Content for NMR-STAR saveframe, assigned_chemical_shifts_1
save_assigned_chemical_shifts_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1
_Assigned_chem_shift_list.Entry_ID 51945
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 'list 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 $chem_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '2D 1H-15N HSQC' . . . 51945 1
2 '3D HNCACB' . . . 51945 1
3 '3D HN(CO)CACB' . . . 51945 1
4 '3D HNCA' . . . 51945 1
5 '3D HNCO' . . . 51945 1
6 '3D HN(CA)CO' . . . 51945 1
7 '3D HN(CO)CA' . . . 51945 1
8 '3D 1H-15N NOESY' . . . 51945 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
3 $software_3 . . 51945 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 . 1 12 12 ALA CA C 13 52.326 0.088 . . . . . . . 585 ALA CA . 51945 1
2 . 1 . 1 12 12 ALA CB C 13 18.888 0.000 . . . . . . . 585 ALA CB . 51945 1
3 . 1 . 1 15 15 GLU H H 1 8.400 0.003 . . . . . . . 588 GLU H . 51945 1
4 . 1 . 1 15 15 GLU C C 13 176.462 0.043 . . . . . . . 588 GLU C . 51945 1
5 . 1 . 1 15 15 GLU CA C 13 56.498 0.047 . . . . . . . 588 GLU CA . 51945 1
6 . 1 . 1 15 15 GLU CB C 13 29.900 0.067 . . . . . . . 588 GLU CB . 51945 1
7 . 1 . 1 15 15 GLU N N 15 123.102 0.015 . . . . . . . 588 GLU N . 51945 1
8 . 1 . 1 16 16 THR H H 1 8.191 0.003 . . . . . . . 589 THR H . 51945 1
9 . 1 . 1 16 16 THR C C 13 174.505 0.005 . . . . . . . 589 THR C . 51945 1
10 . 1 . 1 16 16 THR CA C 13 61.697 0.055 . . . . . . . 589 THR CA . 51945 1
11 . 1 . 1 16 16 THR CB C 13 69.379 0.021 . . . . . . . 589 THR CB . 51945 1
12 . 1 . 1 16 16 THR N N 15 115.178 0.072 . . . . . . . 589 THR N . 51945 1
13 . 1 . 1 17 17 MET H H 1 8.367 0.004 . . . . . . . 590 MET H . 51945 1
14 . 1 . 1 17 17 MET C C 13 176.143 0.024 . . . . . . . 590 MET C . 51945 1
15 . 1 . 1 17 17 MET CA C 13 55.459 0.028 . . . . . . . 590 MET CA . 51945 1
16 . 1 . 1 17 17 MET CB C 13 32.356 0.060 . . . . . . . 590 MET CB . 51945 1
17 . 1 . 1 17 17 MET N N 15 122.523 0.087 . . . . . . . 590 MET N . 51945 1
18 . 1 . 1 18 18 GLU H H 1 8.401 0.002 . . . . . . . 591 GLU H . 51945 1
19 . 1 . 1 18 18 GLU C C 13 174.020 0.000 . . . . . . . 591 GLU C . 51945 1
20 . 1 . 1 18 18 GLU CA C 13 56.699 0.011 . . . . . . . 591 GLU CA . 51945 1
21 . 1 . 1 18 18 GLU CB C 13 29.790 0.000 . . . . . . . 591 GLU CB . 51945 1
22 . 1 . 1 18 18 GLU N N 15 121.570 0.066 . . . . . . . 591 GLU N . 51945 1
23 . 1 . 1 22 22 LYS C C 13 179.599 0.000 . . . . . . . 595 LYS C . 51945 1
24 . 1 . 1 22 22 LYS CA C 13 59.576 0.000 . . . . . . . 595 LYS CA . 51945 1
25 . 1 . 1 23 23 CYS H H 1 8.765 0.010 . . . . . . . 596 CYS H . 51945 1
26 . 1 . 1 23 23 CYS C C 13 176.091 0.000 . . . . . . . 596 CYS C . 51945 1
27 . 1 . 1 23 23 CYS CA C 13 63.248 0.029 . . . . . . . 596 CYS CA . 51945 1
