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 18782
_Assigned_chem_shift_list.ID 1
_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 'Origin nmrStar file /ebi/msd/pdb_root/Processing/prepare/2ymj/ebi/qua1_nmrstar3p1b_1.csdep.csh'
_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 [1H-15N]-HSQC 1 $sample_1 solution 18782 1
2 15N-TOCSY-HSQC 1 $sample_1 solution 18782 1
3 15N-NOESY-HSQC 1 $sample_1 solution 18782 1
4 13C-NOESY-HSQC 1 $sample_1 solution 18782 1
5 HNCA 1 $sample_1 solution 18782 1
6 HN(CO)CA 1 $sample_1 solution 18782 1
7 HNCACB 1 $sample_1 solution 18782 1
8 CBCA(CO)NH 1 $sample_1 solution 18782 1
9 HNCO 1 $sample_1 solution 18782 1
10 HBHA(CO)NH 1 $sample_1 solution 18782 1
11 HCCH-TOCSY 1 $sample_1 solution 18782 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 1 1 1 GLY HA2 H 1 3.906 . . 1 . 238 . . 1 GLY HA2 . 18782 1
2 . 1 1 1 1 GLY HA3 H 1 3.906 . . 1 . 236 . . 1 GLY HA3 . 18782 1
3 . 1 1 1 1 GLY CA C 13 43.488 . . 1 . 237 . . 1 GLY CA . 18782 1
4 . 1 1 2 2 SER HA H 1 4.496 0.012 . 1 . 257 . . 2 SER HA . 18782 1
5 . 1 1 2 2 SER HB2 H 1 3.887 0.009 . 1 . 416 . . 2 SER HB2 . 18782 1
6 . 1 1 2 2 SER HB3 H 1 3.887 0.009 . 1 . 255 . . 2 SER HB3 . 18782 1
7 . 1 1 2 2 SER C C 13 172.380 . . 1 . 479 . . 2 SER C . 18782 1
8 . 1 1 2 2 SER CA C 13 58.514 0.037 . 1 . 258 . . 2 SER CA . 18782 1
9 . 1 1 2 2 SER CB C 13 63.906 0.058 . 1 . 256 . . 2 SER CB . 18782 1
10 . 1 1 3 3 LYS H H 1 8.579 0.006 . 1 . 141 . . 3 LYS H . 18782 1
11 . 1 1 3 3 LYS HA H 1 4.351 0.012 . 1 . 154 . . 3 LYS HA . 18782 1
12 . 1 1 3 3 LYS HB2 H 1 1.811 0.012 . 1 . 420 . . 3 LYS HB2 . 18782 1
13 . 1 1 3 3 LYS HB3 H 1 1.811 0.012 . 1 . 419 . . 3 LYS HB3 . 18782 1
14 . 1 1 3 3 LYS HG2 H 1 1.474 0.018 . 1 . 516 . . 3 LYS HG2 . 18782 1
15 . 1 1 3 3 LYS HG3 H 1 1.474 0.018 . 1 . 517 . . 3 LYS HG3 . 18782 1
16 . 1 1 3 3 LYS HD2 H 1 1.699 0.001 . 1 . 518 . . 3 LYS HD2 . 18782 1
17 . 1 1 3 3 LYS HD3 H 1 1.699 0.001 . 1 . 519 . . 3 LYS HD3 . 18782 1
18 . 1 1 3 3 LYS HE2 H 1 3.021 . . 1 . 552 . . 3 LYS HE2 . 18782 1
19 . 1 1 3 3 LYS HE3 H 1 3.021 . . 1 . 553 . . 3 LYS HE3 . 18782 1
20 . 1 1 3 3 LYS C C 13 174.127 . . 1 . 477 . . 3 LYS C . 18782 1
21 . 1 1 3 3 LYS CA C 13 56.413 0.073 . 1 . 415 . . 3 LYS CA . 18782 1
22 . 1 1 3 3 LYS CB C 13 32.849 0.045 . 1 . 414 . . 3 LYS CB . 18782 1
23 . 1 1 3 3 LYS CG C 13 24.795 0.056 . 1 . 499 . . 3 LYS CG . 18782 1
24 . 1 1 3 3 LYS CD C 13 29.131 0.044 . 1 . 498 . . 3 LYS CD . 18782 1
25 . 1 1 3 3 LYS CE C 13 42.127 0.08 . 1 . 497 . . 3 LYS CE . 18782 1
26 . 1 1 3 3 LYS N N 15 123.042 0.038 . 1 . 142 . . 3 LYS N . 18782 1
27 . 1 1 4 4 GLU H H 1 8.319 0.008 . 1 . 143 . . 4 GLU H . 18782 1
28 . 1 1 4 4 GLU HA H 1 4.259 0.01 . 1 . 425 . . 4 GLU HA . 18782 1
29 . 1 1 4 4 GLU HB2 H 1 1.912 0.016 . 1 . 424 . . 4 GLU HB2 . 18782 1
30 . 1 1 4 4 GLU HB3 H 1 1.912 0.016 . 1 . 423 . . 4 GLU HB3 . 18782 1
31 . 1 1 4 4 GLU HG2 H 1 2.250 0.006 . 1 . 426 . . 4 GLU HG2 . 18782 1
32 . 1 1 4 4 GLU HG3 H 1 2.250 0.006 . 1 . 427 . . 4 GLU HG3 . 18782 1
33 . 1 1 4 4 GLU C C 13 173.741 . . 1 . 480 . . 4 GLU C . 18782 1
34 . 1 1 4 4 GLU CA C 13 56.271 0.039 . 1 . 417 . . 4 GLU CA . 18782 1
35 . 1 1 4 4 GLU CB C 13 30.515 0.046 . 1 . 418 . . 4 GLU CB . 18782 1
36 . 1 1 4 4 GLU CG C 13 36.200 0.044 . 1 . 487 . . 4 GLU CG . 18782 1
37 . 1 1 4 4 GLU N N 15 121.449 0.042 . 1 . 144 . . 4 GLU N . 18782 1
38 . 1 1 5 5 LYS H H 1 8.354 0.006 . 1 . 35 . . 5 LYS H . 18782 1
39 . 1 1 5 5 LYS HA H 1 4.513 0.006 . 1 . 36 . . 5 LYS HA . 18782 1
40 . 1 1 5 5 LYS HB2 H 1 1.780 0.02 . 1 . 542 . . 5 LYS HB2 . 18782 1
41 . 1 1 5 5 LYS HB3 H 1 1.780 0.02 . 1 . 541 . . 5 LYS HB3 . 18782 1
42 . 1 1 5 5 LYS HG2 H 1 1.473 0.009 . 1 . 568 . . 5 LYS HG2 . 18782 1
43 . 1 1 5 5 LYS HG3 H 1 1.473 0.009 . 1 . 566 . . 5 LYS HG3 . 18782 1
44 . 1 1 5 5 LYS HD2 H 1 1.669 0.014 . 1 . 557 . . 5 LYS HD2 . 18782 1
45 . 1 1 5 5 LYS HD3 H 1 1.669 0.014 . 1 . 559 . . 5 LYS HD3 . 18782 1
46 . 1 1 5 5 LYS HE2 H 1 3.011 0.005 . 1 . 543 . . 5 LYS HE2 . 18782 1
47 . 1 1 5 5 LYS HE3 H 1 3.011 0.005 . 1 . 551 . . 5 LYS HE3 . 18782 1
48 . 1 1 5 5 LYS CA C 13 54.443 0.038 . 1 . 421 . . 5 LYS CA . 18782 1
49 . 1 1 5 5 LYS CB C 13 32.283 0.126 . 1 . 422 . . 5 LYS CB . 18782 1
50 . 1 1 5 5 LYS CG C 13 24.868 0.05 . 1 . 567 . . 5 LYS CG . 18782 1
51 . 1 1 5 5 LYS CD C 13 29.436 . . 1 . 558 . . 5 LYS CD . 18782 1
52 . 1 1 5 5 LYS CE C 13 42.175 . . 1 . 546 . . 5 LYS CE . 18782 1
53 . 1 1 5 5 LYS N N 15 123.747 0.04 . 1 . 137 . . 5 LYS N . 18782 1
54 . 1 1 6 6 PRO HA H 1 4.245 0.008 . 1 . 432 . . 6 PRO HA . 18782 1
55 . 1 1 6 6 PRO HB2 H 1 1.102 0.009 . 2 . 433 . . 6 PRO HB2 . 18782 1
56 . 1 1 6 6 PRO HB3 H 1 1.914 0.012 . 2 . 434 . . 6 PRO HB3 . 18782 1
57 . 1 1 6 6 PRO HG2 H 1 1.754 0.002 . 2 . 638 . . 6 PRO HG2 . 18782 1
58 . 1 1 6 6 PRO HG3 H 1 1.620 0.012 . 2 . 637 . . 6 PRO HG3 . 18782 1
59 . 1 1 6 6 PRO HD2 H 1 3.389 0.008 . 2 . 504 . . 6 PRO HD2 . 18782 1
60 . 1 1 6 6 PRO HD3 H 1 3.849 0.007 . 2 . 503 . . 6 PRO HD3 . 18782 1
61 . 1 1 6 6 PRO C C 13 173.959 . . 1 . 476 . . 6 PRO C . 18782 1
62 . 1 1 6 6 PRO CA C 13 62.649 0.126 . 1 . 429 . . 6 PRO CA . 18782 1
63 . 1 1 6 6 PRO CB C 13 31.570 0.066 . 1 . 323 . . 6 PRO CB . 18782 1
64 . 1 1 6 6 PRO CG C 13 27.672 0.098 . 1 . 488 . . 6 PRO CG . 18782 1
65 . 1 1 6 6 PRO CD C 13 50.832 0.014 . 1 . 625 . . 6 PRO CD . 18782 1
66 . 1 1 7 7 LYS H H 1 8.263 0.009 . 1 . 204 . . 7 LYS H . 18782 1
67 . 1 1 7 7 LYS HA H 1 4.470 0.01 . 1 . 435 . . 7 LYS HA . 18782 1
68 . 1 1 7 7 LYS HB2 H 1 1.761 0.011 . 1 . 580 . . 7 LYS HB2 . 18782 1
69 . 1 1 7 7 LYS HB3 H 1 1.761 0.011 . 1 . 579 . . 7 LYS HB3 . 18782 1
70 . 1 1 7 7 LYS HG2 H 1 1.550 0.029 . 1 . 569 . . 7 LYS HG2 . 18782 1
71 . 1 1 7 7 LYS HG3 H 1 1.550 0.029 . 1 . 571 . . 7 LYS HG3 . 18782 1
72 . 1 1 7 7 LYS HD2 H 1 1.706 0.014 . 1 . 560 . . 7 LYS HD2 . 18782 1
73 . 1 1 7 7 LYS HD3 H 1 1.706 0.014 . 1 . 562 . . 7 LYS HD3 . 18782 1
74 . 1 1 7 7 LYS HE2 H 1 3.019 . . 1 . 544 . . 7 LYS HE2 . 18782 1
75 . 1 1 7 7 LYS HE3 H 1 3.019 . . 1 . 550 . . 7 LYS HE3 . 18782 1
76 . 1 1 7 7 LYS CA C 13 54.392 0.061 . 1 . 430 . . 7 LYS CA . 18782 1
77 . 1 1 7 7 LYS CB C 13 32.437 0.088 . 1 . 431 . . 7 LYS CB . 18782 1
78 . 1 1 7 7 LYS CG C 13 24.962 0.001 . 1 . 570 . . 7 LYS CG . 18782 1
79 . 1 1 7 7 LYS CD C 13 29.226 . . 1 . 561 . . 7 LYS CD . 18782 1
80 . 1 1 7 7 LYS CE C 13 42.253 . . 1 . 545 . . 7 LYS CE . 18782 1
81 . 1 1 7 7 LYS N N 15 122.786 0.035 . 1 . 428 . . 7 LYS N . 18782 1
