13 25.555 0.004 . 2 . . 552 . . 34 LEU CD1 . 19541 2
182 . 1 1 34 34 LEU CD2 C 13 25.380 0.02 . 2 . . 742 . . 34 LEU CD2 . 19541 2
183 . 1 1 34 34 LEU N N 15 120.192 0.0 . 1 . . 90 . . 34 LEU N . 19541 2
184 . 1 1 35 35 ASP H H 1 8.961 0.009 . 1 . . 50 . . 35 ASP H . 19541 2
185 . 1 1 35 35 ASP N N 15 124.791 0.0 . 1 . . 51 . . 35 ASP N . 19541 2
186 . 1 1 36 36 LYS H H 1 7.448 0.011 . 1 . . 52 . . 36 LYS H . 19541 2
187 . 1 1 36 36 LYS HA H 1 4.626 . . 1 . . 257 . . 36 LYS HA . 19541 2
188 . 1 1 36 36 LYS N N 15 115.813 . . 1 . . 53 . . 36 LYS N . 19541 2
189 . 1 1 37 37 GLY H H 1 8.133 0.01 . 1 . . 54 . . 37 GLY H . 19541 2
190 . 1 1 37 37 GLY HA2 H 1 3.720 0.0 . 2 . . 251 . . 37 GLY HA2 . 19541 2
191 . 1 1 37 37 GLY HA3 H 1 4.306 0.002 . 2 . . 100 . . 37 GLY HA3 . 19541 2
192 . 1 1 37 37 GLY N N 15 108.368 0.0 . 1 . . 58 . . 37 GLY N . 19541 2
193 . 1 1 38 38 GLN H H 1 10.370 0.003 . 1 . . 60 . . 38 GLN H . 19541 2
194 . 1 1 38 38 GLN HA H 1 4.419 . . 1 . . 244 . . 38 GLN HA . 19541 2
195 . 1 1 38 38 GLN HE21 H 1 7.657 0.001 . 1 . . 248 . . 38 GLN HE21 . 19541 2
196 . 1 1 38 38 GLN N N 15 117.783 0.0 . 1 . . 61 . . 38 GLN N . 19541 2
197 . 1 1 38 38 GLN NE2 N 15 111.871 . . 1 . . 247 . . 38 GLN NE2 . 19541 2
198 . 1 1 39 39 GLU H H 1 9.097 0.003 . 1 . . 57 . . 39 GLU H . 19541 2
199 . 1 1 39 39 GLU HA H 1 5.069 0.004 . 1 . . 459 . . 39 GLU HA . 19541 2
200 . 1 1 39 39 GLU N N 15 119.448 0.107 . 1 . . 59 . . 39 GLU N . 19541 2
201 . 1 1 40 40 ALA H H 1 9.063 0.015 . 1 . . 65 . . 40 ALA H . 19541 2
202 . 1 1 40 40 ALA HA H 1 5.032 . . 1 . . 94 . . 40 ALA HA . 19541 2
203 . 1 1 40 40 ALA N N 15 125.300 0.0 . 1 . . 67 . . 40 ALA N . 19541 2
204 . 1 1 41 41 LYS H H 1 8.903 0.008 . 1 . . 93 . . 41 LYS H . 19541 2
205 . 1 1 41 41 LYS HA H 1 4.969 . . 1 . . 870 . . 41 LYS HA . 19541 2
206 . 1 1 41 41 LYS N N 15 120.657 0.054 . 1 . . 95 . . 41 LYS N . 19541 2
207 . 1 1 42 42 LEU H H 1 9.169 0.006 . 1 . . 261 . . 42 LEU H . 19541 2
208 . 1 1 42 42 LEU HA H 1 4.540 . . 1 . . 401 . . 42 LEU HA . 19541 2
209 . 1 1 42 42 LEU HD11 H 1 0.823 0.009 . 2 . . 386 . . 42 LEU HD11 . 19541 2
210 . 1 1 42 42 LEU HD12 H 1 0.823 0.009 . 2 . . 386 . . 42 LEU HD12 . 19541 2
211 . 1 1 42 42 LEU HD13 H 1 0.823 0.009 . 2 . . 386 . . 42 LEU HD13 . 19541 2
212 . 1 1 42 42 LEU HD21 H 1 0.544 0.011 . 2 . . 460 . . 42 LEU HD21 . 19541 2
213 . 1 1 42 42 LEU HD22 H 1 0.544 0.011 . 2 . . 460 . . 42 LEU HD22 . 19541 2
214 . 1 1 42 42 LEU HD23 H 1 0.544 0.011 . 2 . . 460 . . 42 LEU HD23 . 19541 2
215 . 1 1 42 42 LEU CD1 C 13 23.822 0.073 . 2 . . 718 . . 42 LEU CD1 . 19541 2
216 . 1 1 42 42 LEU CD2 C 13 26.995 0.012 . 2 . . 756 . . 42 LEU CD2 . 19541 2
217 . 1 1 42 42 LEU N N 15 123.696 0.0 . 1 . . 262 . . 42 LEU N . 19541 2
218 . 1 1 43 43 TYR H H 1 9.313 0.003 . 1 . . 381 . . 43 TYR H . 19541 2
219 . 1 1 43 43 TYR HA H 1 5.077 0.005 . 1 . . 400 . . 43 TYR HA . 19541 2
220 . 1 1 43 43 TYR HB2 H 1 2.263 0.0 . 1 . . 977 . . 43 TYR HB2 . 19541 2
221 . 1 1 43 43 TYR HB3 H 1 2.263 0.0 . 1 . . 979 . . 43 TYR HB3 . 19541 2
222 . 1 1 43 43 TYR HD1 H 1 6.703 0.013 . 3 . . 320 . . 43 TYR HD1 . 19541 2
223 . 1 1 43 43 TYR HD2 H 1 6.703 0.013 . 3 . . 320 . . 43 TYR HD2 . 19541 2
224 . 1 1 43 43 TYR HE1 H 1 6.630 0.011 . 3 . . 636 . . 43 TYR HE1 . 19541 2
225 . 1 1 43 43 TYR HE2 H 1 6.630 0.011 . 3 . . 636 . . 43 TYR HE2 . 19541 2
226 . 1 1 43 43 TYR N N 15 125.447 0.0 . 1 . . 399 . . 43 TYR N . 19541 2
227 . 1 1 44 44 LEU H H 1 8.767 0.005 . 1 . . 110 . . 44 LEU H . 19541 2
228 . 1 1 44 44 LEU HA H 1 5.080 0.006 . 1 . . 111 . . 44 LEU HA . 19541 2
229 . 1 1 44 44 LEU HD11 H 1 0.346 0.017 . 2 . . 81 . . 44 LEU HD11 . 19541 2
230 . 1 1 44 44 LEU HD12 H 1 0.346 0.017 . 2 . . 81 . . 44 LEU HD12 . 19541 2
231 . 1 1 44 44 LEU HD13 H 1 0.346 0.017 . 2 . . 81 . . 44 LEU HD13 . 19541 2
232 . 1 1 44 44 LEU HD21 H 1 0.381 0.011 . 2 . . 305 . . 44 LEU HD21 . 19541 2
233 . 1 1 44 44 LEU HD22 H 1 0.381 0.011 . 2 . . 305 . . 44 LEU HD22 . 19541 2
234 . 1 1 44 44 LEU HD23 H 1 0.381 0.011 . 2 . . 305 . . 44 LEU HD23 . 19541 2
235 . 1 1 44 44 LEU CD1 C 13 25.306 0.005 . 2 . . 514 . . 44 LEU CD1 . 19541 2
236 . 1 1 44 44 LEU CD2 C 13 27.045 0.019 . 2 . . 616 . . 44 LEU CD2 . 19541 2
237 . 1 1 44 44 LEU N N 15 118.659 0.0 . 1 . . 112 . . 44 LEU N . 19541 2