28 . 1 . 1 23 23 CYS N N 15 122.206 0.034 . . . . . . . 596 CYS N . 51945 1
29 . 1 . 1 24 24 LYS H H 1 8.930 0.006 . . . . . . . 597 LYS H . 51945 1
30 . 1 . 1 24 24 LYS C C 13 178.529 0.034 . . . . . . . 597 LYS C . 51945 1
31 . 1 . 1 24 24 LYS CA C 13 60.719 0.066 . . . . . . . 597 LYS CA . 51945 1
32 . 1 . 1 24 24 LYS CB C 13 31.892 0.026 . . . . . . . 597 LYS CB . 51945 1
33 . 1 . 1 24 24 LYS N N 15 120.595 0.052 . . . . . . . 597 LYS N . 51945 1
34 . 1 . 1 25 25 ASN H H 1 8.454 0.007 . . . . . . . 598 ASN H . 51945 1
35 . 1 . 1 25 25 ASN CA C 13 55.944 0.063 . . . . . . . 598 ASN CA . 51945 1
36 . 1 . 1 25 25 ASN CB C 13 37.877 0.000 . . . . . . . 598 ASN CB . 51945 1
37 . 1 . 1 25 25 ASN N N 15 117.647 0.023 . . . . . . . 598 ASN N . 51945 1
38 . 1 . 1 28 28 SER C C 13 174.699 0.000 . . . . . . . 601 SER C . 51945 1
39 . 1 . 1 28 28 SER CA C 13 58.039 0.054 . . . . . . . 601 SER CA . 51945 1
40 . 1 . 1 28 28 SER CB C 13 63.493 0.000 . . . . . . . 601 SER CB . 51945 1
41 . 1 . 1 29 29 THR H H 1 8.228 0.005 . . . . . . . 602 THR H . 51945 1
42 . 1 . 1 29 29 THR CA C 13 61.595 0.008 . . . . . . . 602 THR CA . 51945 1
43 . 1 . 1 29 29 THR CB C 13 69.235 0.000 . . . . . . . 602 THR CB . 51945 1
44 . 1 . 1 29 29 THR N N 15 115.520 0.066 . . . . . . . 602 THR N . 51945 1
45 . 1 . 1 31 31 ILE CA C 13 61.986 0.089 . . . . . . . 604 ILE CA . 51945 1
46 . 1 . 1 31 31 ILE CB C 13 32.380 0.000 . . . . . . . 604 ILE CB . 51945 1
47 . 1 . 1 32 32 LYS H H 1 8.366 0.002 . . . . . . . 605 LYS H . 51945 1
48 . 1 . 1 32 32 LYS C C 13 175.311 0.008 . . . . . . . 605 LYS C . 51945 1
49 . 1 . 1 32 32 LYS CA C 13 55.807 0.080 . . . . . . . 605 LYS CA . 51945 1
50 . 1 . 1 32 32 LYS CB C 13 32.749 0.129 . . . . . . . 605 LYS CB . 51945 1
51 . 1 . 1 32 32 LYS N N 15 125.962 0.041 . . . . . . . 605 LYS N . 51945 1
52 . 1 . 1 33 33 LEU H H 1 8.028 0.001 . . . . . . . 606 LEU H . 51945 1
53 . 1 . 1 33 33 LEU C C 13 179.941 0.000 . . . . . . . 606 LEU C . 51945 1
54 . 1 . 1 33 33 LEU CA C 13 57.694 0.063 . . . . . . . 606 LEU CA . 51945 1
55 . 1 . 1 33 33 LEU N N 15 128.147 0.047 . . . . . . . 606 LEU N . 51945 1
56 . 1 . 1 34 34 ALA H H 1 8.134 0.009 . . . . . . . 607 ALA H . 51945 1
57 . 1 . 1 34 34 ALA C C 13 177.987 0.044 . . . . . . . 607 ALA C . 51945 1
58 . 1 . 1 34 34 ALA CA C 13 53.866 0.102 . . . . . . . 607 ALA CA . 51945 1
59 . 1 . 1 34 34 ALA CB C 13 18.448 0.016 . . . . . . . 607 ALA CB . 51945 1
60 . 1 . 1 34 34 ALA N N 15 121.444 0.041 . . . . . . . 607 ALA N . 51945 1
61 . 1 . 1 35 35 SER H H 1 7.786 0.008 . . . . . . . 608 SER H . 51945 1
62 . 1 . 1 35 35 SER C C 13 174.608 0.000 . . . . . . . 608 SER C . 51945 1
63 . 1 . 1 35 35 SER CA C 13 58.416 0.046 . . . . . . . 608 SER CA . 51945 1
