Content for NMR-STAR saveframe, "assigned_chem_shift_list"
save_assigned_chem_shift_list
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list
_Assigned_chem_shift_list.Entry_ID 27645
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $CondSet1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details 'The atom 56 ILE CA at 62.703 ppm is also right.'
_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 '3D HNCO' 1 $18.PTPN3_PDZ_HPV16_13C15N_300uM_130515 isotropic 27645 1
2 '2D 1H-15N HSQC/HMQC' 1 $18.PTPN3_PDZ_HPV16_13C15N_300uM_130515 isotropic 27645 1
3 '3D HNCA' 1 $18.PTPN3_PDZ_HPV16_13C15N_300uM_130515 isotropic 27645 1
4 '3D HNCACB' 1 $18.PTPN3_PDZ_HPV16_13C15N_300uM_130515 isotropic 27645 1
5 '3D HN(CO)CA' 1 $18.PTPN3_PDZ_HPV16_13C15N_300uM_130515 isotropic 27645 1
6 'Expt_44 (H[N[co[{CA|ca[C]}]]])' 1 $18.PTPN3_PDZ_HPV16_13C15N_300uM_130515 isotropic 27645 1
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $CcpNmr_Analysis . . 27645 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 1 1 1 GLY C C 13 173.284 . . 1 . . 609 . . 1 GLY C . 27645 1
2 . 1 1 1 1 GLY CA C 13 45.582 . . 1 . . 354 . . 1 GLY CA . 27645 1
3 . 1 1 2 2 ASP H H 1 8.179 0.023 . 1 . . 248 . . 2 ASP H . 27645 1
4 . 1 1 2 2 ASP C C 13 176.178 . . 1 . . 610 . . 2 ASP C . 27645 1
5 . 1 1 2 2 ASP CA C 13 54.440 0.135 . 1 . . 356 . . 2 ASP CA . 27645 1
6 . 1 1 2 2 ASP CB C 13 41.679 0.022 . 1 . . 458 . . 2 ASP CB . 27645 1
7 . 1 1 2 2 ASP N N 15 119.249 0.01 . 1 . . 249 . . 2 ASP N . 27645 1
8 . 1 1 3 3 SER H H 1 8.364 0.019 . 1 . . 61 . . 3 SER H . 27645 1
9 . 1 1 3 3 SER C C 13 173.360 . . 1 . . 611 . . 3 SER C . 27645 1
10 . 1 1 3 3 SER CA C 13 58.054 0.057 . 1 . . 297 . . 3 SER CA . 27645 1
11 . 1 1 3 3 SER CB C 13 64.817 0.031 . 1 . . 457 . . 3 SER CB . 27645 1
12 . 1 1 3 3 SER N N 15 115.722 0.054 . 1 . . 62 . . 3 SER N . 27645 1
13 . 1 1 4 4 TYR H H 1 8.800 0.005 . 1 . . 15 . . 4 TYR H . 27645 1
14 . 1 1 4 4 TYR C C 13 172.812 . . 1 . . 612 . . 4 TYR C . 27645 1
15 . 1 1 4 4 TYR CA C 13 56.095 0.086 . 1 . . 266 . . 4 TYR CA . 27645 1
16 . 1 1 4 4 TYR CB C 13 39.940 0.004 . 1 . . 426 . . 4 TYR CB . 27645 1
17 . 1 1 4 4 TYR N N 15 118.960 0.097 . 1 . . 16 . . 4 TYR N . 27645 1
18 . 1 1 5 5 LEU H H 1 8.270 0.003 . 1 . . 154 . . 5 LEU H . 27645 1
19 . 1 1 5 5 LEU C C 13 178.062 . . 1 . . 613 . . 5 LEU C . 27645 1
20 . 1 1 5 5 LEU CA C 13 53.325 0.053 . 1 . . 371 . . 5 LEU CA . 27645 1
21 . 1 1 5 5 LEU CB C 13 43.580 0.013 . 1 . . 512 . . 5 LEU CB . 27645 1
22 . 1 1 5 5 LEU N N 15 119.073 0.024 . 1 . . 155 . . 5 LEU N . 27645 1
23 . 1 1 6 6 VAL H H 1 9.027 0.005 . 1 . . 166 . . 6 VAL H . 27645 1
24 . 1 1 6 6 VAL C C 13 173.403 . . 1 . . 614 . . 6 VAL C . 27645 1
25 . 1 1 6 6 VAL CA C 13 61.368 0.023 . 1 . . 379 . . 6 VAL CA . 27645 1
26 . 1 1 6 6 VAL CB C 13 35.441 0.049 . 1 . . 518 . . 6 VAL CB . 27645 1
27 . 1 1 6 6 VAL N N 15 122.068 0.011 . 1 . . 167 . . 6 VAL N . 27645 1
28 . 1 1 7 7 LEU H H 1 8.221 0.004 . 1 . . 33 . . 7 LEU H . 27645 1
29 . 1 1 7 7 LEU C C 13 175.244 . . 1 . . 615 . . 7 LEU C . 27645 1
30 . 1 1 7 7 LEU CA C 13 54.751 0.045 . 1 . . 278 . . 7 LEU CA . 27645 1
31 . 1 1 7 7 LEU CB C 13 42.430 0.034 . 1 . . 439 . . 7 LEU CB . 27645 1
32 . 1 1 7 7 LEU N N 15 128.663 0.012 . 1 . . 34 . . 7 LEU N . 27645 1
33 . 1 1 8 8 ILE H H 1 9.340 0.003 . 1 . . 17 . . 8 ILE H . 27645 1
34 . 1 1 8 8 ILE C C 13 174.268 . . 1 . . 616 . . 8 ILE C . 27645 1
35 . 1 1 8 8 ILE CA C 13 59.823 0.031 . 1 . . 268 . . 8 ILE CA . 27645 1
36 . 1 1 8 8 ILE CB C 13 41.050 0.033 . 1 . . 428 . . 8 ILE CB . 27645 1
37 . 1 1 8 8 ILE N N 15 129.771 0.019 . 1 . . 18 . . 8 ILE N . 27645 1
38 . 1 1 9 9 ARG H H 1 8.534 0.003 . 1 . . 89 . . 9 ARG H . 27645 1
39 . 1 1 9 9 ARG C C 13 175.815 . . 1 . . 617 . . 9 ARG C . 27645 1
40 . 1 1 9 9 ARG CA C 13 54.684 0.089 . 1 . . 319 . . 9 ARG CA . 27645 1
41 . 1 1 9 9 ARG CB C 13 32.654 0.029 . 1 . . 471 . . 9 ARG CB . 27645 1
42 . 1 1 9 9 ARG N N 15 126.649 0.016 . 1 . . 90 . . 9 ARG N . 27645 1
43 . 1 1 10 10 ILE H H 1 9.110 0.004 . 1 . . 148 . . 10 ILE H . 27645 1
