Content for NMR-STAR saveframe, "assigned_chem_shift_list_1"
save_assigned_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 27747
_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 .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '2D 1H-15N HSQC' . . . 27747 1
3 '3D HNCACB' . . . 27747 1
4 '3D HNCO' . . . 27747 1
6 '3D (H)C(CCO)NH' . . . 27747 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 3 3 MET H H 1 8.483 0.007 . 1 . . . . . 487 MET H . 27747 1
2 . 1 1 3 3 MET N N 15 120.917 0.107 . 1 . . . . . 487 MET N . 27747 1
3 . 1 1 4 4 GLY H H 1 8.312 0.005 . 1 . . . . . 488 GLY H . 27747 1
4 . 1 1 4 4 GLY N N 15 109.700 0.018 . 1 . . . . . 488 GLY N . 27747 1
5 . 1 1 5 5 ASN H H 1 8.650 0.003 . 1 . . . . . 489 ASN H . 27747 1
6 . 1 1 5 5 ASN HD21 H 1 7.770 0.000 . 1 . . . . . 489 ASN HD21 . 27747 1
7 . 1 1 5 5 ASN N N 15 119.857 0.014 . 1 . . . . . 489 ASN N . 27747 1
8 . 1 1 5 5 ASN ND2 N 15 112.103 0.000 . 1 . . . . . 489 ASN ND2 . 27747 1
9 . 1 1 6 6 SER H H 1 8.857 0.003 . 1 . . . . . 490 SER H . 27747 1
10 . 1 1 6 6 SER N N 15 118.229 0.008 . 1 . . . . . 490 SER N . 27747 1
11 . 1 1 7 7 GLU H H 1 8.664 0.002 . 1 . . . . . 491 GLU H . 27747 1
12 . 1 1 7 7 GLU N N 15 123.664 0.011 . 1 . . . . . 491 GLU N . 27747 1
13 . 1 1 8 8 ALA H H 1 8.167 0.002 . 1 . . . . . 492 ALA H . 27747 1
14 . 1 1 8 8 ALA N N 15 122.430 0.012 . 1 . . . . . 492 ALA N . 27747 1
15 . 1 1 9 9 ASP H H 1 7.783 0.002 . 1 . . . . . 493 ASP H . 27747 1
16 . 1 1 9 9 ASP N N 15 120.801 0.013 . 1 . . . . . 493 ASP N . 27747 1
17 . 1 1 10 10 ARG H H 1 8.038 0.002 . 1 . . . . . 494 ARG H . 27747 1
18 . 1 1 10 10 ARG HE H 1 7.510 0.002 . 1 . . . . . 494 ARG HE . 27747 1
19 . 1 1 10 10 ARG N N 15 119.719 0.009 . 1 . . . . . 494 ARG N . 27747 1
20 . 1 1 10 10 ARG NE N 15 84.070 0.574 . 1 . . . . . 494 ARG NE . 27747 1
21 . 1 1 11 11 GLN H H 1 8.199 0.002 . 1 . . . . . 495 GLN H . 27747 1
22 . 1 1 11 11 GLN HE21 H 1 6.622 0.000 . 1 . . . . . 495 GLN HE21 . 27747 1
23 . 1 1 11 11 GLN HE22 H 1 7.405 0.000 . 1 . . . . . 495 GLN HE22 . 27747 1
24 . 1 1 11 11 GLN N N 15 117.872 0.016 . 1 . . . . . 495 GLN N . 27747 1
25 . 1 1 11 11 GLN NE2 N 15 111.218 0.000 . 1 . . . . . 495 GLN NE2 . 27747 1
26 . 1 1 12 12 LEU H H 1 8.184 0.012 . 1 . . . . . 496 LEU H . 27747 1
27 . 1 1 12 12 LEU N N 15 124.398 0.026 . 1 . . . . . 496 LEU N . 27747 1
28 . 1 1 13 13 LEU H H 1 8.331 0.006 . 1 . . . . . 497 LEU H . 27747 1
29 . 1 1 13 13 LEU N N 15 121.237 0.015 . 1 . . . . . 497 LEU N . 27747 1
30 . 1 1 14 14 GLU H H 1 8.035 0.001 . 1 . . . . . 498 GLU H . 27747 1
31 . 1 1 14 14 GLU N N 15 116.513 0.014 . 1 . . . . . 498 GLU N . 27747 1
32 . 1 1 15 15 ALA H H 1 8.231 0.002 . 1 . . . . . 499 ALA H . 27747 1
33 . 1 1 15 15 ALA N N 15 123.726 0.012 . 1 . . . . . 499 ALA N . 27747 1
34 . 1 1 16 16 ALA H H 1 8.448 0.002 . 1 . . . . . 500 ALA H . 27747 1
35 . 1 1 16 16 ALA N N 15 122.144 0.014 . 1 . . . . . 500 ALA N . 27747 1
36 . 1 1 17 17 LYS H H 1 7.334 0.001 . 1 . . . . . 501 LYS H . 27747 1
37 . 1 1 17 17 LYS N N 15 115.400 0.013 . 1 . . . . . 501 LYS N . 27747 1
38 . 1 1 18 18 ALA H H 1 7.760 0.002 . 1 . . . . . 502 ALA H . 27747 1
39 . 1 1 18 18 ALA N N 15 118.146 0.014 . 1 . . . . . 502 ALA N . 27747 1
40 . 1 1 19 19 GLY H H 1 7.657 0.002 . 1 . . . . . 503 GLY H . 27747 1
41 . 1 1 19 19 GLY N N 15 106.581 0.019 . 1 . . . . . 503 GLY N . 27747 1
42 . 1 1 20 20 ASP H H 1 8.135 0.002 . 1 . . . . . 504 ASP H . 27747 1
