Content for NMR-STAR saveframe, "assigned_chemical_shifts_1"
save_assigned_chemical_shifts_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1
_Assigned_chem_shift_list.Entry_ID 30808
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name .
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 CBCACONH . . . 30808 1
2 CBCANH . . . 30808 1
3 '3D (H)CCCONH-TOCSY' . . . 30808 1
4 '3D H(CC)(CO)NH-TOCSY' . . . 30808 1
5 '3D HCCH-TOCSY' . . . 30808 1
6 '3D NOESY' . . . 30808 1
7 'N HSQC' . . . 30808 1
8 'C HSQC' . . . 30808 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 . 1 2 2 SER HA H 1 4.547 0.005 . 1 . . 716 . A 287 SER HA . 30808 1
2 . 1 . 1 2 2 SER HB2 H 1 3.857 0.009 . 1 . . 714 . A 287 SER HB2 . 30808 1
3 . 1 . 1 2 2 SER HB3 H 1 3.857 0.009 . 1 . . 715 . A 287 SER HB3 . 30808 1
4 . 1 . 1 2 2 SER CA C 13 58.238 0.066 . 1 . . 717 . A 287 SER CA . 30808 1
5 . 1 . 1 2 2 SER CB C 13 64.321 0.033 . 1 . . 558 . A 287 SER CB . 30808 1
6 . 1 . 1 3 3 VAL H H 1 8.258 0.004 . 1 . . 217 . A 288 VAL H . 30808 1
7 . 1 . 1 3 3 VAL HA H 1 4.067 0.003 . 1 . . 610 . A 288 VAL HA . 30808 1
8 . 1 . 1 3 3 VAL HB H 1 2.032 0.004 . 1 . . 611 . A 288 VAL HB . 30808 1
9 . 1 . 1 3 3 VAL HG11 H 1 0.819 0.004 . 2 . . 827 . A 288 VAL HG11 . 30808 1
10 . 1 . 1 3 3 VAL HG12 H 1 0.819 0.004 . 2 . . 827 . A 288 VAL HG12 . 30808 1
11 . 1 . 1 3 3 VAL HG13 H 1 0.819 0.004 . 2 . . 827 . A 288 VAL HG13 . 30808 1
12 . 1 . 1 3 3 VAL HG21 H 1 0.820 0.004 . 2 . . 828 . A 288 VAL HG21 . 30808 1
13 . 1 . 1 3 3 VAL HG22 H 1 0.820 0.004 . 2 . . 828 . A 288 VAL HG22 . 30808 1
14 . 1 . 1 3 3 VAL HG23 H 1 0.820 0.004 . 2 . . 828 . A 288 VAL HG23 . 30808 1
15 . 1 . 1 3 3 VAL CA C 13 62.336 0.048 . 1 . . 1619 . A 288 VAL CA . 30808 1
16 . 1 . 1 3 3 VAL CB C 13 32.735 0.036 . 1 . . 1620 . A 288 VAL CB . 30808 1
17 . 1 . 1 3 3 VAL CG1 C 13 21.376 0.076 . 2 . . 1751 . A 288 VAL CG1 . 30808 1
18 . 1 . 1 3 3 VAL CG2 C 13 20.404 0.033 . 2 . . 559 . A 288 VAL CG2 . 30808 1
19 . 1 . 1 3 3 VAL N N 15 120.331 0.02 . 1 . . 218 . A 288 VAL N . 30808 1
20 . 1 . 1 4 4 ASN H H 1 8.383 0.006 . 1 . . 255 . A 289 ASN H . 30808 1
21 . 1 . 1 4 4 ASN HA H 1 4.673 0.006 . 1 . . 612 . A 289 ASN HA . 30808 1
22 . 1 . 1 4 4 ASN HB2 H 1 2.683 0.004 . 2 . . 613 . A 289 ASN HB2 . 30808 1
23 . 1 . 1 4 4 ASN HB3 H 1 2.703 0.008 . 2 . . 614 . A 289 ASN HB3 . 30808 1
24 . 1 . 1 4 4 ASN CA C 13 53.020 0.039 . 1 . . 1621 . A 289 ASN CA . 30808 1
25 . 1 . 1 4 4 ASN CB C 13 39.180 0.053 . 1 . . 561 . A 289 ASN CB . 30808 1
26 . 1 . 1 4 4 ASN N N 15 121.470 0.056 . 1 . . 256 . A 289 ASN N . 30808 1
27 . 1 . 1 5 5 PHE H H 1 8.072 0.012 . 1 . . 189 . A 290 PHE H . 30808 1
28 . 1 . 1 5 5 PHE HA H 1 4.627 0.007 . 1 . . 624 . A 290 PHE HA . 30808 1
29 . 1 . 1 5 5 PHE HB2 H 1 3.016 0.01 . 2 . . 622 . A 290 PHE HB2 . 30808 1
30 . 1 . 1 5 5 PHE HB3 H 1 3.200 0.004 . 2 . . 623 . A 290 PHE HB3 . 30808 1
31 . 1 . 1 5 5 PHE HD1 H 1 7.257 0.004 . 1 . . 881 . A 290 PHE HD1 . 30808 1
32 . 1 . 1 5 5 PHE HD2 H 1 7.257 0.004 . 1 . . 881 . A 290 PHE HD2 . 30808 1
33 . 1 . 1 5 5 PHE HE1 H 1 7.353 0.006 . 1 . . 883 . A 290 PHE HE1 . 30808 1
34 . 1 . 1 5 5 PHE HE2 H 1 7.353 0.006 . 1 . . 883 . A 290 PHE HE2 . 30808 1
35 . 1 . 1 5 5 PHE HZ H 1 7.297 0.012 . 1 . . 884 . A 290 PHE HZ . 30808 1
36 . 1 . 1 5 5 PHE CA C 13 58.072 0.062 . 1 . . 101 . A 290 PHE CA . 30808 1
37 . 1 . 1 5 5 PHE CB C 13 39.625 0.064 . 1 . . 102 . A 290 PHE CB . 30808 1
38 . 1 . 1 5 5 PHE CD1 C 13 131.759 0.062 . 1 . . 880 . A 290 PHE CD1 . 30808 1
39 . 1 . 1 5 5 PHE CD2 C 13 131.759 0.062 . 1 . . 880 . A 290 PHE CD2 . 30808 1
40 . 1 . 1 5 5 PHE CE1 C 13 131.875 0.073 . 1 . . 882 . A 290 PHE CE1 . 30808 1
41 . 1 . 1 5 5 PHE CE2 C 13 131.875 0.073 . 1 . . 882 . A 290 PHE CE2 . 30808 1
42 . 1 . 1 5 5 PHE CZ C 13 130.005 0.009 . 1 . . 885 . A 290 PHE CZ . 30808 1
43 . 1 . 1 5 5 PHE N N 15 119.895 0.041 . 1 . . 190 . A 290 PHE N . 30808 1
44 . 1 . 1 6 6 VAL H H 1 8.005 0.007 . 1 . . 175 . A 291 VAL H . 30808 1
45 . 1 . 1 6 6 VAL HA H 1 4.071 0.004 . 1 . . 615 . A 291 VAL HA . 30808 1
46 . 1 . 1 6 6 VAL HB H 1 2.018 0.004 . 1 . . 616 . A 291 VAL HB . 30808 1
47 . 1 . 1 6 6 VAL HG11 H 1 0.867 0.011 . 2 . . 617 . A 291 VAL HG11 . 30808 1
48 . 1 . 1 6 6 VAL HG12 H 1 0.867 0.011 . 2 . . 617 . A 291 VAL HG12 . 30808 1
49 . 1 . 1 6 6 VAL HG13 H 1 0.867 0.011 . 2 . . 617 . A 291 VAL HG13 . 30808 1
50 . 1 . 1 6 6 VAL HG21 H 1 0.870 0.013 . 2 . . 618 . A 291 VAL HG21 . 30808 1
51 . 1 . 1 6 6 VAL HG22 H 1 0.870 0.013 . 2 . . 618 . A 291 VAL HG22 . 30808 1
52 . 1 . 1 6 6 VAL HG23 H 1 0.870 0.013 . 2 . . 618 . A 291 VAL HG23 . 30808 1
53 . 1 . 1 6 6 VAL CA C 13 62.379 0.034 . 1 . . 259 . A 291 VAL CA . 30808 1
54 . 1 . 1 6 6 VAL CB C 13 32.890 0.077 . 1 . . 258 . A 291 VAL CB . 30808 1
55 . 1 . 1 6 6 VAL CG1 C 13 21.145 0.053 . 2 . . 563 . A 291 VAL CG1 . 30808 1
56 . 1 . 1 6 6 VAL CG2 C 13 20.169 0.033 . 2 . . 562 . A 291 VAL CG2 . 30808 1
57 . 1 . 1 6 6 VAL N N 15 120.279 0.055 . 1 . . 176 . A 291 VAL N . 30808 1
58 . 1 . 1 7 7 ASP H H 1 8.225 0.013 . 1 . . 223 . A 292 ASP H . 30808 1
59 . 1 . 1 7 7 ASP HA H 1 4.485 0.002 . 1 . . 619 . A 292 ASP HA . 30808 1
60 . 1 . 1 7 7 ASP HB2 H 1 2.546 0.005 . 2 . . 620 . A 292 ASP HB2 . 30808 1
61 . 1 . 1 7 7 ASP HB3 H 1 2.601 0.005 . 2 . . 621 . A 292 ASP HB3 . 30808 1
62 . 1 . 1 7 7 ASP CA C 13 54.637 0.073 . 1 . . 261 . A 292 ASP CA . 30808 1
63 . 1 . 1 7 7 ASP CB C 13 41.230 0.051 . 1 . . 260 . A 292 ASP CB . 30808 1
64 . 1 . 1 7 7 ASP N N 15 122.227 0.06 . 1 . . 224 . A 292 ASP N . 30808 1
65 . 1 . 1 8 8 LEU H H 1 7.939 0.008 . 1 . . 141 . A 293 LEU H . 30808 1
66 . 1 . 1 8 8 LEU HA H 1 4.216 0.012 . 1 . . 625 . A 293 LEU HA . 30808 1
67 . 1 . 1 8 8 LEU HB2 H 1 1.312 0.009 . 2 . . 626 . A 293 LEU HB2 . 30808 1
68 . 1 . 1 8 8 LEU HB3 H 1 1.404 0.005 . 2 . . 627 . A 293 LEU HB3 . 30808 1
69 . 1 . 1 8 8 LEU HG H 1 1.388 0.004 . 1 . . 628 . A 293 LEU HG . 30808 1
70 . 1 . 1 8 8 LEU HD11 H 1 0.834 0.01 . 2 . . 629 . A 293 LEU HD11 . 30808 1
71 . 1 . 1 8 8 LEU HD12 H 1 0.834 0.01 . 2 . . 629 . A 293 LEU HD12 . 30808 1
72 . 1 . 1 8 8 LEU HD13 H 1 0.834 0.01 . 2 . . 629 . A 293 LEU HD13 . 30808 1
73 . 1 . 1 8 8 LEU HD21 H 1 0.764 0.008 . 2 . . 630 . A 293 LEU HD21 . 30808 1
74 . 1 . 1 8 8 LEU HD22 H 1 0.764 0.008 . 2 . . 630 . A 293 LEU HD22 . 30808 1
75 . 1 . 1 8 8 LEU HD23 H 1 0.764 0.008 . 2 . . 630 . A 293 LEU HD23 . 30808 1