82 . 1 1 8 8 PRO HA H 1 4.574 0.006 . 1 . 412 . . 8 PRO HA . 18782 1
83 . 1 1 8 8 PRO HB2 H 1 2.152 0.009 . 1 . 622 . . 8 PRO HB2 . 18782 1
84 . 1 1 8 8 PRO HB3 H 1 2.227 0.018 . 1 . 413 . . 8 PRO HB3 . 18782 1
85 . 1 1 8 8 PRO HG2 H 1 2.050 0.025 . 1 . 623 . . 8 PRO HG2 . 18782 1
86 . 1 1 8 8 PRO HD2 H 1 3.647 0.011 . 2 . 501 . . 8 PRO HD2 . 18782 1
87 . 1 1 8 8 PRO HD3 H 1 3.959 0.015 . 2 . 502 . . 8 PRO HD3 . 18782 1
88 . 1 1 8 8 PRO C C 13 172.457 . . 1 . 446 . . 8 PRO C . 18782 1
89 . 1 1 8 8 PRO CA C 13 63.387 0.095 . 1 . 353 . . 8 PRO CA . 18782 1
90 . 1 1 8 8 PRO CB C 13 31.587 0.263 . 1 . 411 . . 8 PRO CB . 18782 1
91 . 1 1 8 8 PRO CG C 13 27.869 . . 1 . 492 . . 8 PRO CG . 18782 1
92 . 1 1 8 8 PRO CD C 13 50.507 0.045 . 1 . 493 . . 8 PRO CD . 18782 1
93 . 1 1 9 9 THR H H 1 7.688 0.006 . 1 . 100 . . 9 THR H . 18782 1
94 . 1 1 9 9 THR HA H 1 4.885 0.014 . 1 . 276 . . 9 THR HA . 18782 1
95 . 1 1 9 9 THR HB H 1 4.643 0.008 . 1 . 509 . . 9 THR HB . 18782 1
96 . 1 1 9 9 THR HG21 H 1 1.268 0.009 . 1 . 278 . . 9 THR HG21 . 18782 1
97 . 1 1 9 9 THR HG22 H 1 1.268 0.009 . 1 . 278 . . 9 THR HG22 . 18782 1
98 . 1 1 9 9 THR HG23 H 1 1.268 0.009 . 1 . 278 . . 9 THR HG23 . 18782 1
99 . 1 1 9 9 THR CA C 13 59.195 0.066 . 1 . 334 . . 9 THR CA . 18782 1
100 . 1 1 9 9 THR CB C 13 70.296 0.059 . 1 . 410 . . 9 THR CB . 18782 1
101 . 1 1 9 9 THR CG2 C 13 22.069 0.045 . 1 . 279 . . 9 THR CG2 . 18782 1
102 . 1 1 9 9 THR N N 15 114.913 0.055 . 1 . 101 . . 9 THR N . 18782 1
103 . 1 1 10 10 PRO HA H 1 4.273 0.015 . 1 . 264 . . 10 PRO HA . 18782 1
104 . 1 1 10 10 PRO HB2 H 1 2.032 0.017 . 2 . 409 . . 10 PRO HB2 . 18782 1
105 . 1 1 10 10 PRO HB3 H 1 2.450 0.006 . 2 . 408 . . 10 PRO HB3 . 18782 1
106 . 1 1 10 10 PRO HG2 H 1 2.054 0.019 . 2 . 621 . . 10 PRO HG2 . 18782 1
107 . 1 1 10 10 PRO HG3 H 1 2.215 0.01 . 2 . 584 . . 10 PRO HG3 . 18782 1
108 . 1 1 10 10 PRO HD2 H 1 3.893 0.011 . 1 . 583 . . 10 PRO HD2 . 18782 1
109 . 1 1 10 10 PRO HD3 H 1 3.940 0.011 . 1 . 581 . . 10 PRO HD3 . 18782 1
110 . 1 1 10 10 PRO C C 13 176.240 . . 1 . 485 . . 10 PRO C . 18782 1
111 . 1 1 10 10 PRO CA C 13 65.399 0.02 . 1 . 406 . . 10 PRO CA . 18782 1
112 . 1 1 10 10 PRO CB C 13 31.883 0.07 . 1 . 407 . . 10 PRO CB . 18782 1
113 . 1 1 10 10 PRO CG C 13 28.024 0.036 . 1 . 585 . . 10 PRO CG . 18782 1
114 . 1 1 10 10 PRO CD C 13 50.835 0.156 . 1 . 582 . . 10 PRO CD . 18782 1
115 . 1 1 11 11 ASP H H 1 8.179 0.01 . 1 . 193 . . 11 ASP H . 18782 1
116 . 1 1 11 11 ASP HA H 1 4.481 0.007 . 1 . 403 . . 11 ASP HA . 18782 1
117 . 1 1 11 11 ASP HB2 H 1 2.659 0.011 . 1 . 402 . . 11 ASP HB2 . 18782 1
118 . 1 1 11 11 ASP HB3 H 1 2.659 0.011 . 1 . 401 . . 11 ASP HB3 . 18782 1
119 . 1 1 11 11 ASP C C 13 175.361 . . 1 . 471 . . 11 ASP C . 18782 1
120 . 1 1 11 11 ASP CA C 13 56.997 0.039 . 1 . 404 . . 11 ASP CA . 18782 1
121 . 1 1 11 11 ASP CB C 13 40.616 0.045 . 1 . 405 . . 11 ASP CB . 18782 1
122 . 1 1 11 11 ASP N N 15 116.540 0.038 . 1 . 194 . . 11 ASP N . 18782 1
123 . 1 1 12 12 TYR H H 1 7.983 0.009 . 1 . 140 . . 12 TYR H . 18782 1
124 . 1 1 12 12 TYR HA H 1 4.595 0.012 . 1 . 399 . . 12 TYR HA . 18782 1
125 . 1 1 12 12 TYR HB2 H 1 2.998 0.009 . 2 . 400 . . 12 TYR HB2 . 18782 1
126 . 1 1 12 12 TYR HB3 H 1 3.399 0.004 . 2 . 520 . . 12 TYR HB3 . 18782 1
127 . 1 1 12 12 TYR HD1 H 1 6.927 0.007 . 3 . 223 . . 12 TYR HD1 . 18782 1
128 . 1 1 12 12 TYR HD2 H 1 6.927 0.007 . 3 . 224 . . 12 TYR HD2 . 18782 1
129 . 1 1 12 12 TYR HE1 H 1 5.657 0.008 . 3 . 227 . . 12 TYR HE1 . 18782 1
130 . 1 1 12 12 TYR HE2 H 1 5.657 0.008 . 3 . 228 . . 12 TYR HE2 . 18782 1
131 . 1 1 12 12 TYR C C 13 175.352 . . 1 . 454 . . 12 TYR C . 18782 1
132 . 1 1 12 12 TYR CA C 13 58.675 0.055 . 1 . 329 . . 12 TYR CA . 18782 1
133 . 1 1 12 12 TYR CB C 13 38.384 0.058 . 1 . 330 . . 12 TYR CB . 18782 1
134 . 1 1 12 12 TYR CD1 C 13 132.432 0.081 . 3 . 225 . . 12 TYR CD1 . 18782 1
135 . 1 1 12 12 TYR CD2 C 13 132.432 0.081 . 3 . 226 . . 12 TYR CD2 . 18782 1
136 . 1 1 12 12 TYR CE1 C 13 117.364 0.045 . 3 . 229 . . 12 TYR CE1 . 18782 1
137 . 1 1 12 12 TYR CE2 C 13 117.364 0.045 . 3 . 230 . . 12 TYR CE2 . 18782 1
138 . 1 1 12 12 TYR N N 15 120.945 0.04 . 1 . 149 . . 12 TYR N . 18782 1
139 . 1 1 13 13 LEU H H 1 8.032 0.013 . 1 . 56 . . 13 LEU H . 18782 1
140 . 1 1 13 13 LEU HA H 1 3.797 0.015 . 1 . 394 . . 13 LEU HA . 18782 1
141 . 1 1 13 13 LEU HB2 H 1 1.384 0.023 . 2 . 395 . . 13 LEU HB2 . 18782 1
142 . 1 1 13 13 LEU HB3 H 1 2.018 0.01 . 2 . 618 . . 13 LEU HB3 . 18782 1
143 . 1 1 13 13 LEU HG H 1 1.619 0.021 . 1 . 619 . . 13 LEU HG . 18782 1
144 . 1 1 13 13 LEU HD11 H 1 0.899 0.019 . 1 . 512 . . 13 LEU HD11 . 18782 1
145 . 1 1 13 13 LEU HD12 H 1 0.899 0.019 . 1 . 512 . . 13 LEU HD12 . 18782 1
146 . 1 1 13 13 LEU HD13 H 1 0.899 0.019 . 1 . 512 . . 13 LEU HD13 . 18782 1
147 . 1 1 13 13 LEU C C 13 175.946 . . 1 . 483 . . 13 LEU C . 18782 1
148 . 1 1 13 13 LEU CA C 13 58.186 0.055 . 1 . 396 . . 13 LEU CA . 18782 1
149 . 1 1 13 13 LEU CB C 13 40.764 0.069 . 1 . 397 . . 13 LEU CB . 18782 1
150 . 1 1 13 13 LEU CG C 13 26.931 0.021 . 1 . 620 . . 13 LEU CG . 18782 1
151 . 1 1 13 13 LEU CD1 C 13 23.582 0.056 . 1 . 513 . . 13 LEU CD1 . 18782 1
152 . 1 1 13 13 LEU N N 15 117.467 0.041 . 1 . 398 . . 13 LEU N . 18782 1
153 . 1 1 14 14 MET H H 1 8.173 0.008 . 1 . 192 . . 14 MET H . 18782 1
154 . 1 1 14 14 MET HA H 1 4.137 0.013 . 1 . 390 . . 14 MET HA . 18782 1
155 . 1 1 14 14 MET HB2 H 1 2.298 0.016 . 2 . 391 . . 14 MET HB2 . 18782 1
156 . 1 1 14 14 MET HB3 H 1 2.663 0.025 . 2 . 392 . . 14 MET HB3 . 18782 1
157 . 1 1 14 14 MET HG2 H 1 2.734 0.016 . 1 . 511 . . 14 MET HG2 . 18782 1
158 . 1 1 14 14 MET HG3 H 1 2.739 0.012 . 1 . 587 . . 14 MET HG3 . 18782 1
159 . 1 1 14 14 MET HE1 H 1 2.064 0.004 . 1 . 152 . . 14 MET HE1 . 18782 1
160 . 1 1 14 14 MET HE2 H 1 2.064 0.004 . 1 . 152 . . 14 MET HE2 . 18782 1
161 . 1 1 14 14 MET HE3 H 1 2.064 0.004 . 1 . 152 . . 14 MET HE3 . 18782 1
162 . 1 1 14 14 MET C C 13 176.865 . . 1 . 457 . . 14 MET C . 18782 1
163 . 1 1 14 14 MET CA C 13 58.785 0.083 . 1 . 187 . . 14 MET CA . 18782 1
164 . 1 1 14 14 MET CB C 13 32.093 0.068 . 1 . 393 . . 14 MET CB . 18782 1
165 . 1 1 14 14 MET CG C 13 32.052 0.055 . 1 . 586 . . 14 MET CG . 18782 1
166 . 1 1 14 14 MET CE C 13 15.784 0.022 . 1 . 537 . . 14 MET CE . 18782 1
167 . 1 1 14 14 MET N N 15 116.718 0.051 . 1 . 191 . . 14 MET N . 18782 1
168 . 1 1 15 15 GLN H H 1 8.070 0.009 . 1 . 106 . . 15 GLN H . 18782 1
169 . 1 1 15 15 GLN HA H 1 4.307 0.01 . 1 . 185 . . 15 GLN HA . 18782 1