43 . 1 1 20 20 ASP N N 15 120.570 0.009 . 1 . . . . . 504 ASP N . 27747 1
44 . 1 1 21 21 VAL H H 1 7.756 0.002 . 1 . . . . . 505 VAL H . 27747 1
45 . 1 1 21 21 VAL N N 15 126.354 0.013 . 1 . . . . . 505 VAL N . 27747 1
46 . 1 1 22 22 GLU H H 1 8.360 0.002 . 1 . . . . . 506 GLU H . 27747 1
47 . 1 1 22 22 GLU N N 15 120.481 0.015 . 1 . . . . . 506 GLU N . 27747 1
48 . 1 1 23 23 THR H H 1 7.300 0.002 . 1 . . . . . 507 THR H . 27747 1
49 . 1 1 23 23 THR N N 15 118.827 0.015 . 1 . . . . . 507 THR N . 27747 1
50 . 1 1 24 24 VAL H H 1 7.618 0.002 . 1 . . . . . 508 VAL H . 27747 1
51 . 1 1 24 24 VAL N N 15 122.169 0.013 . 1 . . . . . 508 VAL N . 27747 1
52 . 1 1 25 25 LYS H H 1 8.064 0.002 . 1 . . . . . 509 LYS H . 27747 1
53 . 1 1 25 25 LYS N N 15 117.338 0.021 . 1 . . . . . 509 LYS N . 27747 1
54 . 1 1 26 26 LYS H H 1 7.139 0.001 . 1 . . . . . 510 LYS H . 27747 1
55 . 1 1 26 26 LYS N N 15 117.649 0.013 . 1 . . . . . 510 LYS N . 27747 1
56 . 1 1 27 27 LEU H H 1 7.454 0.001 . 1 . . . . . 511 LEU H . 27747 1
57 . 1 1 27 27 LEU N N 15 115.654 0.010 . 1 . . . . . 511 LEU N . 27747 1
58 . 1 1 28 28 CYS H H 1 8.166 0.001 . 1 . . . . . 512 CYS H . 27747 1
59 . 1 1 28 28 CYS N N 15 121.769 0.034 . 1 . . . . . 512 CYS N . 27747 1
60 . 1 1 29 29 THR H H 1 8.371 0.005 . 1 . . . . . 513 THR H . 27747 1
61 . 1 1 29 29 THR N N 15 123.265 0.274 . 1 . . . . . 513 THR N . 27747 1
62 . 1 1 30 30 VAL H H 1 8.720 0.001 . 1 . . . . . 514 VAL H . 27747 1
63 . 1 1 30 30 VAL N N 15 119.290 0.003 . 1 . . . . . 514 VAL N . 27747 1
64 . 1 1 31 31 GLN H H 1 7.815 0.002 . 1 . . . . . 515 GLN H . 27747 1
65 . 1 1 31 31 GLN HE21 H 1 6.878 0.000 . 1 . . . . . 515 GLN HE21 . 27747 1
66 . 1 1 31 31 GLN HE22 H 1 7.580 0.000 . 1 . . . . . 515 GLN HE22 . 27747 1
67 . 1 1 31 31 GLN N N 15 116.787 0.018 . 1 . . . . . 515 GLN N . 27747 1
68 . 1 1 31 31 GLN NE2 N 15 112.929 0.000 . 1 . . . . . 515 GLN NE2 . 27747 1
69 . 1 1 32 32 SER H H 1 8.117 0.002 . 1 . . . . . 516 SER H . 27747 1
70 . 1 1 32 32 SER N N 15 116.930 0.019 . 1 . . . . . 516 SER N . 27747 1
71 . 1 1 33 33 VAL H H 1 8.113 0.012 . 1 . . . . . 517 VAL H . 27747 1
72 . 1 1 33 33 VAL N N 15 122.799 0.022 . 1 . . . . . 517 VAL N . 27747 1
73 . 1 1 34 34 ASN H H 1 7.635 0.002 . 1 . . . . . 518 ASN H . 27747 1
74 . 1 1 34 34 ASN HD21 H 1 7.744 0.000 . 1 . . . . . 518 ASN HD21 . 27747 1
75 . 1 1 34 34 ASN HD22 H 1 6.503 0.000 . 1 . . . . . 518 ASN HD22 . 27747 1
76 . 1 1 34 34 ASN N N 15 116.328 0.013 . 1 . . . . . 518 ASN N . 27747 1
77 . 1 1 34 34 ASN ND2 N 15 114.664 0.000 . 1 . . . . . 518 ASN ND2 . 27747 1
78 . 1 1 35 35 CYS H H 1 7.499 0.002 . 1 . . . . . 519 CYS H . 27747 1
79 . 1 1 35 35 CYS N N 15 118.411 0.012 . 1 . . . . . 519 CYS N . 27747 1
80 . 1 1 36 36 ARG H H 1 7.846 0.002 . 1 . . . . . 520 ARG H . 27747 1
81 . 1 1 36 36 ARG N N 15 113.265 0.011 . 1 . . . . . 520 ARG N . 27747 1
82 . 1 1 37 37 ASP H H 1 8.679 0.006 . 1 . . . . . 521 ASP H . 27747 1
83 . 1 1 37 37 ASP N N 15 120.289 0.025 . 1 . . . . . 521 ASP N . 27747 1
84 . 1 1 38 38 ILE H H 1 8.216 0.002 . 1 . . . . . 522 ILE H . 27747 1
85 . 1 1 38 38 ILE N N 15 126.776 0.013 . 1 . . . . . 522 ILE N . 27747 1
86 . 1 1 39 39 GLU H H 1 8.064 0.002 . 1 . . . . . 523 GLU H . 27747 1
87 . 1 1 39 39 GLU N N 15 119.792 0.012 . 1 . . . . . 523 GLU N . 27747 1
88 . 1 1 40 40 GLY H H 1 7.591 0.002 . 1 . . . . . 524 GLY H . 27747 1