76 . 1 . 1 8 8 LEU CA C 13 55.199 0.052 . 1 . . 262 . A 293 LEU CA . 30808 1
77 . 1 . 1 8 8 LEU CB C 13 42.950 0.069 . 1 . . 263 . A 293 LEU CB . 30808 1
78 . 1 . 1 8 8 LEU CG C 13 26.894 0.067 . 1 . . 564 . A 293 LEU CG . 30808 1
79 . 1 . 1 8 8 LEU CD1 C 13 24.667 0.08 . 2 . . 928 . A 293 LEU CD1 . 30808 1
80 . 1 . 1 8 8 LEU CD2 C 13 23.772 0.058 . 2 . . 711 . A 293 LEU CD2 . 30808 1
81 . 1 . 1 8 8 LEU N N 15 120.975 0.05 . 1 . . 142 . A 293 LEU N . 30808 1
82 . 1 . 1 9 9 TYR H H 1 8.030 0.007 . 1 . . 185 . A 294 TYR H . 30808 1
83 . 1 . 1 9 9 TYR HA H 1 4.579 0.005 . 1 . . 631 . A 294 TYR HA . 30808 1
84 . 1 . 1 9 9 TYR HB2 H 1 2.953 0.006 . 2 . . 632 . A 294 TYR HB2 . 30808 1
85 . 1 . 1 9 9 TYR HB3 H 1 2.677 0.006 . 2 . . 633 . A 294 TYR HB3 . 30808 1
86 . 1 . 1 9 9 TYR HD1 H 1 7.106 0.005 . 1 . . 833 . A 294 TYR HD1 . 30808 1
87 . 1 . 1 9 9 TYR HD2 H 1 7.106 0.005 . 1 . . 833 . A 294 TYR HD2 . 30808 1
88 . 1 . 1 9 9 TYR HE1 H 1 6.818 0.007 . 1 . . 835 . A 294 TYR HE1 . 30808 1
89 . 1 . 1 9 9 TYR HE2 H 1 6.818 0.007 . 1 . . 835 . A 294 TYR HE2 . 30808 1
90 . 1 . 1 9 9 TYR CA C 13 57.227 0.076 . 1 . . 265 . A 294 TYR CA . 30808 1
91 . 1 . 1 9 9 TYR CB C 13 39.182 0.076 . 1 . . 264 . A 294 TYR CB . 30808 1
92 . 1 . 1 9 9 TYR CD1 C 13 133.147 0.026 . 1 . . 832 . A 294 TYR CD1 . 30808 1
93 . 1 . 1 9 9 TYR CD2 C 13 133.147 0.026 . 1 . . 832 . A 294 TYR CD2 . 30808 1
94 . 1 . 1 9 9 TYR CE1 C 13 118.431 0.073 . 1 . . 834 . A 294 TYR CE1 . 30808 1
95 . 1 . 1 9 9 TYR CE2 C 13 118.431 0.073 . 1 . . 834 . A 294 TYR CE2 . 30808 1
96 . 1 . 1 9 9 TYR N N 15 120.533 0.051 . 1 . . 186 . A 294 TYR N . 30808 1
97 . 1 . 1 10 10 VAL H H 1 7.844 0.01 . 1 . . 171 . A 295 VAL H . 30808 1
98 . 1 . 1 10 10 VAL HA H 1 4.045 0.003 . 1 . . 634 . A 295 VAL HA . 30808 1
99 . 1 . 1 10 10 VAL HB H 1 1.530 0.005 . 1 . . 635 . A 295 VAL HB . 30808 1
100 . 1 . 1 10 10 VAL HG11 H 1 0.624 0.008 . 2 . . 636 . A 295 VAL HG11 . 30808 1
101 . 1 . 1 10 10 VAL HG12 H 1 0.624 0.008 . 2 . . 636 . A 295 VAL HG12 . 30808 1
102 . 1 . 1 10 10 VAL HG13 H 1 0.624 0.008 . 2 . . 636 . A 295 VAL HG13 . 30808 1
103 . 1 . 1 10 10 VAL HG21 H 1 0.634 0.009 . 2 . . 637 . A 295 VAL HG21 . 30808 1
104 . 1 . 1 10 10 VAL HG22 H 1 0.634 0.009 . 2 . . 637 . A 295 VAL HG22 . 30808 1
105 . 1 . 1 10 10 VAL HG23 H 1 0.634 0.009 . 2 . . 637 . A 295 VAL HG23 . 30808 1
106 . 1 . 1 10 10 VAL CA C 13 59.487 0.04 . 1 . . 266 . A 295 VAL CA . 30808 1
107 . 1 . 1 10 10 VAL CB C 13 35.215 0.036 . 1 . . 267 . A 295 VAL CB . 30808 1
108 . 1 . 1 10 10 VAL CG1 C 13 19.304 0.029 . 2 . . 565 . A 295 VAL CG1 . 30808 1
109 . 1 . 1 10 10 VAL CG2 C 13 21.282 0.031 . 2 . . 1752 . A 295 VAL CG2 . 30808 1
110 . 1 . 1 10 10 VAL N N 15 114.914 0.04 . 1 . . 172 . A 295 VAL N . 30808 1
111 . 1 . 1 11 11 CYS H H 1 7.532 0.01 . 1 . . 181 . A 296 CYS H . 30808 1
112 . 1 . 1 11 11 CYS HA H 1 3.871 0.007 . 1 . . 638 . A 296 CYS HA . 30808 1
113 . 1 . 1 11 11 CYS HB2 H 1 1.967 0.006 . 2 . . 718 . A 296 CYS HB2 . 30808 1
114 . 1 . 1 11 11 CYS HB3 H 1 3.524 0.005 . 2 . . 719 . A 296 CYS HB3 . 30808 1
115 . 1 . 1 11 11 CYS CA C 13 58.132 0.059 . 1 . . 269 . A 296 CYS CA . 30808 1
116 . 1 . 1 11 11 CYS CB C 13 31.882 0.034 . 1 . . 268 . A 296 CYS CB . 30808 1
117 . 1 . 1 11 11 CYS N N 15 124.918 0.04 . 1 . . 182 . A 296 CYS N . 30808 1
118 . 1 . 1 12 12 MET H H 1 8.666 0.007 . 1 . . 157 . A 297 MET H . 30808 1
119 . 1 . 1 12 12 MET HA H 1 4.240 0.008 . 1 . . 639 . A 297 MET HA . 30808 1
120 . 1 . 1 12 12 MET HB2 H 1 1.386 0.005 . 2 . . 722 . A 297 MET HB2 . 30808 1
121 . 1 . 1 12 12 MET HB3 H 1 1.762 0.008 . 2 . . 723 . A 297 MET HB3 . 30808 1
122 . 1 . 1 12 12 MET HG2 H 1 2.375 0.006 . 2 . . 720 . A 297 MET HG2 . 30808 1
123 . 1 . 1 12 12 MET HG3 H 1 2.614 0.006 . 2 . . 721 . A 297 MET HG3 . 30808 1
124 . 1 . 1 12 12 MET HE1 H 1 2.085 0.007 . 1 . . 925 . A 297 MET HE1 . 30808 1
125 . 1 . 1 12 12 MET HE2 H 1 2.085 0.007 . 1 . . 925 . A 297 MET HE2 . 30808 1
126 . 1 . 1 12 12 MET HE3 H 1 2.085 0.007 . 1 . . 925 . A 297 MET HE3 . 30808 1
127 . 1 . 1 12 12 MET CA C 13 56.352 0.059 . 1 . . 270 . A 297 MET CA . 30808 1
128 . 1 . 1 12 12 MET CB C 13 31.581 0.076 . 1 . . 100 . A 297 MET CB . 30808 1
129 . 1 . 1 12 12 MET CG C 13 32.571 0.075 . 1 . . 566 . A 297 MET CG . 30808 1
130 . 1 . 1 12 12 MET CE C 13 16.941 0.03 . 1 . . 924 . A 297 MET CE . 30808 1
131 . 1 . 1 12 12 MET N N 15 127.888 0.021 . 1 . . 158 . A 297 MET N . 30808 1
132 . 1 . 1 13 13 PHE H H 1 8.935 0.012 . 1 . . 253 . A 298 PHE H . 30808 1
133 . 1 . 1 13 13 PHE HA H 1 4.993 0.004 . 1 . . 640 . A 298 PHE HA . 30808 1
134 . 1 . 1 13 13 PHE HB2 H 1 3.414 0.004 . 2 . . 641 . A 298 PHE HB2 . 30808 1
135 . 1 . 1 13 13 PHE HB3 H 1 3.240 0.004 . 2 . . 642 . A 298 PHE HB3 . 30808 1
136 . 1 . 1 13 13 PHE HD1 H 1 7.564 0.005 . 1 . . 887 . A 298 PHE HD1 . 30808 1
137 . 1 . 1 13 13 PHE HD2 H 1 7.564 0.005 . 1 . . 887 . A 298 PHE HD2 . 30808 1
138 . 1 . 1 13 13 PHE HE1 H 1 7.526 0.002 . 1 . . 889 . A 298 PHE HE1 . 30808 1
139 . 1 . 1 13 13 PHE HE2 H 1 7.526 0.002 . 1 . . 889 . A 298 PHE HE2 . 30808 1
140 . 1 . 1 13 13 PHE HZ H 1 7.437 0.004 . 1 . . 890 . A 298 PHE HZ . 30808 1
141 . 1 . 1 13 13 PHE CA C 13 59.129 0.041 . 1 . . 271 . A 298 PHE CA . 30808 1
142 . 1 . 1 13 13 PHE CB C 13 40.654 0.028 . 1 . . 272 . A 298 PHE CB . 30808 1
143 . 1 . 1 13 13 PHE CD1 C 13 131.624 0.072 . 1 . . 886 . A 298 PHE CD1 . 30808 1
144 . 1 . 1 13 13 PHE CD2 C 13 131.624 0.072 . 1 . . 886 . A 298 PHE CD2 . 30808 1
145 . 1 . 1 13 13 PHE CE1 C 13 131.004 . . 1 . . 888 . A 298 PHE CE1 . 30808 1
146 . 1 . 1 13 13 PHE CE2 C 13 131.004 . . 1 . . 888 . A 298 PHE CE2 . 30808 1
147 . 1 . 1 13 13 PHE CZ C 13 129.928 0.037 . 1 . . 891 . A 298 PHE CZ . 30808 1
148 . 1 . 1 13 13 PHE N N 15 120.159 0.03 . 1 . . 254 . A 298 PHE N . 30808 1
149 . 1 . 1 14 14 CYS H H 1 8.491 0.011 . 1 . . 361 . A 299 CYS H . 30808 1
150 . 1 . 1 14 14 CYS HA H 1 4.900 0.003 . 1 . . 645 . A 299 CYS HA . 30808 1
151 . 1 . 1 14 14 CYS HB2 H 1 3.399 0.007 . 2 . . 643 . A 299 CYS HB2 . 30808 1
152 . 1 . 1 14 14 CYS HB3 H 1 3.400 0.008 . 2 . . 644 . A 299 CYS HB3 . 30808 1
153 . 1 . 1 14 14 CYS CA C 13 59.085 0.074 . 1 . . 567 . A 299 CYS CA . 30808 1
154 . 1 . 1 14 14 CYS CB C 13 31.435 0.071 . 1 . . 273 . A 299 CYS CB . 30808 1
155 . 1 . 1 14 14 CYS N N 15 117.765 0.036 . 1 . . 362 . A 299 CYS N . 30808 1
156 . 1 . 1 15 15 GLY H H 1 8.051 0.01 . 1 . . 147 . A 300 GLY H . 30808 1