44 . 1 1 10 10 ILE C C 13 174.672 . . 1 . . 618 . . 10 ILE C . 27645 1
45 . 1 1 10 10 ILE CA C 13 60.705 0.033 . 1 . . 368 . . 10 ILE CA . 27645 1
46 . 1 1 10 10 ILE CB C 13 42.010 0.026 . 1 . . 508 . . 10 ILE CB . 27645 1
47 . 1 1 10 10 ILE N N 15 122.122 0.025 . 1 . . 149 . . 10 ILE N . 27645 1
48 . 1 1 11 11 THR H H 1 8.774 0.003 . 1 . . 11 . . 11 THR H . 27645 1
49 . 1 1 11 11 THR CA C 13 59.511 . . 1 . . 262 . . 11 THR CA . 27645 1
50 . 1 1 11 11 THR CB C 13 70.267 . . 1 . . 424 . . 11 THR CB . 27645 1
51 . 1 1 11 11 THR N N 15 124.960 0.009 . 1 . . 12 . . 11 THR N . 27645 1
52 . 1 1 12 12 PRO C C 13 176.223 . . 1 . . 619 . . 12 PRO C . 27645 1
53 . 1 1 12 12 PRO CA C 13 62.227 0.001 . 1 . . 296 . . 12 PRO CA . 27645 1
54 . 1 1 12 12 PRO CB C 13 30.865 . . 1 . . 456 . . 12 PRO CB . 27645 1
55 . 1 1 13 13 ASP H H 1 8.475 0.002 . 1 . . 59 . . 13 ASP H . 27645 1
56 . 1 1 13 13 ASP C C 13 178.453 . . 1 . . 620 . . 13 ASP C . 27645 1
57 . 1 1 13 13 ASP CA C 13 52.804 0.011 . 1 . . 295 . . 13 ASP CA . 27645 1
58 . 1 1 13 13 ASP CB C 13 41.033 0.004 . 1 . . 455 . . 13 ASP CB . 27645 1
59 . 1 1 13 13 ASP N N 15 118.173 0.012 . 1 . . 60 . . 13 ASP N . 27645 1
60 . 1 1 14 14 GLU H H 1 8.807 0.005 . 1 . . 97 . . 14 GLU H . 27645 1
61 . 1 1 14 14 GLU CA C 13 58.911 0.072 . 1 . . 326 . . 14 GLU CA . 27645 1
62 . 1 1 14 14 GLU CB C 13 29.047 0.086 . 1 . . 476 . . 14 GLU CB . 27645 1
63 . 1 1 14 14 GLU N N 15 117.465 0.012 . 1 . . 98 . . 14 GLU N . 27645 1
64 . 1 1 15 15 ASP H H 1 8.124 0.009 . 1 . . 351 . . 15 ASP H . 27645 1
65 . 1 1 15 15 ASP C C 13 176.251 . . 1 . . 621 . . 15 ASP C . 27645 1
66 . 1 1 15 15 ASP CA C 13 54.007 0.028 . 1 . . 588 . . 15 ASP CA . 27645 1
67 . 1 1 15 15 ASP CB C 13 41.664 0.088 . 1 . . 496 . . 15 ASP CB . 27645 1
68 . 1 1 15 15 ASP N N 15 119.245 0.0 . 1 . . 353 . . 15 ASP N . 27645 1
69 . 1 1 16 16 GLY H H 1 8.301 0.008 . 1 . . 117 . . 16 GLY H . 27645 1
70 . 1 1 16 16 GLY C C 13 173.287 . . 1 . . 622 . . 16 GLY C . 27645 1
71 . 1 1 16 16 GLY CA C 13 45.579 0.005 . 1 . . 547 . . 16 GLY CA . 27645 1
72 . 1 1 16 16 GLY N N 15 109.004 0.036 . 1 . . 118 . . 16 GLY N . 27645 1
73 . 1 1 17 17 LYS H H 1 8.182 0.002 . 1 . . 77 . . 17 LYS H . 27645 1
74 . 1 1 17 17 LYS C C 13 175.869 . . 1 . . 623 . . 17 LYS C . 27645 1
75 . 1 1 17 17 LYS CA C 13 54.525 0.082 . 1 . . 310 . . 17 LYS CA . 27645 1
76 . 1 1 17 17 LYS N N 15 120.178 0.022 . 1 . . 78 . . 17 LYS N . 27645 1
77 . 1 1 18 18 PHE H H 1 11.398 0.006 . 1 . . 170 . . 18 PHE H . 27645 1
78 . 1 1 18 18 PHE C C 13 176.154 . . 1 . . 624 . . 18 PHE C . 27645 1
79 . 1 1 18 18 PHE CA C 13 60.278 0.031 . 1 . . 313 . . 18 PHE CA . 27645 1
80 . 1 1 18 18 PHE CB C 13 42.319 . . 1 . . 586 . . 18 PHE CB . 27645 1
81 . 1 1 18 18 PHE N N 15 121.976 0.019 . 1 . . 171 . . 18 PHE N . 27645 1
82 . 1 1 19 19 GLY H H 1 9.544 0.007 . 1 . . 79 . . 19 GLY H . 27645 1
83 . 1 1 19 19 GLY C C 13 173.606 . . 1 . . 625 . . 19 GLY C . 27645 1
84 . 1 1 19 19 GLY CA C 13 45.493 0.014 . 1 . . 312 . . 19 GLY CA . 27645 1
85 . 1 1 19 19 GLY N N 15 106.716 0.023 . 1 . . 80 . . 19 GLY N . 27645 1
86 . 1 1 20 20 PHE H H 1 7.326 0.004 . 1 . . 152 . . 20 PHE H . 27645 1
87 . 1 1 20 20 PHE C C 13 171.550 . . 1 . . 626 . . 20 PHE C . 27645 1
88 . 1 1 20 20 PHE CA C 13 54.492 0.101 . 1 . . 569 . . 20 PHE CA . 27645 1
89 . 1 1 20 20 PHE CB C 13 42.707 0.046 . 1 . . 526 . . 20 PHE CB . 27645 1
90 . 1 1 20 20 PHE N N 15 113.988 0.026 . 1 . . 153 . . 20 PHE N . 27645 1
91 . 1 1 21 21 ASN H H 1 8.656 0.009 . 1 . . 182 . . 21 ASN H . 27645 1
92 . 1 1 21 21 ASN C C 13 174.764 . . 1 . . 627 . . 21 ASN C . 27645 1
93 . 1 1 21 21 ASN CA C 13 50.402 0.14 . 1 . . 387 . . 21 ASN CA . 27645 1
94 . 1 1 21 21 ASN CB C 13 40.311 0.026 . 1 . . 525 . . 21 ASN CB . 27645 1
95 . 1 1 21 21 ASN N N 15 117.901 0.041 . 1 . . 183 . . 21 ASN N . 27645 1
96 . 1 1 22 22 LEU H H 1 8.825 0.009 . 1 . . 192 . . 22 LEU H . 27645 1
97 . 1 1 22 22 LEU C C 13 175.582 . . 1 . . 628 . . 22 LEU C . 27645 1
98 . 1 1 22 22 LEU CA C 13 53.314 0.003 . 1 . . 393 . . 22 LEU CA . 27645 1
99 . 1 1 22 22 LEU CB C 13 47.981 . . 1 . . 531 . . 22 LEU CB . 27645 1