89 . 1 1 40 40 GLY N N 15 109.186 0.010 . 1 . . . . . 524 GLY N . 27747 1
90 . 1 1 42 42 GLN H H 1 8.357 0.002 . 1 . . . . . 526 GLN H . 27747 1
91 . 1 1 42 42 GLN HE21 H 1 6.696 0.000 . 1 . . . . . 526 GLN HE21 . 27747 1
92 . 1 1 42 42 GLN HE22 H 1 7.376 0.000 . 1 . . . . . 526 GLN HE22 . 27747 1
93 . 1 1 42 42 GLN N N 15 113.122 0.012 . 1 . . . . . 526 GLN N . 27747 1
94 . 1 1 42 42 GLN NE2 N 15 111.782 0.000 . 1 . . . . . 526 GLN NE2 . 27747 1
95 . 1 1 43 43 SER H H 1 7.429 0.002 . 1 . . . . . 527 SER H . 27747 1
96 . 1 1 43 43 SER N N 15 112.667 0.018 . 1 . . . . . 527 SER N . 27747 1
97 . 1 1 44 44 THR H H 1 8.213 0.004 . 1 . . . . . 528 THR H . 27747 1
98 . 1 1 44 44 THR N N 15 115.105 0.020 . 1 . . . . . 528 THR N . 27747 1
99 . 1 1 46 46 LEU H H 1 8.897 0.003 . 1 . . . . . 530 LEU H . 27747 1
100 . 1 1 46 46 LEU N N 15 117.299 0.013 . 1 . . . . . 530 LEU N . 27747 1
101 . 1 1 47 47 HIS H H 1 7.899 0.002 . 1 . . . . . 531 HIS H . 27747 1
102 . 1 1 47 47 HIS HE2 H 1 12.055 0.004 . 1 . . . . . 531 HIS HE2 . 27747 1
103 . 1 1 47 47 HIS N N 15 118.030 0.014 . 1 . . . . . 531 HIS N . 27747 1
104 . 1 1 47 47 HIS NE2 N 15 169.16 0.566 . 1 . . . . . 531 HIS NE2 . 27747 1
105 . 1 1 48 48 PHE H H 1 7.532 0.001 . 1 . . . . . 532 PHE H . 27747 1
106 . 1 1 48 48 PHE N N 15 118.002 0.013 . 1 . . . . . 532 PHE N . 27747 1
107 . 1 1 49 49 ALA H H 1 8.969 0.003 . 1 . . . . . 533 ALA H . 27747 1
108 . 1 1 49 49 ALA N N 15 121.668 0.005 . 1 . . . . . 533 ALA N . 27747 1
109 . 1 1 50 50 ALA H H 1 8.399 0.001 . 1 . . . . . 534 ALA H . 27747 1
110 . 1 1 50 50 ALA N N 15 117.604 0.011 . 1 . . . . . 534 ALA N . 27747 1
111 . 1 1 51 51 GLY H H 1 8.226 0.003 . 1 . . . . . 535 GLY H . 27747 1
112 . 1 1 51 51 GLY N N 15 103.475 0.022 . 1 . . . . . 535 GLY N . 27747 1
113 . 1 1 52 52 TYR H H 1 7.823 0.002 . 1 . . . . . 536 TYR H . 27747 1
114 . 1 1 52 52 TYR N N 15 115.946 0.015 . 1 . . . . . 536 TYR N . 27747 1
115 . 1 1 53 53 ASN H H 1 7.349 0.001 . 1 . . . . . 537 ASN H . 27747 1
116 . 1 1 53 53 ASN HD21 H 1 6.563 0.000 . 1 . . . . . 537 ASN HD21 . 27747 1
117 . 1 1 53 53 ASN HD22 H 1 7.119 0.000 . 1 . . . . . 537 ASN HD22 . 27747 1
118 . 1 1 53 53 ASN N N 15 117.346 0.016 . 1 . . . . . 537 ASN N . 27747 1
119 . 1 1 53 53 ASN ND2 N 15 107.053 0.000 . 1 . . . . . 537 ASN ND2 . 27747 1
120 . 1 1 54 54 ARG H H 1 8.774 0.003 . 1 . . . . . 538 ARG H . 27747 1
121 . 1 1 54 54 ARG HE H 1 6.654 0.002 . 1 . . . . . 538 ARG HE . 27747 1
122 . 1 1 54 54 ARG N N 15 117.567 0.014 . 1 . . . . . 538 ARG N . 27747 1
123 . 1 1 54 54 ARG NE N 15 86.051 0.565 . 1 . . . . . 538 ARG NE . 27747 1
124 . 1 1 55 55 VAL H H 1 7.490 0.001 . 1 . . . . . 539 VAL H . 27747 1
125 . 1 1 55 55 VAL N N 15 123.554 0.013 . 1 . . . . . 539 VAL N . 27747 1
126 . 1 1 56 56 SER H H 1 8.548 0.002 . 1 . . . . . 540 SER H . 27747 1
127 . 1 1 56 56 SER N N 15 114.085 0.018 . 1 . . . . . 540 SER N . 27747 1
128 . 1 1 57 57 VAL H H 1 7.148 0.002 . 1 . . . . . 541 VAL H . 27747 1
129 . 1 1 57 57 VAL N N 15 122.664 0.018 . 1 . . . . . 541 VAL N . 27747 1
130 . 1 1 58 58 VAL H H 1 8.557 0.002 . 1 . . . . . 542 VAL H . 27747 1
131 . 1 1 58 58 VAL N N 15 121.668 0.010 . 1 . . . . . 542 VAL N . 27747 1
132 . 1 1 59 59 GLU H H 1 8.359 0.011 . 1 . . . . . 543 GLU H . 27747 1
133 . 1 1 59 59 GLU N N 15 117.310 0.027 . 1 . . . . . 543 GLU N . 27747 1
134 . 1 1 60 60 TYR H H 1 7.554 0.002 . 1 . . . . . 544 TYR H . 27747 1