64 . 1 . 1 35 35 SER CB C 13 63.502 0.043 . . . . . . . 608 SER CB . 51945 1
65 . 1 . 1 35 35 SER N N 15 111.328 0.050 . . . . . . . 608 SER N . 51945 1
66 . 1 . 1 36 36 SER H H 1 7.651 0.003 . . . . . . . 609 SER H . 51945 1
67 . 1 . 1 36 36 SER C C 13 175.046 0.000 . . . . . . . 609 SER C . 51945 1
68 . 1 . 1 36 36 SER CA C 13 59.187 0.082 . . . . . . . 609 SER CA . 51945 1
69 . 1 . 1 36 36 SER CB C 13 64.306 0.031 . . . . . . . 609 SER CB . 51945 1
70 . 1 . 1 36 36 SER N N 15 116.020 0.021 . . . . . . . 609 SER N . 51945 1
71 . 1 . 1 37 37 GLY H H 1 8.386 0.003 . . . . . . . 610 GLY H . 51945 1
72 . 1 . 1 37 37 GLY C C 13 174.454 0.000 . . . . . . . 610 GLY C . 51945 1
73 . 1 . 1 37 37 GLY CA C 13 45.179 0.125 . . . . . . . 610 GLY CA . 51945 1
74 . 1 . 1 37 37 GLY N N 15 110.777 0.090 . . . . . . . 610 GLY N . 51945 1
75 . 1 . 1 38 38 LYS H H 1 8.165 0.006 . . . . . . . 611 LYS H . 51945 1
76 . 1 . 1 38 38 LYS C C 13 176.877 0.029 . . . . . . . 611 LYS C . 51945 1
77 . 1 . 1 38 38 LYS CA C 13 56.389 0.072 . . . . . . . 611 LYS CA . 51945 1
78 . 1 . 1 38 38 LYS CB C 13 32.802 0.000 . . . . . . . 611 LYS CB . 51945 1
79 . 1 . 1 38 38 LYS N N 15 119.561 0.024 . . . . . . . 611 LYS N . 51945 1
80 . 1 . 1 39 39 GLN H H 1 8.068 0.005 . . . . . . . 612 GLN H . 51945 1
81 . 1 . 1 39 39 GLN C C 13 175.996 0.026 . . . . . . . 612 GLN C . 51945 1
82 . 1 . 1 39 39 GLN CA C 13 54.265 0.074 . . . . . . . 612 GLN CA . 51945 1
83 . 1 . 1 39 39 GLN CB C 13 29.972 0.000 . . . . . . . 612 GLN CB . 51945 1
84 . 1 . 1 39 39 GLN N N 15 118.014 0.033 . . . . . . . 612 GLN N . 51945 1
85 . 1 . 1 40 40 SER H H 1 8.711 0.004 . . . . . . . 613 SER H . 51945 1
86 . 1 . 1 40 40 SER C C 13 174.839 0.000 . . . . . . . 613 SER C . 51945 1
87 . 1 . 1 40 40 SER CA C 13 57.667 0.011 . . . . . . . 613 SER CA . 51945 1
88 . 1 . 1 40 40 SER CB C 13 63.930 0.064 . . . . . . . 613 SER CB . 51945 1
89 . 1 . 1 40 40 SER N N 15 117.355 0.026 . . . . . . . 613 SER N . 51945 1
90 . 1 . 1 41 41 THR H H 1 8.603 0.007 . . . . . . . 614 THR H . 51945 1
91 . 1 . 1 41 41 THR C C 13 176.755 0.000 . . . . . . . 614 THR C . 51945 1
92 . 1 . 1 41 41 THR CA C 13 65.021 0.051 . . . . . . . 614 THR CA . 51945 1
93 . 1 . 1 41 41 THR CB C 13 68.477 0.000 . . . . . . . 614 THR CB . 51945 1
94 . 1 . 1 41 41 THR N N 15 116.518 0.035 . . . . . . . 614 THR N . 51945 1
95 . 1 . 1 42 42 GLU H H 1 8.638 0.005 . . . . . . . 615 GLU H . 51945 1
96 . 1 . 1 42 42 GLU C C 13 177.486 0.002 . . . . . . . 615 GLU C . 51945 1
97 . 1 . 1 42 42 GLU CA C 13 59.162 0.062 . . . . . . . 615 GLU CA . 51945 1
98 . 1 . 1 42 42 GLU CB C 13 28.899 0.100 . . . . . . . 615 GLU CB . 51945 1
99 . 1 . 1 42 42 GLU N N 15 121.908 0.023 . . . . . . . 615 GLU N . 51945 1