100 . 1 1 22 22 LEU N N 15 121.558 0.046 . 1 . . 193 . . 22 LEU N . 27645 1
101 . 1 1 23 23 LYS H H 1 8.963 0.005 . 1 . . 95 . . 23 LYS H . 27645 1
102 . 1 1 23 23 LYS C C 13 175.245 . . 1 . . 629 . . 23 LYS C . 27645 1
103 . 1 1 23 23 LYS CA C 13 55.388 0.104 . 1 . . 324 . . 23 LYS CA . 27645 1
104 . 1 1 23 23 LYS CB C 13 37.630 . . 1 . . 475 . . 23 LYS CB . 27645 1
105 . 1 1 23 23 LYS N N 15 122.958 0.026 . 1 . . 96 . . 23 LYS N . 27645 1
106 . 1 1 24 24 GLY H H 1 8.647 0.015 . 1 . . 87 . . 24 GLY H . 27645 1
107 . 1 1 24 24 GLY C C 13 173.892 . . 1 . . 630 . . 24 GLY C . 27645 1
108 . 1 1 24 24 GLY CA C 13 45.127 0.01 . 1 . . 549 . . 24 GLY CA . 27645 1
109 . 1 1 24 24 GLY N N 15 105.588 0.018 . 1 . . 88 . . 24 GLY N . 27645 1
110 . 1 1 25 25 GLY H H 1 7.728 0.007 . 1 . . 113 . . 25 GLY H . 27645 1
111 . 1 1 25 25 GLY C C 13 176.799 . . 1 . . 631 . . 25 GLY C . 27645 1
112 . 1 1 25 25 GLY CA C 13 43.375 0.05 . 1 . . 487 . . 25 GLY CA . 27645 1
113 . 1 1 25 25 GLY N N 15 103.536 0.009 . 1 . . 114 . . 25 GLY N . 27645 1
114 . 1 1 26 26 VAL H H 1 8.120 0.001 . 1 . . 236 . . 26 VAL H . 27645 1
115 . 1 1 26 26 VAL C C 13 178.281 . . 1 . . 632 . . 26 VAL C . 27645 1
116 . 1 1 26 26 VAL CA C 13 66.153 0.002 . 1 . . 411 . . 26 VAL CA . 27645 1
117 . 1 1 26 26 VAL N N 15 118.537 0.0 . 1 . . 237 . . 26 VAL N . 27645 1
118 . 1 1 27 27 ASP H H 1 10.080 0.005 . 1 . . 71 . . 27 ASP H . 27645 1
119 . 1 1 27 27 ASP C C 13 176.610 . . 1 . . 633 . . 27 ASP C . 27645 1
120 . 1 1 27 27 ASP CA C 13 54.884 0.11 . 1 . . 304 . . 27 ASP CA . 27645 1
121 . 1 1 27 27 ASP CB C 13 38.885 0.0 . 1 . . 462 . . 27 ASP CB . 27645 1
122 . 1 1 27 27 ASP N N 15 118.028 0.027 . 1 . . 72 . . 27 ASP N . 27645 1
123 . 1 1 28 28 GLN H H 1 7.396 0.009 . 1 . . 109 . . 28 GLN H . 27645 1
124 . 1 1 28 28 GLN C C 13 174.376 . . 1 . . 634 . . 28 GLN C . 27645 1
125 . 1 1 28 28 GLN CA C 13 54.574 0.148 . 1 . . 332 . . 28 GLN CA . 27645 1
126 . 1 1 28 28 GLN CB C 13 29.848 . . 1 . . 483 . . 28 GLN CB . 27645 1
127 . 1 1 28 28 GLN N N 15 117.479 0.011 . 1 . . 110 . . 28 GLN N . 27645 1
128 . 1 1 29 29 LYS H H 1 7.788 0.009 . 1 . . 13 . . 29 LYS H . 27645 1
129 . 1 1 29 29 LYS C C 13 174.797 . . 1 . . 635 . . 29 LYS C . 27645 1
130 . 1 1 29 29 LYS CA C 13 57.014 0.062 . 1 . . 265 . . 29 LYS CA . 27645 1
131 . 1 1 29 29 LYS CB C 13 29.347 0.029 . 1 . . 425 . . 29 LYS CB . 27645 1
132 . 1 1 29 29 LYS N N 15 113.873 0.011 . 1 . . 14 . . 29 LYS N . 27645 1
133 . 1 1 30 30 MET H H 1 7.274 0.003 . 1 . . 142 . . 30 MET H . 27645 1
134 . 1 1 30 30 MET CA C 13 53.363 . . 1 . . 590 . . 30 MET CA . 27645 1
135 . 1 1 30 30 MET CB C 13 35.973 . . 1 . . 502 . . 30 MET CB . 27645 1
136 . 1 1 30 30 MET N N 15 114.645 0.009 . 1 . . 143 . . 30 MET N . 27645 1
137 . 1 1 31 31 PRO C C 13 174.432 . . 1 . . 636 . . 31 PRO C . 27645 1
138 . 1 1 31 31 PRO CA C 13 62.296 . . 1 . . 392 . . 31 PRO CA . 27645 1
139 . 1 1 31 31 PRO CB C 13 41.722 0.033 . 1 . . 529 . . 31 PRO CB . 27645 1
140 . 1 1 32 32 LEU H H 1 8.364 0.005 . 1 . . 186 . . 32 LEU H . 27645 1
141 . 1 1 32 32 LEU C C 13 176.341 . . 1 . . 637 . . 32 LEU C . 27645 1
142 . 1 1 32 32 LEU CA C 13 54.527 0.103 . 1 . . 572 . . 32 LEU CA . 27645 1
143 . 1 1 32 32 LEU CB C 13 42.728 0.012 . 1 . . 535 . . 32 LEU CB . 27645 1
144 . 1 1 32 32 LEU N N 15 121.785 0.013 . 1 . . 187 . . 32 LEU N . 27645 1
145 . 1 1 33 33 VAL H H 1 8.824 0.004 . 1 . . 196 . . 33 VAL H . 27645 1
146 . 1 1 33 33 VAL C C 13 174.364 . . 1 . . 638 . . 33 VAL C . 27645 1
147 . 1 1 33 33 VAL CA C 13 59.302 0.043 . 1 . . 397 . . 33 VAL CA . 27645 1
148 . 1 1 33 33 VAL CB C 13 36.765 0.004 . 1 . . 534 . . 33 VAL CB . 27645 1
149 . 1 1 33 33 VAL N N 15 123.479 0.013 . 1 . . 197 . . 33 VAL N . 27645 1
150 . 1 1 34 34 VAL H H 1 8.349 0.003 . 1 . . 27 . . 34 VAL H . 27645 1
151 . 1 1 34 34 VAL C C 13 176.430 . . 1 . . 639 . . 34 VAL C . 27645 1
152 . 1 1 34 34 VAL CA C 13 61.910 0.014 . 1 . . 272 . . 34 VAL CA . 27645 1
153 . 1 1 34 34 VAL CB C 13 31.663 . . 1 . . 435 . . 34 VAL CB . 27645 1