170 . 1 1 15 15 GLN HB2 H 1 2.203 0.022 . 2 . 389 . . 15 GLN HB2 . 18782 1
171 . 1 1 15 15 GLN HB3 H 1 2.784 0.011 . 2 . 273 . . 15 GLN HB3 . 18782 1
172 . 1 1 15 15 GLN HG2 H 1 2.758 0.017 . 2 . 616 . . 15 GLN HG2 . 18782 1
173 . 1 1 15 15 GLN HG3 H 1 3.042 0.014 . 2 . 617 . . 15 GLN HG3 . 18782 1
174 . 1 1 15 15 GLN HE21 H 1 7.041 0.022 . 1 . 98 . . 15 GLN HE21 . 18782 1
175 . 1 1 15 15 GLN HE22 H 1 7.699 0.007 . 1 . 437 . . 15 GLN HE22 . 18782 1
176 . 1 1 15 15 GLN C C 13 177.687 . . 1 . 438 . . 15 GLN C . 18782 1
177 . 1 1 15 15 GLN CA C 13 58.823 0.072 . 1 . 387 . . 15 GLN CA . 18782 1
178 . 1 1 15 15 GLN CB C 13 28.618 0.07 . 1 . 388 . . 15 GLN CB . 18782 1
179 . 1 1 15 15 GLN CG C 13 33.125 0.041 . 1 . 615 . . 15 GLN CG . 18782 1
180 . 1 1 15 15 GLN CD C 13 178.767 . . 1 . 439 . . 15 GLN CD . 18782 1
181 . 1 1 15 15 GLN N N 15 118.888 0.049 . 1 . 107 . . 15 GLN N . 18782 1
182 . 1 1 15 15 GLN NE2 N 15 111.213 0.033 . 1 . 99 . . 15 GLN NE2 . 18782 1
183 . 1 1 16 16 LEU H H 1 8.396 0.006 . 1 . 327 . . 16 LEU H . 18782 1
184 . 1 1 16 16 LEU HA H 1 4.074 0.018 . 1 . 384 . . 16 LEU HA . 18782 1
185 . 1 1 16 16 LEU HB2 H 1 1.206 0.012 . 2 . 385 . . 16 LEU HB2 . 18782 1
186 . 1 1 16 16 LEU HB3 H 1 1.969 0.022 . 2 . 386 . . 16 LEU HB3 . 18782 1
187 . 1 1 16 16 LEU HG H 1 1.113 0.013 . 1 . 38 . . 16 LEU HG . 18782 1
188 . 1 1 16 16 LEU HD11 H 1 0.114 0.009 . 2 . 37 . . 16 LEU HD11 . 18782 1
189 . 1 1 16 16 LEU HD12 H 1 0.114 0.009 . 2 . 37 . . 16 LEU HD12 . 18782 1
190 . 1 1 16 16 LEU HD13 H 1 0.114 0.009 . 2 . 37 . . 16 LEU HD13 . 18782 1
191 . 1 1 16 16 LEU HD21 H 1 0.608 0.015 . 2 . 39 . . 16 LEU HD21 . 18782 1
192 . 1 1 16 16 LEU HD22 H 1 0.608 0.015 . 2 . 39 . . 16 LEU HD22 . 18782 1
193 . 1 1 16 16 LEU HD23 H 1 0.608 0.015 . 2 . 39 . . 16 LEU HD23 . 18782 1
194 . 1 1 16 16 LEU C C 13 177.145 . . 1 . 462 . . 16 LEU C . 18782 1
195 . 1 1 16 16 LEU CA C 13 58.121 0.07 . 1 . 186 . . 16 LEU CA . 18782 1
196 . 1 1 16 16 LEU CB C 13 42.438 0.074 . 1 . 310 . . 16 LEU CB . 18782 1
197 . 1 1 16 16 LEU CG C 13 26.416 0.053 . 1 . 515 . . 16 LEU CG . 18782 1
198 . 1 1 16 16 LEU CD1 C 13 26.500 0.058 . 2 . 281 . . 16 LEU CD1 . 18782 1
199 . 1 1 16 16 LEU CD2 C 13 22.389 0.044 . 2 . 280 . . 16 LEU CD2 . 18782 1
200 . 1 1 16 16 LEU N N 15 120.932 0.038 . 1 . 328 . . 16 LEU N . 18782 1
201 . 1 1 17 17 MET H H 1 8.711 0.013 . 1 . 27 . . 17 MET H . 18782 1
202 . 1 1 17 17 MET HA H 1 4.271 0.01 . 1 . 26 . . 17 MET HA . 18782 1
203 . 1 1 17 17 MET HB2 H 1 2.103 0.016 . 2 . 591 . . 17 MET HB2 . 18782 1
204 . 1 1 17 17 MET HB3 H 1 2.277 0.008 . 2 . 592 . . 17 MET HB3 . 18782 1
205 . 1 1 17 17 MET HG2 H 1 2.647 0.01 . 1 . 588 . . 17 MET HG2 . 18782 1
206 . 1 1 17 17 MET HG3 H 1 2.706 0.01 . 1 . 590 . . 17 MET HG3 . 18782 1
207 . 1 1 17 17 MET HE1 H 1 2.144 0.005 . 1 . 538 . . 17 MET HE1 . 18782 1
208 . 1 1 17 17 MET HE2 H 1 2.144 0.005 . 1 . 538 . . 17 MET HE2 . 18782 1
209 . 1 1 17 17 MET HE3 H 1 2.144 0.005 . 1 . 538 . . 17 MET HE3 . 18782 1
210 . 1 1 17 17 MET C C 13 177.340 . . 1 . 474 . . 17 MET C . 18782 1
211 . 1 1 17 17 MET CA C 13 57.419 0.07 . 1 . 270 . . 17 MET CA . 18782 1
212 . 1 1 17 17 MET CB C 13 30.536 0.055 . 1 . 318 . . 17 MET CB . 18782 1
213 . 1 1 17 17 MET CG C 13 31.968 0.034 . 1 . 589 . . 17 MET CG . 18782 1
214 . 1 1 17 17 MET CE C 13 17.187 0.02 . 1 . 539 . . 17 MET CE . 18782 1
215 . 1 1 17 17 MET N N 15 116.653 0.026 . 1 . 383 . . 17 MET N . 18782 1
216 . 1 1 18 18 ASN H H 1 8.402 0.009 . 1 . 381 . . 18 ASN H . 18782 1
217 . 1 1 18 18 ASN HA H 1 4.649 0.01 . 1 . 34 . . 18 ASN HA . 18782 1
218 . 1 1 18 18 ASN HB2 H 1 3.052 0.009 . 1 . 380 . . 18 ASN HB2 . 18782 1
219 . 1 1 18 18 ASN HB3 H 1 3.052 0.009 . 1 . 274 . . 18 ASN HB3 . 18782 1
220 . 1 1 18 18 ASN HD21 H 1 6.969 0.011 . 1 . 55 . . 18 ASN HD21 . 18782 1
221 . 1 1 18 18 ASN HD22 H 1 8.035 0.007 . 1 . 436 . . 18 ASN HD22 . 18782 1
222 . 1 1 18 18 ASN C C 13 175.392 . . 1 . 475 . . 18 ASN C . 18782 1
223 . 1 1 18 18 ASN CA C 13 56.589 0.043 . 1 . 271 . . 18 ASN CA . 18782 1
224 . 1 1 18 18 ASN CB C 13 38.102 0.054 . 1 . 184 . . 18 ASN CB . 18782 1
225 . 1 1 18 18 ASN CG C 13 173.753 0.015 . 1 . 441 . . 18 ASN CG . 18782 1
226 . 1 1 18 18 ASN N N 15 121.600 0.053 . 1 . 382 . . 18 ASN N . 18782 1
227 . 1 1 18 18 ASN ND2 N 15 113.450 0.095 . 1 . 97 . . 18 ASN ND2 . 18782 1
228 . 1 1 19 19 ASP H H 1 8.121 0.009 . 1 . 139 . . 19 ASP H . 18782 1
229 . 1 1 19 19 ASP HA H 1 4.795 0.019 . 1 . 378 . . 19 ASP HA . 18782 1
230 . 1 1 19 19 ASP HB2 H 1 2.613 0.011 . 2 . 376 . . 19 ASP HB2 . 18782 1
231 . 1 1 19 19 ASP HB3 H 1 3.329 0.01 . 2 . 377 . . 19 ASP HB3 . 18782 1
232 . 1 1 19 19 ASP C C 13 175.974 . . 1 . 465 . . 19 ASP C . 18782 1
233 . 1 1 19 19 ASP CA C 13 58.602 0.049 . 1 . 379 . . 19 ASP CA . 18782 1
234 . 1 1 19 19 ASP CB C 13 40.382 0.066 . 1 . 324 . . 19 ASP CB . 18782 1
235 . 1 1 19 19 ASP N N 15 122.656 0.04 . 1 . 138 . . 19 ASP N . 18782 1
236 . 1 1 20 20 LYS H H 1 8.311 0.007 . 1 . 25 . . 20 LYS H . 18782 1
237 . 1 1 20 20 LYS HA H 1 3.919 0.006 . 1 . 375 . . 20 LYS HA . 18782 1
238 . 1 1 20 20 LYS HB2 H 1 1.734 0.019 . 2 . 373 . . 20 LYS HB2 . 18782 1
239 . 1 1 20 20 LYS HB3 H 1 2.276 0.007 . 2 . 374 . . 20 LYS HB3 . 18782 1
240 . 1 1 20 20 LYS HG2 H 1 1.454 0.015 . 1 . 576 . . 20 LYS HG2 . 18782 1
241 . 1 1 20 20 LYS HG3 H 1 1.454 0.015 . 1 . 578 . . 20 LYS HG3 . 18782 1
242 . 1 1 20 20 LYS HD2 H 1 1.615 0.014 . 1 . 563 . . 20 LYS HD2 . 18782 1
243 . 1 1 20 20 LYS HD3 H 1 1.609 0.012 . 1 . 565 . . 20 LYS HD3 . 18782 1
244 . 1 1 20 20 LYS HE2 H 1 2.994 . . 1 . 635 . . 20 LYS HE2 . 18782 1
245 . 1 1 20 20 LYS HE3 H 1 2.994 . . 1 . 636 . . 20 LYS HE3 . 18782 1
246 . 1 1 20 20 LYS C C 13 176.306 . . 1 . 473 . . 20 LYS C . 18782 1
247 . 1 1 20 20 LYS CA C 13 59.133 0.087 . 1 . 277 . . 20 LYS CA . 18782 1
248 . 1 1 20 20 LYS CB C 13 32.348 0.009 . 1 . 372 . . 20 LYS CB . 18782 1
249 . 1 1 20 20 LYS CG C 13 25.112 . . 1 . 577 . . 20 LYS CG . 18782 1
250 . 1 1 20 20 LYS CD C 13 28.952 . . 1 . 564 . . 20 LYS CD . 18782 1
251 . 1 1 20 20 LYS N N 15 120.267 0.03 . 1 . 145 . . 20 LYS N . 18782 1
252 . 1 1 21 21 LYS H H 1 8.440 0.009 . 1 . 150 . . 21 LYS H . 18782 1
253 . 1 1 21 21 LYS HA H 1 4.057 0.006 . 1 . 15 . . 21 LYS HA . 18782 1
254 . 1 1 21 21 LYS HB2 H 1 2.042 0.019 . 1 . 369 . . 21 LYS HB2 . 18782 1
255 . 1 1 21 21 LYS HB3 H 1 2.042 0.019 . 1 . 370 . . 21 LYS HB3 . 18782 1
256 . 1 1 21 21 LYS HG2 H 1 1.539 . . 1 . 575 . . 21 LYS HG2 . 18782 1