238 . 1 1 45 45 ALA H H 1 9.102 0.005 . 1 . . 48 . . 45 ALA H . 19541 2
239 . 1 1 45 45 ALA HA H 1 5.573 . . 1 . . 71 . . 45 ALA HA . 19541 2
240 . 1 1 45 45 ALA HB1 H 1 1.374 0.0 . 1 . . 69 . . 45 ALA HB1 . 19541 2
241 . 1 1 45 45 ALA HB2 H 1 1.374 0.0 . 1 . . 69 . . 45 ALA HB2 . 19541 2
242 . 1 1 45 45 ALA HB3 H 1 1.374 0.0 . 1 . . 69 . . 45 ALA HB3 . 19541 2
243 . 1 1 45 45 ALA N N 15 125.968 0.106 . 1 . . 72 . . 45 ALA N . 19541 2
244 . 1 1 46 46 ALA H H 1 8.586 0.003 . 1 . . 68 . . 46 ALA H . 19541 2
245 . 1 1 46 46 ALA HA H 1 4.760 . . 1 . . 181 . . 46 ALA HA . 19541 2
246 . 1 1 46 46 ALA HB1 H 1 1.031 . . 1 . . 180 . . 46 ALA HB1 . 19541 2
247 . 1 1 46 46 ALA HB2 H 1 1.031 . . 1 . . 180 . . 46 ALA HB2 . 19541 2
248 . 1 1 46 46 ALA HB3 H 1 1.031 . . 1 . . 180 . . 46 ALA HB3 . 19541 2
249 . 1 1 46 46 ALA N N 15 124.791 . . 1 . . 70 . . 46 ALA N . 19541 2
250 . 1 1 47 47 GLU H H 1 9.499 0.005 . 1 . . 74 . . 47 GLU H . 19541 2
251 . 1 1 47 47 GLU HA H 1 3.902 . . 1 . . 212 . . 47 GLU HA . 19541 2
252 . 1 1 47 47 GLU N N 15 122.163 . . 1 . . 182 . . 47 GLU N . 19541 2
253 . 1 1 48 48 LYS H H 1 8.634 0.005 . 1 . . 213 . . 48 LYS H . 19541 2
254 . 1 1 48 48 LYS HA H 1 3.917 0.002 . 1 . . 214 . . 48 LYS HA . 19541 2
255 . 1 1 48 48 LYS N N 15 111.871 . . 1 . . 215 . . 48 LYS N . 19541 2
256 . 1 1 49 49 GLN H H 1 7.887 0.002 . 1 . . 75 . . 49 GLN H . 19541 2
257 . 1 1 49 49 GLN HA H 1 4.518 . . 1 . . 216 . . 49 GLN HA . 19541 2
258 . 1 1 49 49 GLN HB2 H 1 1.940 . . 1 . . 333 . . 49 GLN HB2 . 19541 2
259 . 1 1 49 49 GLN HG3 H 1 2.230 0.005 . 1 . . 334 . . 49 GLN HG3 . 19541 2
260 . 1 1 49 49 GLN HE21 H 1 7.538 . . 1 . . 330 . . 49 GLN HE21 . 19541 2
261 . 1 1 49 49 GLN N N 15 118.807 0.096 . 1 . . 217 . . 49 GLN N . 19541 2
262 . 1 1 49 49 GLN NE2 N 15 112.966 . . 1 . . 461 . . 49 GLN NE2 . 19541 2
263 . 1 1 50 50 GLU H H 1 8.110 0.002 . 1 . . 329 . . 50 GLU H . 19541 2
264 . 1 1 50 50 GLU HA H 1 5.066 . . 1 . . 304 . . 50 GLU HA . 19541 2
265 . 1 1 50 50 GLU N N 15 120.613 0.046 . 1 . . 336 . . 50 GLU N . 19541 2
266 . 1 1 51 51 TYR H H 1 9.529 0.005 . 1 . . 73 . . 51 TYR H . 19541 2
267 . 1 1 51 51 TYR HA H 1 4.851 0.004 . 1 . . 339 . . 51 TYR HA . 19541 2
268 . 1 1 51 51 TYR HB2 H 1 2.865 0.003 . 2 . . 837 . . 51 TYR HB2 . 19541 2
269 . 1 1 51 51 TYR HB3 H 1 2.734 0.001 . 2 . . 855 . . 51 TYR HB3 . 19541 2
270 . 1 1 51 51 TYR HD1 H 1 7.005 0.003 . 3 . . 76 . . 51 TYR HD1 . 19541 2
271 . 1 1 51 51 TYR HD2 H 1 7.005 0.003 . 3 . . 76 . . 51 TYR HD2 . 19541 2
272 . 1 1 51 51 TYR HE1 H 1 6.453 0.003 . 3 . . 77 . . 51 TYR HE1 . 19541 2
273 . 1 1 51 51 TYR HE2 H 1 6.453 0.003 . 3 . . 77 . . 51 TYR HE2 . 19541 2
274 . 1 1 51 51 TYR N N 15 123.457 0.063 . 1 . . 243 . . 51 TYR N . 19541 2
275 . 1 1 52 52 ILE H H 1 8.438 0.002 . 1 . . 186 . . 52 ILE H . 19541 2
276 . 1 1 52 52 ILE HA H 1 4.280 0.009 . 1 . . 191 . . 52 ILE HA . 19541 2
277 . 1 1 52 52 ILE HB H 1 1.551 . . 1 . . 190 . . 52 ILE HB . 19541 2
278 . 1 1 52 52 ILE HD11 H 1 0.411 0.005 . 1 . . 187 . . 52 ILE HD11 . 19541 2
279 . 1 1 52 52 ILE HD12 H 1 0.411 0.005 . 1 . . 187 . . 52 ILE HD12 . 19541 2
280 . 1 1 52 52 ILE HD13 H 1 0.411 0.005 . 1 . . 187 . . 52 ILE HD13 . 19541 2
281 . 1 1 52 52 ILE CD1 C 13 13.371 0.035 . 1 . . 579 . . 52 ILE CD1 . 19541 2
282 . 1 1 52 52 ILE N N 15 121.735 0.032 . 1 . . 188 . . 52 ILE N . 19541 2
283 . 1 1 53 53 VAL H H 1 8.786 0.007 . 1 . . 192 . . 53 VAL H . 19541 2
284 . 1 1 53 53 VAL HA H 1 3.910 0.001 . 1 . . 458 . . 53 VAL HA . 19541 2
285 . 1 1 53 53 VAL HG11 H 1 0.765 0.016 . 2 . . 300 . . 53 VAL HG11 . 19541 2
286 . 1 1 53 53 VAL HG12 H 1 0.765 0.016 . 2 . . 300 . . 53 VAL HG12 . 19541 2
287 . 1 1 53 53 VAL HG13 H 1 0.765 0.016 . 2 . . 300 . . 53 VAL HG13 . 19541 2
288 . 1 1 53 53 VAL HG21 H 1 0.806 0.009 . 2 . . 299 . . 53 VAL HG21 . 19541 2
289 . 1 1 53 53 VAL HG22 H 1 0.806 0.009 . 2 . . 299 . . 53 VAL HG22 . 19541 2
290 . 1 1 53 53 VAL HG23 H 1 0.806 0.009 . 2 . . 299 . . 53 VAL HG23 . 19541 2
291 . 1 1 53 53 VAL CG1 C 13 23.794 0.009 . 2 . . 779 . . 53 VAL CG1 . 19541 2
292 . 1 1 53 53 VAL CG2 C 13 22.740 0.02 . 2 . . 612 . . 53 VAL CG2 . 19541 2
293 . 1 1 53 53 VAL N N 15 123.696 0.0 . 1 . . 193 . . 53 VAL N . 19541 2
294 . 1 1 54 54 ALA H H 1 7.142 0.008 . 1 . . 159 . . 54 ALA H . 19541 2
295 . 1 1 54 54 ALA HA H 1 4.463 . . 1 . . 157 . . 54 ALA HA . 19541 2