135 . 1 1 60 60 TYR N N 15 118.748 0.008 . 1 . . . . . 544 TYR N . 27747 1
136 . 1 1 61 61 LEU H H 1 9.063 0.003 . 1 . . . . . 545 LEU H . 27747 1
137 . 1 1 61 61 LEU N N 15 119.766 0.028 . 1 . . . . . 545 LEU N . 27747 1
138 . 1 1 62 62 LEU H H 1 8.334 0.002 . 1 . . . . . 546 LEU H . 27747 1
139 . 1 1 62 62 LEU N N 15 119.352 0.020 . 1 . . . . . 546 LEU N . 27747 1
140 . 1 1 63 63 GLN H H 1 7.499 0.001 . 1 . . . . . 547 GLN H . 27747 1
141 . 1 1 63 63 GLN HE21 H 1 6.759 0.000 . 1 . . . . . 547 GLN HE21 . 27747 1
142 . 1 1 63 63 GLN HE22 H 1 7.423 0.000 . 1 . . . . . 547 GLN HE22 . 27747 1
143 . 1 1 63 63 GLN N N 15 117.219 0.013 . 1 . . . . . 547 GLN N . 27747 1
144 . 1 1 63 63 GLN NE2 N 15 111.957 0.000 . 1 . . . . . 547 GLN NE2 . 27747 1
145 . 1 1 64 64 HIS H H 1 7.406 0.002 . 1 . . . . . 548 HIS H . 27747 1
146 . 1 1 64 64 HIS N N 15 117.161 0.006 . 1 . . . . . 548 HIS N . 27747 1
147 . 1 1 65 65 GLY H H 1 7.388 0.002 . 1 . . . . . 549 GLY H . 27747 1
148 . 1 1 65 65 GLY N N 15 103.949 0.025 . 1 . . . . . 549 GLY N . 27747 1
149 . 1 1 66 66 ALA H H 1 7.964 0.002 . 1 . . . . . 550 ALA H . 27747 1
150 . 1 1 66 66 ALA N N 15 123.527 0.010 . 1 . . . . . 550 ALA N . 27747 1
151 . 1 1 67 67 ASP H H 1 9.018 0.004 . 1 . . . . . 551 ASP H . 27747 1
152 . 1 1 67 67 ASP N N 15 121.670 0.011 . 1 . . . . . 551 ASP N . 27747 1
153 . 1 1 68 68 VAL H H 1 8.449 0.003 . 1 . . . . . 552 VAL H . 27747 1
154 . 1 1 68 68 VAL N N 15 125.093 0.025 . 1 . . . . . 552 VAL N . 27747 1
155 . 1 1 69 69 HIS H H 1 7.970 0.001 . 1 . . . . . 553 HIS H . 27747 1
156 . 1 1 69 69 HIS N N 15 118.047 0.008 . 1 . . . . . 553 HIS N . 27747 1
157 . 1 1 70 70 ALA H H 1 6.748 0.001 . 1 . . . . . 554 ALA H . 27747 1
158 . 1 1 70 70 ALA N N 15 124.326 0.014 . 1 . . . . . 554 ALA N . 27747 1
159 . 1 1 71 71 LYS H H 1 8.554 0.003 . 1 . . . . . 555 LYS H . 27747 1
160 . 1 1 71 71 LYS N N 15 120.394 0.008 . 1 . . . . . 555 LYS N . 27747 1
161 . 1 1 72 72 ASP H H 1 8.656 0.002 . 1 . . . . . 556 ASP H . 27747 1
162 . 1 1 72 72 ASP N N 15 125.316 0.016 . 1 . . . . . 556 ASP N . 27747 1
163 . 1 1 73 73 LYS H H 1 8.400 0.003 . 1 . . . . . 557 LYS H . 27747 1
164 . 1 1 73 73 LYS N N 15 117.406 0.047 . 1 . . . . . 557 LYS N . 27747 1
165 . 1 1 74 74 GLY H H 1 8.247 0.002 . 1 . . . . . 558 GLY H . 27747 1
166 . 1 1 74 74 GLY N N 15 106.725 0.014 . 1 . . . . . 558 GLY N . 27747 1
167 . 1 1 75 75 GLY H H 1 8.339 0.002 . 1 . . . . . 559 GLY H . 27747 1
168 . 1 1 75 75 GLY N N 15 110.108 0.022 . 1 . . . . . 559 GLY N . 27747 1
169 . 1 1 76 76 LEU H H 1 8.354 0.003 . 1 . . . . . 560 LEU H . 27747 1
170 . 1 1 76 76 LEU N N 15 121.278 0.010 . 1 . . . . . 560 LEU N . 27747 1
171 . 1 1 77 77 VAL H H 1 10.283 0.003 . 1 . . . . . 561 VAL H . 27747 1
172 . 1 1 77 77 VAL N N 15 122.420 0.015 . 1 . . . . . 561 VAL N . 27747 1
173 . 1 1 79 79 LEU H H 1 8.587 0.002 . 1 . . . . . 563 LEU H . 27747 1
174 . 1 1 79 79 LEU N N 15 114.696 0.016 . 1 . . . . . 563 LEU N . 27747 1
175 . 1 1 80 80 HIS H H 1 8.119 0.001 . 1 . . . . . 564 HIS H . 27747 1
176 . 1 1 80 80 HIS N N 15 118.983 0.026 . 1 . . . . . 564 HIS N . 27747 1
177 . 1 1 81 81 ASN H H 1 7.129 0.001 . 1 . . . . . 565 ASN H . 27747 1
178 . 1 1 81 81 ASN HD21 H 1 6.825 0.000 . 1 . . . . . 565 ASN HD21 . 27747 1
179 . 1 1 81 81 ASN HD22 H 1 7.140 0.000 . 1 . . . . . 565 ASN HD22 . 27747 1
180 . 1 1 81 81 ASN N N 15 116.035 0.015 . 1 . . . . . 565 ASN N . 27747 1