157 . 1 . 1 15 15 GLY HA2 H 1 3.855 0.01 . 2 . . 646 . A 300 GLY HA2 . 30808 1
158 . 1 . 1 15 15 GLY HA3 H 1 4.070 0.008 . 2 . . 647 . A 300 GLY HA3 . 30808 1
159 . 1 . 1 15 15 GLY CA C 13 46.505 0.065 . 1 . . 274 . A 300 GLY CA . 30808 1
160 . 1 . 1 15 15 GLY N N 15 112.169 0.035 . 1 . . 148 . A 300 GLY N . 30808 1
161 . 1 . 1 16 16 ARG H H 1 8.525 0.009 . 1 . . 205 . A 301 ARG H . 30808 1
162 . 1 . 1 16 16 ARG HA H 1 4.818 0.005 . 1 . . 648 . A 301 ARG HA . 30808 1
163 . 1 . 1 16 16 ARG HB2 H 1 2.145 0.003 . 2 . . 724 . A 301 ARG HB2 . 30808 1
164 . 1 . 1 16 16 ARG HB3 H 1 2.287 0.003 . 2 . . 725 . A 301 ARG HB3 . 30808 1
165 . 1 . 1 16 16 ARG HG2 H 1 1.691 0.005 . 2 . . 726 . A 301 ARG HG2 . 30808 1
166 . 1 . 1 16 16 ARG HG3 H 1 1.858 0.008 . 2 . . 727 . A 301 ARG HG3 . 30808 1
167 . 1 . 1 16 16 ARG HD2 H 1 3.292 0.005 . 2 . . 649 . A 301 ARG HD2 . 30808 1
168 . 1 . 1 16 16 ARG HD3 H 1 3.292 0.005 . 2 . . 650 . A 301 ARG HD3 . 30808 1
169 . 1 . 1 16 16 ARG CA C 13 55.193 0.032 . 1 . . 275 . A 301 ARG CA . 30808 1
170 . 1 . 1 16 16 ARG CB C 13 33.341 0.026 . 1 . . 99 . A 301 ARG CB . 30808 1
171 . 1 . 1 16 16 ARG CG C 13 27.472 0.026 . 1 . . 569 . A 301 ARG CG . 30808 1
172 . 1 . 1 16 16 ARG CD C 13 43.258 0.029 . 1 . . 568 . A 301 ARG CD . 30808 1
173 . 1 . 1 16 16 ARG N N 15 119.286 0.02 . 1 . . 206 . A 301 ARG N . 30808 1
174 . 1 . 1 17 17 GLY H H 1 8.965 0.006 . 1 . . 197 . A 302 GLY H . 30808 1
175 . 1 . 1 17 17 GLY HA2 H 1 3.755 0.01 . 2 . . 728 . A 302 GLY HA2 . 30808 1
176 . 1 . 1 17 17 GLY HA3 H 1 4.690 0.001 . 2 . . 729 . A 302 GLY HA3 . 30808 1
177 . 1 . 1 17 17 GLY CA C 13 44.617 0.059 . 1 . . 276 . A 302 GLY CA . 30808 1
178 . 1 . 1 17 17 GLY N N 15 109.404 0.03 . 1 . . 198 . A 302 GLY N . 30808 1
179 . 1 . 1 18 18 ASN H H 1 7.728 0.01 . 1 . . 187 . A 303 ASN H . 30808 1
180 . 1 . 1 18 18 ASN HA H 1 4.858 0.003 . 1 . . 651 . A 303 ASN HA . 30808 1
181 . 1 . 1 18 18 ASN HB2 H 1 3.207 0.002 . 2 . . 652 . A 303 ASN HB2 . 30808 1
182 . 1 . 1 18 18 ASN HB3 H 1 3.023 0.007 . 2 . . 653 . A 303 ASN HB3 . 30808 1
183 . 1 . 1 18 18 ASN CA C 13 52.203 0.051 . 1 . . 277 . A 303 ASN CA . 30808 1
184 . 1 . 1 18 18 ASN CB C 13 37.631 0.021 . 1 . . 278 . A 303 ASN CB . 30808 1
185 . 1 . 1 18 18 ASN N N 15 115.364 0.03 . 1 . . 188 . A 303 ASN N . 30808 1
186 . 1 . 1 19 19 ASN H H 1 9.236 0.009 . 1 . . 221 . A 304 ASN H . 30808 1
187 . 1 . 1 19 19 ASN HA H 1 4.457 0.007 . 1 . . 654 . A 304 ASN HA . 30808 1
188 . 1 . 1 19 19 ASN HB2 H 1 2.986 0.007 . 2 . . 655 . A 304 ASN HB2 . 30808 1
189 . 1 . 1 19 19 ASN HB3 H 1 2.672 0.005 . 2 . . 656 . A 304 ASN HB3 . 30808 1
190 . 1 . 1 19 19 ASN CA C 13 55.330 0.046 . 1 . . 730 . A 304 ASN CA . 30808 1
191 . 1 . 1 19 19 ASN CB C 13 38.482 0.043 . 1 . . 279 . A 304 ASN CB . 30808 1
192 . 1 . 1 19 19 ASN N N 15 115.914 0.042 . 1 . . 222 . A 304 ASN N . 30808 1
193 . 1 . 1 20 20 GLU H H 1 9.823 0.014 . 1 . . 209 . A 305 GLU H . 30808 1
194 . 1 . 1 20 20 GLU HA H 1 3.870 0.006 . 1 . . 657 . A 305 GLU HA . 30808 1
195 . 1 . 1 20 20 GLU HB2 H 1 2.186 0.004 . 2 . . 660 . A 305 GLU HB2 . 30808 1
196 . 1 . 1 20 20 GLU HB3 H 1 2.037 0.011 . 2 . . 661 . A 305 GLU HB3 . 30808 1
197 . 1 . 1 20 20 GLU HG2 H 1 2.451 0.008 . 2 . . 658 . A 305 GLU HG2 . 30808 1
198 . 1 . 1 20 20 GLU HG3 H 1 2.451 0.008 . 2 . . 659 . A 305 GLU HG3 . 30808 1
199 . 1 . 1 20 20 GLU CA C 13 60.413 0.065 . 1 . . 547 . A 305 GLU CA . 30808 1
200 . 1 . 1 20 20 GLU CB C 13 28.515 0.045 . 1 . . 280 . A 305 GLU CB . 30808 1
201 . 1 . 1 20 20 GLU CG C 13 36.331 0.025 . 1 . . 570 . A 305 GLU CG . 30808 1
202 . 1 . 1 20 20 GLU N N 15 117.252 0.033 . 1 . . 210 . A 305 GLU N . 30808 1
203 . 1 . 1 21 21 ASP H H 1 9.160 0.008 . 1 . . 151 . A 306 ASP H . 30808 1
204 . 1 . 1 21 21 ASP HA H 1 4.449 0.006 . 1 . . 662 . A 306 ASP HA . 30808 1
205 . 1 . 1 21 21 ASP HB2 H 1 2.771 0.005 . 2 . . 663 . A 306 ASP HB2 . 30808 1
206 . 1 . 1 21 21 ASP HB3 H 1 2.771 0.005 . 2 . . 664 . A 306 ASP HB3 . 30808 1
207 . 1 . 1 21 21 ASP CA C 13 55.271 0.071 . 1 . . 282 . A 306 ASP CA . 30808 1
208 . 1 . 1 21 21 ASP CB C 13 39.071 0.028 . 1 . . 281 . A 306 ASP CB . 30808 1
209 . 1 . 1 21 21 ASP N N 15 117.934 0.029 . 1 . . 152 . A 306 ASP N . 30808 1
210 . 1 . 1 22 22 LYS H H 1 8.171 0.01 . 1 . . 137 . A 307 LYS H . 30808 1
211 . 1 . 1 22 22 LYS HA H 1 4.429 0.005 . 1 . . 665 . A 307 LYS HA . 30808 1
212 . 1 . 1 22 22 LYS HB2 H 1 2.909 0.005 . 2 . . 820 . A 307 LYS HB2 . 30808 1
213 . 1 . 1 22 22 LYS HB3 H 1 1.756 0.005 . 2 . . 821 . A 307 LYS HB3 . 30808 1
214 . 1 . 1 22 22 LYS HG2 H 1 1.409 0.008 . 2 . . 822 . A 307 LYS HG2 . 30808 1
215 . 1 . 1 22 22 LYS HG3 H 1 1.567 0.003 . 2 . . 823 . A 307 LYS HG3 . 30808 1
216 . 1 . 1 22 22 LYS HD2 H 1 1.664 0.005 . 2 . . 824 . A 307 LYS HD2 . 30808 1
217 . 1 . 1 22 22 LYS HD3 H 1 1.763 0.006 . 2 . . 825 . A 307 LYS HD3 . 30808 1
218 . 1 . 1 22 22 LYS HE2 H 1 3.050 0.007 . 2 . . 731 . A 307 LYS HE2 . 30808 1
219 . 1 . 1 22 22 LYS HE3 H 1 3.050 0.007 . 2 . . 826 . A 307 LYS HE3 . 30808 1
220 . 1 . 1 22 22 LYS CA C 13 54.392 0.018 . 1 . . 286 . A 307 LYS CA . 30808 1
221 . 1 . 1 22 22 LYS CB C 13 32.731 0.021 . 1 . . 285 . A 307 LYS CB . 30808 1
222 . 1 . 1 22 22 LYS CG C 13 25.223 0.08 . 1 . . 571 . A 307 LYS CG . 30808 1
223 . 1 . 1 22 22 LYS CD C 13 28.750 0.039 . 1 . . 572 . A 307 LYS CD . 30808 1
224 . 1 . 1 22 22 LYS CE C 13 42.577 0.071 . 1 . . 573 . A 307 LYS CE . 30808 1
225 . 1 . 1 22 22 LYS N N 15 118.558 0.03 . 1 . . 138 . A 307 LYS N . 30808 1
226 . 1 . 1 23 23 LEU H H 1 7.272 0.007 . 1 . . 179 . A 308 LEU H . 30808 1
227 . 1 . 1 23 23 LEU HA H 1 4.176 0.014 . 1 . . 666 . A 308 LEU HA . 30808 1
228 . 1 . 1 23 23 LEU HB2 H 1 1.372 0.004 . 2 . . 670 . A 308 LEU HB2 . 30808 1
229 . 1 . 1 23 23 LEU HB3 H 1 1.580 0.003 . 2 . . 744 . A 308 LEU HB3 . 30808 1
230 . 1 . 1 23 23 LEU HG H 1 1.225 0.007 . 1 . . 669 . A 308 LEU HG . 30808 1
231 . 1 . 1 23 23 LEU HD11 H 1 0.307 0.011 . 2 . . 667 . A 308 LEU HD11 . 30808 1
232 . 1 . 1 23 23 LEU HD12 H 1 0.307 0.011 . 2 . . 667 . A 308 LEU HD12 . 30808 1
233 . 1 . 1 23 23 LEU HD13 H 1 0.307 0.011 . 2 . . 667 . A 308 LEU HD13 . 30808 1
234 . 1 . 1 23 23 LEU HD21 H 1 0.309 0.01 . 2 . . 668 . A 308 LEU HD21 . 30808 1
235 . 1 . 1 23 23 LEU HD22 H 1 0.309 0.01 . 2 . . 668 . A 308 LEU HD22 . 30808 1
236 . 1 . 1 23 23 LEU HD23 H 1 0.309 0.01 . 2 . . 668 . A 308 LEU HD23 . 30808 1