296 . 1 1 54 54 ALA N N 15 112.526 0.003 . 1 . . 161 . . 54 ALA N . 19541 2
297 . 1 1 55 55 THR H H 1 9.145 0.006 . 1 . . 154 . . 55 THR H . 19541 2
298 . 1 1 55 55 THR HA H 1 4.804 . . 1 . . 158 . . 55 THR HA . 19541 2
299 . 1 1 55 55 THR HB H 1 4.015 . . 1 . . 163 . . 55 THR HB . 19541 2
300 . 1 1 55 55 THR HG1 H 1 6.376 0.003 . 1 . . 162 . . 55 THR HG1 . 19541 2
301 . 1 1 55 55 THR N N 15 117.822 0.05 . 1 . . 156 . . 55 THR N . 19541 2
302 . 1 1 56 56 VAL H H 1 9.008 0.015 . 1 . . 119 . . 56 VAL H . 19541 2
303 . 1 1 56 56 VAL HA H 1 4.930 0.009 . 1 . . 124 . . 56 VAL HA . 19541 2
304 . 1 1 56 56 VAL HB H 1 2.038 . . 1 . . 123 . . 56 VAL HB . 19541 2
305 . 1 1 56 56 VAL HG11 H 1 0.802 0.01 . 2 . . 121 . . 56 VAL HG11 . 19541 2
306 . 1 1 56 56 VAL HG12 H 1 0.802 0.01 . 2 . . 121 . . 56 VAL HG12 . 19541 2
307 . 1 1 56 56 VAL HG13 H 1 0.802 0.01 . 2 . . 121 . . 56 VAL HG13 . 19541 2
308 . 1 1 56 56 VAL HG21 H 1 0.781 0.018 . 2 . . 120 . . 56 VAL HG21 . 19541 2
309 . 1 1 56 56 VAL HG22 H 1 0.781 0.018 . 2 . . 120 . . 56 VAL HG22 . 19541 2
310 . 1 1 56 56 VAL HG23 H 1 0.781 0.018 . 2 . . 120 . . 56 VAL HG23 . 19541 2
311 . 1 1 56 56 VAL CG1 C 13 24.052 0.004 . 2 . . 545 . . 56 VAL CG1 . 19541 2
312 . 1 1 56 56 VAL CG2 C 13 20.669 0.004 . 2 . . 583 . . 56 VAL CG2 . 19541 2
313 . 1 1 56 56 VAL N N 15 119.754 . . 1 . . 122 . . 56 VAL N . 19541 2
314 . 1 1 57 57 THR H H 1 8.080 0.004 . 1 . . 125 . . 57 THR H . 19541 2
315 . 1 1 57 57 THR HA H 1 5.236 0.002 . 1 . . 127 . . 57 THR HA . 19541 2
316 . 1 1 57 57 THR HG1 H 1 5.480 . . 1 . . 128 . . 57 THR HG1 . 19541 2
317 . 1 1 57 57 THR N N 15 112.309 . . 1 . . 126 . . 57 THR N . 19541 2
318 . 1 1 58 58 LYS H H 1 7.825 0.007 . 1 . . 64 . . 58 LYS H . 19541 2
319 . 1 1 58 58 LYS HA H 1 3.895 . . 1 . . 202 . . 58 LYS HA . 19541 2
320 . 1 1 58 58 LYS N N 15 116.470 0.0 . 1 . . 66 . . 58 LYS N . 19541 2
321 . 1 1 59 59 ALA H H 1 7.812 0.008 . 1 . . 196 . . 59 ALA H . 19541 2
322 . 1 1 59 59 ALA HA H 1 4.292 . . 1 . . 197 . . 59 ALA HA . 19541 2
323 . 1 1 59 59 ALA HB1 H 1 1.447 0.004 . 1 . . 199 . . 59 ALA HB1 . 19541 2
324 . 1 1 59 59 ALA HB2 H 1 1.447 0.004 . 1 . . 199 . . 59 ALA HB2 . 19541 2
325 . 1 1 59 59 ALA HB3 H 1 1.447 0.004 . 1 . . 199 . . 59 ALA HB3 . 19541 2
326 . 1 1 59 59 ALA N N 15 116.689 0.0 . 1 . . 198 . . 59 ALA N . 19541 2
327 . 1 1 60 60 ILE H H 1 7.397 0.004 . 1 . . 153 . . 60 ILE H . 19541 2
328 . 1 1 60 60 ILE HA H 1 4.479 . . 1 . . 349 . . 60 ILE HA . 19541 2
329 . 1 1 60 60 ILE HB H 1 2.124 0.009 . 1 . . 348 . . 60 ILE HB . 19541 2
330 . 1 1 60 60 ILE HD11 H 1 1.059 0.006 . 1 . . 352 . . 60 ILE HD11 . 19541 2
331 . 1 1 60 60 ILE HD12 H 1 1.059 0.006 . 1 . . 352 . . 60 ILE HD12 . 19541 2
332 . 1 1 60 60 ILE HD13 H 1 1.059 0.006 . 1 . . 352 . . 60 ILE HD13 . 19541 2
333 . 1 1 60 60 ILE CD1 C 13 14.222 0.004 . 1 . . 657 . . 60 ILE CD1 . 19541 2
334 . 1 1 60 60 ILE N N 15 118.659 0.0 . 1 . . 195 . . 60 ILE N . 19541 2
335 . 1 1 61 61 PRO HD3 H 1 3.690 . . 1 . . 341 . . 61 PRO HD3 . 19541 2
336 . 1 1 62 62 GLN H H 1 7.382 0.004 . 1 . . 340 . . 62 GLN H . 19541 2
337 . 1 1 62 62 GLN HA H 1 5.232 0.013 . 1 . . 345 . . 62 GLN HA . 19541 2
338 . 1 1 62 62 GLN HB2 H 1 2.066 0.004 . 1 . . 350 . . 62 GLN HB2 . 19541 2
339 . 1 1 62 62 GLN HB3 H 1 2.066 0.004 . 1 . . 493 . . 62 GLN HB3 . 19541 2
340 . 1 1 62 62 GLN HE21 H 1 7.110 0.006 . 1 . . 346 . . 62 GLN HE21 . 19541 2
341 . 1 1 62 62 GLN HE22 H 1 7.977 0.003 . 1 . . 344 . . 62 GLN HE22 . 19541 2
342 . 1 1 62 62 GLN N N 15 111.433 0.0 . 1 . . 342 . . 62 GLN N . 19541 2
343 . 1 1 62 62 GLN NE2 N 15 110.995 0.0 . 1 . . 347 . . 62 GLN NE2 . 19541 2
344 . 1 1 63 63 VAL H H 1 8.763 0.005 . 1 . . 49 . . 63 VAL H . 19541 2
345 . 1 1 63 63 VAL HA H 1 4.222 0.003 . 1 . . 174 . . 63 VAL HA . 19541 2
346 . 1 1 63 63 VAL HG11 H 1 0.934 0.007 . 2 . . 175 . . 63 VAL HG11 . 19541 2
347 . 1 1 63 63 VAL HG12 H 1 0.934 0.007 . 2 . . 175 . . 63 VAL HG12 . 19541 2
348 . 1 1 63 63 VAL HG13 H 1 0.934 0.007 . 2 . . 175 . . 63 VAL HG13 . 19541 2
349 . 1 1 63 63 VAL HG21 H 1 0.883 0.012 . 2 . . 176 . . 63 VAL HG21 . 19541 2
350 . 1 1 63 63 VAL HG22 H 1 0.883 0.012 . 2 . . 176 . . 63 VAL HG22 . 19541 2
351 . 1 1 63 63 VAL HG23 H 1 0.883 0.012 . 2 . . 176 . . 63 VAL HG23 . 19541 2