181 . 1 1 81 81 ASN ND2 N 15 106.615 0.000 . 1 . . . . . 565 ASN ND2 . 27747 1
182 . 1 1 82 82 ALA H H 1 7.811 0.002 . 1 . . . . . 566 ALA H . 27747 1
183 . 1 1 82 82 ALA N N 15 118.608 0.014 . 1 . . . . . 566 ALA N . 27747 1
184 . 1 1 83 83 CYS H H 1 7.646 0.002 . 1 . . . . . 567 CYS H . 27747 1
185 . 1 1 83 83 CYS N N 15 113.906 0.008 . 1 . . . . . 567 CYS N . 27747 1
186 . 1 1 84 84 SER H H 1 8.397 0.002 . 1 . . . . . 568 SER H . 27747 1
187 . 1 1 84 84 SER N N 15 113.421 0.019 . 1 . . . . . 568 SER N . 27747 1
188 . 1 1 85 85 TYR H H 1 6.940 0.001 . 1 . . . . . 569 TYR H . 27747 1
189 . 1 1 85 85 TYR N N 15 112.815 0.016 . 1 . . . . . 569 TYR N . 27747 1
190 . 1 1 86 86 GLY H H 1 7.245 0.002 . 1 . . . . . 570 GLY H . 27747 1
191 . 1 1 86 86 GLY N N 15 107.331 0.017 . 1 . . . . . 570 GLY N . 27747 1
192 . 1 1 87 87 HIS H H 1 8.271 0.004 . 1 . . . . . 571 HIS H . 27747 1
193 . 1 1 87 87 HIS N N 15 122.664 0.010 . 1 . . . . . 571 HIS N . 27747 1
194 . 1 1 88 88 TYR H H 1 8.633 0.002 . 1 . . . . . 572 TYR H . 27747 1
195 . 1 1 88 88 TYR N N 15 128.424 0.012 . 1 . . . . . 572 TYR N . 27747 1
196 . 1 1 89 89 GLU H H 1 9.096 0.002 . 1 . . . . . 573 GLU H . 27747 1
197 . 1 1 89 89 GLU N N 15 118.706 0.014 . 1 . . . . . 573 GLU N . 27747 1
198 . 1 1 90 90 VAL H H 1 7.841 0.003 . 1 . . . . . 574 VAL H . 27747 1
199 . 1 1 90 90 VAL N N 15 117.579 0.018 . 1 . . . . . 574 VAL N . 27747 1
200 . 1 1 91 91 ALA H H 1 8.115 0.008 . 1 . . . . . 575 ALA H . 27747 1
201 . 1 1 91 91 ALA N N 15 122.789 0.050 . 1 . . . . . 575 ALA N . 27747 1
202 . 1 1 92 92 GLU H H 1 8.484 0.002 . 1 . . . . . 576 GLU H . 27747 1
203 . 1 1 92 92 GLU N N 15 117.152 0.013 . 1 . . . . . 576 GLU N . 27747 1
204 . 1 1 93 93 LEU H H 1 7.633 0.002 . 1 . . . . . 577 LEU H . 27747 1
205 . 1 1 93 93 LEU N N 15 120.666 0.016 . 1 . . . . . 577 LEU N . 27747 1
206 . 1 1 94 94 LEU H H 1 8.141 0.002 . 1 . . . . . 578 LEU H . 27747 1
207 . 1 1 94 94 LEU N N 15 117.883 0.016 . 1 . . . . . 578 LEU N . 27747 1
208 . 1 1 95 95 VAL H H 1 8.100 0.002 . 1 . . . . . 579 VAL H . 27747 1
209 . 1 1 95 95 VAL N N 15 119.071 0.017 . 1 . . . . . 579 VAL N . 27747 1
210 . 1 1 96 96 LYS H H 1 8.341 0.002 . 1 . . . . . 580 LYS H . 27747 1
211 . 1 1 96 96 LYS N N 15 123.064 0.009 . 1 . . . . . 580 LYS N . 27747 1
212 . 1 1 97 97 HIS H H 1 7.514 0.001 . 1 . . . . . 581 HIS H . 27747 1
213 . 1 1 97 97 HIS N N 15 117.386 0.026 . 1 . . . . . 581 HIS N . 27747 1
214 . 1 1 98 98 GLY H H 1 7.424 0.001 . 1 . . . . . 582 GLY H . 27747 1
215 . 1 1 98 98 GLY N N 15 104.745 0.018 . 1 . . . . . 582 GLY N . 27747 1
216 . 1 1 99 99 ALA H H 1 8.067 0.001 . 1 . . . . . 583 ALA H . 27747 1
217 . 1 1 99 99 ALA N N 15 122.507 0.010 . 1 . . . . . 583 ALA N . 27747 1
218 . 1 1 101 101 VAL H H 1 8.228 0.004 . 1 . . . . . 585 VAL H . 27747 1
219 . 1 1 101 101 VAL N N 15 120.732 0.110 . 1 . . . . . 585 VAL N . 27747 1
220 . 1 1 102 102 ASN H H 1 7.609 0.002 . 1 . . . . . 586 ASN H . 27747 1
221 . 1 1 102 102 ASN HD21 H 1 6.846 0.000 . 1 . . . . . 586 ASN HD21 . 27747 1
222 . 1 1 102 102 ASN HD22 H 1 7.807 0.000 . 1 . . . . . 586 ASN HD22 . 27747 1
223 . 1 1 102 102 ASN N N 15 118.404 0.012 . 1 . . . . . 586 ASN N . 27747 1
224 . 1 1 102 102 ASN ND2 N 15 115.887 0.000 . 1 . . . . . 586 ASN ND2 . 27747 1
225 . 1 1 103 103 VAL H H 1 6.751 0.001 . 1 . . . . . 587 VAL H . 27747 1
226 . 1 1 103 103 VAL N N 15 120.114 0.012 . 1 . . . . . 587 VAL N . 27747 1