154 . 1 1 34 34 VAL N N 15 123.771 0.005 . 1 . . 28 . . 34 VAL N . 27645 1
155 . 1 1 35 35 SER H H 1 9.006 0.003 . 1 . . 164 . . 35 SER H . 27645 1
156 . 1 1 35 35 SER C C 13 174.845 . . 1 . . 640 . . 35 SER C . 27645 1
157 . 1 1 35 35 SER CA C 13 58.942 0.044 . 1 . . 377 . . 35 SER CA . 27645 1
158 . 1 1 35 35 SER CB C 13 64.402 0.07 . 1 . . 517 . . 35 SER CB . 27645 1
159 . 1 1 35 35 SER N N 15 125.333 0.015 . 1 . . 165 . . 35 SER N . 27645 1
160 . 1 1 36 36 ARG H H 1 7.386 0.004 . 1 . . 53 . . 36 ARG H . 27645 1
161 . 1 1 36 36 ARG C C 13 173.841 . . 1 . . 641 . . 36 ARG C . 27645 1
162 . 1 1 36 36 ARG CA C 13 56.363 0.068 . 1 . . 289 . . 36 ARG CA . 27645 1
163 . 1 1 36 36 ARG CB C 13 34.029 0.039 . 1 . . 453 . . 36 ARG CB . 27645 1
164 . 1 1 36 36 ARG N N 15 120.507 0.019 . 1 . . 54 . . 36 ARG N . 27645 1
165 . 1 1 37 37 ILE H H 1 9.102 0.003 . 1 . . 128 . . 37 ILE H . 27645 1
166 . 1 1 37 37 ILE C C 13 175.594 . . 1 . . 642 . . 37 ILE C . 27645 1
167 . 1 1 37 37 ILE CA C 13 59.713 0.042 . 1 . . 344 . . 37 ILE CA . 27645 1
168 . 1 1 37 37 ILE CB C 13 39.833 0.054 . 1 . . 493 . . 37 ILE CB . 27645 1
169 . 1 1 37 37 ILE N N 15 125.525 0.014 . 1 . . 129 . . 37 ILE N . 27645 1
170 . 1 1 38 38 ASN H H 1 9.022 0.004 . 1 . . 111 . . 38 ASN H . 27645 1
171 . 1 1 38 38 ASN CA C 13 51.100 . . 1 . . 333 . . 38 ASN CA . 27645 1
172 . 1 1 38 38 ASN CB C 13 37.468 0.0 . 1 . . 485 . . 38 ASN CB . 27645 1
173 . 1 1 38 38 ASN N N 15 128.504 0.01 . 1 . . 112 . . 38 ASN N . 27645 1
174 . 1 1 39 39 PRO C C 13 177.231 . . 1 . . 643 . . 39 PRO C . 27645 1
175 . 1 1 39 39 PRO CA C 13 63.681 0.013 . 1 . . 361 . . 39 PRO CA . 27645 1
176 . 1 1 39 39 PRO CB C 13 32.100 . . 1 . . 500 . . 39 PRO CB . 27645 1
177 . 1 1 40 40 GLU H H 1 10.270 0.004 . 1 . . 138 . . 40 GLU H . 27645 1
178 . 1 1 40 40 GLU C C 13 174.478 . . 1 . . 644 . . 40 GLU C . 27645 1
179 . 1 1 40 40 GLU CA C 13 58.260 0.052 . 1 . . 360 . . 40 GLU CA . 27645 1
180 . 1 1 40 40 GLU CB C 13 26.848 0.023 . 1 . . 501 . . 40 GLU CB . 27645 1
181 . 1 1 40 40 GLU N N 15 117.280 0.028 . 1 . . 139 . . 40 GLU N . 27645 1
182 . 1 1 41 41 SER H H 1 7.636 0.031 . 1 . . 150 . . 41 SER H . 27645 1
183 . 1 1 41 41 SER CB C 13 63.175 . . 1 . . 510 . . 41 SER CB . 27645 1
184 . 1 1 41 41 SER N N 15 117.032 0.085 . 1 . . 151 . . 41 SER N . 27645 1
185 . 1 1 42 42 PRO C C 13 178.759 . . 1 . . 645 . . 42 PRO C . 27645 1
186 . 1 1 42 42 PRO CA C 13 66.536 0.075 . 1 . . 341 . . 42 PRO CA . 27645 1
187 . 1 1 43 43 ALA H H 1 8.179 0.002 . 1 . . 125 . . 43 ALA H . 27645 1
188 . 1 1 43 43 ALA C C 13 174.793 . . 1 . . 646 . . 43 ALA C . 27645 1
189 . 1 1 43 43 ALA CA C 13 54.425 0.089 . 1 . . 340 . . 43 ALA CA . 27645 1
190 . 1 1 43 43 ALA CB C 13 19.692 0.0 . 1 . . 491 . . 43 ALA CB . 27645 1
191 . 1 1 43 43 ALA N N 15 117.310 0.026 . 1 . . 126 . . 43 ALA N . 27645 1
192 . 1 1 44 44 ASP H H 1 7.715 0.005 . 1 . . 162 . . 44 ASP H . 27645 1
193 . 1 1 44 44 ASP C C 13 177.119 . . 1 . . 647 . . 44 ASP C . 27645 1
194 . 1 1 44 44 ASP CA C 13 54.181 0.117 . 1 . . 551 . . 44 ASP CA . 27645 1
195 . 1 1 44 44 ASP CB C 13 45.252 0.023 . 1 . . 584 . . 44 ASP CB . 27645 1
196 . 1 1 44 44 ASP N N 15 113.799 0.002 . 1 . . 163 . . 44 ASP N . 27645 1
197 . 1 1 45 45 THR H H 1 7.718 0.004 . 1 . . 73 . . 45 THR H . 27645 1
198 . 1 1 45 45 THR C C 13 174.709 . . 1 . . 648 . . 45 THR C . 27645 1
199 . 1 1 45 45 THR CA C 13 61.459 0.032 . 1 . . 306 . . 45 THR CA . 27645 1
200 . 1 1 45 45 THR CB C 13 70.449 0.093 . 1 . . 463 . . 45 THR CB . 27645 1
201 . 1 1 45 45 THR N N 15 105.661 0.026 . 1 . . 74 . . 45 THR N . 27645 1
202 . 1 1 46 46 CYS H H 1 7.628 0.004 . 1 . . 194 . . 46 CYS H . 27645 1
203 . 1 1 46 46 CYS C C 13 172.219 . . 1 . . 649 . . 46 CYS C . 27645 1
204 . 1 1 46 46 CYS CA C 13 56.260 0.077 . 1 . . 395 . . 46 CYS CA . 27645 1
205 . 1 1 46 46 CYS CB C 13 28.766 0.026 . 1 . . 532 . . 46 CYS CB . 27645 1
206 . 1 1 46 46 CYS N N 15 121.577 0.003 . 1 . . 195 . . 46 CYS N . 27645 1
207 . 1 1 47 47 ILE H H 1 8.136 0.028 . 1 . . 449 . . 47 ILE H . 27645 1
208 . 1 1 47 47 ILE CA C 13 58.130 . . 1 . . 342 . . 47 ILE CA . 27645 1