352 . 1 1 63 63 VAL CG1 C 13 22.111 0.004 . 2 . . 661 . . 63 VAL CG1 . 19541 2
353 . 1 1 63 63 VAL CG2 C 13 23.364 0.004 . 2 . . 663 . . 63 VAL CG2 . 19541 2
354 . 1 1 63 63 VAL N N 15 118.223 0.007 . 1 . . 177 . . 63 VAL N . 19541 2
355 . 1 1 64 64 ALA H H 1 8.846 0.009 . 1 . . 170 . . 64 ALA H . 19541 2
356 . 1 1 64 64 ALA HA H 1 4.624 0.001 . 1 . . 173 . . 64 ALA HA . 19541 2
357 . 1 1 64 64 ALA HB1 H 1 1.556 . . 1 . . 115 . . 64 ALA HB1 . 19541 2
358 . 1 1 64 64 ALA HB2 H 1 1.556 . . 1 . . 115 . . 64 ALA HB2 . 19541 2
359 . 1 1 64 64 ALA HB3 H 1 1.556 . . 1 . . 115 . . 64 ALA HB3 . 19541 2
360 . 1 1 64 64 ALA N N 15 132.023 0.015 . 1 . . 172 . . 64 ALA N . 19541 2
361 . 1 1 65 65 LEU H H 1 7.866 0.004 . 1 . . 171 . . 65 LEU H . 19541 2
362 . 1 1 65 65 LEU HA H 1 4.769 0.01 . 1 . . 353 . . 65 LEU HA . 19541 2
363 . 1 1 65 65 LEU HD11 H 1 0.708 0.008 . 2 . . 354 . . 65 LEU HD11 . 19541 2
364 . 1 1 65 65 LEU HD12 H 1 0.708 0.008 . 2 . . 354 . . 65 LEU HD12 . 19541 2
365 . 1 1 65 65 LEU HD13 H 1 0.708 0.008 . 2 . . 354 . . 65 LEU HD13 . 19541 2
366 . 1 1 65 65 LEU HD21 H 1 0.400 0.01 . 2 . . 179 . . 65 LEU HD21 . 19541 2
367 . 1 1 65 65 LEU HD22 H 1 0.400 0.01 . 2 . . 179 . . 65 LEU HD22 . 19541 2
368 . 1 1 65 65 LEU HD23 H 1 0.400 0.01 . 2 . . 179 . . 65 LEU HD23 . 19541 2
369 . 1 1 65 65 LEU CD1 C 13 23.680 0.007 . 2 . . 664 . . 65 LEU CD1 . 19541 2
370 . 1 1 65 65 LEU CD2 C 13 25.790 0.043 . 2 . . 782 . . 65 LEU CD2 . 19541 2
371 . 1 1 65 65 LEU N N 15 121.287 0.0 . 1 . . 178 . . 65 LEU N . 19541 2
372 . 1 1 66 66 ASP H H 1 8.338 0.007 . 1 . . 355 . . 66 ASP H . 19541 2
373 . 1 1 66 66 ASP HA H 1 4.615 . . 1 . . 358 . . 66 ASP HA . 19541 2
374 . 1 1 66 66 ASP N N 15 118.010 0.021 . 1 . . 356 . . 66 ASP N . 19541 2
375 . 1 1 67 67 LEU H H 1 7.242 0.002 . 1 . . 203 . . 67 LEU H . 19541 2
376 . 1 1 67 67 LEU HA H 1 4.676 0.002 . 1 . . 784 . . 67 LEU HA . 19541 2
377 . 1 1 67 67 LEU HB2 H 1 1.353 . . 1 . . 930 . . 67 LEU HB2 . 19541 2
378 . 1 1 67 67 LEU HB3 H 1 1.353 . . 1 . . 931 . . 67 LEU HB3 . 19541 2
379 . 1 1 67 67 LEU HG H 1 1.119 . . 1 . . 929 . . 67 LEU HG . 19541 2
380 . 1 1 67 67 LEU HD11 H 1 0.921 0.008 . 2 . . 434 . . 67 LEU HD11 . 19541 2
381 . 1 1 67 67 LEU HD12 H 1 0.921 0.008 . 2 . . 434 . . 67 LEU HD12 . 19541 2
382 . 1 1 67 67 LEU HD13 H 1 0.921 0.008 . 2 . . 434 . . 67 LEU HD13 . 19541 2
383 . 1 1 67 67 LEU HD21 H 1 1.028 0.01 . 2 . . 472 . . 67 LEU HD21 . 19541 2
384 . 1 1 67 67 LEU HD22 H 1 1.028 0.01 . 2 . . 472 . . 67 LEU HD22 . 19541 2
385 . 1 1 67 67 LEU HD23 H 1 1.028 0.01 . 2 . . 472 . . 67 LEU HD23 . 19541 2
386 . 1 1 67 67 LEU CD1 C 13 25.995 0.006 . 2 . . 783 . . 67 LEU CD1 . 19541 2
387 . 1 1 67 67 LEU CD2 C 13 22.919 0.009 . 2 . . 785 . . 67 LEU CD2 . 19541 2
388 . 1 1 67 67 LEU N N 15 120.853 0.014 . 1 . . 204 . . 67 LEU N . 19541 2
389 . 1 1 68 68 ASN H H 1 7.661 0.001 . 1 . . 864 . . 68 ASN H . 19541 2
390 . 1 1 68 68 ASN HA H 1 5.114 . . 1 . . 865 . . 68 ASN HA . 19541 2
391 . 1 1 68 68 ASN HD21 H 1 7.237 0.003 . 1 . . 871 . . 68 ASN HD21 . 19541 2
392 . 1 1 68 68 ASN HD22 H 1 4.096 . . 1 . . 872 . . 68 ASN HD22 . 19541 2
393 . 1 1 68 68 ASN N N 15 117.781 0.006 . 1 . . 859 . . 68 ASN N . 19541 2
394 . 1 1 68 68 ASN ND2 N 15 115.156 . . 1 . . 873 . . 68 ASN ND2 . 19541 2
395 . 1 1 69 69 PHE H H 1 7.852 0.003 . 1 . . 234 . . 69 PHE H . 19541 2
396 . 1 1 69 69 PHE HA H 1 5.046 . . 1 . . 361 . . 69 PHE HA . 19541 2
397 . 1 1 69 69 PHE HB2 H 1 2.933 0.001 . 1 . . 978 . . 69 PHE HB2 . 19541 2
398 . 1 1 69 69 PHE HB3 H 1 2.933 0.001 . 1 . . 980 . . 69 PHE HB3 . 19541 2
399 . 1 1 69 69 PHE HD1 H 1 6.450 0.006 . 3 . . 470 . . 69 PHE HD1 . 19541 2
400 . 1 1 69 69 PHE HD2 H 1 6.450 0.006 . 3 . . 470 . . 69 PHE HD2 . 19541 2
401 . 1 1 69 69 PHE HE1 H 1 6.833 0.004 . 3 . . 359 . . 69 PHE HE1 . 19541 2
402 . 1 1 69 69 PHE HE2 H 1 6.833 0.004 . 3 . . 359 . . 69 PHE HE2 . 19541 2
403 . 1 1 69 69 PHE HZ H 1 6.628 0.005 . 1 . . 772 . . 69 PHE HZ . 19541 2
404 . 1 1 69 69 PHE N N 15 114.061 0.0 . 1 . . 360 . . 69 PHE N . 19541 2
405 . 1 1 70 70 SER H H 1 10.619 0.007 . 1 . . 866 . . 70 SER H . 19541 2
406 . 1 1 70 70 SER HA H 1 4.835 0.006 . 1 . . 815 . . 70 SER HA . 19541 2
407 . 1 1 70 70 SER N N 15 118.659 . . 1 . . 861 . . 70 SER N . 19541 2
408 . 1 1 71 71 LYS H H 1 8.525 0.003 . 1 . . 362 . . 71 LYS H . 19541 2