237 . 1 . 1 23 23 LEU CA C 13 54.730 0.052 . 1 . . 288 . A 308 LEU CA . 30808 1
238 . 1 . 1 23 23 LEU CB C 13 43.098 0.072 . 1 . . 287 . A 308 LEU CB . 30808 1
239 . 1 . 1 23 23 LEU CG C 13 26.500 0.055 . 1 . . 574 . A 308 LEU CG . 30808 1
240 . 1 . 1 23 23 LEU CD1 C 13 24.363 0.052 . 2 . . 575 . A 308 LEU CD1 . 30808 1
241 . 1 . 1 23 23 LEU CD2 C 13 24.369 0.048 . 2 . . 745 . A 308 LEU CD2 . 30808 1
242 . 1 . 1 23 23 LEU N N 15 121.480 0.03 . 1 . . 180 . A 308 LEU N . 30808 1
243 . 1 . 1 24 24 LEU H H 1 8.734 0.009 . 1 . . 145 . A 309 LEU H . 30808 1
244 . 1 . 1 24 24 LEU HA H 1 4.226 0.006 . 1 . . 671 . A 309 LEU HA . 30808 1
245 . 1 . 1 24 24 LEU HB2 H 1 0.616 0.004 . 2 . . 732 . A 309 LEU HB2 . 30808 1
246 . 1 . 1 24 24 LEU HB3 H 1 1.033 0.004 . 2 . . 733 . A 309 LEU HB3 . 30808 1
247 . 1 . 1 24 24 LEU HG H 1 1.179 0.006 . 1 . . 739 . A 309 LEU HG . 30808 1
248 . 1 . 1 24 24 LEU HD11 H 1 -0.383 0.007 . 2 . . 735 . A 309 LEU HD11 . 30808 1
249 . 1 . 1 24 24 LEU HD12 H 1 -0.383 0.007 . 2 . . 735 . A 309 LEU HD12 . 30808 1
250 . 1 . 1 24 24 LEU HD13 H 1 -0.383 0.007 . 2 . . 735 . A 309 LEU HD13 . 30808 1
251 . 1 . 1 24 24 LEU HD21 H 1 0.243 0.003 . 2 . . 737 . A 309 LEU HD21 . 30808 1
252 . 1 . 1 24 24 LEU HD22 H 1 0.243 0.003 . 2 . . 737 . A 309 LEU HD22 . 30808 1
253 . 1 . 1 24 24 LEU HD23 H 1 0.243 0.003 . 2 . . 737 . A 309 LEU HD23 . 30808 1
254 . 1 . 1 24 24 LEU CA C 13 53.582 0.044 . 1 . . 289 . A 309 LEU CA . 30808 1
255 . 1 . 1 24 24 LEU CB C 13 43.394 0.054 . 1 . . 290 . A 309 LEU CB . 30808 1
256 . 1 . 1 24 24 LEU CG C 13 25.898 0.047 . 1 . . 738 . A 309 LEU CG . 30808 1
257 . 1 . 1 24 24 LEU CD1 C 13 24.817 0.069 . 2 . . 734 . A 309 LEU CD1 . 30808 1
258 . 1 . 1 24 24 LEU CD2 C 13 23.863 0.07 . 2 . . 736 . A 309 LEU CD2 . 30808 1
259 . 1 . 1 24 24 LEU N N 15 126.922 0.045 . 1 . . 146 . A 309 LEU N . 30808 1
260 . 1 . 1 25 25 LEU H H 1 8.127 0.007 . 1 . . 225 . A 310 LEU H . 30808 1
261 . 1 . 1 25 25 LEU HA H 1 4.740 0.006 . 1 . . 672 . A 310 LEU HA . 30808 1
262 . 1 . 1 25 25 LEU HB2 H 1 1.215 0.005 . 2 . . 673 . A 310 LEU HB2 . 30808 1
263 . 1 . 1 25 25 LEU HB3 H 1 1.523 0.003 . 2 . . 740 . A 310 LEU HB3 . 30808 1
264 . 1 . 1 25 25 LEU HG H 1 1.307 0.005 . 1 . . 741 . A 310 LEU HG . 30808 1
265 . 1 . 1 25 25 LEU HD11 H 1 0.602 0.008 . 2 . . 743 . A 310 LEU HD11 . 30808 1
266 . 1 . 1 25 25 LEU HD12 H 1 0.602 0.008 . 2 . . 743 . A 310 LEU HD12 . 30808 1
267 . 1 . 1 25 25 LEU HD13 H 1 0.602 0.008 . 2 . . 743 . A 310 LEU HD13 . 30808 1
268 . 1 . 1 25 25 LEU HD21 H 1 0.587 0.007 . 2 . . 1753 . A 310 LEU HD21 . 30808 1
269 . 1 . 1 25 25 LEU HD22 H 1 0.587 0.007 . 2 . . 1753 . A 310 LEU HD22 . 30808 1
270 . 1 . 1 25 25 LEU HD23 H 1 0.587 0.007 . 2 . . 1753 . A 310 LEU HD23 . 30808 1
271 . 1 . 1 25 25 LEU CA C 13 53.396 0.065 . 1 . . 296 . A 310 LEU CA . 30808 1
272 . 1 . 1 25 25 LEU CB C 13 43.810 0.056 . 1 . . 291 . A 310 LEU CB . 30808 1
273 . 1 . 1 25 25 LEU CG C 13 27.337 0.055 . 1 . . 576 . A 310 LEU CG . 30808 1
274 . 1 . 1 25 25 LEU CD1 C 13 24.007 0.052 . 2 . . 742 . A 310 LEU CD1 . 30808 1
275 . 1 . 1 25 25 LEU CD2 C 13 25.148 0.053 . 2 . . 712 . A 310 LEU CD2 . 30808 1
276 . 1 . 1 25 25 LEU N N 15 122.828 0.05 . 1 . . 226 . A 310 LEU N . 30808 1
277 . 1 . 1 26 26 CYS H H 1 9.116 0.007 . 1 . . 292 . A 311 CYS H . 30808 1
278 . 1 . 1 26 26 CYS HA H 1 4.657 0.008 . 1 . . 674 . A 311 CYS HA . 30808 1
279 . 1 . 1 26 26 CYS HB2 H 1 2.937 0.005 . 2 . . 746 . A 311 CYS HB2 . 30808 1
280 . 1 . 1 26 26 CYS HB3 H 1 3.539 0.004 . 2 . . 747 . A 311 CYS HB3 . 30808 1
281 . 1 . 1 26 26 CYS CA C 13 60.355 0.053 . 1 . . 295 . A 311 CYS CA . 30808 1
282 . 1 . 1 26 26 CYS CB C 13 30.929 0.06 . 1 . . 294 . A 311 CYS CB . 30808 1
283 . 1 . 1 26 26 CYS N N 15 128.035 0.045 . 1 . . 293 . A 311 CYS N . 30808 1
284 . 1 . 1 27 27 ASP H H 1 9.231 0.005 . 1 . . 125 . A 312 ASP H . 30808 1
285 . 1 . 1 27 27 ASP CA C 13 56.990 0.018 . 1 . . 297 . A 312 ASP CA . 30808 1
286 . 1 . 1 27 27 ASP CB C 13 41.929 0.023 . 1 . . 298 . A 312 ASP CB . 30808 1
287 . 1 . 1 27 27 ASP N N 15 129.838 0.043 . 1 . . 126 . A 312 ASP N . 30808 1
288 . 1 . 1 28 28 GLY H H 1 9.999 0.013 . 1 . . 191 . A 313 GLY H . 30808 1
289 . 1 . 1 28 28 GLY HA2 H 1 4.048 0.009 . 2 . . 675 . A 313 GLY HA2 . 30808 1
290 . 1 . 1 28 28 GLY HA3 H 1 4.155 0.007 . 2 . . 676 . A 313 GLY HA3 . 30808 1
291 . 1 . 1 28 28 GLY CA C 13 46.202 0.069 . 1 . . 577 . A 313 GLY CA . 30808 1
292 . 1 . 1 28 28 GLY N N 15 112.767 0.054 . 1 . . 192 . A 313 GLY N . 30808 1
293 . 1 . 1 29 29 CYS H H 1 8.025 0.014 . 1 . . 161 . A 314 CYS H . 30808 1
294 . 1 . 1 29 29 CYS CA C 13 58.532 0.018 . 1 . . 578 . A 314 CYS CA . 30808 1
295 . 1 . 1 29 29 CYS CB C 13 32.802 . . 1 . . 579 . A 314 CYS CB . 30808 1
296 . 1 . 1 29 29 CYS N N 15 120.999 0.053 . 1 . . 162 . A 314 CYS N . 30808 1
297 . 1 . 1 30 30 ASP H H 1 8.164 0.006 . 1 . . 195 . A 315 ASP H . 30808 1
298 . 1 . 1 30 30 ASP HA H 1 4.705 0.007 . 1 . . 677 . A 315 ASP HA . 30808 1
299 . 1 . 1 30 30 ASP HB2 H 1 3.121 0.01 . 2 . . 678 . A 315 ASP HB2 . 30808 1
300 . 1 . 1 30 30 ASP HB3 H 1 2.821 0.008 . 2 . . 679 . A 315 ASP HB3 . 30808 1
301 . 1 . 1 30 30 ASP CA C 13 56.408 0.032 . 1 . . 331 . A 315 ASP CA . 30808 1
302 . 1 . 1 30 30 ASP CB C 13 41.417 0.072 . 1 . . 330 . A 315 ASP CB . 30808 1
303 . 1 . 1 30 30 ASP N N 15 119.080 0.052 . 1 . . 196 . A 315 ASP N . 30808 1
304 . 1 . 1 31 31 ASP H H 1 8.794 0.013 . 1 . . 207 . A 316 ASP H . 30808 1
305 . 1 . 1 31 31 ASP HA H 1 4.808 0.007 . 1 . . 680 . A 316 ASP HA . 30808 1
306 . 1 . 1 31 31 ASP HB2 H 1 3.116 0.013 . 2 . . 681 . A 316 ASP HB2 . 30808 1
307 . 1 . 1 31 31 ASP HB3 H 1 2.609 0.008 . 2 . . 682 . A 316 ASP HB3 . 30808 1
308 . 1 . 1 31 31 ASP CA C 13 55.740 0.067 . 1 . . 581 . A 316 ASP CA . 30808 1
309 . 1 . 1 31 31 ASP CB C 13 42.413 0.056 . 1 . . 580 . A 316 ASP CB . 30808 1
310 . 1 . 1 31 31 ASP N N 15 122.738 0.028 . 1 . . 208 . A 316 ASP N . 30808 1
311 . 1 . 1 32 32 SER H H 1 8.029 0.011 . 1 . . 139 . A 317 SER H . 30808 1
312 . 1 . 1 32 32 SER HA H 1 5.893 0.013 . 1 . . 749 . A 317 SER HA . 30808 1
313 . 1 . 1 32 32 SER HB2 H 1 3.409 0.003 . 1 . . 750 . A 317 SER HB2 . 30808 1
314 . 1 . 1 32 32 SER HB3 H 1 3.409 0.003 . 1 . . 751 . A 317 SER HB3 . 30808 1
315 . 1 . 1 32 32 SER CA C 13 56.550 0.049 . 1 . . 299 . A 317 SER CA . 30808 1
316 . 1 . 1 32 32 SER CB C 13 66.266 0.052 . 1 . . 300 . A 317 SER CB . 30808 1