209 . 1 1 47 47 ILE CB C 13 41.569 . . 1 . . 450 . . 47 ILE CB . 27645 1
210 . 1 1 47 47 ILE N N 15 118.476 0.095 . 1 . . 127 . . 47 ILE N . 27645 1
211 . 1 1 48 48 PRO C C 13 174.871 . . 1 . . 650 . . 48 PRO C . 27645 1
212 . 1 1 48 48 PRO CA C 13 63.040 0.005 . 1 . . 367 . . 48 PRO CA . 27645 1
213 . 1 1 48 48 PRO CB C 13 34.487 . . 1 . . 506 . . 48 PRO CB . 27645 1
214 . 1 1 49 49 LYS H H 1 8.039 0.004 . 1 . . 146 . . 49 LYS H . 27645 1
215 . 1 1 49 49 LYS C C 13 176.717 . . 1 . . 651 . . 49 LYS C . 27645 1
216 . 1 1 49 49 LYS CA C 13 56.822 0.067 . 1 . . 366 . . 49 LYS CA . 27645 1
217 . 1 1 49 49 LYS CB C 13 33.255 0.019 . 1 . . 507 . . 49 LYS CB . 27645 1
218 . 1 1 49 49 LYS N N 15 119.241 0.005 . 1 . . 147 . . 49 LYS N . 27645 1
219 . 1 1 50 50 LEU H H 1 7.423 0.004 . 1 . . 85 . . 50 LEU H . 27645 1
220 . 1 1 50 50 LEU C C 13 174.125 . . 1 . . 652 . . 50 LEU C . 27645 1
221 . 1 1 50 50 LEU CA C 13 54.432 0.071 . 1 . . 316 . . 50 LEU CA . 27645 1
222 . 1 1 50 50 LEU CB C 13 44.381 0.048 . 1 . . 469 . . 50 LEU CB . 27645 1
223 . 1 1 50 50 LEU N N 15 124.317 0.016 . 1 . . 86 . . 50 LEU N . 27645 1
224 . 1 1 51 51 ASN H H 1 8.746 0.006 . 1 . . 67 . . 51 ASN H . 27645 1
225 . 1 1 51 51 ASN C C 13 175.073 . . 1 . . 653 . . 51 ASN C . 27645 1
226 . 1 1 51 51 ASN CA C 13 51.116 0.009 . 1 . . 300 . . 51 ASN CA . 27645 1
227 . 1 1 51 51 ASN CB C 13 41.117 0.007 . 1 . . 460 . . 51 ASN CB . 27645 1
228 . 1 1 51 51 ASN N N 15 123.150 0.013 . 1 . . 68 . . 51 ASN N . 27645 1
229 . 1 1 52 52 GLU H H 1 8.777 0.003 . 1 . . 204 . . 52 GLU H . 27645 1
230 . 1 1 52 52 GLU C C 13 177.917 . . 1 . . 654 . . 52 GLU C . 27645 1
231 . 1 1 52 52 GLU CA C 13 58.453 0.048 . 1 . . 401 . . 52 GLU CA . 27645 1
232 . 1 1 52 52 GLU CB C 13 28.812 0.024 . 1 . . 538 . . 52 GLU CB . 27645 1
233 . 1 1 52 52 GLU N N 15 121.489 0.027 . 1 . . 205 . . 52 GLU N . 27645 1
234 . 1 1 53 53 GLY H H 1 9.404 0.002 . 1 . . 91 . . 53 GLY H . 27645 1
235 . 1 1 53 53 GLY C C 13 174.191 . . 1 . . 655 . . 53 GLY C . 27645 1
236 . 1 1 53 53 GLY CA C 13 44.808 0.059 . 1 . . 320 . . 53 GLY CA . 27645 1
237 . 1 1 53 53 GLY N N 15 114.781 0.015 . 1 . . 92 . . 53 GLY N . 27645 1
238 . 1 1 54 54 ASP H H 1 7.765 0.002 . 1 . . 144 . . 54 ASP H . 27645 1
239 . 1 1 54 54 ASP CA C 13 56.026 0.007 . 1 . . 365 . . 54 ASP CA . 27645 1
240 . 1 1 54 54 ASP CB C 13 41.095 0.008 . 1 . . 504 . . 54 ASP CB . 27645 1
241 . 1 1 54 54 ASP N N 15 123.122 0.014 . 1 . . 145 . . 54 ASP N . 27645 1
242 . 1 1 55 55 GLN H H 1 8.195 0.002 . 1 . . 234 . . 55 GLN H . 27645 1
243 . 1 1 55 55 GLN C C 13 176.371 . . 1 . . 656 . . 55 GLN C . 27645 1
244 . 1 1 55 55 GLN CA C 13 53.823 0.034 . 1 . . 409 . . 55 GLN CA . 27645 1
245 . 1 1 55 55 GLN N N 15 120.872 0.0 . 1 . . 235 . . 55 GLN N . 27645 1
246 . 1 1 56 56 ILE H H 1 8.217 0.026 . 1 . . 101 . . 56 ILE H . 27645 1
247 . 1 1 56 56 ILE C C 13 174.229 . . 1 . . 657 . . 56 ILE C . 27645 1
248 . 1 1 56 56 ILE CA C 13 62.715 . . 1 . . 330 . . 56 ILE CA . 27645 1
249 . 1 1 56 56 ILE CB C 13 38.084 . . 1 . . 480 . . 56 ILE CB . 27645 1
250 . 1 1 56 56 ILE N N 15 125.680 0.066 . 1 . . 102 . . 56 ILE N . 27645 1
251 . 1 1 57 57 VAL H H 1 9.066 0.002 . 1 . . 158 . . 57 VAL H . 27645 1
252 . 1 1 57 57 VAL C C 13 175.730 . . 1 . . 658 . . 57 VAL C . 27645 1
253 . 1 1 57 57 VAL CA C 13 63.821 0.03 . 1 . . 373 . . 57 VAL CA . 27645 1
254 . 1 1 57 57 VAL N N 15 125.695 0.021 . 1 . . 159 . . 57 VAL N . 27645 1
255 . 1 1 58 58 LEU H H 1 7.719 0.003 . 1 . . 23 . . 58 LEU H . 27645 1
256 . 1 1 58 58 LEU C C 13 176.477 . . 1 . . 659 . . 58 LEU C . 27645 1
257 . 1 1 58 58 LEU CA C 13 53.805 . . 1 . . 270 . . 58 LEU CA . 27645 1
258 . 1 1 58 58 LEU CB C 13 46.845 0.017 . 1 . . 430 . . 58 LEU CB . 27645 1
259 . 1 1 58 58 LEU N N 15 116.753 0.021 . 1 . . 24 . . 58 LEU N . 27645 1
260 . 1 1 59 59 ILE H H 1 8.117 0.007 . 1 . . 5 . . 59 ILE H . 27645 1
261 . 1 1 59 59 ILE C C 13 175.306 . . 1 . . 660 . . 59 ILE C . 27645 1
262 . 1 1 59 59 ILE CA C 13 60.668 0.027 . 1 . . 257 . . 59 ILE CA . 27645 1