257 . 1 1 21 21 LYS HG3 H 1 1.539 . . 1 . 642 . . 21 LYS HG3 . 18782 1
258 . 1 1 21 21 LYS HD2 H 1 1.741 . . 1 . 554 . . 21 LYS HD2 . 18782 1
259 . 1 1 21 21 LYS HD3 H 1 1.741 . . 1 . 556 . . 21 LYS HD3 . 18782 1
260 . 1 1 21 21 LYS HE2 H 1 2.998 . . 1 . 548 . . 21 LYS HE2 . 18782 1
261 . 1 1 21 21 LYS HE3 H 1 2.998 . . 1 . 549 . . 21 LYS HE3 . 18782 1
262 . 1 1 21 21 LYS C C 13 177.830 . . 1 . 472 . . 21 LYS C . 18782 1
263 . 1 1 21 21 LYS CA C 13 59.402 0.086 . 1 . 368 . . 21 LYS CA . 18782 1
264 . 1 1 21 21 LYS CB C 13 32.473 0.033 . 1 . 371 . . 21 LYS CB . 18782 1
265 . 1 1 21 21 LYS CG C 13 24.923 0.005 . 1 . 574 . . 21 LYS CG . 18782 1
266 . 1 1 21 21 LYS CD C 13 29.450 . . 1 . 555 . . 21 LYS CD . 18782 1
267 . 1 1 21 21 LYS CE C 13 42.137 . . 1 . 547 . . 21 LYS CE . 18782 1
268 . 1 1 21 21 LYS N N 15 121.643 0.043 . 1 . 151 . . 21 LYS N . 18782 1
269 . 1 1 22 22 LEU H H 1 8.362 0.014 . 1 . 325 . . 22 LEU H . 18782 1
270 . 1 1 22 22 LEU HA H 1 4.103 0.01 . 1 . 366 . . 22 LEU HA . 18782 1
271 . 1 1 22 22 LEU HB2 H 1 1.357 0.015 . 2 . 364 . . 22 LEU HB2 . 18782 1
272 . 1 1 22 22 LEU HB3 H 1 1.971 0.009 . 2 . 365 . . 22 LEU HB3 . 18782 1
273 . 1 1 22 22 LEU HG H 1 1.597 0.007 . 1 . 45 . . 22 LEU HG . 18782 1
274 . 1 1 22 22 LEU HD11 H 1 0.604 0.014 . 2 . 43 . . 22 LEU HD11 . 18782 1
275 . 1 1 22 22 LEU HD12 H 1 0.604 0.014 . 2 . 43 . . 22 LEU HD12 . 18782 1
276 . 1 1 22 22 LEU HD13 H 1 0.604 0.014 . 2 . 43 . . 22 LEU HD13 . 18782 1
277 . 1 1 22 22 LEU HD21 H 1 0.730 0.005 . 2 . 44 . . 22 LEU HD21 . 18782 1
278 . 1 1 22 22 LEU HD22 H 1 0.730 0.005 . 2 . 44 . . 22 LEU HD22 . 18782 1
279 . 1 1 22 22 LEU HD23 H 1 0.730 0.005 . 2 . 44 . . 22 LEU HD23 . 18782 1
280 . 1 1 22 22 LEU C C 13 177.391 . . 1 . 459 . . 22 LEU C . 18782 1
281 . 1 1 22 22 LEU CA C 13 57.914 0.053 . 1 . 367 . . 22 LEU CA . 18782 1
282 . 1 1 22 22 LEU CB C 13 42.015 0.064 . 1 . 331 . . 22 LEU CB . 18782 1
283 . 1 1 22 22 LEU CG C 13 27.073 0.048 . 1 . 514 . . 22 LEU CG . 18782 1
284 . 1 1 22 22 LEU CD1 C 13 23.492 0.054 . 2 . 293 . . 22 LEU CD1 . 18782 1
285 . 1 1 22 22 LEU CD2 C 13 25.104 0.05 . 2 . 290 . . 22 LEU CD2 . 18782 1
286 . 1 1 22 22 LEU N N 15 121.296 0.056 . 1 . 326 . . 22 LEU N . 18782 1
287 . 1 1 23 23 MET H H 1 8.427 0.011 . 1 . 362 . . 23 MET H . 18782 1
288 . 1 1 23 23 MET HA H 1 4.011 0.013 . 1 . 361 . . 23 MET HA . 18782 1
289 . 1 1 23 23 MET HB2 H 1 2.162 0.02 . 1 . 131 . . 23 MET HB2 . 18782 1
290 . 1 1 23 23 MET HB3 H 1 2.162 0.02 . 1 . 132 . . 23 MET HB3 . 18782 1
291 . 1 1 23 23 MET HG2 H 1 2.060 0.007 . 1 . 594 . . 23 MET HG2 . 18782 1
292 . 1 1 23 23 MET HG3 H 1 2.060 0.007 . 1 . 595 . . 23 MET HG3 . 18782 1
293 . 1 1 23 23 MET HE1 H 1 1.750 0.009 . 1 . 533 . . 23 MET HE1 . 18782 1
294 . 1 1 23 23 MET HE2 H 1 1.750 0.009 . 1 . 533 . . 23 MET HE2 . 18782 1
295 . 1 1 23 23 MET HE3 H 1 1.750 0.009 . 1 . 533 . . 23 MET HE3 . 18782 1
296 . 1 1 23 23 MET C C 13 175.444 . . 1 . 443 . . 23 MET C . 18782 1
297 . 1 1 23 23 MET CA C 13 59.807 0.099 . 1 . 181 . . 23 MET CA . 18782 1
298 . 1 1 23 23 MET CB C 13 32.467 0.081 . 1 . 332 . . 23 MET CB . 18782 1
299 . 1 1 23 23 MET CG C 13 32.228 0.036 . 1 . 593 . . 23 MET CG . 18782 1
300 . 1 1 23 23 MET CE C 13 17.979 0.041 . 1 . 534 . . 23 MET CE . 18782 1
301 . 1 1 23 23 MET N N 15 118.787 0.044 . 1 . 363 . . 23 MET N . 18782 1
302 . 1 1 24 24 SER H H 1 7.939 0.019 . 1 . 108 . . 24 SER H . 18782 1
303 . 1 1 24 24 SER HA H 1 4.460 0.02 . 1 . 133 . . 24 SER HA . 18782 1
304 . 1 1 24 24 SER HB2 H 1 4.047 0.008 . 1 . 358 . . 24 SER HB2 . 18782 1
305 . 1 1 24 24 SER HB3 H 1 4.047 0.008 . 1 . 130 . . 24 SER HB3 . 18782 1
306 . 1 1 24 24 SER C C 13 172.494 . . 1 . 448 . . 24 SER C . 18782 1
307 . 1 1 24 24 SER CA C 13 60.365 0.065 . 1 . 359 . . 24 SER CA . 18782 1
308 . 1 1 24 24 SER CB C 13 63.627 0.105 . 1 . 360 . . 24 SER CB . 18782 1
309 . 1 1 24 24 SER N N 15 110.833 0.043 . 1 . 109 . . 24 SER N . 18782 1
310 . 1 1 25 25 SER H H 1 7.853 0.009 . 1 . 147 . . 25 SER H . 18782 1
311 . 1 1 25 25 SER HA H 1 4.583 0.009 . 1 . 7 . . 25 SER HA . 18782 1
312 . 1 1 25 25 SER HB2 H 1 4.030 0.009 . 1 . 357 . . 25 SER HB2 . 18782 1
313 . 1 1 25 25 SER HB3 H 1 4.030 0.009 . 1 . 356 . . 25 SER HB3 . 18782 1
314 . 1 1 25 25 SER C C 13 171.593 . . 1 . 482 . . 25 SER C . 18782 1
315 . 1 1 25 25 SER CA C 13 59.294 0.147 . 1 . 182 . . 25 SER CA . 18782 1
316 . 1 1 25 25 SER CB C 13 64.487 0.041 . 1 . 354 . . 25 SER CB . 18782 1
317 . 1 1 25 25 SER N N 15 115.491 0.044 . 1 . 148 . . 25 SER N . 18782 1
318 . 1 1 26 26 LEU H H 1 7.522 0.009 . 1 . 335 . . 26 LEU H . 18782 1
319 . 1 1 26 26 LEU HA H 1 4.901 0.01 . 1 . 6 . . 26 LEU HA . 18782 1
320 . 1 1 26 26 LEU HB2 H 1 1.650 0.02 . 2 . 507 . . 26 LEU HB2 . 18782 1
321 . 1 1 26 26 LEU HB3 H 1 2.069 0.023 . 2 . 508 . . 26 LEU HB3 . 18782 1
322 . 1 1 26 26 LEU HG H 1 0.914 0.019 . 1 . 613 . . 26 LEU HG . 18782 1
323 . 1 1 26 26 LEU HD11 H 1 0.916 0.01 . 1 . 505 . . 26 LEU HD11 . 18782 1
324 . 1 1 26 26 LEU HD12 H 1 0.916 0.01 . 1 . 505 . . 26 LEU HD12 . 18782 1
325 . 1 1 26 26 LEU HD13 H 1 0.916 0.01 . 1 . 505 . . 26 LEU HD13 . 18782 1
326 . 1 1 26 26 LEU CA C 13 52.565 0.08 . 1 . 265 . . 26 LEU CA . 18782 1
327 . 1 1 26 26 LEU CB C 13 42.328 0.049 . 1 . 355 . . 26 LEU CB . 18782 1
328 . 1 1 26 26 LEU CG C 13 26.520 0.083 . 1 . 614 . . 26 LEU CG . 18782 1
329 . 1 1 26 26 LEU CD1 C 13 23.281 0.037 . 1 . 506 . . 26 LEU CD1 . 18782 1
330 . 1 1 26 26 LEU N N 15 124.749 0.031 . 1 . 336 . . 26 LEU N . 18782 1
331 . 1 1 27 27 PRO HA H 1 4.466 0.012 . 1 . 164 . . 27 PRO HA . 18782 1
332 . 1 1 27 27 PRO HB2 H 1 1.994 0.015 . 2 . 350 . . 27 PRO HB2 . 18782 1
333 . 1 1 27 27 PRO HB3 H 1 2.366 0.006 . 2 . 351 . . 27 PRO HB3 . 18782 1
334 . 1 1 27 27 PRO HG2 H 1 2.125 0.005 . 1 . 611 . . 27 PRO HG2 . 18782 1
335 . 1 1 27 27 PRO HG3 H 1 2.125 0.005 . 1 . 612 . . 27 PRO HG3 . 18782 1
336 . 1 1 27 27 PRO HD2 H 1 3.829 0.009 . 2 . 254 . . 27 PRO HD2 . 18782 1
337 . 1 1 27 27 PRO HD3 H 1 4.049 0.009 . 2 . 252 . . 27 PRO HD3 . 18782 1
338 . 1 1 27 27 PRO C C 13 175.455 . . 1 . 447 . . 27 PRO C . 18782 1
339 . 1 1 27 27 PRO CA C 13 64.215 0.054 . 1 . 180 . . 27 PRO CA . 18782 1
340 . 1 1 27 27 PRO CB C 13 31.837 0.068 . 1 . 309 . . 27 PRO CB . 18782 1
341 . 1 1 27 27 PRO CG C 13 27.600 0.092 . 1 . 491 . . 27 PRO CG . 18782 1
342 . 1 1 27 27 PRO CD C 13 50.953 0.049 . 1 . 253 . . 27 PRO CD . 18782 1
343 . 1 1 28 28 ASN H H 1 8.934 0.009 . 1 . 20 . . 28 ASN H . 18782 1