317 . 1 . 1 32 32 SER N N 15 113.237 0.049 . 1 . . 140 . A 317 SER N . 30808 1
318 . 1 . 1 33 33 TYR H H 1 8.526 0.005 . 1 . . 199 . A 318 TYR H . 30808 1
319 . 1 . 1 33 33 TYR HA H 1 5.475 0.003 . 1 . . 683 . A 318 TYR HA . 30808 1
320 . 1 . 1 33 33 TYR HB2 H 1 2.780 0.007 . 2 . . 752 . A 318 TYR HB2 . 30808 1
321 . 1 . 1 33 33 TYR HB3 H 1 2.520 0.01 . 2 . . 753 . A 318 TYR HB3 . 30808 1
322 . 1 . 1 33 33 TYR HD1 H 1 6.989 0.007 . 1 . . 894 . A 318 TYR HD1 . 30808 1
323 . 1 . 1 33 33 TYR HD2 H 1 6.989 0.007 . 1 . . 894 . A 318 TYR HD2 . 30808 1
324 . 1 . 1 33 33 TYR HE1 H 1 6.616 0.005 . 1 . . 893 . A 318 TYR HE1 . 30808 1
325 . 1 . 1 33 33 TYR HE2 H 1 6.616 0.005 . 1 . . 893 . A 318 TYR HE2 . 30808 1
326 . 1 . 1 33 33 TYR CA C 13 56.477 0.052 . 1 . . 301 . A 318 TYR CA . 30808 1
327 . 1 . 1 33 33 TYR CB C 13 44.558 0.035 . 1 . . 302 . A 318 TYR CB . 30808 1
328 . 1 . 1 33 33 TYR CD1 C 13 133.299 0.049 . 1 . . 895 . A 318 TYR CD1 . 30808 1
329 . 1 . 1 33 33 TYR CD2 C 13 133.299 0.049 . 1 . . 895 . A 318 TYR CD2 . 30808 1
330 . 1 . 1 33 33 TYR CE1 C 13 117.730 0.062 . 1 . . 892 . A 318 TYR CE1 . 30808 1
331 . 1 . 1 33 33 TYR CE2 C 13 117.730 0.062 . 1 . . 892 . A 318 TYR CE2 . 30808 1
332 . 1 . 1 33 33 TYR N N 15 118.397 0.035 . 1 . . 200 . A 318 TYR N . 30808 1
333 . 1 . 1 34 34 HIS H H 1 9.124 0.008 . 1 . . 167 . A 319 HIS H . 30808 1
334 . 1 . 1 34 34 HIS HA H 1 5.060 0.004 . 1 . . 684 . A 319 HIS HA . 30808 1
335 . 1 . 1 34 34 HIS HB2 H 1 1.343 0.006 . 2 . . 829 . A 319 HIS HB2 . 30808 1
336 . 1 . 1 34 34 HIS HB3 H 1 3.075 0.002 . 2 . . 830 . A 319 HIS HB3 . 30808 1
337 . 1 . 1 34 34 HIS HD2 H 1 6.697 0.007 . 1 . . 912 . A 319 HIS HD2 . 30808 1
338 . 1 . 1 34 34 HIS HE1 H 1 7.511 0.007 . 1 . . 909 . A 319 HIS HE1 . 30808 1
339 . 1 . 1 34 34 HIS CA C 13 57.896 0.053 . 1 . . 507 . A 319 HIS CA . 30808 1
340 . 1 . 1 34 34 HIS CB C 13 30.643 0.066 . 1 . . 303 . A 319 HIS CB . 30808 1
341 . 1 . 1 34 34 HIS CD2 C 13 118.106 0.027 . 1 . . 911 . A 319 HIS CD2 . 30808 1
342 . 1 . 1 34 34 HIS CE1 C 13 138.969 0.028 . 1 . . 910 . A 319 HIS CE1 . 30808 1
343 . 1 . 1 34 34 HIS N N 15 121.296 0.049 . 1 . . 168 . A 319 HIS N . 30808 1
344 . 1 . 1 35 35 THR H H 1 8.885 0.011 . 1 . . 121 . A 320 THR H . 30808 1
345 . 1 . 1 35 35 THR HA H 1 3.623 0.006 . 1 . . 755 . A 320 THR HA . 30808 1
346 . 1 . 1 35 35 THR HB H 1 4.412 0.007 . 1 . . 754 . A 320 THR HB . 30808 1
347 . 1 . 1 35 35 THR HG21 H 1 1.137 0.009 . 1 . . 756 . A 320 THR HG21 . 30808 1
348 . 1 . 1 35 35 THR HG22 H 1 1.137 0.009 . 1 . . 756 . A 320 THR HG22 . 30808 1
349 . 1 . 1 35 35 THR HG23 H 1 1.137 0.009 . 1 . . 756 . A 320 THR HG23 . 30808 1
350 . 1 . 1 35 35 THR CA C 13 65.007 0.021 . 1 . . 304 . A 320 THR CA . 30808 1
351 . 1 . 1 35 35 THR CB C 13 66.123 0.037 . 1 . . 305 . A 320 THR CB . 30808 1
352 . 1 . 1 35 35 THR CG2 C 13 23.776 0.02 . 1 . . 582 . A 320 THR CG2 . 30808 1
353 . 1 . 1 35 35 THR N N 15 113.413 0.032 . 1 . . 122 . A 320 THR N . 30808 1
354 . 1 . 1 36 36 PHE H H 1 6.513 0.005 . 1 . . 131 . A 321 PHE H . 30808 1
355 . 1 . 1 36 36 PHE HA H 1 4.730 0.005 . 1 . . 685 . A 321 PHE HA . 30808 1
356 . 1 . 1 36 36 PHE HB2 H 1 2.981 0.003 . 2 . . 757 . A 321 PHE HB2 . 30808 1
357 . 1 . 1 36 36 PHE HB3 H 1 3.579 0.004 . 2 . . 758 . A 321 PHE HB3 . 30808 1
358 . 1 . 1 36 36 PHE HD1 H 1 7.254 0.006 . 1 . . 897 . A 321 PHE HD1 . 30808 1
359 . 1 . 1 36 36 PHE HD2 H 1 7.254 0.006 . 1 . . 897 . A 321 PHE HD2 . 30808 1
360 . 1 . 1 36 36 PHE HE1 H 1 7.017 0.007 . 1 . . 899 . A 321 PHE HE1 . 30808 1
361 . 1 . 1 36 36 PHE HE2 H 1 7.017 0.007 . 1 . . 899 . A 321 PHE HE2 . 30808 1
362 . 1 . 1 36 36 PHE HZ H 1 6.370 0.007 . 1 . . 901 . A 321 PHE HZ . 30808 1
363 . 1 . 1 36 36 PHE CA C 13 56.219 0.051 . 1 . . 307 . A 321 PHE CA . 30808 1
364 . 1 . 1 36 36 PHE CB C 13 37.462 0.028 . 1 . . 306 . A 321 PHE CB . 30808 1
365 . 1 . 1 36 36 PHE CD1 C 13 132.847 0.042 . 1 . . 896 . A 321 PHE CD1 . 30808 1
366 . 1 . 1 36 36 PHE CD2 C 13 132.847 0.042 . 1 . . 896 . A 321 PHE CD2 . 30808 1
367 . 1 . 1 36 36 PHE CE1 C 13 131.910 0.067 . 1 . . 898 . A 321 PHE CE1 . 30808 1
368 . 1 . 1 36 36 PHE CE2 C 13 131.910 0.067 . 1 . . 898 . A 321 PHE CE2 . 30808 1
369 . 1 . 1 36 36 PHE CZ C 13 129.939 0.068 . 1 . . 900 . A 321 PHE CZ . 30808 1
370 . 1 . 1 36 36 PHE N N 15 111.308 0.027 . 1 . . 132 . A 321 PHE N . 30808 1
371 . 1 . 1 37 37 CYS H H 1 7.525 0.01 . 1 . . 123 . A 322 CYS H . 30808 1
372 . 1 . 1 37 37 CYS HA H 1 4.400 0.003 . 1 . . 686 . A 322 CYS HA . 30808 1
373 . 1 . 1 37 37 CYS HB2 H 1 2.913 0.007 . 2 . . 759 . A 322 CYS HB2 . 30808 1
374 . 1 . 1 37 37 CYS HB3 H 1 3.464 0.003 . 2 . . 760 . A 322 CYS HB3 . 30808 1
375 . 1 . 1 37 37 CYS CA C 13 61.629 0.061 . 1 . . 309 . A 322 CYS CA . 30808 1
376 . 1 . 1 37 37 CYS CB C 13 31.519 0.068 . 1 . . 308 . A 322 CYS CB . 30808 1
377 . 1 . 1 37 37 CYS N N 15 123.557 0.045 . 1 . . 124 . A 322 CYS N . 30808 1
378 . 1 . 1 38 38 LEU H H 1 6.500 0.009 . 1 . . 143 . A 323 LEU H . 30808 1
379 . 1 . 1 38 38 LEU HA H 1 4.105 0.003 . 1 . . 687 . A 323 LEU HA . 30808 1
380 . 1 . 1 38 38 LEU HB2 H 1 1.455 0.004 . 2 . . 761 . A 323 LEU HB2 . 30808 1
381 . 1 . 1 38 38 LEU HB3 H 1 1.758 0.008 . 2 . . 762 . A 323 LEU HB3 . 30808 1
382 . 1 . 1 38 38 LEU HG H 1 1.833 0.01 . 1 . . 1459 . A 323 LEU HG . 30808 1
383 . 1 . 1 38 38 LEU HD11 H 1 0.707 0.004 . 2 . . 763 . A 323 LEU HD11 . 30808 1
384 . 1 . 1 38 38 LEU HD12 H 1 0.707 0.004 . 2 . . 763 . A 323 LEU HD12 . 30808 1
385 . 1 . 1 38 38 LEU HD13 H 1 0.707 0.004 . 2 . . 763 . A 323 LEU HD13 . 30808 1
386 . 1 . 1 38 38 LEU HD21 H 1 0.881 0.008 . 2 . . 1461 . A 323 LEU HD21 . 30808 1
387 . 1 . 1 38 38 LEU HD22 H 1 0.881 0.008 . 2 . . 1461 . A 323 LEU HD22 . 30808 1
388 . 1 . 1 38 38 LEU HD23 H 1 0.881 0.008 . 2 . . 1461 . A 323 LEU HD23 . 30808 1
389 . 1 . 1 38 38 LEU CA C 13 55.048 0.029 . 1 . . 311 . A 323 LEU CA . 30808 1
390 . 1 . 1 38 38 LEU CB C 13 44.212 0.031 . 1 . . 310 . A 323 LEU CB . 30808 1
391 . 1 . 1 38 38 LEU CG C 13 27.016 0.025 . 1 . . 1462 . A 323 LEU CG . 30808 1
392 . 1 . 1 38 38 LEU CD1 C 13 23.156 0.074 . 2 . . 583 . A 323 LEU CD1 . 30808 1
393 . 1 . 1 38 38 LEU CD2 C 13 27.007 0.043 . 2 . . 1460 . A 323 LEU CD2 . 30808 1
394 . 1 . 1 38 38 LEU N N 15 119.781 0.03 . 1 . . 144 . A 323 LEU N . 30808 1
395 . 1 . 1 39 39 ILE H H 1 8.129 0.005 . 1 . . 283 . A 324 ILE H . 30808 1
396 . 1 . 1 39 39 ILE HA H 1 4.253 0.003 . 1 . . 871 . A 324 ILE HA . 30808 1