227 . 1 1 104 104 ALA H H 1 8.227 0.002 . 1 . . . . . 588 ALA H . 27747 1
228 . 1 1 104 104 ALA N N 15 125.957 0.013 . 1 . . . . . 588 ALA N . 27747 1
229 . 1 1 105 105 ASP H H 1 8.210 0.003 . 1 . . . . . 589 ASP H . 27747 1
230 . 1 1 105 105 ASP N N 15 122.650 0.013 . 1 . . . . . 589 ASP N . 27747 1
231 . 1 1 106 106 LEU H H 1 7.596 0.002 . 1 . . . . . 590 LEU H . 27747 1
232 . 1 1 106 106 LEU N N 15 117.481 0.017 . 1 . . . . . 590 LEU N . 27747 1
233 . 1 1 107 107 TRP H H 1 8.396 0.002 . 1 . . . . . 591 TRP H . 27747 1
234 . 1 1 107 107 TRP HE1 H 1 9.959 0.003 . 1 . . . . . 591 TRP HE1 . 27747 1
235 . 1 1 107 107 TRP N N 15 122.089 0.014 . 1 . . . . . 591 TRP N . 27747 1
236 . 1 1 107 107 TRP NE1 N 15 128.837 0.008 . 1 . . . . . 591 TRP NE1 . 27747 1
237 . 1 1 108 108 LYS H H 1 8.451 0.002 . 1 . . . . . 592 LYS H . 27747 1
238 . 1 1 108 108 LYS N N 15 114.549 0.015 . 1 . . . . . 592 LYS N . 27747 1
239 . 1 1 109 109 PHE H H 1 9.705 0.004 . 1 . . . . . 593 PHE H . 27747 1
240 . 1 1 109 109 PHE N N 15 121.000 0.014 . 1 . . . . . 593 PHE N . 27747 1
241 . 1 1 110 110 THR H H 1 9.684 0.005 . 1 . . . . . 594 THR H . 27747 1
242 . 1 1 110 110 THR N N 15 122.454 0.012 . 1 . . . . . 594 THR N . 27747 1
243 . 1 1 112 112 LEU H H 1 8.595 0.002 . 1 . . . . . 596 LEU H . 27747 1
244 . 1 1 112 112 LEU N N 15 117.372 0.014 . 1 . . . . . 596 LEU N . 27747 1
245 . 1 1 113 113 HIS H H 1 7.980 0.002 . 1 . . . . . 597 HIS H . 27747 1
246 . 1 1 113 113 HIS HE2 H 1 11.606 0.005 . 1 . . . . . 597 HIS HE2 . 27747 1
247 . 1 1 113 113 HIS N N 15 117.744 0.008 . 1 . . . . . 597 HIS N . 27747 1
248 . 1 1 113 113 HIS NE2 N 15 168.31 0.529 . 1 . . . . . 597 HIS NE2 . 27747 1
249 . 1 1 114 114 GLU H H 1 7.468 0.002 . 1 . . . . . 598 GLU H . 27747 1
250 . 1 1 114 114 GLU N N 15 116.406 0.010 . 1 . . . . . 598 GLU N . 27747 1
251 . 1 1 115 115 ALA H H 1 8.457 0.002 . 1 . . . . . 599 ALA H . 27747 1
252 . 1 1 115 115 ALA N N 15 120.442 0.014 . 1 . . . . . 599 ALA N . 27747 1
253 . 1 1 116 116 ALA H H 1 8.193 0.012 . 1 . . . . . 600 ALA H . 27747 1
254 . 1 1 116 116 ALA N N 15 120.818 0.079 . 1 . . . . . 600 ALA N . 27747 1
255 . 1 1 117 117 ALA H H 1 8.085 0.003 . 1 . . . . . 601 ALA H . 27747 1
256 . 1 1 117 117 ALA N N 15 120.742 0.024 . 1 . . . . . 601 ALA N . 27747 1
257 . 1 1 118 118 LYS H H 1 7.690 0.002 . 1 . . . . . 602 LYS H . 27747 1
258 . 1 1 118 118 LYS N N 15 114.078 0.013 . 1 . . . . . 602 LYS N . 27747 1
259 . 1 1 119 119 GLY H H 1 7.721 0.002 . 1 . . . . . 603 GLY H . 27747 1
260 . 1 1 119 119 GLY N N 15 109.683 0.015 . 1 . . . . . 603 GLY N . 27747 1
261 . 1 1 120 120 LYS H H 1 8.299 0.003 . 1 . . . . . 604 LYS H . 27747 1
262 . 1 1 120 120 LYS N N 15 119.187 0.012 . 1 . . . . . 604 LYS N . 27747 1
263 . 1 1 121 121 TYR H H 1 8.502 0.002 . 1 . . . . . 605 TYR H . 27747 1
264 . 1 1 121 121 TYR N N 15 129.165 0.015 . 1 . . . . . 605 TYR N . 27747 1
265 . 1 1 122 122 GLU H H 1 9.350 0.002 . 1 . . . . . 606 GLU H . 27747 1
266 . 1 1 122 122 GLU N N 15 117.911 0.010 . 1 . . . . . 606 GLU N . 27747 1
267 . 1 1 123 123 ILE H H 1 7.470 0.002 . 1 . . . . . 607 ILE H . 27747 1
268 . 1 1 123 123 ILE N N 15 117.949 0.014 . 1 . . . . . 607 ILE N . 27747 1
269 . 1 1 124 124 CYS H H 1 7.970 0.002 . 1 . . . . . 608 CYS H . 27747 1
270 . 1 1 124 124 CYS N N 15 118.435 0.017 . 1 . . . . . 608 CYS N . 27747 1
271 . 1 1 125 125 LYS H H 1 7.925 0.002 . 1 . . . . . 609 LYS H . 27747 1