263 . 1 1 59 59 ILE CB C 13 39.876 0.048 . 1 . . 418 . . 59 ILE CB . 27645 1
264 . 1 1 59 59 ILE N N 15 116.905 0.015 . 1 . . 6 . . 59 ILE N . 27645 1
265 . 1 1 60 60 ASN H H 1 10.087 0.007 . 1 . . 134 . . 60 ASN H . 27645 1
266 . 1 1 60 60 ASN C C 13 175.808 . . 1 . . 661 . . 60 ASN C . 27645 1
267 . 1 1 60 60 ASN CA C 13 54.466 0.038 . 1 . . 357 . . 60 ASN CA . 27645 1
268 . 1 1 60 60 ASN CB C 13 36.644 0.027 . 1 . . 498 . . 60 ASN CB . 27645 1
269 . 1 1 60 60 ASN N N 15 129.695 0.02 . 1 . . 135 . . 60 ASN N . 27645 1
270 . 1 1 61 61 GLY H H 1 9.341 0.002 . 1 . . 99 . . 61 GLY H . 27645 1
271 . 1 1 61 61 GLY C C 13 173.030 . . 1 . . 662 . . 61 GLY C . 27645 1
272 . 1 1 61 61 GLY CA C 13 44.811 0.0 . 1 . . 582 . . 61 GLY CA . 27645 1
273 . 1 1 61 61 GLY N N 15 103.525 0.031 . 1 . . 100 . . 61 GLY N . 27645 1
274 . 1 1 62 62 ARG H H 1 8.209 0.003 . 1 . . 107 . . 62 ARG H . 27645 1
275 . 1 1 62 62 ARG C C 13 175.364 . . 1 . . 663 . . 62 ARG C . 27645 1
276 . 1 1 62 62 ARG CA C 13 54.884 0.08 . 1 . . 375 . . 62 ARG CA . 27645 1
277 . 1 1 62 62 ARG CB C 13 32.046 0.019 . 1 . . 482 . . 62 ARG CB . 27645 1
278 . 1 1 62 62 ARG N N 15 122.641 0.004 . 1 . . 108 . . 62 ARG N . 27645 1
279 . 1 1 63 63 ASP H H 1 8.788 0.005 . 1 . . 160 . . 63 ASP H . 27645 1
280 . 1 1 63 63 ASP C C 13 177.695 . . 1 . . 664 . . 63 ASP C . 27645 1
281 . 1 1 63 63 ASP CA C 13 54.734 0.074 . 1 . . 277 . . 63 ASP CA . 27645 1
282 . 1 1 63 63 ASP CB C 13 40.354 0.084 . 1 . . 515 . . 63 ASP CB . 27645 1
283 . 1 1 63 63 ASP N N 15 125.023 0.004 . 1 . . 161 . . 63 ASP N . 27645 1
284 . 1 1 64 64 ILE H H 1 6.978 0.005 . 1 . . 31 . . 64 ILE H . 27645 1
285 . 1 1 64 64 ILE C C 13 178.232 . . 1 . . 665 . . 64 ILE C . 27645 1
286 . 1 1 64 64 ILE CA C 13 59.029 0.069 . 1 . . 276 . . 64 ILE CA . 27645 1
287 . 1 1 64 64 ILE CB C 13 36.271 0.031 . 1 . . 437 . . 64 ILE CB . 27645 1
288 . 1 1 64 64 ILE N N 15 118.742 0.009 . 1 . . 32 . . 64 ILE N . 27645 1
289 . 1 1 65 65 SER H H 1 8.649 0.006 . 1 . . 83 . . 65 SER H . 27645 1
290 . 1 1 65 65 SER C C 13 175.724 . . 1 . . 666 . . 65 SER C . 27645 1
291 . 1 1 65 65 SER CA C 13 62.764 0.031 . 1 . . 314 . . 65 SER CA . 27645 1
292 . 1 1 65 65 SER N N 15 117.513 0.052 . 1 . . 84 . . 65 SER N . 27645 1
293 . 1 1 66 66 GLU H H 1 8.784 0.002 . 1 . . 176 . . 66 GLU H . 27645 1
294 . 1 1 66 66 GLU CA C 13 55.710 0.0 . 1 . . 383 . . 66 GLU CA . 27645 1
295 . 1 1 66 66 GLU CB C 13 29.250 . . 1 . . 520 . . 66 GLU CB . 27645 1
296 . 1 1 66 66 GLU N N 15 119.134 0.027 . 1 . . 177 . . 66 GLU N . 27645 1
297 . 1 1 67 67 HIS C C 13 177.358 . . 1 . . 667 . . 67 HIS C . 27645 1
298 . 1 1 67 67 HIS CA C 13 56.980 . . 1 . . 303 . . 67 HIS CA . 27645 1
299 . 1 1 68 68 THR H H 1 8.947 0.011 . 1 . . 69 . . 68 THR H . 27645 1
300 . 1 1 68 68 THR C C 13 174.339 . . 1 . . 668 . . 68 THR C . 27645 1
301 . 1 1 68 68 THR CA C 13 61.105 0.029 . 1 . . 302 . . 68 THR CA . 27645 1
302 . 1 1 68 68 THR CB C 13 70.805 . . 1 . . 594 . . 68 THR CB . 27645 1
303 . 1 1 68 68 THR N N 15 113.885 0.051 . 1 . . 70 . . 68 THR N . 27645 1
304 . 1 1 69 69 HIS H H 1 10.008 0.003 . 1 . . 172 . . 69 HIS H . 27645 1
305 . 1 1 69 69 HIS C C 13 176.931 . . 1 . . 669 . . 69 HIS C . 27645 1
306 . 1 1 69 69 HIS CA C 13 61.727 0.031 . 1 . . 382 . . 69 HIS CA . 27645 1
307 . 1 1 69 69 HIS N N 15 121.871 0.019 . 1 . . 173 . . 69 HIS N . 27645 1
308 . 1 1 70 70 ASP H H 1 9.219 0.005 . 1 . . 210 . . 70 ASP H . 27645 1
309 . 1 1 70 70 ASP C C 13 179.367 . . 1 . . 670 . . 70 ASP C . 27645 1
310 . 1 1 70 70 ASP CA C 13 57.777 0.063 . 1 . . 403 . . 70 ASP CA . 27645 1
311 . 1 1 70 70 ASP CB C 13 40.610 0.014 . 1 . . 540 . . 70 ASP CB . 27645 1
312 . 1 1 70 70 ASP N N 15 115.142 0.009 . 1 . . 211 . . 70 ASP N . 27645 1
313 . 1 1 71 71 GLN H H 1 7.798 0.003 . 1 . . 1 . . 71 GLN H . 27645 1
314 . 1 1 71 71 GLN C C 13 179.218 . . 1 . . 671 . . 71 GLN C . 27645 1
315 . 1 1 71 71 GLN CA C 13 58.859 0.005 . 1 . . 253 . . 71 GLN CA . 27645 1
316 . 1 1 71 71 GLN CB C 13 28.432 . . 1 . . 415 . . 71 GLN CB . 27645 1
317 . 1 1 71 71 GLN N N 15 119.094 0.009 . 1 . . 2 . . 71 GLN N . 27645 1