409 . 1 1 71 71 LYS HA H 1 4.056 . . 1 . . 363 . . 71 LYS HA . 19541 2
410 . 1 1 71 71 LYS N N 15 116.907 . . 1 . . 364 . . 71 LYS N . 19541 2
411 . 1 1 72 72 GLY H H 1 8.413 0.006 . 1 . . 368 . . 72 GLY H . 19541 2
412 . 1 1 72 72 GLY HA2 H 1 3.202 . . 2 . . 370 . . 72 GLY HA2 . 19541 2
413 . 1 1 72 72 GLY HA3 H 1 4.084 0.004 . 2 . . 498 . . 72 GLY HA3 . 19541 2
414 . 1 1 72 72 GLY N N 15 106.397 . . 1 . . 369 . . 72 GLY N . 19541 2
415 . 1 1 73 73 ASP H H 1 8.196 0.003 . 1 . . 371 . . 73 ASP H . 19541 2
416 . 1 1 73 73 ASP N N 15 121.725 0.0 . 1 . . 372 . . 73 ASP N . 19541 2
417 . 1 1 74 74 ARG H H 1 8.811 0.006 . 1 . . 222 . . 74 ARG H . 19541 2
418 . 1 1 74 74 ARG HA H 1 4.823 . . 1 . . 825 . . 74 ARG HA . 19541 2
419 . 1 1 74 74 ARG HE H 1 7.297 0.007 . 1 . . 224 . . 74 ARG HE . 19541 2
420 . 1 1 74 74 ARG N N 15 125.228 . . 1 . . 223 . . 74 ARG N . 19541 2
421 . 1 1 74 74 ARG NE N 15 112.747 . . 1 . . 225 . . 74 ARG NE . 19541 2
422 . 1 1 75 75 ILE H H 1 8.339 0.003 . 1 . . 78 . . 75 ILE H . 19541 2
423 . 1 1 75 75 ILE HA H 1 5.148 0.006 . 1 . . 129 . . 75 ILE HA . 19541 2
424 . 1 1 75 75 ILE HB H 1 1.168 . . 1 . . 373 . . 75 ILE HB . 19541 2
425 . 1 1 75 75 ILE HD11 H 1 -0.148 0.005 . 1 . . 46 . . 75 ILE HD11 . 19541 2
426 . 1 1 75 75 ILE HD12 H 1 -0.148 0.005 . 1 . . 46 . . 75 ILE HD12 . 19541 2
427 . 1 1 75 75 ILE HD13 H 1 -0.148 0.005 . 1 . . 46 . . 75 ILE HD13 . 19541 2
428 . 1 1 75 75 ILE CD1 C 13 12.527 0.004 . 1 . . 508 . . 75 ILE CD1 . 19541 2
429 . 1 1 75 75 ILE N N 15 117.783 0.0 . 1 . . 80 . . 75 ILE N . 19541 2
430 . 1 1 76 76 MET H H 1 8.003 0.005 . 1 . . 45 . . 76 MET H . 19541 2
431 . 1 1 76 76 MET HA H 1 4.949 . . 1 . . 374 . . 76 MET HA . 19541 2
432 . 1 1 76 76 MET HB2 H 1 1.978 . . 1 . . 380 . . 76 MET HB2 . 19541 2
433 . 1 1 76 76 MET HB3 H 1 1.978 . . 1 . . 500 . . 76 MET HB3 . 19541 2
434 . 1 1 76 76 MET N N 15 120.630 0.0 . 1 . . 47 . . 76 MET N . 19541 2
435 . 1 1 77 77 PHE H H 1 8.187 0.003 . 1 . . 375 . . 77 PHE H . 19541 2
436 . 1 1 77 77 PHE HA H 1 5.843 0.001 . 1 . . 220 . . 77 PHE HA . 19541 2
437 . 1 1 77 77 PHE HB2 H 1 2.712 0.001 . 2 . . 384 . . 77 PHE HB2 . 19541 2
438 . 1 1 77 77 PHE HB3 H 1 3.180 0.003 . 2 . . 378 . . 77 PHE HB3 . 19541 2
439 . 1 1 77 77 PHE HD1 H 1 7.116 0.004 . 3 . . 221 . . 77 PHE HD1 . 19541 2
440 . 1 1 77 77 PHE HD2 H 1 7.116 0.004 . 3 . . 221 . . 77 PHE HD2 . 19541 2
441 . 1 1 77 77 PHE HE1 H 1 6.834 0.004 . 3 . . 694 . . 77 PHE HE1 . 19541 2
442 . 1 1 77 77 PHE HE2 H 1 6.834 0.004 . 3 . . 694 . . 77 PHE HE2 . 19541 2
443 . 1 1 77 77 PHE HZ H 1 6.912 0.005 . 1 . . 867 . . 77 PHE HZ . 19541 2
444 . 1 1 77 77 PHE N N 15 120.192 0.0 . 1 . . 376 . . 77 PHE N . 19541 2
445 . 1 1 78 78 TYR H H 1 8.579 0.004 . 1 . . 218 . . 78 TYR H . 19541 2
446 . 1 1 78 78 TYR HA H 1 5.236 . . 1 . . 383 . . 78 TYR HA . 19541 2
447 . 1 1 78 78 TYR HB2 H 1 2.021 . . 2 . . 385 . . 78 TYR HB2 . 19541 2
448 . 1 1 78 78 TYR HB3 H 1 2.887 0.004 . 2 . . 502 . . 78 TYR HB3 . 19541 2
449 . 1 1 78 78 TYR HD1 H 1 6.738 0.002 . 3 . . 208 . . 78 TYR HD1 . 19541 2
450 . 1 1 78 78 TYR HD2 H 1 6.738 0.002 . 3 . . 208 . . 78 TYR HD2 . 19541 2
451 . 1 1 78 78 TYR HE1 H 1 6.396 0.005 . 3 . . 382 . . 78 TYR HE1 . 19541 2
452 . 1 1 78 78 TYR HE2 H 1 6.396 0.005 . 3 . . 382 . . 78 TYR HE2 . 19541 2
453 . 1 1 78 78 TYR N N 15 116.032 . . 1 . . 219 . . 78 TYR N . 19541 2
454 . 1 1 79 79 THR H H 1 10.292 0.004 . 1 . . 207 . . 79 THR H . 19541 2
455 . 1 1 79 79 THR HA H 1 6.183 0.015 . 1 . . 389 . . 79 THR HA . 19541 2
456 . 1 1 79 79 THR HB H 1 4.137 . . 1 . . 387 . . 79 THR HB . 19541 2
457 . 1 1 79 79 THR HG1 H 1 5.923 0.006 . 1 . . 672 . . 79 THR HG1 . 19541 2
458 . 1 1 79 79 THR N N 15 110.995 0.0 . 1 . . 209 . . 79 THR N . 19541 2
459 . 1 1 80 80 ALA H H 1 9.214 0.004 . 1 . . 82 . . 80 ALA H . 19541 2
460 . 1 1 80 80 ALA HA H 1 5.097 . . 1 . . 83 . . 80 ALA HA . 19541 2
461 . 1 1 80 80 ALA HB1 H 1 1.671 0.012 . 1 . . 85 . . 80 ALA HB1 . 19541 2
462 . 1 1 80 80 ALA HB2 H 1 1.671 0.012 . 1 . . 85 . . 80 ALA HB2 . 19541 2
463 . 1 1 80 80 ALA HB3 H 1 1.671 0.012 . 1 . . 85 . . 80 ALA HB3 . 19541 2
464 . 1 1 80 80 ALA N N 15 121.944 0.0 . 1 . . 84 . . 80 ALA N . 19541 2
465 . 1 1 81 81 GLY H H 1 8.988 0.004 . 1 . . 86 . . 81 GLY H . 19541 2
466 . 1 1 81 81 GLY HA2 H 1 5.073 . . 2 . . 87 . . 81 GLY HA2 . 19541 2