397 . 1 . 1 39 39 ILE HB H 1 1.731 0.005 . 1 . . 869 . A 324 ILE HB . 30808 1
398 . 1 . 1 39 39 ILE HG12 H 1 0.874 0.004 . 2 . . 877 . A 324 ILE HG12 . 30808 1
399 . 1 . 1 39 39 ILE HG13 H 1 1.388 0.002 . 2 . . 878 . A 324 ILE HG13 . 30808 1
400 . 1 . 1 39 39 ILE HG21 H 1 0.819 0.003 . 1 . . 874 . A 324 ILE HG21 . 30808 1
401 . 1 . 1 39 39 ILE HG22 H 1 0.819 0.003 . 1 . . 874 . A 324 ILE HG22 . 30808 1
402 . 1 . 1 39 39 ILE HG23 H 1 0.819 0.003 . 1 . . 874 . A 324 ILE HG23 . 30808 1
403 . 1 . 1 39 39 ILE HD11 H 1 0.781 0.004 . 1 . . 876 . A 324 ILE HD11 . 30808 1
404 . 1 . 1 39 39 ILE HD12 H 1 0.781 0.004 . 1 . . 876 . A 324 ILE HD12 . 30808 1
405 . 1 . 1 39 39 ILE HD13 H 1 0.781 0.004 . 1 . . 876 . A 324 ILE HD13 . 30808 1
406 . 1 . 1 39 39 ILE CA C 13 57.824 0.006 . 1 . . 870 . A 324 ILE CA . 30808 1
407 . 1 . 1 39 39 ILE CB C 13 40.006 0.02 . 1 . . 868 . A 324 ILE CB . 30808 1
408 . 1 . 1 39 39 ILE CG1 C 13 26.913 0.031 . 1 . . 872 . A 324 ILE CG1 . 30808 1
409 . 1 . 1 39 39 ILE CG2 C 13 17.191 0.023 . 1 . . 873 . A 324 ILE CG2 . 30808 1
410 . 1 . 1 39 39 ILE CD1 C 13 13.337 0.015 . 1 . . 875 . A 324 ILE CD1 . 30808 1
411 . 1 . 1 39 39 ILE N N 15 118.612 0.019 . 1 . . 284 . A 324 ILE N . 30808 1
412 . 1 . 1 40 40 PRO HA H 1 5.041 0.005 . 1 . . 913 . A 325 PRO HA . 30808 1
413 . 1 . 1 40 40 PRO HB2 H 1 2.073 0.008 . 2 . . 919 . A 325 PRO HB2 . 30808 1
414 . 1 . 1 40 40 PRO HB3 H 1 2.459 0.002 . 2 . . 920 . A 325 PRO HB3 . 30808 1
415 . 1 . 1 40 40 PRO HG2 H 1 1.919 0.013 . 2 . . 921 . A 325 PRO HG2 . 30808 1
416 . 1 . 1 40 40 PRO HG3 H 1 1.962 0.011 . 2 . . 922 . A 325 PRO HG3 . 30808 1
417 . 1 . 1 40 40 PRO HD2 H 1 3.523 0.003 . 2 . . 916 . A 325 PRO HD2 . 30808 1
418 . 1 . 1 40 40 PRO HD3 H 1 3.685 0.009 . 2 . . 917 . A 325 PRO HD3 . 30808 1
419 . 1 . 1 40 40 PRO CA C 13 62.193 0.007 . 1 . . 914 . A 325 PRO CA . 30808 1
420 . 1 . 1 40 40 PRO CB C 13 33.072 0.06 . 1 . . 918 . A 325 PRO CB . 30808 1
421 . 1 . 1 40 40 PRO CG C 13 24.843 0.014 . 1 . . 923 . A 325 PRO CG . 30808 1
422 . 1 . 1 40 40 PRO CD C 13 49.986 0.027 . 1 . . 915 . A 325 PRO CD . 30808 1
423 . 1 . 1 41 41 PRO HA H 1 4.363 0.003 . 1 . . 688 . A 326 PRO HA . 30808 1
424 . 1 . 1 41 41 PRO HB2 H 1 2.012 0.004 . 2 . . 764 . A 326 PRO HB2 . 30808 1
425 . 1 . 1 41 41 PRO HB3 H 1 2.267 0.004 . 2 . . 765 . A 326 PRO HB3 . 30808 1
426 . 1 . 1 41 41 PRO HG2 H 1 2.084 0.004 . 1 . . 766 . A 326 PRO HG2 . 30808 1
427 . 1 . 1 41 41 PRO HG3 H 1 2.084 0.004 . 1 . . 767 . A 326 PRO HG3 . 30808 1
428 . 1 . 1 41 41 PRO HD2 H 1 3.861 0.009 . 2 . . 768 . A 326 PRO HD2 . 30808 1
429 . 1 . 1 41 41 PRO HD3 H 1 3.914 0.013 . 2 . . 769 . A 326 PRO HD3 . 30808 1
430 . 1 . 1 41 41 PRO CA C 13 63.940 0.035 . 1 . . 584 . A 326 PRO CA . 30808 1
431 . 1 . 1 41 41 PRO CB C 13 32.000 0.052 . 1 . . 586 . A 326 PRO CB . 30808 1
432 . 1 . 1 41 41 PRO CG C 13 26.956 0.038 . 1 . . 587 . A 326 PRO CG . 30808 1
433 . 1 . 1 41 41 PRO CD C 13 50.661 0.074 . 1 . . 585 . A 326 PRO CD . 30808 1
434 . 1 . 1 42 42 LEU H H 1 7.250 0.011 . 1 . . 129 . A 327 LEU H . 30808 1
435 . 1 . 1 42 42 LEU HA H 1 4.825 0.005 . 1 . . 858 . A 327 LEU HA . 30808 1
436 . 1 . 1 42 42 LEU HB2 H 1 1.631 0.004 . 2 . . 859 . A 327 LEU HB2 . 30808 1
437 . 1 . 1 42 42 LEU HB3 H 1 1.400 0.006 . 2 . . 861 . A 327 LEU HB3 . 30808 1
438 . 1 . 1 42 42 LEU HG H 1 1.812 0.011 . 1 . . 863 . A 327 LEU HG . 30808 1
439 . 1 . 1 42 42 LEU HD11 H 1 0.797 0.008 . 2 . . 865 . A 327 LEU HD11 . 30808 1
440 . 1 . 1 42 42 LEU HD12 H 1 0.797 0.008 . 2 . . 865 . A 327 LEU HD12 . 30808 1
441 . 1 . 1 42 42 LEU HD13 H 1 0.797 0.008 . 2 . . 865 . A 327 LEU HD13 . 30808 1
442 . 1 . 1 42 42 LEU HD21 H 1 0.940 0.004 . 2 . . 867 . A 327 LEU HD21 . 30808 1
443 . 1 . 1 42 42 LEU HD22 H 1 0.940 0.004 . 2 . . 867 . A 327 LEU HD22 . 30808 1
444 . 1 . 1 42 42 LEU HD23 H 1 0.940 0.004 . 2 . . 867 . A 327 LEU HD23 . 30808 1
445 . 1 . 1 42 42 LEU CA C 13 51.798 0.024 . 1 . . 857 . A 327 LEU CA . 30808 1
446 . 1 . 1 42 42 LEU CB C 13 43.060 0.068 . 1 . . 860 . A 327 LEU CB . 30808 1
447 . 1 . 1 42 42 LEU CG C 13 27.132 0.039 . 1 . . 862 . A 327 LEU CG . 30808 1
448 . 1 . 1 42 42 LEU CD1 C 13 25.828 0.035 . 2 . . 864 . A 327 LEU CD1 . 30808 1
449 . 1 . 1 42 42 LEU CD2 C 13 23.027 0.007 . 2 . . 866 . A 327 LEU CD2 . 30808 1
450 . 1 . 1 42 42 LEU N N 15 114.667 0.039 . 1 . . 130 . A 327 LEU N . 30808 1
451 . 1 . 1 43 43 PRO HA H 1 4.445 0.008 . 1 . . 689 . A 328 PRO HA . 30808 1
452 . 1 . 1 43 43 PRO HB2 H 1 1.898 0.008 . 2 . . 770 . A 328 PRO HB2 . 30808 1
453 . 1 . 1 43 43 PRO HB3 H 1 2.257 0.007 . 2 . . 771 . A 328 PRO HB3 . 30808 1
454 . 1 . 1 43 43 PRO HG2 H 1 2.138 0.003 . 2 . . 772 . A 328 PRO HG2 . 30808 1
455 . 1 . 1 43 43 PRO HG3 H 1 2.005 0.005 . 2 . . 773 . A 328 PRO HG3 . 30808 1
456 . 1 . 1 43 43 PRO HD2 H 1 3.693 0.008 . 2 . . 774 . A 328 PRO HD2 . 30808 1
457 . 1 . 1 43 43 PRO HD3 H 1 3.692 0.007 . 2 . . 775 . A 328 PRO HD3 . 30808 1
458 . 1 . 1 43 43 PRO CA C 13 62.836 0.024 . 1 . . 588 . A 328 PRO CA . 30808 1
459 . 1 . 1 43 43 PRO CB C 13 32.127 0.07 . 1 . . 590 . A 328 PRO CB . 30808 1
460 . 1 . 1 43 43 PRO CG C 13 27.347 0.045 . 1 . . 591 . A 328 PRO CG . 30808 1
461 . 1 . 1 43 43 PRO CD C 13 49.938 0.042 . 1 . . 589 . A 328 PRO CD . 30808 1
462 . 1 . 1 44 44 ASP H H 1 7.660 0.009 . 1 . . 135 . A 329 ASP H . 30808 1
463 . 1 . 1 44 44 ASP HA H 1 4.728 0.004 . 1 . . 691 . A 329 ASP HA . 30808 1
464 . 1 . 1 44 44 ASP HB2 H 1 2.545 0.005 . 2 . . 690 . A 329 ASP HB2 . 30808 1
465 . 1 . 1 44 44 ASP HB3 H 1 2.546 0.002 . 2 . . 692 . A 329 ASP HB3 . 30808 1
466 . 1 . 1 44 44 ASP CA C 13 51.837 0.074 . 1 . . 313 . A 329 ASP CA . 30808 1
467 . 1 . 1 44 44 ASP CB C 13 43.421 0.034 . 1 . . 312 . A 329 ASP CB . 30808 1
468 . 1 . 1 44 44 ASP N N 15 121.642 0.029 . 1 . . 136 . A 329 ASP N . 30808 1
469 . 1 . 1 45 45 VAL H H 1 8.768 0.011 . 1 . . 193 . A 330 VAL H . 30808 1
470 . 1 . 1 45 45 VAL HA H 1 3.892 0.007 . 1 . . 850 . A 330 VAL HA . 30808 1
471 . 1 . 1 45 45 VAL HB H 1 1.988 0.005 . 1 . . 852 . A 330 VAL HB . 30808 1
472 . 1 . 1 45 45 VAL HG11 H 1 0.926 0.008 . 2 . . 854 . A 330 VAL HG11 . 30808 1
473 . 1 . 1 45 45 VAL HG12 H 1 0.926 0.008 . 2 . . 854 . A 330 VAL HG12 . 30808 1
474 . 1 . 1 45 45 VAL HG13 H 1 0.926 0.008 . 2 . . 854 . A 330 VAL HG13 . 30808 1
475 . 1 . 1 45 45 VAL HG21 H 1 0.994 0.007 . 2 . . 856 . A 330 VAL HG21 . 30808 1