344 . 1 1 28 28 ASN HA H 1 4.550 0.012 . 1 . 21 . . 28 ASN HA . 18782 1
345 . 1 1 28 28 ASN HB2 H 1 2.694 0.008 . 2 . 157 . . 28 ASN HB2 . 18782 1
346 . 1 1 28 28 ASN HB3 H 1 2.892 0.005 . 2 . 158 . . 28 ASN HB3 . 18782 1
347 . 1 1 28 28 ASN HD21 H 1 6.875 0.016 . 1 . 60 . . 28 ASN HD21 . 18782 1
348 . 1 1 28 28 ASN HD22 H 1 7.544 0.009 . 1 . 61 . . 28 ASN HD22 . 18782 1
349 . 1 1 28 28 ASN C C 13 173.225 . . 1 . 456 . . 28 ASN C . 18782 1
350 . 1 1 28 28 ASN CA C 13 54.358 0.036 . 1 . 179 . . 28 ASN CA . 18782 1
351 . 1 1 28 28 ASN CB C 13 37.612 0.045 . 1 . 183 . . 28 ASN CB . 18782 1
352 . 1 1 28 28 ASN CG C 13 175.386 0.014 . 1 . 440 . . 28 ASN CG . 18782 1
353 . 1 1 28 28 ASN N N 15 115.245 0.039 . 1 . 87 . . 28 ASN N . 18782 1
354 . 1 1 28 28 ASN ND2 N 15 112.481 0.032 . 1 . 96 . . 28 ASN ND2 . 18782 1
355 . 1 1 29 29 PHE H H 1 7.879 0.007 . 1 . 22 . . 29 PHE H . 18782 1
356 . 1 1 29 29 PHE HA H 1 4.446 0.012 . 1 . 156 . . 29 PHE HA . 18782 1
357 . 1 1 29 29 PHE HB2 H 1 3.295 0.013 . 2 . 50 . . 29 PHE HB2 . 18782 1
358 . 1 1 29 29 PHE HB3 H 1 3.400 0.016 . 2 . 49 . . 29 PHE HB3 . 18782 1
359 . 1 1 29 29 PHE HD1 H 1 7.370 0.015 . 3 . 74 . . 29 PHE HD1 . 18782 1
360 . 1 1 29 29 PHE HD2 H 1 7.370 0.015 . 3 . 75 . . 29 PHE HD2 . 18782 1
361 . 1 1 29 29 PHE HE1 H 1 7.275 0.008 . 3 . 76 . . 29 PHE HE1 . 18782 1
362 . 1 1 29 29 PHE HE2 H 1 7.275 0.008 . 3 . 77 . . 29 PHE HE2 . 18782 1
363 . 1 1 29 29 PHE HZ H 1 7.013 0.012 . 1 . 73 . . 29 PHE HZ . 18782 1
364 . 1 1 29 29 PHE C C 13 174.160 . . 1 . 445 . . 29 PHE C . 18782 1
365 . 1 1 29 29 PHE CA C 13 60.693 0.069 . 1 . 178 . . 29 PHE CA . 18782 1
366 . 1 1 29 29 PHE CB C 13 40.729 0.064 . 1 . 294 . . 29 PHE CB . 18782 1
367 . 1 1 29 29 PHE CD1 C 13 131.772 0.048 . 3 . 211 . . 29 PHE CD1 . 18782 1
368 . 1 1 29 29 PHE CD2 C 13 131.772 0.048 . 3 . 212 . . 29 PHE CD2 . 18782 1
369 . 1 1 29 29 PHE CE1 C 13 131.674 0.048 . 3 . 217 . . 29 PHE CE1 . 18782 1
370 . 1 1 29 29 PHE CE2 C 13 131.674 0.048 . 3 . 218 . . 29 PHE CE2 . 18782 1
371 . 1 1 29 29 PHE CZ C 13 129.548 0.077 . 1 . 215 . . 29 PHE CZ . 18782 1
372 . 1 1 29 29 PHE N N 15 118.628 0.053 . 1 . 88 . . 29 PHE N . 18782 1
373 . 1 1 30 30 SER H H 1 8.499 0.005 . 1 . 89 . . 30 SER H . 18782 1
374 . 1 1 30 30 SER HA H 1 4.495 0.006 . 1 . 162 . . 30 SER HA . 18782 1
375 . 1 1 30 30 SER HB2 H 1 4.042 0.008 . 1 . 163 . . 30 SER HB2 . 18782 1
376 . 1 1 30 30 SER HB3 H 1 4.042 0.008 . 1 . 155 . . 30 SER HB3 . 18782 1
377 . 1 1 30 30 SER C C 13 173.392 . . 1 . 442 . . 30 SER C . 18782 1
378 . 1 1 30 30 SER CA C 13 60.116 0.079 . 1 . 177 . . 30 SER CA . 18782 1
379 . 1 1 30 30 SER CB C 13 63.276 0.101 . 1 . 308 . . 30 SER CB . 18782 1
380 . 1 1 30 30 SER N N 15 113.128 0.03 . 1 . 90 . . 30 SER N . 18782 1
381 . 1 1 31 31 GLY H H 1 8.240 0.009 . 1 . 91 . . 31 GLY H . 18782 1
382 . 1 1 31 31 GLY HA2 H 1 3.853 0.009 . 2 . 160 . . 31 GLY HA2 . 18782 1
383 . 1 1 31 31 GLY HA3 H 1 4.084 0.017 . 2 . 161 . . 31 GLY HA3 . 18782 1
384 . 1 1 31 31 GLY C C 13 172.260 . . 1 . 451 . . 31 GLY C . 18782 1
385 . 1 1 31 31 GLY CA C 13 45.663 0.039 . 1 . 176 . . 31 GLY CA . 18782 1
386 . 1 1 31 31 GLY N N 15 109.566 0.037 . 1 . 92 . . 31 GLY N . 18782 1
387 . 1 1 32 32 ILE H H 1 7.377 0.014 . 1 . 93 . . 32 ILE H . 18782 1
388 . 1 1 32 32 ILE HA H 1 3.939 0.009 . 1 . 159 . . 32 ILE HA . 18782 1
389 . 1 1 32 32 ILE HB H 1 1.426 0.011 . 1 . 5 . . 32 ILE HB . 18782 1
390 . 1 1 32 32 ILE HG12 H 1 0.896 0.018 . 2 . 3 . . 32 ILE HG12 . 18782 1
391 . 1 1 32 32 ILE HG13 H 1 0.960 0.023 . 2 . 4 . . 32 ILE HG13 . 18782 1
392 . 1 1 32 32 ILE HG21 H 1 0.262 0.011 . 1 . 1 . . 32 ILE HG21 . 18782 1
393 . 1 1 32 32 ILE HG22 H 1 0.262 0.011 . 1 . 1 . . 32 ILE HG22 . 18782 1
394 . 1 1 32 32 ILE HG23 H 1 0.262 0.011 . 1 . 1 . . 32 ILE HG23 . 18782 1
395 . 1 1 32 32 ILE HD11 H 1 0.639 0.022 . 1 . 2 . . 32 ILE HD11 . 18782 1
396 . 1 1 32 32 ILE HD12 H 1 0.639 0.022 . 1 . 2 . . 32 ILE HD12 . 18782 1
397 . 1 1 32 32 ILE HD13 H 1 0.639 0.022 . 1 . 2 . . 32 ILE HD13 . 18782 1
398 . 1 1 32 32 ILE C C 13 173.276 . . 1 . 455 . . 32 ILE C . 18782 1
399 . 1 1 32 32 ILE CA C 13 62.463 0.054 . 1 . 175 . . 32 ILE CA . 18782 1
400 . 1 1 32 32 ILE CB C 13 38.981 0.06 . 1 . 231 . . 32 ILE CB . 18782 1
401 . 1 1 32 32 ILE CG1 C 13 26.409 0.11 . 1 . 610 . . 32 ILE CG1 . 18782 1
402 . 1 1 32 32 ILE CG2 C 13 17.043 0.067 . 1 . 233 . . 32 ILE CG2 . 18782 1
403 . 1 1 32 32 ILE CD1 C 13 13.508 0.052 . 1 . 232 . . 32 ILE CD1 . 18782 1
404 . 1 1 32 32 ILE N N 15 116.980 0.054 . 1 . 94 . . 32 ILE N . 18782 1
405 . 1 1 33 33 PHE H H 1 7.804 0.011 . 1 . 23 . . 33 PHE H . 18782 1
406 . 1 1 33 33 PHE HA H 1 4.624 0.006 . 1 . 24 . . 33 PHE HA . 18782 1
407 . 1 1 33 33 PHE HB2 H 1 2.799 0.016 . 2 . 165 . . 33 PHE HB2 . 18782 1
408 . 1 1 33 33 PHE HB3 H 1 2.936 0.012 . 2 . 166 . . 33 PHE HB3 . 18782 1
409 . 1 1 33 33 PHE HD1 H 1 6.994 0.007 . 3 . 58 . . 33 PHE HD1 . 18782 1
410 . 1 1 33 33 PHE HD2 H 1 6.994 0.007 . 3 . 59 . . 33 PHE HD2 . 18782 1
411 . 1 1 33 33 PHE HE1 H 1 6.990 0.01 . 3 . 219 . . 33 PHE HE1 . 18782 1
412 . 1 1 33 33 PHE HE2 H 1 6.990 0.01 . 3 . 220 . . 33 PHE HE2 . 18782 1
413 . 1 1 33 33 PHE HZ H 1 6.662 0.014 . 1 . 57 . . 33 PHE HZ . 18782 1
414 . 1 1 33 33 PHE C C 13 174.337 . . 1 . 464 . . 33 PHE C . 18782 1
415 . 1 1 33 33 PHE CA C 13 57.749 0.048 . 1 . 174 . . 33 PHE CA . 18782 1
416 . 1 1 33 33 PHE CB C 13 41.050 0.043 . 1 . 295 . . 33 PHE CB . 18782 1
417 . 1 1 33 33 PHE CD1 C 13 132.104 0.15 . 3 . 213 . . 33 PHE CD1 . 18782 1
418 . 1 1 33 33 PHE CD2 C 13 132.104 0.15 . 3 . 214 . . 33 PHE CD2 . 18782 1
419 . 1 1 33 33 PHE CE1 C 13 131.737 0.089 . 3 . 221 . . 33 PHE CE1 . 18782 1
420 . 1 1 33 33 PHE CE2 C 13 131.737 0.089 . 3 . 222 . . 33 PHE CE2 . 18782 1
421 . 1 1 33 33 PHE CZ C 13 128.654 0.072 . 1 . 216 . . 33 PHE CZ . 18782 1
422 . 1 1 33 33 PHE N N 15 117.792 0.076 . 1 . 95 . . 33 PHE N . 18782 1
423 . 1 1 34 34 THR H H 1 11.499 0.016 . 1 . 10 . . 34 THR H . 18782 1
424 . 1 1 34 34 THR HA H 1 4.087 0.008 . 1 . 47 . . 34 THR HA . 18782 1
425 . 1 1 34 34 THR HB H 1 3.880 0.014 . 1 . 48 . . 34 THR HB . 18782 1
426 . 1 1 34 34 THR HG21 H 1 0.525 0.01 . 1 . 46 . . 34 THR HG21 . 18782 1
427 . 1 1 34 34 THR HG22 H 1 0.525 0.01 . 1 . 46 . . 34 THR HG22 . 18782 1
428 . 1 1 34 34 THR HG23 H 1 0.525 0.01 . 1 . 46 . . 34 THR HG23 . 18782 1
429 . 1 1 34 34 THR C C 13 174.045 . . 1 . 463 . . 34 THR C . 18782 1
430 . 1 1 34 34 THR CA C 13 66.278 0.048 . 1 . 173 . . 34 THR CA . 18782 1