272 . 1 1 125 125 LYS N N 15 119.131 0.014 . 1 . . . . . 609 LYS N . 27747 1
273 . 1 1 126 126 LEU H H 1 7.721 0.002 . 1 . . . . . 610 LEU H . 27747 1
274 . 1 1 126 126 LEU N N 15 121.842 0.016 . 1 . . . . . 610 LEU N . 27747 1
275 . 1 1 127 127 LEU H H 1 8.384 0.004 . 1 . . . . . 611 LEU H . 27747 1
276 . 1 1 127 127 LEU N N 15 117.272 0.016 . 1 . . . . . 611 LEU N . 27747 1
277 . 1 1 128 128 LEU H H 1 8.404 0.006 . 1 . . . . . 612 LEU H . 27747 1
278 . 1 1 128 128 LEU N N 15 117.105 0.034 . 1 . . . . . 612 LEU N . 27747 1
279 . 1 1 129 129 GLN H H 1 8.387 0.002 . 1 . . . . . 613 GLN H . 27747 1
280 . 1 1 129 129 GLN HE21 H 1 7.339 0.000 . 1 . . . . . 613 GLN HE21 . 27747 1
281 . 1 1 129 129 GLN HE22 H 1 6.765 0.000 . 1 . . . . . 613 GLN HE22 . 27747 1
282 . 1 1 129 129 GLN N N 15 121.417 0.018 . 1 . . . . . 613 GLN N . 27747 1
283 . 1 1 129 129 GLN NE2 N 15 111.716 0.000 . 1 . . . . . 613 GLN NE2 . 27747 1
284 . 1 1 130 130 HIS H H 1 7.382 0.002 . 1 . . . . . 614 HIS H . 27747 1
285 . 1 1 130 130 HIS N N 15 116.740 0.008 . 1 . . . . . 614 HIS N . 27747 1
286 . 1 1 131 131 GLY H H 1 7.580 0.001 . 1 . . . . . 615 GLY H . 27747 1
287 . 1 1 131 131 GLY N N 15 105.638 0.019 . 1 . . . . . 615 GLY N . 27747 1
288 . 1 1 132 132 ALA H H 1 8.355 0.002 . 1 . . . . . 616 ALA H . 27747 1
289 . 1 1 132 132 ALA N N 15 124.860 0.020 . 1 . . . . . 616 ALA N . 27747 1
290 . 1 1 133 133 ASP H H 1 8.702 0.003 . 1 . . . . . 617 ASP H . 27747 1
291 . 1 1 133 133 ASP N N 15 122.100 0.012 . 1 . . . . . 617 ASP N . 27747 1
292 . 1 1 135 135 THR H H 1 8.646 0.002 . 1 . . . . . 619 THR H . 27747 1
293 . 1 1 135 135 THR N N 15 111.360 0.016 . 1 . . . . . 619 THR N . 27747 1
294 . 1 1 136 136 LYS H H 1 6.476 0.001 . 1 . . . . . 620 LYS H . 27747 1
295 . 1 1 136 136 LYS N N 15 122.113 0.012 . 1 . . . . . 620 LYS N . 27747 1
296 . 1 1 137 137 LYS H H 1 8.519 0.001 . 1 . . . . . 621 LYS H . 27747 1
297 . 1 1 137 137 LYS N N 15 121.989 0.025 . 1 . . . . . 621 LYS N . 27747 1
298 . 1 1 138 138 ASN H H 1 8.159 0.002 . 1 . . . . . 622 ASN H . 27747 1
299 . 1 1 138 138 ASN HD21 H 1 8.330 0.000 . 1 . . . . . 622 ASN HD21 . 27747 1
300 . 1 1 138 138 ASN HD22 H 1 3.594 0.000 . 1 . . . . . 622 ASN HD22 . 27747 1
301 . 1 1 138 138 ASN N N 15 121.467 0.008 . 1 . . . . . 622 ASN N . 27747 1
302 . 1 1 138 138 ASN ND2 N 15 112.736 0.000 . 1 . . . . . 622 ASN ND2 . 27747 1
303 . 1 1 139 139 ARG H H 1 7.965 0.001 . 1 . . . . . 623 ARG H . 27747 1
304 . 1 1 139 139 ARG N N 15 117.662 0.010 . 1 . . . . . 623 ARG N . 27747 1
305 . 1 1 140 140 ASP H H 1 7.122 0.001 . 1 . . . . . 624 ASP H . 27747 1
306 . 1 1 140 140 ASP N N 15 117.354 0.006 . 1 . . . . . 624 ASP N . 27747 1
307 . 1 1 141 141 GLY H H 1 8.028 0.002 . 1 . . . . . 625 GLY H . 27747 1
308 . 1 1 141 141 GLY N N 15 106.835 0.016 . 1 . . . . . 625 GLY N . 27747 1
309 . 1 1 142 142 ASN H H 1 7.427 0.002 . 1 . . . . . 626 ASN H . 27747 1
310 . 1 1 142 142 ASN HD21 H 1 7.062 0.000 . 1 . . . . . 626 ASN HD21 . 27747 1
311 . 1 1 142 142 ASN HD22 H 1 8.221 0.000 . 1 . . . . . 626 ASN HD22 . 27747 1
312 . 1 1 142 142 ASN N N 15 116.452 0.014 . 1 . . . . . 626 ASN N . 27747 1
313 . 1 1 142 142 ASN ND2 N 15 115.514 0.000 . 1 . . . . . 626 ASN ND2 . 27747 1
314 . 1 1 143 143 THR H H 1 10.263 0.003 . 1 . . . . . 627 THR H . 27747 1
315 . 1 1 143 143 THR N N 15 121.538 0.018 . 1 . . . . . 627 THR N . 27747 1
316 . 1 1 145 145 LEU H H 1 7.629 0.002 . 1 . . . . . 629 LEU H . 27747 1