467 . 1 1 81 81 GLY HA3 H 1 3.893 . . 2 . . 390 . . 81 GLY HA3 . 19541 2
468 . 1 1 81 81 GLY N N 15 111.871 . . 1 . . 88 . . 81 GLY N . 19541 2
469 . 1 1 82 82 ASP H H 1 8.666 0.006 . 1 . . 62 . . 82 ASP H . 19541 2
470 . 1 1 82 82 ASP HB2 H 1 2.632 . . 1 . . 394 . . 82 ASP HB2 . 19541 2
471 . 1 1 82 82 ASP N N 15 115.164 0.019 . 1 . . 392 . . 82 ASP N . 19541 2
472 . 1 1 83 83 ALA H H 1 7.843 0.008 . 1 . . 56 . . 83 ALA H . 19541 2
473 . 1 1 83 83 ALA HA H 1 4.869 . . 1 . . 98 . . 83 ALA HA . 19541 2
474 . 1 1 83 83 ALA HB1 H 1 1.126 . . 1 . . 97 . . 83 ALA HB1 . 19541 2
475 . 1 1 83 83 ALA HB2 H 1 1.126 . . 1 . . 97 . . 83 ALA HB2 . 19541 2
476 . 1 1 83 83 ALA HB3 H 1 1.126 . . 1 . . 97 . . 83 ALA HB3 . 19541 2
477 . 1 1 83 83 ALA N N 15 122.601 0.0 . 1 . . 63 . . 83 ALA N . 19541 2
478 . 1 1 84 84 SER H H 1 8.754 0.006 . 1 . . 31 . . 84 SER H . 19541 2
479 . 1 1 84 84 SER HA H 1 4.714 . . 1 . . 298 . . 84 SER HA . 19541 2
480 . 1 1 84 84 SER N N 15 115.813 . . 1 . . 55 . . 84 SER N . 19541 2
481 . 1 1 85 85 VAL H H 1 7.881 0.002 . 1 . . 18 . . 85 VAL H . 19541 2
482 . 1 1 85 85 VAL HA H 1 5.498 0.001 . 1 . . 25 . . 85 VAL HA . 19541 2
483 . 1 1 85 85 VAL HG11 H 1 0.564 0.01 . 2 . . 108 . . 85 VAL HG11 . 19541 2
484 . 1 1 85 85 VAL HG12 H 1 0.564 0.01 . 2 . . 108 . . 85 VAL HG12 . 19541 2
485 . 1 1 85 85 VAL HG13 H 1 0.564 0.01 . 2 . . 108 . . 85 VAL HG13 . 19541 2
486 . 1 1 85 85 VAL HG21 H 1 0.652 0.013 . 2 . . 113 . . 85 VAL HG21 . 19541 2
487 . 1 1 85 85 VAL HG22 H 1 0.652 0.013 . 2 . . 113 . . 85 VAL HG22 . 19541 2
488 . 1 1 85 85 VAL HG23 H 1 0.652 0.013 . 2 . . 113 . . 85 VAL HG23 . 19541 2
489 . 1 1 85 85 VAL CG1 C 13 21.858 0.004 . 2 . . 582 . . 85 VAL CG1 . 19541 2
490 . 1 1 85 85 VAL CG2 C 13 19.792 0.003 . 2 . . 765 . . 85 VAL CG2 . 19541 2
491 . 1 1 85 85 VAL N N 15 111.470 0.082 . 1 . . 26 . . 85 VAL N . 19541 2
492 . 1 1 86 86 SER H H 1 9.030 0.004 . 1 . . 27 . . 86 SER H . 19541 2
493 . 1 1 86 86 SER HA H 1 5.562 0.001 . 1 . . 15 . . 86 SER HA . 19541 2
494 . 1 1 86 86 SER HG H 1 6.156 0.01 . 1 . . 869 . . 86 SER HG . 19541 2
495 . 1 1 86 86 SER N N 15 115.813 0.0 . 1 . . 28 . . 86 SER N . 19541 2
496 . 1 1 87 87 LEU H H 1 9.442 0.005 . 1 . . 23 . . 87 LEU H . 19541 2
497 . 1 1 87 87 LEU HA H 1 5.163 0.003 . 1 . . 32 . . 87 LEU HA . 19541 2
498 . 1 1 87 87 LEU HB2 H 1 1.762 0.005 . 2 . . 33 . . 87 LEU HB2 . 19541 2
499 . 1 1 87 87 LEU HB3 H 1 1.431 . . 2 . . 35 . . 87 LEU HB3 . 19541 2
500 . 1 1 87 87 LEU HG H 1 1.431 . . 1 . . 34 . . 87 LEU HG . 19541 2
501 . 1 1 87 87 LEU HD11 H 1 0.514 0.014 . 2 . . 101 . . 87 LEU HD11 . 19541 2
502 . 1 1 87 87 LEU HD12 H 1 0.514 0.014 . 2 . . 101 . . 87 LEU HD12 . 19541 2
503 . 1 1 87 87 LEU HD13 H 1 0.514 0.014 . 2 . . 101 . . 87 LEU HD13 . 19541 2
504 . 1 1 87 87 LEU HD21 H 1 0.381 0.008 . 2 . . 102 . . 87 LEU HD21 . 19541 2
505 . 1 1 87 87 LEU HD22 H 1 0.381 0.008 . 2 . . 102 . . 87 LEU HD22 . 19541 2
506 . 1 1 87 87 LEU HD23 H 1 0.381 0.008 . 2 . . 102 . . 87 LEU HD23 . 19541 2
507 . 1 1 87 87 LEU CD1 C 13 25.550 0.007 . 2 . . 605 . . 87 LEU CD1 . 19541 2
508 . 1 1 87 87 LEU CD2 C 13 24.800 0.0 . 2 . . 769 . . 87 LEU CD2 . 19541 2
509 . 1 1 87 87 LEU N N 15 127.622 0.056 . 1 . . 24 . . 87 LEU N . 19541 2
510 . 1 1 88 88 LEU H H 1 8.457 0.009 . 1 . . 36 . . 88 LEU H . 19541 2
511 . 1 1 88 88 LEU HA H 1 5.128 0.014 . 1 . . 296 . . 88 LEU HA . 19541 2
512 . 1 1 88 88 LEU HD11 H 1 0.944 0.009 . 2 . . 315 . . 88 LEU HD11 . 19541 2
513 . 1 1 88 88 LEU HD12 H 1 0.944 0.009 . 2 . . 315 . . 88 LEU HD12 . 19541 2
514 . 1 1 88 88 LEU HD13 H 1 0.944 0.009 . 2 . . 315 . . 88 LEU HD13 . 19541 2
515 . 1 1 88 88 LEU HD21 H 1 1.031 0.007 . 2 . . 316 . . 88 LEU HD21 . 19541 2
516 . 1 1 88 88 LEU HD22 H 1 1.031 0.007 . 2 . . 316 . . 88 LEU HD22 . 19541 2
517 . 1 1 88 88 LEU HD23 H 1 1.031 0.007 . 2 . . 316 . . 88 LEU HD23 . 19541 2
518 . 1 1 88 88 LEU CD1 C 13 24.556 0.02 . 2 . . 623 . . 88 LEU CD1 . 19541 2
519 . 1 1 88 88 LEU CD2 C 13 27.116 0.007 . 2 . . 786 . . 88 LEU CD2 . 19541 2
520 . 1 1 88 88 LEU N N 15 120.411 0.0 . 1 . . 297 . . 88 LEU N . 19541 2
521 . 1 1 89 89 GLY H H 1 8.577 0.004 . 1 . . 2 . . 89 GLY H . 19541 2
522 . 1 1 89 89 GLY HA2 H 1 4.032 0.006 . 1 . . 314 . . 89 GLY HA2 . 19541 2
523 . 1 1 89 89 GLY HA3 H 1 4.032 0.006 . 1 . . 504 . . 89 GLY HA3 . 19541 2