431 . 1 1 34 34 THR CB C 13 69.735 0.067 . 1 . 240 . . 34 THR CB . 18782 1
432 . 1 1 34 34 THR CG2 C 13 21.353 0.08 . 1 . 239 . . 34 THR CG2 . 18782 1
433 . 1 1 34 34 THR N N 15 123.405 0.053 . 1 . 86 . . 34 THR N . 18782 1
434 . 1 1 35 35 HIS H H 1 10.847 0.013 . 1 . 8 . . 35 HIS H . 18782 1
435 . 1 1 35 35 HIS HA H 1 5.050 0.014 . 1 . 9 . . 35 HIS HA . 18782 1
436 . 1 1 35 35 HIS HB2 H 1 2.869 0.016 . 2 . 51 . . 35 HIS HB2 . 18782 1
437 . 1 1 35 35 HIS HB3 H 1 3.153 0.011 . 2 . 54 . . 35 HIS HB3 . 18782 1
438 . 1 1 35 35 HIS HD2 H 1 6.576 0.013 . 1 . 52 . . 35 HIS HD2 . 18782 1
439 . 1 1 35 35 HIS HE1 H 1 8.008 0.009 . 1 . 53 . . 35 HIS HE1 . 18782 1
440 . 1 1 35 35 HIS C C 13 174.284 . . 1 . 449 . . 35 HIS C . 18782 1
441 . 1 1 35 35 HIS CA C 13 57.715 0.031 . 1 . 263 . . 35 HIS CA . 18782 1
442 . 1 1 35 35 HIS CB C 13 34.260 0.073 . 1 . 262 . . 35 HIS CB . 18782 1
443 . 1 1 35 35 HIS CD2 C 13 117.327 0.126 . 1 . 206 . . 35 HIS CD2 . 18782 1
444 . 1 1 35 35 HIS CE1 C 13 140.598 0.047 . 1 . 205 . . 35 HIS CE1 . 18782 1
445 . 1 1 35 35 HIS N N 15 120.380 0.079 . 1 . 85 . . 35 HIS N . 18782 1
446 . 1 1 36 36 LEU H H 1 6.941 0.015 . 1 . 83 . . 36 LEU H . 18782 1
447 . 1 1 36 36 LEU HA H 1 3.827 0.011 . 1 . 347 . . 36 LEU HA . 18782 1
448 . 1 1 36 36 LEU HB2 H 1 1.319 0.012 . 1 . 349 . . 36 LEU HB2 . 18782 1
449 . 1 1 36 36 LEU HB3 H 1 1.319 0.012 . 1 . 348 . . 36 LEU HB3 . 18782 1
450 . 1 1 36 36 LEU HG H 1 1.475 0.013 . 1 . 42 . . 36 LEU HG . 18782 1
451 . 1 1 36 36 LEU HD11 H 1 0.325 0.013 . 2 . 40 . . 36 LEU HD11 . 18782 1
452 . 1 1 36 36 LEU HD12 H 1 0.325 0.013 . 2 . 40 . . 36 LEU HD12 . 18782 1
453 . 1 1 36 36 LEU HD13 H 1 0.325 0.013 . 2 . 40 . . 36 LEU HD13 . 18782 1
454 . 1 1 36 36 LEU HD21 H 1 0.492 0.013 . 2 . 41 . . 36 LEU HD21 . 18782 1
455 . 1 1 36 36 LEU HD22 H 1 0.492 0.013 . 2 . 41 . . 36 LEU HD22 . 18782 1
456 . 1 1 36 36 LEU HD23 H 1 0.492 0.013 . 2 . 41 . . 36 LEU HD23 . 18782 1
457 . 1 1 36 36 LEU C C 13 174.402 . . 1 . 461 . . 36 LEU C . 18782 1
458 . 1 1 36 36 LEU CA C 13 59.086 0.057 . 1 . 269 . . 36 LEU CA . 18782 1
459 . 1 1 36 36 LEU CB C 13 43.202 0.064 . 1 . 311 . . 36 LEU CB . 18782 1
460 . 1 1 36 36 LEU CG C 13 26.374 0.043 . 1 . 510 . . 36 LEU CG . 18782 1
461 . 1 1 36 36 LEU CD1 C 13 24.754 0.043 . 2 . 291 . . 36 LEU CD1 . 18782 1
462 . 1 1 36 36 LEU CD2 C 13 25.256 0.045 . 2 . 292 . . 36 LEU CD2 . 18782 1
463 . 1 1 36 36 LEU N N 15 117.949 0.042 . 1 . 84 . . 36 LEU N . 18782 1
464 . 1 1 37 37 GLU H H 1 8.497 0.011 . 1 . 104 . . 37 GLU H . 18782 1
465 . 1 1 37 37 GLU HA H 1 3.721 0.011 . 1 . 136 . . 37 GLU HA . 18782 1
466 . 1 1 37 37 GLU HB2 H 1 2.036 0.009 . 1 . 301 . . 37 GLU HB2 . 18782 1
467 . 1 1 37 37 GLU HB3 H 1 2.036 0.009 . 1 . 300 . . 37 GLU HB3 . 18782 1
468 . 1 1 37 37 GLU HG2 H 1 2.300 0.016 . 1 . 297 . . 37 GLU HG2 . 18782 1
469 . 1 1 37 37 GLU HG3 H 1 2.300 0.016 . 1 . 299 . . 37 GLU HG3 . 18782 1
470 . 1 1 37 37 GLU C C 13 175.093 . . 1 . 458 . . 37 GLU C . 18782 1
471 . 1 1 37 37 GLU CA C 13 60.371 0.079 . 1 . 268 . . 37 GLU CA . 18782 1
472 . 1 1 37 37 GLU CB C 13 29.411 0.066 . 1 . 333 . . 37 GLU CB . 18782 1
473 . 1 1 37 37 GLU CG C 13 36.961 0.077 . 1 . 298 . . 37 GLU CG . 18782 1
474 . 1 1 37 37 GLU N N 15 116.333 0.079 . 1 . 105 . . 37 GLU N . 18782 1
475 . 1 1 38 38 ARG H H 1 7.973 0.006 . 1 . 102 . . 38 ARG H . 18782 1
476 . 1 1 38 38 ARG HA H 1 4.221 0.014 . 1 . 129 . . 38 ARG HA . 18782 1
477 . 1 1 38 38 ARG HB2 H 1 1.945 0.011 . 1 . 603 . . 38 ARG HB2 . 18782 1
478 . 1 1 38 38 ARG HB3 H 1 2.018 0.011 . 1 . 602 . . 38 ARG HB3 . 18782 1
479 . 1 1 38 38 ARG HG2 H 1 1.617 0.015 . 1 . 604 . . 38 ARG HG2 . 18782 1
480 . 1 1 38 38 ARG HG3 H 1 1.617 0.015 . 1 . 605 . . 38 ARG HG3 . 18782 1
481 . 1 1 38 38 ARG HD2 H 1 3.180 0.012 . 2 . 606 . . 38 ARG HD2 . 18782 1
482 . 1 1 38 38 ARG HD3 H 1 3.435 0.012 . 2 . 609 . . 38 ARG HD3 . 18782 1
483 . 1 1 38 38 ARG HE H 1 8.006 0.006 . 1 . 134 . . 38 ARG HE . 18782 1
484 . 1 1 38 38 ARG HH11 H 1 7.495 0.004 . 1 . 632 . . 38 ARG HH11 . 18782 1
485 . 1 1 38 38 ARG HH12 H 1 7.495 0.004 . 1 . 631 . . 38 ARG HH12 . 18782 1
486 . 1 1 38 38 ARG HH21 H 1 7.110 0.001 . 1 . 634 . . 38 ARG HH21 . 18782 1
487 . 1 1 38 38 ARG HH22 H 1 7.110 0.001 . 1 . 633 . . 38 ARG HH22 . 18782 1
488 . 1 1 38 38 ARG C C 13 176.248 . . 1 . 484 . . 38 ARG C . 18782 1
489 . 1 1 38 38 ARG CA C 13 59.620 0.052 . 1 . 267 . . 38 ARG CA . 18782 1
490 . 1 1 38 38 ARG CB C 13 29.459 0.068 . 1 . 312 . . 38 ARG CB . 18782 1
491 . 1 1 38 38 ARG CG C 13 27.037 0.097 . 1 . 601 . . 38 ARG CG . 18782 1
492 . 1 1 38 38 ARG CD C 13 42.616 0.056 . 1 . 600 . . 38 ARG CD . 18782 1
493 . 1 1 38 38 ARG CZ C 13 156.223 . . 1 . 639 . . 38 ARG CZ . 18782 1
494 . 1 1 38 38 ARG N N 15 119.653 0.05 . 1 . 103 . . 38 ARG N . 18782 1
495 . 1 1 38 38 ARG NE N 15 113.064 0.03 . 1 . 135 . . 38 ARG NE . 18782 1
496 . 1 1 39 39 LEU H H 1 8.209 0.011 . 1 . 195 . . 39 LEU H . 18782 1
497 . 1 1 39 39 LEU HA H 1 4.000 0.028 . 1 . 272 . . 39 LEU HA . 18782 1
498 . 1 1 39 39 LEU HB2 H 1 1.177 0.012 . 2 . 345 . . 39 LEU HB2 . 18782 1
499 . 1 1 39 39 LEU HB3 H 1 1.964 0.021 . 2 . 346 . . 39 LEU HB3 . 18782 1
500 . 1 1 39 39 LEU HG H 1 2.032 0.006 . 1 . 306 . . 39 LEU HG . 18782 1
501 . 1 1 39 39 LEU HD11 H 1 0.784 0.012 . 2 . 302 . . 39 LEU HD11 . 18782 1
502 . 1 1 39 39 LEU HD12 H 1 0.784 0.012 . 2 . 302 . . 39 LEU HD12 . 18782 1
503 . 1 1 39 39 LEU HD13 H 1 0.784 0.012 . 2 . 302 . . 39 LEU HD13 . 18782 1
504 . 1 1 39 39 LEU HD21 H 1 0.851 0.024 . 2 . 304 . . 39 LEU HD21 . 18782 1
505 . 1 1 39 39 LEU HD22 H 1 0.851 0.024 . 2 . 304 . . 39 LEU HD22 . 18782 1
506 . 1 1 39 39 LEU HD23 H 1 0.851 0.024 . 2 . 304 . . 39 LEU HD23 . 18782 1
507 . 1 1 39 39 LEU C C 13 178.295 . . 1 . 469 . . 39 LEU C . 18782 1
508 . 1 1 39 39 LEU CA C 13 57.797 0.058 . 1 . 203 . . 39 LEU CA . 18782 1
509 . 1 1 39 39 LEU CB C 13 41.201 0.056 . 1 . 319 . . 39 LEU CB . 18782 1
510 . 1 1 39 39 LEU CG C 13 26.301 0.076 . 1 . 307 . . 39 LEU CG . 18782 1
511 . 1 1 39 39 LEU CD1 C 13 26.053 0.075 . 2 . 303 . . 39 LEU CD1 . 18782 1
512 . 1 1 39 39 LEU CD2 C 13 21.911 0.072 . 2 . 305 . . 39 LEU CD2 . 18782 1
513 . 1 1 39 39 LEU N N 15 116.490 0.04 . 1 . 196 . . 39 LEU N . 18782 1
514 . 1 1 40 40 LEU H H 1 7.820 0.008 . 1 . 18 . . 40 LEU H . 18782 1
515 . 1 1 40 40 LEU HA H 1 4.090 0.008 . 1 . 19 . . 40 LEU HA . 18782 1
516 . 1 1 40 40 LEU HB2 H 1 1.286 0.026 . 2 . 344 . . 40 LEU HB2 . 18782 1