318 . 1 1 72 72 VAL H H 1 8.293 0.002 . 1 . . 65 . . 72 VAL H . 27645 1
319 . 1 1 72 72 VAL C C 13 177.480 . . 1 . . 672 . . 72 VAL C . 27645 1
320 . 1 1 72 72 VAL CA C 13 67.118 0.033 . 1 . . 298 . . 72 VAL CA . 27645 1
321 . 1 1 72 72 VAL CB C 13 30.614 . . 1 . . 459 . . 72 VAL CB . 27645 1
322 . 1 1 72 72 VAL N N 15 120.199 0.035 . 1 . . 66 . . 72 VAL N . 27645 1
323 . 1 1 73 73 VAL H H 1 8.203 0.004 . 1 . . 25 . . 73 VAL H . 27645 1
324 . 1 1 73 73 VAL C C 13 177.950 . . 1 . . 673 . . 73 VAL C . 27645 1
325 . 1 1 73 73 VAL CA C 13 67.443 0.014 . 1 . . 255 . . 73 VAL CA . 27645 1
326 . 1 1 73 73 VAL CB C 13 33.360 . . 1 . . 434 . . 73 VAL CB . 27645 1
327 . 1 1 73 73 VAL N N 15 120.870 0.007 . 1 . . 26 . . 73 VAL N . 27645 1
328 . 1 1 74 74 MET H H 1 7.954 0.004 . 1 . . 3 . . 74 MET H . 27645 1
329 . 1 1 74 74 MET C C 13 179.062 . . 1 . . 674 . . 74 MET C . 27645 1
330 . 1 1 74 74 MET CA C 13 58.731 0.053 . 1 . . 254 . . 74 MET CA . 27645 1
331 . 1 1 74 74 MET CB C 13 31.988 0.027 . 1 . . 417 . . 74 MET CB . 27645 1
332 . 1 1 74 74 MET N N 15 117.055 0.014 . 1 . . 4 . . 74 MET N . 27645 1
333 . 1 1 75 75 PHE H H 1 7.964 0.003 . 1 . . 39 . . 75 PHE H . 27645 1
334 . 1 1 75 75 PHE C C 13 175.252 . . 1 . . 675 . . 75 PHE C . 27645 1
335 . 1 1 75 75 PHE CA C 13 59.745 0.035 . 1 . . 282 . . 75 PHE CA . 27645 1
336 . 1 1 75 75 PHE CB C 13 38.860 0.001 . 1 . . 443 . . 75 PHE CB . 27645 1
337 . 1 1 75 75 PHE N N 15 120.823 0.043 . 1 . . 40 . . 75 PHE N . 27645 1
338 . 1 1 76 76 ILE H H 1 8.518 0.003 . 1 . . 180 . . 76 ILE H . 27645 1
339 . 1 1 76 76 ILE C C 13 178.847 . . 1 . . 676 . . 76 ILE C . 27645 1
340 . 1 1 76 76 ILE CA C 13 66.007 0.083 . 1 . . 385 . . 76 ILE CA . 27645 1
341 . 1 1 76 76 ILE N N 15 121.860 0.007 . 1 . . 181 . . 76 ILE N . 27645 1
342 . 1 1 77 77 LYS H H 1 8.571 0.025 . 1 . . 119 . . 77 LYS H . 27645 1
343 . 1 1 77 77 LYS C C 13 174.686 . . 1 . . 677 . . 77 LYS C . 27645 1
344 . 1 1 77 77 LYS CA C 13 60.231 0.039 . 1 . . 408 . . 77 LYS CA . 27645 1
345 . 1 1 77 77 LYS CB C 13 32.373 0.026 . 1 . . 601 . . 77 LYS CB . 27645 1
346 . 1 1 77 77 LYS N N 15 119.567 0.069 . 1 . . 120 . . 77 LYS N . 27645 1
347 . 1 1 78 78 ALA H H 1 8.208 0.006 . 1 . . 218 . . 78 ALA H . 27645 1
348 . 1 1 78 78 ALA C C 13 180.093 . . 1 . . 678 . . 78 ALA C . 27645 1
349 . 1 1 78 78 ALA CA C 13 54.450 0.031 . 1 . . 407 . . 78 ALA CA . 27645 1
350 . 1 1 78 78 ALA CB C 13 18.134 0.043 . 1 . . 544 . . 78 ALA CB . 27645 1
351 . 1 1 78 78 ALA N N 15 121.445 0.017 . 1 . . 219 . . 78 ALA N . 27645 1
352 . 1 1 79 79 SER H H 1 7.808 0.004 . 1 . . 75 . . 79 SER H . 27645 1
353 . 1 1 79 79 SER C C 13 175.650 . . 1 . . 679 . . 79 SER C . 27645 1
354 . 1 1 79 79 SER CA C 13 61.505 0.029 . 1 . . 308 . . 79 SER CA . 27645 1
355 . 1 1 79 79 SER CB C 13 62.876 0.003 . 1 . . 464 . . 79 SER CB . 27645 1
356 . 1 1 79 79 SER N N 15 115.565 0.013 . 1 . . 76 . . 79 SER N . 27645 1
357 . 1 1 80 80 ARG H H 1 7.715 0.005 . 1 . . 103 . . 80 ARG H . 27645 1
358 . 1 1 80 80 ARG C C 13 176.374 . . 1 . . 680 . . 80 ARG C . 27645 1
359 . 1 1 80 80 ARG CA C 13 57.895 . . 1 . . 390 . . 80 ARG CA . 27645 1
360 . 1 1 80 80 ARG CB C 13 30.170 0.014 . 1 . . 528 . . 80 ARG CB . 27645 1
361 . 1 1 80 80 ARG N N 15 119.743 0.016 . 1 . . 104 . . 80 ARG N . 27645 1
362 . 1 1 81 81 GLU H H 1 7.664 0.004 . 1 . . 184 . . 81 GLU H . 27645 1
363 . 1 1 81 81 GLU C C 13 176.638 . . 1 . . 681 . . 81 GLU C . 27645 1
364 . 1 1 81 81 GLU CA C 13 56.030 0.069 . 1 . . 337 . . 81 GLU CA . 27645 1
365 . 1 1 81 81 GLU CB C 13 29.821 0.038 . 1 . . 527 . . 81 GLU CB . 27645 1
366 . 1 1 81 81 GLU N N 15 116.066 0.037 . 1 . . 185 . . 81 GLU N . 27645 1
367 . 1 1 82 82 SER H H 1 7.533 0.001 . 1 . . 115 . . 82 SER H . 27645 1
368 . 1 1 82 82 SER CA C 13 58.134 . . 1 . . 336 . . 82 SER CA . 27645 1
369 . 1 1 82 82 SER CB C 13 64.573 0.023 . 1 . . 488 . . 82 SER CB . 27645 1
370 . 1 1 82 82 SER N N 15 115.051 0.034 . 1 . . 116 . . 82 SER N . 27645 1
371 . 1 1 83 83 HIS C C 13 176.601 . . 1 . . 682 . . 83 HIS C . 27645 1
372 . 1 1 83 83 HIS CA C 13 58.671 0.071 . 1 . . 284 . . 83 HIS CA . 27645 1