524 . 1 1 89 89 GLY N N 15 107.688 0.036 . 1 . . 313 . . 89 GLY N . 19541 2
525 . 1 1 90 90 TYR H H 1 8.648 0.009 . 1 . . 466 . . 90 TYR H . 19541 2
526 . 1 1 90 90 TYR HA H 1 5.553 0.001 . 1 . . 295 . . 90 TYR HA . 19541 2
527 . 1 1 90 90 TYR HB2 H 1 3.302 0.002 . 2 . . 1101 . . 90 TYR HB2 . 19541 2
528 . 1 1 90 90 TYR HB3 H 1 2.932 0.0 . 2 . . 928 . . 90 TYR HB3 . 19541 2
529 . 1 1 90 90 TYR HD1 H 1 6.828 0.003 . 3 . . 468 . . 90 TYR HD1 . 19541 2
530 . 1 1 90 90 TYR HD2 H 1 6.828 0.003 . 3 . . 468 . . 90 TYR HD2 . 19541 2
531 . 1 1 90 90 TYR HE1 H 1 6.452 0.001 . 3 . . 1098 . . 90 TYR HE1 . 19541 2
532 . 1 1 90 90 TYR HE2 H 1 6.452 0.001 . 3 . . 1098 . . 90 TYR HE2 . 19541 2
533 . 1 1 90 90 TYR N N 15 118.659 0.0 . 1 . . 467 . . 90 TYR N . 19541 2
534 . 1 1 91 91 LEU H H 1 9.367 0.003 . 1 . . 293 . . 91 LEU H . 19541 2
535 . 1 1 91 91 LEU HA H 1 4.672 0.006 . 1 . . 777 . . 91 LEU HA . 19541 2
536 . 1 1 91 91 LEU HB2 H 1 1.777 . . 1 . . 290 . . 91 LEU HB2 . 19541 2
537 . 1 1 91 91 LEU HB3 H 1 1.777 . . 1 . . 505 . . 91 LEU HB3 . 19541 2
538 . 1 1 91 91 LEU HG H 1 1.781 0.003 . 1 . . 619 . . 91 LEU HG . 19541 2
539 . 1 1 91 91 LEU HD11 H 1 0.961 0.008 . 2 . . 292 . . 91 LEU HD11 . 19541 2
540 . 1 1 91 91 LEU HD12 H 1 0.961 0.008 . 2 . . 292 . . 91 LEU HD12 . 19541 2
541 . 1 1 91 91 LEU HD13 H 1 0.961 0.008 . 2 . . 292 . . 91 LEU HD13 . 19541 2
542 . 1 1 91 91 LEU HD21 H 1 1.066 0.013 . 2 . . 291 . . 91 LEU HD21 . 19541 2
543 . 1 1 91 91 LEU HD22 H 1 1.066 0.013 . 2 . . 291 . . 91 LEU HD22 . 19541 2
544 . 1 1 91 91 LEU HD23 H 1 1.066 0.013 . 2 . . 291 . . 91 LEU HD23 . 19541 2
545 . 1 1 91 91 LEU CD1 C 13 23.615 0.004 . 2 . . 602 . . 91 LEU CD1 . 19541 2
546 . 1 1 91 91 LEU CD2 C 13 26.184 0.003 . 2 . . 603 . . 91 LEU CD2 . 19541 2
547 . 1 1 91 91 LEU N N 15 119.196 0.108 . 1 . . 294 . . 91 LEU N . 19541 2
548 . 1 1 92 92 HIS H H 1 7.930 0.006 . 1 . . 287 . . 92 HIS H . 19541 2
549 . 1 1 92 92 HIS HA H 1 4.666 . . 1 . . 284 . . 92 HIS HA . 19541 2
550 . 1 1 92 92 HIS N N 15 117.126 0.0 . 1 . . 288 . . 92 HIS N . 19541 2
551 . 1 1 93 93 ASP H H 1 8.468 0.002 . 1 . . 282 . . 93 ASP H . 19541 2
552 . 1 1 93 93 ASP HA H 1 4.585 . . 1 . . 279 . . 93 ASP HA . 19541 2
553 . 1 1 93 93 ASP N N 15 120.849 . . 1 . . 283 . . 93 ASP N . 19541 2
554 . 1 1 94 94 ILE H H 1 8.138 0.008 . 1 . . 148 . . 94 ILE H . 19541 2
555 . 1 1 94 94 ILE HA H 1 4.178 . . 1 . . 164 . . 94 ILE HA . 19541 2
556 . 1 1 94 94 ILE HD11 H 1 0.782 0.007 . 1 . . 169 . . 94 ILE HD11 . 19541 2
557 . 1 1 94 94 ILE HD12 H 1 0.782 0.007 . 1 . . 169 . . 94 ILE HD12 . 19541 2
558 . 1 1 94 94 ILE HD13 H 1 0.782 0.007 . 1 . . 169 . . 94 ILE HD13 . 19541 2
559 . 1 1 94 94 ILE CD1 C 13 13.410 . . 1 . . 585 . . 94 ILE CD1 . 19541 2
560 . 1 1 94 94 ILE N N 15 119.316 0.0 . 1 . . 165 . . 94 ILE N . 19541 2
561 . 1 1 95 95 ASP H H 1 8.410 0.003 . 1 . . 147 . . 95 ASP H . 19541 2
562 . 1 1 95 95 ASP HB2 H 1 2.632 . . 1 . . 278 . . 95 ASP HB2 . 19541 2
563 . 1 1 95 95 ASP N N 15 123.148 0.109 . 1 . . 149 . . 95 ASP N . 19541 2
564 . 1 1 97 97 GLY H H 1 8.468 0.003 . 1 . . 265 . . 97 GLY H . 19541 2
565 . 1 1 97 97 GLY HA2 H 1 3.974 . . 1 . . 268 . . 97 GLY HA2 . 19541 2
566 . 1 1 97 97 GLY HA3 H 1 3.974 . . 1 . . 506 . . 97 GLY HA3 . 19541 2
567 . 1 1 97 97 GLY N N 15 110.776 . . 1 . . 271 . . 97 GLY N . 19541 2
568 . 1 1 98 98 SER H H 1 7.886 0.002 . 1 . . 264 . . 98 SER H . 19541 2
569 . 1 1 98 98 SER N N 15 120.630 . . 1 . . 266 . . 98 SER N . 19541 2
570 . 2 1 44 44 LEU HD11 H 1 0.362 0.002 . 2 . . 887 . . 44 LEU HD11 . 19541 2
571 . 2 1 44 44 LEU HD12 H 1 0.362 0.002 . 2 . . 887 . . 44 LEU HD12 . 19541 2
572 . 2 1 44 44 LEU HD13 H 1 0.362 0.002 . 2 . . 887 . . 44 LEU HD13 . 19541 2
573 . 2 1 44 44 LEU HD21 H 1 0.373 0.016 . 2 . . 888 . . 44 LEU HD21 . 19541 2
574 . 2 1 44 44 LEU HD22 H 1 0.373 0.016 . 2 . . 888 . . 44 LEU HD22 . 19541 2
575 . 2 1 44 44 LEU HD23 H 1 0.373 0.016 . 2 . . 888 . . 44 LEU HD23 . 19541 2
576 . 2 1 50 50 GLU H H 1 8.115 0.009 . 1 . . 901 . . 50 GLU H . 19541 2
577 . 2 1 51 51 TYR HD1 H 1 7.000 0.006 . 3 . . 885 . . 51 TYR HD1 . 19541 2
578 . 2 1 51 51 TYR HD2 H 1 7.000 0.006 . 3 . . 885 . . 51 TYR HD2 . 19541 2
579 . 2 1 51 51 TYR HE1 H 1 6.458 0.005 . 3 . . 886 . . 51 TYR HE1 . 19541 2
580 . 2 1 51 51 TYR HE2 H 1 6.458 0.005 . 3 . . 886 . . 51 TYR HE2 . 19541 2