517 . 1 1 40 40 LEU HB3 H 1 2.133 0.017 . 2 . 343 . . 40 LEU HB3 . 18782 1
518 . 1 1 40 40 LEU HG H 1 0.943 0.029 . 1 . 608 . . 40 LEU HG . 18782 1
519 . 1 1 40 40 LEU HD11 H 1 0.944 0.021 . 2 . 522 . . 40 LEU HD11 . 18782 1
520 . 1 1 40 40 LEU HD12 H 1 0.944 0.021 . 2 . 522 . . 40 LEU HD12 . 18782 1
521 . 1 1 40 40 LEU HD13 H 1 0.944 0.021 . 2 . 522 . . 40 LEU HD13 . 18782 1
522 . 1 1 40 40 LEU HD21 H 1 1.002 0.007 . 2 . 523 . . 40 LEU HD21 . 18782 1
523 . 1 1 40 40 LEU HD22 H 1 1.002 0.007 . 2 . 523 . . 40 LEU HD22 . 18782 1
524 . 1 1 40 40 LEU HD23 H 1 1.002 0.007 . 2 . 523 . . 40 LEU HD23 . 18782 1
525 . 1 1 40 40 LEU C C 13 175.111 . . 1 . 466 . . 40 LEU C . 18782 1
526 . 1 1 40 40 LEU CA C 13 57.951 0.064 . 1 . 200 . . 40 LEU CA . 18782 1
527 . 1 1 40 40 LEU CB C 13 40.964 0.065 . 1 . 317 . . 40 LEU CB . 18782 1
528 . 1 1 40 40 LEU CG C 13 25.950 0.121 . 1 . 521 . . 40 LEU CG . 18782 1
529 . 1 1 40 40 LEU CD2 C 13 23.597 0.046 . 1 . 607 . . 40 LEU CD2 . 18782 1
530 . 1 1 40 40 LEU N N 15 120.829 0.045 . 1 . 80 . . 40 LEU N . 18782 1
531 . 1 1 41 41 ASP H H 1 8.578 0.017 . 1 . 16 . . 41 ASP H . 18782 1
532 . 1 1 41 41 ASP HA H 1 4.359 0.009 . 1 . 17 . . 41 ASP HA . 18782 1
533 . 1 1 41 41 ASP HB2 H 1 2.628 0.014 . 2 . 259 . . 41 ASP HB2 . 18782 1
534 . 1 1 41 41 ASP HB3 H 1 2.896 0.011 . 2 . 261 . . 41 ASP HB3 . 18782 1
535 . 1 1 41 41 ASP C C 13 177.834 . . 1 . 486 . . 41 ASP C . 18782 1
536 . 1 1 41 41 ASP CA C 13 57.934 0.054 . 1 . 202 . . 41 ASP CA . 18782 1
537 . 1 1 41 41 ASP CB C 13 39.979 0.083 . 1 . 260 . . 41 ASP CB . 18782 1
538 . 1 1 41 41 ASP N N 15 120.723 0.05 . 1 . 79 . . 41 ASP N . 18782 1
539 . 1 1 42 42 GLU H H 1 9.043 0.009 . 1 . 14 . . 42 GLU H . 18782 1
540 . 1 1 42 42 GLU HA H 1 4.046 0.007 . 1 . 197 . . 42 GLU HA . 18782 1
541 . 1 1 42 42 GLU HB2 H 1 2.059 0.011 . 1 . 296 . . 42 GLU HB2 . 18782 1
542 . 1 1 42 42 GLU HG2 H 1 2.317 0.009 . 1 . 531 . . 42 GLU HG2 . 18782 1
543 . 1 1 42 42 GLU HG3 H 1 2.495 0.01 . 1 . 532 . . 42 GLU HG3 . 18782 1
544 . 1 1 42 42 GLU C C 13 176.926 . . 1 . 478 . . 42 GLU C . 18782 1
545 . 1 1 42 42 GLU CA C 13 59.465 0.069 . 1 . 201 . . 42 GLU CA . 18782 1
546 . 1 1 42 42 GLU CB C 13 29.413 0.053 . 1 . 321 . . 42 GLU CB . 18782 1
547 . 1 1 42 42 GLU CG C 13 37.199 0.073 . 1 . 489 . . 42 GLU CG . 18782 1
548 . 1 1 42 42 GLU N N 15 120.066 0.047 . 1 . 78 . . 42 GLU N . 18782 1
549 . 1 1 43 43 GLU H H 1 7.674 0.006 . 1 . 81 . . 43 GLU H . 18782 1
550 . 1 1 43 43 GLU HA H 1 4.841 0.02 . 1 . 188 . . 43 GLU HA . 18782 1
551 . 1 1 43 43 GLU HB2 H 1 2.041 0.019 . 1 . 342 . . 43 GLU HB2 . 18782 1
552 . 1 1 43 43 GLU HB3 H 1 2.037 0.016 . 1 . 341 . . 43 GLU HB3 . 18782 1
553 . 1 1 43 43 GLU HG2 H 1 2.261 0.014 . 2 . 529 . . 43 GLU HG2 . 18782 1
554 . 1 1 43 43 GLU HG3 H 1 2.465 0.009 . 2 . 530 . . 43 GLU HG3 . 18782 1
555 . 1 1 43 43 GLU C C 13 175.723 . . 1 . 467 . . 43 GLU C . 18782 1
556 . 1 1 43 43 GLU CA C 13 58.204 0.083 . 1 . 199 . . 43 GLU CA . 18782 1
557 . 1 1 43 43 GLU CB C 13 28.677 0.096 . 1 . 316 . . 43 GLU CB . 18782 1
558 . 1 1 43 43 GLU CG C 13 34.306 0.083 . 1 . 500 . . 43 GLU CG . 18782 1
559 . 1 1 43 43 GLU N N 15 123.046 0.04 . 1 . 82 . . 43 GLU N . 18782 1
560 . 1 1 44 44 ILE H H 1 8.661 0.008 . 1 . 13 . . 44 ILE H . 18782 1
561 . 1 1 44 44 ILE HA H 1 3.263 0.01 . 1 . 235 . . 44 ILE HA . 18782 1
562 . 1 1 44 44 ILE HB H 1 1.924 0.009 . 1 . 245 . . 44 ILE HB . 18782 1
563 . 1 1 44 44 ILE HG12 H 1 0.688 0.026 . 2 . 624 . . 44 ILE HG12 . 18782 1
564 . 1 1 44 44 ILE HG13 H 1 1.778 0.014 . 2 . 250 . . 44 ILE HG13 . 18782 1
565 . 1 1 44 44 ILE HG21 H 1 0.841 0.007 . 1 . 248 . . 44 ILE HG21 . 18782 1
566 . 1 1 44 44 ILE HG22 H 1 0.841 0.007 . 1 . 248 . . 44 ILE HG22 . 18782 1
567 . 1 1 44 44 ILE HG23 H 1 0.841 0.007 . 1 . 248 . . 44 ILE HG23 . 18782 1
568 . 1 1 44 44 ILE HD11 H 1 0.848 0.008 . 1 . 246 . . 44 ILE HD11 . 18782 1
569 . 1 1 44 44 ILE HD12 H 1 0.848 0.008 . 1 . 246 . . 44 ILE HD12 . 18782 1
570 . 1 1 44 44 ILE HD13 H 1 0.848 0.008 . 1 . 246 . . 44 ILE HD13 . 18782 1
571 . 1 1 44 44 ILE C C 13 175.171 . . 1 . 444 . . 44 ILE C . 18782 1
572 . 1 1 44 44 ILE CA C 13 66.839 0.072 . 1 . 198 . . 44 ILE CA . 18782 1
573 . 1 1 44 44 ILE CB C 13 38.238 0.037 . 1 . 244 . . 44 ILE CB . 18782 1
574 . 1 1 44 44 ILE CG1 C 13 32.746 0.066 . 1 . 251 . . 44 ILE CG1 . 18782 1
575 . 1 1 44 44 ILE CG2 C 13 17.122 0.046 . 1 . 249 . . 44 ILE CG2 . 18782 1
576 . 1 1 44 44 ILE CD1 C 13 13.834 0.026 . 1 . 247 . . 44 ILE CD1 . 18782 1
577 . 1 1 44 44 ILE N N 15 120.612 0.046 . 1 . 189 . . 44 ILE N . 18782 1
578 . 1 1 45 45 SER H H 1 8.149 0.007 . 1 . 11 . . 45 SER H . 18782 1
579 . 1 1 45 45 SER HA H 1 4.094 0.011 . 1 . 12 . . 45 SER HA . 18782 1
580 . 1 1 45 45 SER HB2 H 1 3.951 0.006 . 1 . 153 . . 45 SER HB2 . 18782 1
581 . 1 1 45 45 SER C C 13 174.422 . . 1 . 470 . . 45 SER C . 18782 1
582 . 1 1 45 45 SER CA C 13 62.050 0.057 . 1 . 266 . . 45 SER CA . 18782 1
583 . 1 1 45 45 SER CB C 13 62.863 0.082 . 1 . 320 . . 45 SER CB . 18782 1
584 . 1 1 45 45 SER N N 15 112.496 0.051 . 1 . 190 . . 45 SER N . 18782 1
585 . 1 1 46 46 ARG H H 1 7.959 0.01 . 1 . 127 . . 46 ARG H . 18782 1
586 . 1 1 46 46 ARG HA H 1 3.978 0.018 . 1 . 128 . . 46 ARG HA . 18782 1
587 . 1 1 46 46 ARG HB2 H 1 2.024 0.024 . 1 . 340 . . 46 ARG HB2 . 18782 1
588 . 1 1 46 46 ARG HB3 H 1 2.024 0.024 . 1 . 339 . . 46 ARG HB3 . 18782 1
589 . 1 1 46 46 ARG HG2 H 1 1.640 0.01 . 1 . 540 . . 46 ARG HG2 . 18782 1
590 . 1 1 46 46 ARG HG3 H 1 1.780 . . 1 . 626 . . 46 ARG HG3 . 18782 1
591 . 1 1 46 46 ARG HD2 H 1 3.105 0.009 . 2 . 627 . . 46 ARG HD2 . 18782 1
592 . 1 1 46 46 ARG HD3 H 1 3.375 0.001 . 2 . 628 . . 46 ARG HD3 . 18782 1
593 . 1 1 46 46 ARG HE H 1 7.888 0.004 . 1 . 598 . . 46 ARG HE . 18782 1
594 . 1 1 46 46 ARG HH12 H 1 7.033 . . 1 . 630 . . 46 ARG HH12 . 18782 1
595 . 1 1 46 46 ARG HH22 H 1 7.033 . . 1 . 629 . . 46 ARG HH22 . 18782 1
596 . 1 1 46 46 ARG C C 13 176.118 . . 1 . 468 . . 46 ARG C . 18782 1
597 . 1 1 46 46 ARG CA C 13 59.669 0.068 . 1 . 171 . . 46 ARG CA . 18782 1
598 . 1 1 46 46 ARG CB C 13 30.505 0.074 . 1 . 315 . . 46 ARG CB . 18782 1
599 . 1 1 46 46 ARG CG C 13 27.898 0.104 . 1 . 496 . . 46 ARG CG . 18782 1
600 . 1 1 46 46 ARG CD C 13 43.471 0.06 . 1 . 599 . . 46 ARG CD . 18782 1
601 . 1 1 46 46 ARG CZ C 13 157.167 . . 1 . 641 . . 46 ARG CZ . 18782 1
602 . 1 1 46 46 ARG N N 15 121.714 0.041 . 1 . 126 . . 46 ARG N . 18782 1
603 . 1 1 46 46 ARG NE N 15 115.562 0.05 . 1 . 597 . . 46 ARG NE . 18782 1