373 . 1 1 83 83 HIS CB C 13 29.967 . . 1 . . 446 . . 83 HIS CB . 27645 1
374 . 1 1 84 84 SER H H 1 8.176 0.008 . 1 . . 41 . . 84 SER H . 27645 1
375 . 1 1 84 84 SER C C 13 174.623 . . 1 . . 683 . . 84 SER C . 27645 1
376 . 1 1 84 84 SER CA C 13 58.450 0.034 . 1 . . 323 . . 84 SER CA . 27645 1
377 . 1 1 84 84 SER CB C 13 63.580 0.053 . 1 . . 445 . . 84 SER CB . 27645 1
378 . 1 1 84 84 SER N N 15 113.292 0.019 . 1 . . 42 . . 84 SER N . 27645 1
379 . 1 1 85 85 ARG H H 1 8.073 0.004 . 1 . . 93 . . 85 ARG H . 27645 1
380 . 1 1 85 85 ARG C C 13 174.337 . . 1 . . 684 . . 85 ARG C . 27645 1
381 . 1 1 85 85 ARG CA C 13 57.281 0.062 . 1 . . 322 . . 85 ARG CA . 27645 1
382 . 1 1 85 85 ARG CB C 13 29.351 0.045 . 1 . . 474 . . 85 ARG CB . 27645 1
383 . 1 1 85 85 ARG N N 15 119.938 0.021 . 1 . . 94 . . 85 ARG N . 27645 1
384 . 1 1 86 86 GLU H H 1 7.514 0.005 . 1 . . 51 . . 86 GLU H . 27645 1
385 . 1 1 86 86 GLU C C 13 175.146 . . 1 . . 685 . . 86 GLU C . 27645 1
386 . 1 1 86 86 GLU CA C 13 56.334 0.076 . 1 . . 406 . . 86 GLU CA . 27645 1
387 . 1 1 86 86 GLU CB C 13 32.380 0.005 . 1 . . 543 . . 86 GLU CB . 27645 1
388 . 1 1 86 86 GLU N N 15 115.846 0.013 . 1 . . 52 . . 86 GLU N . 27645 1
389 . 1 1 87 87 LEU H H 1 9.204 0.005 . 1 . . 216 . . 87 LEU H . 27645 1
390 . 1 1 87 87 LEU C C 13 173.931 . . 1 . . 686 . . 87 LEU C . 27645 1
391 . 1 1 87 87 LEU CA C 13 53.821 0.101 . 1 . . 581 . . 87 LEU CA . 27645 1
392 . 1 1 87 87 LEU CB C 13 44.781 0.034 . 1 . . 542 . . 87 LEU CB . 27645 1
393 . 1 1 87 87 LEU N N 15 128.862 0.017 . 1 . . 217 . . 87 LEU N . 27645 1
394 . 1 1 88 88 ALA H H 1 8.743 0.004 . 1 . . 37 . . 88 ALA H . 27645 1
395 . 1 1 88 88 ALA C C 13 176.387 . . 1 . . 687 . . 88 ALA C . 27645 1
396 . 1 1 88 88 ALA CA C 13 50.403 0.082 . 1 . . 280 . . 88 ALA CA . 27645 1
397 . 1 1 88 88 ALA CB C 13 19.316 0.028 . 1 . . 441 . . 88 ALA CB . 27645 1
398 . 1 1 88 88 ALA N N 15 129.427 0.01 . 1 . . 38 . . 88 ALA N . 27645 1
399 . 1 1 89 89 LEU H H 1 9.562 0.003 . 1 . . 7 . . 89 LEU H . 27645 1
400 . 1 1 89 89 LEU C C 13 175.925 . . 1 . . 688 . . 89 LEU C . 27645 1
401 . 1 1 89 89 LEU CA C 13 53.005 0.063 . 1 . . 261 . . 89 LEU CA . 27645 1
402 . 1 1 89 89 LEU CB C 13 45.406 0.069 . 1 . . 421 . . 89 LEU CB . 27645 1
403 . 1 1 89 89 LEU N N 15 125.611 0.026 . 1 . . 8 . . 89 LEU N . 27645 1
404 . 1 1 90 90 VAL H H 1 8.382 0.005 . 1 . . 43 . . 90 VAL H . 27645 1
405 . 1 1 90 90 VAL C C 13 175.896 . . 1 . . 689 . . 90 VAL C . 27645 1
406 . 1 1 90 90 VAL CA C 13 62.671 0.009 . 1 . . 285 . . 90 VAL CA . 27645 1
407 . 1 1 90 90 VAL CB C 13 32.265 0.015 . 1 . . 448 . . 90 VAL CB . 27645 1
408 . 1 1 90 90 VAL N N 15 122.548 0.024 . 1 . . 44 . . 90 VAL N . 27645 1
409 . 1 1 91 91 ILE H H 1 9.134 0.007 . 1 . . 599 . . 91 ILE H . 27645 1
410 . 1 1 91 91 ILE C C 13 173.721 . . 1 . . 690 . . 91 ILE C . 27645 1
411 . 1 1 91 91 ILE CA C 13 56.359 0.074 . 1 . . 291 . . 91 ILE CA . 27645 1
412 . 1 1 91 91 ILE N N 15 123.317 0.022 . 1 . . 600 . . 91 ILE N . 27645 1
413 . 1 1 92 92 ARG H H 1 9.356 0.002 . 1 . . 136 . . 92 ARG H . 27645 1
414 . 1 1 92 92 ARG C C 13 174.532 . . 1 . . 691 . . 92 ARG C . 27645 1
415 . 1 1 92 92 ARG CA C 13 54.500 0.139 . 1 . . 359 . . 92 ARG CA . 27645 1
416 . 1 1 92 92 ARG CB C 13 33.048 . . 1 . . 499 . . 92 ARG CB . 27645 1
417 . 1 1 92 92 ARG N N 15 122.290 0.019 . 1 . . 137 . . 92 ARG N . 27645 1
418 . 1 1 93 93 ARG H H 1 8.879 0.004 . 1 . . 29 . . 93 ARG H . 27645 1
419 . 1 1 93 93 ARG C C 13 172.682 . . 1 . . 692 . . 93 ARG C . 27645 1
420 . 1 1 93 93 ARG CA C 13 54.829 . . 1 . . 274 . . 93 ARG CA . 27645 1
421 . 1 1 93 93 ARG CB C 13 33.638 0.037 . 1 . . 550 . . 93 ARG CB . 27645 1
422 . 1 1 93 93 ARG N N 15 130.124 0.016 . 1 . . 30 . . 93 ARG N . 27645 1
423 . 1 1 94 94 ARG H H 1 7.853 0.004 . 1 . . 200 . . 94 ARG H . 27645 1
424 . 1 1 94 94 ARG CA C 13 57.529 . . 1 . . 399 . . 94 ARG CA . 27645 1
425 . 1 1 94 94 ARG CB C 13 32.094 . . 1 . . 536 . . 94 ARG CB . 27645 1
426 . 1 1 94 94 ARG N N 15 125.186 0.006 . 1 . . 201 . . 94 ARG N . 27645 1
stop_
save_