476 . 1 . 1 45 45 VAL HG22 H 1 0.994 0.007 . 2 . . 856 . A 330 VAL HG22 . 30808 1
477 . 1 . 1 45 45 VAL HG23 H 1 0.994 0.007 . 2 . . 856 . A 330 VAL HG23 . 30808 1
478 . 1 . 1 45 45 VAL CA C 13 60.726 0.051 . 1 . . 849 . A 330 VAL CA . 30808 1
479 . 1 . 1 45 45 VAL CB C 13 32.395 0.027 . 1 . . 851 . A 330 VAL CB . 30808 1
480 . 1 . 1 45 45 VAL CG1 C 13 20.677 0.011 . 2 . . 853 . A 330 VAL CG1 . 30808 1
481 . 1 . 1 45 45 VAL CG2 C 13 21.612 0.023 . 2 . . 855 . A 330 VAL CG2 . 30808 1
482 . 1 . 1 45 45 VAL N N 15 121.970 0.032 . 1 . . 194 . A 330 VAL N . 30808 1
483 . 1 . 1 46 46 PRO HA H 1 4.461 0.005 . 1 . . 693 . A 331 PRO HA . 30808 1
484 . 1 . 1 46 46 PRO HB2 H 1 1.989 0.005 . 2 . . 776 . A 331 PRO HB2 . 30808 1
485 . 1 . 1 46 46 PRO HB3 H 1 2.356 0.006 . 2 . . 777 . A 331 PRO HB3 . 30808 1
486 . 1 . 1 46 46 PRO HG2 H 1 1.854 0.006 . 2 . . 778 . A 331 PRO HG2 . 30808 1
487 . 1 . 1 46 46 PRO HG3 H 1 1.918 0.007 . 2 . . 779 . A 331 PRO HG3 . 30808 1
488 . 1 . 1 46 46 PRO HD2 H 1 3.462 0.01 . 2 . . 780 . A 331 PRO HD2 . 30808 1
489 . 1 . 1 46 46 PRO HD3 H 1 3.748 0.006 . 2 . . 781 . A 331 PRO HD3 . 30808 1
490 . 1 . 1 46 46 PRO CA C 13 62.840 0.042 . 1 . . 592 . A 331 PRO CA . 30808 1
491 . 1 . 1 46 46 PRO CB C 13 32.255 0.063 . 1 . . 594 . A 331 PRO CB . 30808 1
492 . 1 . 1 46 46 PRO CG C 13 27.089 0.056 . 1 . . 595 . A 331 PRO CG . 30808 1
493 . 1 . 1 46 46 PRO CD C 13 51.378 0.016 . 1 . . 593 . A 331 PRO CD . 30808 1
494 . 1 . 1 47 47 LYS H H 1 8.530 0.005 . 1 . . 173 . A 332 LYS H . 30808 1
495 . 1 . 1 47 47 LYS HA H 1 4.359 0.002 . 1 . . 694 . A 332 LYS HA . 30808 1
496 . 1 . 1 47 47 LYS HB2 H 1 1.772 0.004 . 2 . . 782 . A 332 LYS HB2 . 30808 1
497 . 1 . 1 47 47 LYS HB3 H 1 1.880 0.005 . 2 . . 783 . A 332 LYS HB3 . 30808 1
498 . 1 . 1 47 47 LYS HG2 H 1 1.473 0.004 . 2 . . 784 . A 332 LYS HG2 . 30808 1
499 . 1 . 1 47 47 LYS HG3 H 1 1.552 0.007 . 2 . . 785 . A 332 LYS HG3 . 30808 1
500 . 1 . 1 47 47 LYS HD2 H 1 1.702 0.006 . 1 . . 788 . A 332 LYS HD2 . 30808 1
501 . 1 . 1 47 47 LYS HD3 H 1 1.702 0.006 . 1 . . 789 . A 332 LYS HD3 . 30808 1
502 . 1 . 1 47 47 LYS HE2 H 1 3.038 0.008 . 2 . . 786 . A 332 LYS HE2 . 30808 1
503 . 1 . 1 47 47 LYS HE3 H 1 3.038 0.009 . 2 . . 787 . A 332 LYS HE3 . 30808 1
504 . 1 . 1 47 47 LYS CA C 13 56.044 0.019 . 1 . . 524 . A 332 LYS CA . 30808 1
505 . 1 . 1 47 47 LYS CB C 13 32.748 0.046 . 1 . . 314 . A 332 LYS CB . 30808 1
506 . 1 . 1 47 47 LYS CG C 13 25.043 0.062 . 1 . . 598 . A 332 LYS CG . 30808 1
507 . 1 . 1 47 47 LYS CD C 13 28.777 0.055 . 1 . . 597 . A 332 LYS CD . 30808 1
508 . 1 . 1 47 47 LYS CE C 13 42.313 0.055 . 1 . . 596 . A 332 LYS CE . 30808 1
509 . 1 . 1 47 47 LYS N N 15 121.227 0.026 . 1 . . 174 . A 332 LYS N . 30808 1
510 . 1 . 1 48 48 GLY H H 1 8.155 0.007 . 1 . . 215 . A 333 GLY H . 30808 1
511 . 1 . 1 48 48 GLY HA2 H 1 4.001 0.009 . 2 . . 695 . A 333 GLY HA2 . 30808 1
512 . 1 . 1 48 48 GLY HA3 H 1 4.053 0.008 . 2 . . 696 . A 333 GLY HA3 . 30808 1
513 . 1 . 1 48 48 GLY CA C 13 44.633 0.073 . 1 . . 315 . A 333 GLY CA . 30808 1
514 . 1 . 1 48 48 GLY N N 15 109.848 0.007 . 1 . . 216 . A 333 GLY N . 30808 1
515 . 1 . 1 49 49 ASP H H 1 8.301 0.007 . 1 . . 241 . A 334 ASP H . 30808 1
516 . 1 . 1 49 49 ASP HA H 1 4.671 0.007 . 1 . . 697 . A 334 ASP HA . 30808 1
517 . 1 . 1 49 49 ASP HB2 H 1 2.561 0.005 . 2 . . 698 . A 334 ASP HB2 . 30808 1
518 . 1 . 1 49 49 ASP HB3 H 1 2.644 0.003 . 2 . . 699 . A 334 ASP HB3 . 30808 1
519 . 1 . 1 49 49 ASP CA C 13 54.713 0.063 . 1 . . 317 . A 334 ASP CA . 30808 1
520 . 1 . 1 49 49 ASP CB C 13 41.445 0.068 . 1 . . 316 . A 334 ASP CB . 30808 1
521 . 1 . 1 49 49 ASP N N 15 121.467 0.035 . 1 . . 242 . A 334 ASP N . 30808 1
522 . 1 . 1 50 50 TRP H H 1 9.249 0.014 . 1 . . 233 . A 335 TRP H . 30808 1
523 . 1 . 1 50 50 TRP HA H 1 4.462 0.008 . 1 . . 700 . A 335 TRP HA . 30808 1
524 . 1 . 1 50 50 TRP HB2 H 1 3.054 0.009 . 2 . . 790 . A 335 TRP HB2 . 30808 1
525 . 1 . 1 50 50 TRP HB3 H 1 3.226 0.008 . 2 . . 791 . A 335 TRP HB3 . 30808 1
526 . 1 . 1 50 50 TRP HE1 H 1 12.022 0.011 . 1 . . 927 . A 335 TRP HE1 . 30808 1
527 . 1 . 1 50 50 TRP HE3 H 1 7.264 0.006 . 1 . . 905 . A 335 TRP HE3 . 30808 1
528 . 1 . 1 50 50 TRP HZ2 H 1 7.190 0.005 . 1 . . 902 . A 335 TRP HZ2 . 30808 1
529 . 1 . 1 50 50 TRP HZ3 H 1 6.802 0.005 . 1 . . 907 . A 335 TRP HZ3 . 30808 1
530 . 1 . 1 50 50 TRP HH2 H 1 6.711 0.006 . 1 . . 904 . A 335 TRP HH2 . 30808 1
531 . 1 . 1 50 50 TRP CA C 13 59.946 0.027 . 1 . . 318 . A 335 TRP CA . 30808 1
532 . 1 . 1 50 50 TRP CB C 13 30.322 0.072 . 1 . . 529 . A 335 TRP CB . 30808 1
533 . 1 . 1 50 50 TRP CD1 C 13 125.920 . . 1 . . 879 . A 335 TRP CD1 . 30808 1
534 . 1 . 1 50 50 TRP CE3 C 13 121.271 0.072 . 1 . . 906 . A 335 TRP CE3 . 30808 1
535 . 1 . 1 50 50 TRP CZ2 C 13 114.886 0.026 . 1 . . 831 . A 335 TRP CZ2 . 30808 1
536 . 1 . 1 50 50 TRP CZ3 C 13 120.129 0.038 . 1 . . 908 . A 335 TRP CZ3 . 30808 1
537 . 1 . 1 50 50 TRP CH2 C 13 122.265 0.047 . 1 . . 903 . A 335 TRP CH2 . 30808 1
538 . 1 . 1 50 50 TRP N N 15 125.718 0.016 . 1 . . 234 . A 335 TRP N . 30808 1
539 . 1 . 1 50 50 TRP NE1 N 15 141.38 0.057 . 1 . . 926 . A 335 TRP NE1 . 30808 1
540 . 1 . 1 51 51 ARG H H 1 6.551 0.012 . 1 . . 133 . A 336 ARG H . 30808 1
541 . 1 . 1 51 51 ARG HA H 1 4.981 0.013 . 1 . . 701 . A 336 ARG HA . 30808 1
542 . 1 . 1 51 51 ARG HB2 H 1 1.227 0.006 . 2 . . 792 . A 336 ARG HB2 . 30808 1
543 . 1 . 1 51 51 ARG HB3 H 1 1.227 0.006 . 2 . . 793 . A 336 ARG HB3 . 30808 1
544 . 1 . 1 51 51 ARG HG2 H 1 1.363 0.005 . 2 . . 794 . A 336 ARG HG2 . 30808 1
545 . 1 . 1 51 51 ARG HG3 H 1 1.555 0.004 . 2 . . 795 . A 336 ARG HG3 . 30808 1
546 . 1 . 1 51 51 ARG HD2 H 1 3.003 0.007 . 2 . . 702 . A 336 ARG HD2 . 30808 1
547 . 1 . 1 51 51 ARG HD3 H 1 3.003 0.007 . 2 . . 703 . A 336 ARG HD3 . 30808 1
548 . 1 . 1 51 51 ARG CA C 13 52.706 0.078 . 1 . . 320 . A 336 ARG CA . 30808 1
549 . 1 . 1 51 51 ARG CB C 13 33.803 0.068 . 1 . . 319 . A 336 ARG CB . 30808 1
550 . 1 . 1 51 51 ARG CG C 13 27.825 0.074 . 1 . . 600 . A 336 ARG CG . 30808 1
551 . 1 . 1 51 51 ARG CD C 13 43.277 0.05 . 1 . . 599 . A 336 ARG CD . 30808 1
552 . 1 . 1 51 51 ARG N N 15 124.312 0.036 . 1 . . 134 . A 336 ARG N . 30808 1
553 . 1 . 1 52 52 CYS H H 1 9.208 0.013 . 1 . . 159 . A 337 CYS H . 30808 1
554 . 1 . 1 52 52 CYS HA H 1 3.749 0.004 . 1 . . 837 . A 337 CYS HA . 30808 1
555 . 1 . 1 52 52 CYS HB2 H 1 2.494 0.007 . 2 . . 839 . A 337 CYS HB2 . 30808 1