604 . 1 1 47 47 VAL H H 1 8.393 0.009 . 1 . 66 . . 47 VAL H . 18782 1
605 . 1 1 47 47 VAL HA H 1 3.522 0.008 . 1 . 67 . . 47 VAL HA . 18782 1
606 . 1 1 47 47 VAL HB H 1 2.021 0.01 . 1 . 70 . . 47 VAL HB . 18782 1
607 . 1 1 47 47 VAL HG11 H 1 0.866 0.016 . 2 . 69 . . 47 VAL HG11 . 18782 1
608 . 1 1 47 47 VAL HG12 H 1 0.866 0.016 . 2 . 69 . . 47 VAL HG12 . 18782 1
609 . 1 1 47 47 VAL HG13 H 1 0.866 0.016 . 2 . 69 . . 47 VAL HG13 . 18782 1
610 . 1 1 47 47 VAL HG21 H 1 0.989 0.008 . 2 . 68 . . 47 VAL HG21 . 18782 1
611 . 1 1 47 47 VAL HG22 H 1 0.989 0.008 . 2 . 68 . . 47 VAL HG22 . 18782 1
612 . 1 1 47 47 VAL HG23 H 1 0.989 0.008 . 2 . 68 . . 47 VAL HG23 . 18782 1
613 . 1 1 47 47 VAL C C 13 175.237 . . 1 . 460 . . 47 VAL C . 18782 1
614 . 1 1 47 47 VAL CA C 13 66.434 0.045 . 1 . 172 . . 47 VAL CA . 18782 1
615 . 1 1 47 47 VAL CB C 13 31.515 0.077 . 1 . 241 . . 47 VAL CB . 18782 1
616 . 1 1 47 47 VAL CG1 C 13 22.734 0.068 . 2 . 243 . . 47 VAL CG1 . 18782 1
617 . 1 1 47 47 VAL CG2 C 13 24.874 0.029 . 2 . 242 . . 47 VAL CG2 . 18782 1
618 . 1 1 47 47 VAL N N 15 119.517 0.042 . 1 . 125 . . 47 VAL N . 18782 1
619 . 1 1 48 48 ARG H H 1 8.451 0.01 . 1 . 123 . . 48 ARG H . 18782 1
620 . 1 1 48 48 ARG HA H 1 3.937 0.011 . 1 . 72 . . 48 ARG HA . 18782 1
621 . 1 1 48 48 ARG HB2 H 1 1.882 0.01 . 1 . 287 . . 48 ARG HB2 . 18782 1
622 . 1 1 48 48 ARG HB3 H 1 1.882 0.01 . 1 . 285 . . 48 ARG HB3 . 18782 1
623 . 1 1 48 48 ARG HG2 H 1 1.626 0.014 . 2 . 288 . . 48 ARG HG2 . 18782 1
624 . 1 1 48 48 ARG HG3 H 1 1.886 0.004 . 2 . 596 . . 48 ARG HG3 . 18782 1
625 . 1 1 48 48 ARG HD2 H 1 3.175 0.012 . 1 . 283 . . 48 ARG HD2 . 18782 1
626 . 1 1 48 48 ARG HD3 H 1 3.175 0.012 . 1 . 282 . . 48 ARG HD3 . 18782 1
627 . 1 1 48 48 ARG HE H 1 7.076 0.006 . 1 . 71 . . 48 ARG HE . 18782 1
628 . 1 1 48 48 ARG C C 13 176.370 . . 1 . 452 . . 48 ARG C . 18782 1
629 . 1 1 48 48 ARG CA C 13 59.937 0.078 . 1 . 169 . . 48 ARG CA . 18782 1
630 . 1 1 48 48 ARG CB C 13 30.529 0.056 . 1 . 286 . . 48 ARG CB . 18782 1
631 . 1 1 48 48 ARG CG C 13 28.839 0.077 . 1 . 289 . . 48 ARG CG . 18782 1
632 . 1 1 48 48 ARG CD C 13 43.655 0.055 . 1 . 284 . . 48 ARG CD . 18782 1
633 . 1 1 48 48 ARG CZ C 13 157.246 . . 1 . 640 . . 48 ARG CZ . 18782 1
634 . 1 1 48 48 ARG N N 15 116.770 0.037 . 1 . 124 . . 48 ARG N . 18782 1
635 . 1 1 48 48 ARG NE N 15 115.950 0.028 . 1 . 146 . . 48 ARG NE . 18782 1
636 . 1 1 49 49 LYS H H 1 7.634 0.009 . 1 . 120 . . 49 LYS H . 18782 1
637 . 1 1 49 49 LYS HA H 1 4.112 0.012 . 1 . 122 . . 49 LYS HA . 18782 1
638 . 1 1 49 49 LYS HB2 H 1 1.935 0.011 . 1 . 338 . . 49 LYS HB2 . 18782 1
639 . 1 1 49 49 LYS HB3 H 1 1.935 0.011 . 1 . 337 . . 49 LYS HB3 . 18782 1
640 . 1 1 49 49 LYS HG2 H 1 1.559 0.018 . 1 . 572 . . 49 LYS HG2 . 18782 1
641 . 1 1 49 49 LYS HG3 H 1 1.559 0.018 . 1 . 573 . . 49 LYS HG3 . 18782 1
642 . 1 1 49 49 LYS HD2 H 1 1.711 0.021 . 1 . 524 . . 49 LYS HD2 . 18782 1
643 . 1 1 49 49 LYS HD3 H 1 1.711 0.021 . 1 . 525 . . 49 LYS HD3 . 18782 1
644 . 1 1 49 49 LYS HE2 H 1 3.016 0.016 . 1 . 526 . . 49 LYS HE2 . 18782 1
645 . 1 1 49 49 LYS HE3 H 1 3.016 0.016 . 1 . 527 . . 49 LYS HE3 . 18782 1
646 . 1 1 49 49 LYS C C 13 175.471 . . 1 . 453 . . 49 LYS C . 18782 1
647 . 1 1 49 49 LYS CA C 13 58.613 0.055 . 1 . 170 . . 49 LYS CA . 18782 1
648 . 1 1 49 49 LYS CB C 13 32.348 0.038 . 1 . 314 . . 49 LYS CB . 18782 1
649 . 1 1 49 49 LYS CG C 13 24.825 0.109 . 1 . 495 . . 49 LYS CG . 18782 1
650 . 1 1 49 49 LYS CD C 13 29.326 0.037 . 1 . 494 . . 49 LYS CD . 18782 1
651 . 1 1 49 49 LYS CE C 13 42.168 0.057 . 1 . 528 . . 49 LYS CE . 18782 1
652 . 1 1 49 49 LYS N N 15 117.101 0.035 . 1 . 121 . . 49 LYS N . 18782 1
653 . 1 1 50 50 ASP H H 1 7.835 0.009 . 1 . 116 . . 50 ASP H . 18782 1
654 . 1 1 50 50 ASP HA H 1 4.784 0.01 . 1 . 275 . . 50 ASP HA . 18782 1
655 . 1 1 50 50 ASP HB2 H 1 2.597 0.024 . 2 . 118 . . 50 ASP HB2 . 18782 1
656 . 1 1 50 50 ASP HB3 H 1 2.811 0.004 . 2 . 119 . . 50 ASP HB3 . 18782 1
657 . 1 1 50 50 ASP C C 13 174.166 . . 1 . 450 . . 50 ASP C . 18782 1
658 . 1 1 50 50 ASP CA C 13 55.075 0.068 . 1 . 168 . . 50 ASP CA . 18782 1
659 . 1 1 50 50 ASP CB C 13 41.456 0.082 . 1 . 313 . . 50 ASP CB . 18782 1
660 . 1 1 50 50 ASP N N 15 117.471 0.055 . 1 . 117 . . 50 ASP N . 18782 1
661 . 1 1 51 51 MET H H 1 7.602 0.006 . 1 . 29 . . 51 MET H . 18782 1
662 . 1 1 51 51 MET HA H 1 4.298 0.009 . 1 . 30 . . 51 MET HA . 18782 1
663 . 1 1 51 51 MET HB2 H 1 1.932 0.018 . 1 . 115 . . 51 MET HB2 . 18782 1
664 . 1 1 51 51 MET HB3 H 1 1.891 0.026 . 1 . 114 . . 51 MET HB3 . 18782 1
665 . 1 1 51 51 MET HG2 H 1 2.390 0.009 . 1 . 31 . . 51 MET HG2 . 18782 1
666 . 1 1 51 51 MET HG3 H 1 2.390 0.009 . 1 . 113 . . 51 MET HG3 . 18782 1
667 . 1 1 51 51 MET HE1 H 1 1.901 0.005 . 1 . 535 . . 51 MET HE1 . 18782 1
668 . 1 1 51 51 MET HE2 H 1 1.901 0.005 . 1 . 535 . . 51 MET HE2 . 18782 1
669 . 1 1 51 51 MET HE3 H 1 1.901 0.005 . 1 . 535 . . 51 MET HE3 . 18782 1
670 . 1 1 51 51 MET C C 13 172.621 . . 1 . 481 . . 51 MET C . 18782 1
671 . 1 1 51 51 MET CA C 13 56.797 0.055 . 1 . 234 . . 51 MET CA . 18782 1
672 . 1 1 51 51 MET CB C 13 33.852 0.05 . 1 . 322 . . 51 MET CB . 18782 1
673 . 1 1 51 51 MET CG C 13 31.539 0.079 . 1 . 490 . . 51 MET CG . 18782 1
674 . 1 1 51 51 MET CE C 13 16.888 0.075 . 1 . 536 . . 51 MET CE . 18782 1
675 . 1 1 51 51 MET N N 15 118.124 0.038 . 1 . 112 . . 51 MET N . 18782 1
676 . 1 1 52 52 TYR H H 1 7.563 0.007 . 1 . 110 . . 52 TYR H . 18782 1
677 . 1 1 52 52 TYR HA H 1 4.470 0.008 . 1 . 28 . . 52 TYR HA . 18782 1
678 . 1 1 52 52 TYR HB2 H 1 2.914 0.005 . 2 . 32 . . 52 TYR HB2 . 18782 1
679 . 1 1 52 52 TYR HB3 H 1 3.156 0.006 . 2 . 33 . . 52 TYR HB3 . 18782 1
680 . 1 1 52 52 TYR HD1 H 1 7.202 0.007 . 3 . 64 . . 52 TYR HD1 . 18782 1
681 . 1 1 52 52 TYR HD2 H 1 7.202 0.007 . 3 . 65 . . 52 TYR HD2 . 18782 1
682 . 1 1 52 52 TYR HE1 H 1 6.842 0.008 . 3 . 62 . . 52 TYR HE1 . 18782 1
683 . 1 1 52 52 TYR HE2 H 1 6.842 0.008 . 3 . 63 . . 52 TYR HE2 . 18782 1
684 . 1 1 52 52 TYR CA C 13 59.210 0.047 . 1 . 167 . . 52 TYR CA . 18782 1
685 . 1 1 52 52 TYR CB C 13 39.636 0.033 . 1 . 352 . . 52 TYR CB . 18782 1
686 . 1 1 52 52 TYR CD1 C 13 133.272 0.062 . 3 . 209 . . 52 TYR CD1 . 18782 1
687 . 1 1 52 52 TYR CD2 C 13 133.272 0.062 . 3 . 210 . . 52 TYR CD2 . 18782 1
688 . 1 1 52 52 TYR CE1 C 13 118.019 0.026 . 3 . 207 . . 52 TYR CE1 . 18782 1
689 . 1 1 52 52 TYR CE2 C 13 118.019 0.026 . 3 . 208 . . 52 TYR CE2 . 18782 1
690 . 1 1 52 52 TYR N N 15 124.656 0.04 . 1 . 111 . . 52 TYR N . 18782 1
stop_
save_