317 . 1 1 145 145 LEU N N 15 115.098 0.016 . 1 . . . . . 629 LEU N . 27747 1
318 . 1 1 146 146 ASP H H 1 7.295 0.002 . 1 . . . . . 630 ASP H . 27747 1
319 . 1 1 146 146 ASP N N 15 117.825 0.013 . 1 . . . . . 630 ASP N . 27747 1
320 . 1 1 147 147 LEU H H 1 7.323 0.002 . 1 . . . . . 631 LEU H . 27747 1
321 . 1 1 147 147 LEU N N 15 115.931 0.013 . 1 . . . . . 631 LEU N . 27747 1
322 . 1 1 148 148 VAL H H 1 7.088 0.002 . 1 . . . . . 632 VAL H . 27747 1
323 . 1 1 148 148 VAL N N 15 120.023 0.015 . 1 . . . . . 632 VAL N . 27747 1
324 . 1 1 149 149 LYS H H 1 8.971 0.003 . 1 . . . . . 633 LYS H . 27747 1
325 . 1 1 149 149 LYS N N 15 130.592 0.016 . 1 . . . . . 633 LYS N . 27747 1
326 . 1 1 150 150 ASP H H 1 8.536 0.005 . 1 . . . . . 634 ASP H . 27747 1
327 . 1 1 150 150 ASP N N 15 122.172 0.005 . 1 . . . . . 634 ASP N . 27747 1
328 . 1 1 151 151 GLY H H 1 8.427 0.002 . 1 . . . . . 635 GLY H . 27747 1
329 . 1 1 151 151 GLY N N 15 109.400 0.018 . 1 . . . . . 635 GLY N . 27747 1
330 . 1 1 152 152 ASP H H 1 7.717 0.002 . 1 . . . . . 636 ASP H . 27747 1
331 . 1 1 152 152 ASP N N 15 124.404 0.014 . 1 . . . . . 636 ASP N . 27747 1
332 . 1 1 153 153 THR H H 1 8.017 0.002 . 1 . . . . . 637 THR H . 27747 1
333 . 1 1 153 153 THR N N 15 116.771 0.012 . 1 . . . . . 637 THR N . 27747 1
334 . 1 1 154 154 ASP H H 1 8.497 0.002 . 1 . . . . . 638 ASP H . 27747 1
335 . 1 1 154 154 ASP N N 15 121.673 0.009 . 1 . . . . . 638 ASP N . 27747 1
336 . 1 1 155 155 ILE H H 1 7.930 0.002 . 1 . . . . . 639 ILE H . 27747 1
337 . 1 1 155 155 ILE N N 15 121.608 0.016 . 1 . . . . . 639 ILE N . 27747 1
338 . 1 1 156 156 GLN H H 1 7.884 0.002 . 1 . . . . . 640 GLN H . 27747 1
339 . 1 1 156 156 GLN HE21 H 1 6.815 0.000 . 1 . . . . . 640 GLN HE21 . 27747 1
340 . 1 1 156 156 GLN HE22 H 1 6.957 0.000 . 1 . . . . . 640 GLN HE22 . 27747 1
341 . 1 1 156 156 GLN N N 15 119.703 0.008 . 1 . . . . . 640 GLN N . 27747 1
342 . 1 1 156 156 GLN NE2 N 15 111.620 0.000 . 1 . . . . . 640 GLN NE2 . 27747 1
343 . 1 1 157 157 ASP H H 1 8.388 0.001 . 1 . . . . . 641 ASP H . 27747 1
344 . 1 1 157 157 ASP N N 15 117.812 0.008 . 1 . . . . . 641 ASP N . 27747 1
345 . 1 1 158 158 LEU H H 1 7.606 0.002 . 1 . . . . . 642 LEU H . 27747 1
346 . 1 1 158 158 LEU N N 15 121.293 0.017 . 1 . . . . . 642 LEU N . 27747 1
347 . 1 1 159 159 LEU H H 1 7.903 0.002 . 1 . . . . . 643 LEU H . 27747 1
348 . 1 1 159 159 LEU N N 15 116.592 0.012 . 1 . . . . . 643 LEU N . 27747 1
349 . 1 1 160 160 ARG H H 1 8.014 0.002 . 1 . . . . . 644 ARG H . 27747 1
350 . 1 1 160 160 ARG N N 15 119.313 0.010 . 1 . . . . . 644 ARG N . 27747 1
351 . 1 1 161 161 GLY H H 1 7.676 0.002 . 1 . . . . . 645 GLY H . 27747 1
352 . 1 1 161 161 GLY N N 15 107.459 0.013 . 1 . . . . . 645 GLY N . 27747 1
353 . 1 1 162 162 ASP H H 1 8.107 0.002 . 1 . . . . . 646 ASP H . 27747 1
354 . 1 1 162 162 ASP N N 15 121.106 0.008 . 1 . . . . . 646 ASP N . 27747 1
355 . 1 1 163 163 ALA H H 1 8.032 0.002 . 1 . . . . . 647 ALA H . 27747 1
356 . 1 1 163 163 ALA N N 15 124.634 0.013 . 1 . . . . . 647 ALA N . 27747 1
357 . 1 1 164 164 ALA H H 1 8.292 0.027 . 1 . . . . . 648 ALA H . 27747 1
358 . 1 1 164 164 ALA N N 15 125.612 0.012 . 1 . . . . . 648 ALA N . 27747 1
359 . 1 1 165 165 LEU H H 1 7.872 0.002 . 1 . . . . . 649 LEU H . 27747 1
360 . 1 1 165 165 LEU N N 15 128.840 0.010 . 1 . . . . . 649 LEU N . 27747 1
stop_
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