556 . 1 . 1 52 52 CYS HB3 H 1 3.215 0.007 . 2 . . 840 . A 337 CYS HB3 . 30808 1
557 . 1 . 1 52 52 CYS CA C 13 57.155 0.066 . 1 . . 836 . A 337 CYS CA . 30808 1
558 . 1 . 1 52 52 CYS CB C 13 29.549 0.067 . 1 . . 838 . A 337 CYS CB . 30808 1
559 . 1 . 1 52 52 CYS N N 15 126.476 0.046 . 1 . . 160 . A 337 CYS N . 30808 1
560 . 1 . 1 53 53 PRO HA H 1 4.095 0.003 . 1 . . 704 . A 338 PRO HA . 30808 1
561 . 1 . 1 53 53 PRO HB2 H 1 1.866 0.014 . 2 . . 796 . A 338 PRO HB2 . 30808 1
562 . 1 . 1 53 53 PRO HB3 H 1 2.399 0.005 . 2 . . 797 . A 338 PRO HB3 . 30808 1
563 . 1 . 1 53 53 PRO HG2 H 1 1.979 0.008 . 2 . . 798 . A 338 PRO HG2 . 30808 1
564 . 1 . 1 53 53 PRO HG3 H 1 1.980 0.008 . 2 . . 799 . A 338 PRO HG3 . 30808 1
565 . 1 . 1 53 53 PRO HD2 H 1 3.134 0.011 . 2 . . 800 . A 338 PRO HD2 . 30808 1
566 . 1 . 1 53 53 PRO HD3 H 1 3.376 0.007 . 2 . . 801 . A 338 PRO HD3 . 30808 1
567 . 1 . 1 53 53 PRO CA C 13 65.384 0.067 . 1 . . 601 . A 338 PRO CA . 30808 1
568 . 1 . 1 53 53 PRO CB C 13 32.214 0.058 . 1 . . 603 . A 338 PRO CB . 30808 1
569 . 1 . 1 53 53 PRO CG C 13 28.084 0.047 . 1 . . 604 . A 338 PRO CG . 30808 1
570 . 1 . 1 53 53 PRO CD C 13 49.925 0.047 . 1 . . 602 . A 338 PRO CD . 30808 1
571 . 1 . 1 54 54 LYS H H 1 8.076 0.012 . 1 . . 163 . A 339 LYS H . 30808 1
572 . 1 . 1 54 54 LYS HA H 1 4.164 0.004 . 1 . . 705 . A 339 LYS HA . 30808 1
573 . 1 . 1 54 54 LYS HB2 H 1 1.943 0.004 . 2 . . 802 . A 339 LYS HB2 . 30808 1
574 . 1 . 1 54 54 LYS HB3 H 1 1.943 0.004 . 2 . . 803 . A 339 LYS HB3 . 30808 1
575 . 1 . 1 54 54 LYS HG2 H 1 1.391 0.007 . 2 . . 804 . A 339 LYS HG2 . 30808 1
576 . 1 . 1 54 54 LYS HG3 H 1 1.579 0.006 . 2 . . 805 . A 339 LYS HG3 . 30808 1
577 . 1 . 1 54 54 LYS HD2 H 1 1.761 0.015 . 2 . . 806 . A 339 LYS HD2 . 30808 1
578 . 1 . 1 54 54 LYS HD3 H 1 1.786 0.014 . 2 . . 807 . A 339 LYS HD3 . 30808 1
579 . 1 . 1 54 54 LYS HE2 H 1 3.061 0.011 . 2 . . 808 . A 339 LYS HE2 . 30808 1
580 . 1 . 1 54 54 LYS HE3 H 1 3.077 0.01 . 2 . . 809 . A 339 LYS HE3 . 30808 1
581 . 1 . 1 54 54 LYS CA C 13 59.045 0.015 . 1 . . 321 . A 339 LYS CA . 30808 1
582 . 1 . 1 54 54 LYS CB C 13 32.903 0.021 . 1 . . 322 . A 339 LYS CB . 30808 1
583 . 1 . 1 54 54 LYS CG C 13 25.007 0.07 . 1 . . 605 . A 339 LYS CG . 30808 1
584 . 1 . 1 54 54 LYS CD C 13 29.131 0.067 . 1 . . 606 . A 339 LYS CD . 30808 1
585 . 1 . 1 54 54 LYS CE C 13 42.101 0.045 . 1 . . 607 . A 339 LYS CE . 30808 1
586 . 1 . 1 54 54 LYS N N 15 118.795 0.046 . 1 . . 164 . A 339 LYS N . 30808 1
587 . 1 . 1 55 55 CYS H H 1 8.166 0.009 . 1 . . 165 . A 340 CYS H . 30808 1
588 . 1 . 1 55 55 CYS HA H 1 3.950 0.002 . 1 . . 810 . A 340 CYS HA . 30808 1
589 . 1 . 1 55 55 CYS HB2 H 1 2.725 0.008 . 2 . . 811 . A 340 CYS HB2 . 30808 1
590 . 1 . 1 55 55 CYS HB3 H 1 2.838 0.006 . 2 . . 812 . A 340 CYS HB3 . 30808 1
591 . 1 . 1 55 55 CYS CA C 13 64.215 0.042 . 1 . . 323 . A 340 CYS CA . 30808 1
592 . 1 . 1 55 55 CYS CB C 13 29.361 0.054 . 1 . . 324 . A 340 CYS CB . 30808 1
593 . 1 . 1 55 55 CYS N N 15 122.838 0.025 . 1 . . 166 . A 340 CYS N . 30808 1
594 . 1 . 1 56 56 VAL H H 1 7.972 0.009 . 1 . . 247 . A 341 VAL H . 30808 1
595 . 1 . 1 56 56 VAL HA H 1 3.736 0.007 . 1 . . 706 . A 341 VAL HA . 30808 1
596 . 1 . 1 56 56 VAL HB H 1 1.904 0.005 . 1 . . 707 . A 341 VAL HB . 30808 1
597 . 1 . 1 56 56 VAL HG11 H 1 0.776 0.003 . 2 . . 813 . A 341 VAL HG11 . 30808 1
598 . 1 . 1 56 56 VAL HG12 H 1 0.776 0.003 . 2 . . 813 . A 341 VAL HG12 . 30808 1
599 . 1 . 1 56 56 VAL HG13 H 1 0.776 0.003 . 2 . . 813 . A 341 VAL HG13 . 30808 1
600 . 1 . 1 56 56 VAL HG21 H 1 0.776 0.003 . 2 . . 814 . A 341 VAL HG21 . 30808 1
601 . 1 . 1 56 56 VAL HG22 H 1 0.776 0.003 . 2 . . 814 . A 341 VAL HG22 . 30808 1
602 . 1 . 1 56 56 VAL HG23 H 1 0.776 0.003 . 2 . . 814 . A 341 VAL HG23 . 30808 1
603 . 1 . 1 56 56 VAL CA C 13 64.032 0.053 . 1 . . 325 . A 341 VAL CA . 30808 1
604 . 1 . 1 56 56 VAL CB C 13 31.881 0.065 . 1 . . 326 . A 341 VAL CB . 30808 1
605 . 1 . 1 56 56 VAL CG1 C 13 21.441 0.063 . 2 . . 608 . A 341 VAL CG1 . 30808 1
606 . 1 . 1 56 56 VAL CG2 C 13 21.416 0.056 . 2 . . 713 . A 341 VAL CG2 . 30808 1
607 . 1 . 1 56 56 VAL N N 15 118.379 0.047 . 1 . . 248 . A 341 VAL N . 30808 1
608 . 1 . 1 57 57 ALA H H 1 7.521 0.013 . 1 . . 249 . A 342 ALA H . 30808 1
609 . 1 . 1 57 57 ALA HA H 1 4.257 0.003 . 1 . . 708 . A 342 ALA HA . 30808 1
610 . 1 . 1 57 57 ALA HB1 H 1 1.431 0.005 . 1 . . 709 . A 342 ALA HB1 . 30808 1
611 . 1 . 1 57 57 ALA HB2 H 1 1.431 0.005 . 1 . . 709 . A 342 ALA HB2 . 30808 1
612 . 1 . 1 57 57 ALA HB3 H 1 1.431 0.005 . 1 . . 709 . A 342 ALA HB3 . 30808 1
613 . 1 . 1 57 57 ALA CA C 13 52.879 0.032 . 1 . . 327 . A 342 ALA CA . 30808 1
614 . 1 . 1 57 57 ALA CB C 13 19.089 0.019 . 1 . . 328 . A 342 ALA CB . 30808 1
615 . 1 . 1 57 57 ALA N N 15 123.303 0.057 . 1 . . 250 . A 342 ALA N . 30808 1
616 . 1 . 1 58 58 GLU H H 1 7.852 0.014 . 1 . . 153 . A 343 GLU H . 30808 1
617 . 1 . 1 58 58 GLU HA H 1 4.258 0.004 . 1 . . 710 . A 343 GLU HA . 30808 1
618 . 1 . 1 58 58 GLU HB2 H 1 1.936 0.003 . 2 . . 815 . A 343 GLU HB2 . 30808 1
619 . 1 . 1 58 58 GLU HB3 H 1 2.105 0.003 . 2 . . 816 . A 343 GLU HB3 . 30808 1
620 . 1 . 1 58 58 GLU HG2 H 1 2.253 0.005 . 2 . . 817 . A 343 GLU HG2 . 30808 1
621 . 1 . 1 58 58 GLU HG3 H 1 2.350 0.004 . 2 . . 818 . A 343 GLU HG3 . 30808 1
622 . 1 . 1 58 58 GLU CA C 13 56.438 0.066 . 1 . . 329 . A 343 GLU CA . 30808 1
623 . 1 . 1 58 58 GLU CB C 13 30.397 0.046 . 1 . . 819 . A 343 GLU CB . 30808 1
624 . 1 . 1 58 58 GLU CG C 13 36.372 0.059 . 1 . . 609 . A 343 GLU CG . 30808 1
625 . 1 . 1 58 58 GLU N N 15 119.214 0.055 . 1 . . 154 . A 343 GLU N . 30808 1
626 . 1 . 1 59 59 GLU H H 1 7.800 0.012 . 1 . . 239 . A 344 GLU H . 30808 1
627 . 1 . 1 59 59 GLU HA H 1 4.066 0.002 . 1 . . 842 . A 344 GLU HA . 30808 1
628 . 1 . 1 59 59 GLU HB2 H 1 1.912 0.008 . 2 . . 844 . A 344 GLU HB2 . 30808 1
629 . 1 . 1 59 59 GLU HB3 H 1 2.021 0.002 . 2 . . 845 . A 344 GLU HB3 . 30808 1
630 . 1 . 1 59 59 GLU HG2 H 1 2.229 0.005 . 1 . . 847 . A 344 GLU HG2 . 30808 1
631 . 1 . 1 59 59 GLU HG3 H 1 2.229 0.005 . 1 . . 848 . A 344 GLU HG3 . 30808 1
632 . 1 . 1 59 59 GLU CA C 13 58.349 0.075 . 1 . . 841 . A 344 GLU CA . 30808 1
633 . 1 . 1 59 59 GLU CB C 13 31.127 0.052 . 1 . . 843 . A 344 GLU CB . 30808 1
634 . 1 . 1 59 59 GLU CG C 13 36.779 0.058 . 1 . . 846 . A 344 GLU CG . 30808 1
635 . 1 . 1 59 59 GLU N N 15 126.630 0.04 . 1 . . 240 . A 344 GLU N . 30808 1
stop_
save_