581 . 2 1 52 52 ILE HD11 H 1 0.410 0.016 . 1 . . 912 . . 52 ILE HD11 . 19541 2
582 . 2 1 52 52 ILE HD12 H 1 0.410 0.016 . 1 . . 912 . . 52 ILE HD12 . 19541 2
583 . 2 1 52 52 ILE HD13 H 1 0.410 0.016 . 1 . . 912 . . 52 ILE HD13 . 19541 2
584 . 2 1 53 53 VAL HB H 1 1.554 . . 1 . . 919 . . 53 VAL HB . 19541 2
585 . 2 1 53 53 VAL HG11 H 1 0.807 0.032 . 2 . . 920 . . 53 VAL HG11 . 19541 2
586 . 2 1 53 53 VAL HG12 H 1 0.807 0.032 . 2 . . 920 . . 53 VAL HG12 . 19541 2
587 . 2 1 53 53 VAL HG13 H 1 0.807 0.032 . 2 . . 920 . . 53 VAL HG13 . 19541 2
588 . 2 1 53 53 VAL HG21 H 1 0.810 0.011 . 2 . . 921 . . 53 VAL HG21 . 19541 2
589 . 2 1 53 53 VAL HG22 H 1 0.810 0.011 . 2 . . 921 . . 53 VAL HG22 . 19541 2
590 . 2 1 53 53 VAL HG23 H 1 0.810 0.011 . 2 . . 921 . . 53 VAL HG23 . 19541 2
591 . 2 1 55 55 THR H H 1 9.141 . . 1 . . 906 . . 55 THR H . 19541 2
592 . 2 1 55 55 THR HG1 H 1 6.375 . . 1 . . 905 . . 55 THR HG1 . 19541 2
593 . 2 1 63 63 VAL HG11 H 1 0.890 . . 2 . . 916 . . 63 VAL HG11 . 19541 2
594 . 2 1 63 63 VAL HG12 H 1 0.890 . . 2 . . 916 . . 63 VAL HG12 . 19541 2
595 . 2 1 63 63 VAL HG13 H 1 0.890 . . 2 . . 916 . . 63 VAL HG13 . 19541 2
596 . 2 1 63 63 VAL HG21 H 1 0.886 0.004 . 2 . . 917 . . 63 VAL HG21 . 19541 2
597 . 2 1 63 63 VAL HG22 H 1 0.886 0.004 . 2 . . 917 . . 63 VAL HG22 . 19541 2
598 . 2 1 63 63 VAL HG23 H 1 0.886 0.004 . 2 . . 917 . . 63 VAL HG23 . 19541 2
599 . 2 1 65 65 LEU HD11 H 1 0.740 . . 1 . . 899 . . 65 LEU HD11 . 19541 2
600 . 2 1 65 65 LEU HD12 H 1 0.740 . . 1 . . 899 . . 65 LEU HD12 . 19541 2
601 . 2 1 65 65 LEU HD13 H 1 0.740 . . 1 . . 899 . . 65 LEU HD13 . 19541 2
602 . 2 1 69 69 PHE HD1 H 1 6.455 0.0 . 3 . . 880 . . 69 PHE HD1 . 19541 2
603 . 2 1 69 69 PHE HD2 H 1 6.455 0.0 . 3 . . 880 . . 69 PHE HD2 . 19541 2
604 . 2 1 69 69 PHE HE1 H 1 6.842 . . 3 . . 881 . . 69 PHE HE1 . 19541 2
605 . 2 1 69 69 PHE HE2 H 1 6.842 . . 3 . . 881 . . 69 PHE HE2 . 19541 2
606 . 2 1 77 77 PHE HE1 H 1 6.842 . . 3 . . 894 . . 77 PHE HE1 . 19541 2
607 . 2 1 77 77 PHE HE2 H 1 6.842 . . 3 . . 894 . . 77 PHE HE2 . 19541 2
608 . 2 1 90 90 TYR HB2 H 1 3.301 . . 1 . . 1103 . . 90 TYR HB2 . 19541 2
609 . 2 1 90 90 TYR HE1 H 1 6.451 . . 3 . . 1100 . . 90 TYR HE1 . 19541 2
610 . 2 1 90 90 TYR HE2 H 1 6.451 . . 3 . . 1100 . . 90 TYR HE2 . 19541 2
611 . 5 1 8 8 PHE HB2 H 1 3.301 . . 1 . . 946 . . 8 PHE HB2 . 19541 2
612 . 5 1 8 8 PHE HD1 H 1 7.114 0.005 . 3 . . 943 . . 8 PHE HD1 . 19541 2
613 . 5 1 8 8 PHE HD2 H 1 7.114 0.005 . 3 . . 943 . . 8 PHE HD2 . 19541 2
614 . 5 1 8 8 PHE HE1 H 1 6.713 0.009 . 3 . . 944 . . 8 PHE HE1 . 19541 2
615 . 5 1 8 8 PHE HE2 H 1 6.713 0.009 . 3 . . 944 . . 8 PHE HE2 . 19541 2
616 . 5 1 8 8 PHE HZ H 1 5.850 0.007 . 1 . . 942 . . 8 PHE HZ . 19541 2
617 . 5 1 12 12 ASN HD21 H 1 7.229 . . 1 . . 965 . . 12 ASN HD21 . 19541 2
618 . 5 1 12 12 ASN HD22 H 1 6.299 . . 1 . . 967 . . 12 ASN HD22 . 19541 2
619 . 5 1 30 30 SER HG H 1 5.387 0.008 . 1 . . 1110 . . 30 SER HG . 19541 2
620 . 5 1 35 35 ASP H H 1 8.956 . . 1 . . 947 . . 35 ASP H . 19541 2
621 . 5 1 60 60 ILE H H 1 7.388 . . 1 . . 939 . . 60 ILE H . 19541 2
622 . 5 1 62 62 GLN H H 1 7.384 0.004 . 1 . . 976 . . 62 GLN H . 19541 2
623 . 5 1 62 62 GLN HE21 H 1 7.105 0.007 . 1 . . 974 . . 62 GLN HE21 . 19541 2
624 . 5 1 62 62 GLN HE22 H 1 7.979 0.008 . 1 . . 1095 . . 62 GLN HE22 . 19541 2
625 . 5 1 86 86 SER HG H 1 6.154 0.001 . 1 . . 1096 . . 86 SER HG . 19541 2
626 . 5 1 88 88 LEU HD11 H 1 1.023 0.012 . 2 . . 968 . . 88 LEU HD11 . 19541 2
627 . 5 1 88 88 LEU HD12 H 1 1.023 0.012 . 2 . . 968 . . 88 LEU HD12 . 19541 2
628 . 5 1 88 88 LEU HD13 H 1 1.023 0.012 . 2 . . 968 . . 88 LEU HD13 . 19541 2
629 . 5 1 88 88 LEU HD21 H 1 0.940 0.001 . 2 . . 969 . . 88 LEU HD21 . 19541 2
630 . 5 1 88 88 LEU HD22 H 1 0.940 0.001 . 2 . . 969 . . 88 LEU HD22 . 19541 2
631 . 5 1 88 88 LEU HD23 H 1 0.940 0.001 . 2 . . 969 . . 88 LEU HD23 . 19541 2
632 . 5 1 90 90 TYR HB2 H 1 3.301 . . 1 . . 1102 . . 90 TYR HB2 . 19541 2
633 . 5 1 90 90 TYR HD1 H 1 6.829 0.007 . 3 . . 956 . . 90 TYR HD1 . 19541 2
634 . 5 1 90 90 TYR HD2 H 1 6.829 0.007 . 3 . . 956 . . 90 TYR HD2 . 19541 2
635 . 5 1 90 90 TYR HE1 H 1 6.451 0.001 . 3 . . 1099 . . 90 TYR HE1 . 19541 2
636 . 5 1 90 90 TYR HE2 H 1 6.451 0.001 . 3 . . 1099 . . 90 TYR HE2 . 19541 2
stop_
save_