100 . 1 . 1 43 43 THR H H 1 7.846 0.001 . . . . . . . 616 THR H . 51945 1
101 . 1 . 1 43 43 THR C C 13 175.682 0.000 . . . . . . . 616 THR C . 51945 1
102 . 1 . 1 43 43 THR CA C 13 66.427 0.071 . . . . . . . 616 THR CA . 51945 1
103 . 1 . 1 43 43 THR CB C 13 68.547 0.119 . . . . . . . 616 THR CB . 51945 1
104 . 1 . 1 43 43 THR N N 15 117.664 0.038 . . . . . . . 616 THR N . 51945 1
105 . 1 . 1 44 44 ALA H H 1 8.309 0.007 . . . . . . . 617 ALA H . 51945 1
106 . 1 . 1 44 44 ALA C C 13 179.339 0.006 . . . . . . . 617 ALA C . 51945 1
107 . 1 . 1 44 44 ALA CA C 13 55.359 0.082 . . . . . . . 617 ALA CA . 51945 1
108 . 1 . 1 44 44 ALA CB C 13 18.386 0.056 . . . . . . . 617 ALA CB . 51945 1
109 . 1 . 1 44 44 ALA N N 15 122.663 0.031 . . . . . . . 617 ALA N . 51945 1
110 . 1 . 1 45 45 ALA H H 1 7.795 0.004 . . . . . . . 618 ALA H . 51945 1
111 . 1 . 1 45 45 ALA C C 13 180.555 0.009 . . . . . . . 618 ALA C . 51945 1
112 . 1 . 1 45 45 ALA CA C 13 54.724 0.012 . . . . . . . 618 ALA CA . 51945 1
113 . 1 . 1 45 45 ALA CB C 13 17.784 0.156 . . . . . . . 618 ALA CB . 51945 1
114 . 1 . 1 45 45 ALA N N 15 119.392 0.033 . . . . . . . 618 ALA N . 51945 1
115 . 1 . 1 46 46 ASN H H 1 8.350 0.008 . . . . . . . 619 ASN H . 51945 1
116 . 1 . 1 46 46 ASN C C 13 178.696 0.006 . . . . . . . 619 ASN C . 51945 1
117 . 1 . 1 46 46 ASN CA C 13 55.064 0.085 . . . . . . . 619 ASN CA . 51945 1
118 . 1 . 1 46 46 ASN CB C 13 36.507 0.014 . . . . . . . 619 ASN CB . 51945 1
119 . 1 . 1 46 46 ASN N N 15 118.798 0.024 . . . . . . . 619 ASN N . 51945 1
120 . 1 . 1 47 47 VAL H H 1 8.684 0.004 . . . . . . . 620 VAL H . 51945 1
121 . 1 . 1 47 47 VAL C C 13 176.896 0.015 . . . . . . . 620 VAL C . 51945 1
122 . 1 . 1 47 47 VAL CA C 13 67.177 0.053 . . . . . . . 620 VAL CA . 51945 1
123 . 1 . 1 47 47 VAL CB C 13 30.839 0.003 . . . . . . . 620 VAL CB . 51945 1
124 . 1 . 1 47 47 VAL N N 15 121.589 0.050 . . . . . . . 620 VAL N . 51945 1
125 . 1 . 1 48 48 LYS H H 1 8.060 0.003 . . . . . . . 621 LYS H . 51945 1
126 . 1 . 1 48 48 LYS C C 13 177.963 0.008 . . . . . . . 621 LYS C . 51945 1
127 . 1 . 1 48 48 LYS CA C 13 60.975 0.108 . . . . . . . 621 LYS CA . 51945 1
128 . 1 . 1 48 48 LYS CB C 13 32.153 0.105 . . . . . . . 621 LYS CB . 51945 1
129 . 1 . 1 48 48 LYS N N 15 118.957 0.045 . . . . . . . 621 LYS N . 51945 1
130 . 1 . 1 49 49 GLU H H 1 7.895 0.002 . . . . . . . 622 GLU H . 51945 1
131 . 1 . 1 49 49 GLU C C 13 178.089 0.009 . . . . . . . 622 GLU C . 51945 1
132 . 1 . 1 49 49 GLU CA C 13 59.029 0.065 . . . . . . . 622 GLU CA . 51945 1
133 . 1 . 1 49 49 GLU CB C 13 29.438 0.104 . . . . . . . 622 GLU CB . 51945 1
134 . 1 . 1 49 49 GLU N N 15 118.755 0.025 . . . . . . . 622 GLU N . 51945 1
135 . 1 . 1 50 50 LEU H H 1 8.037 0.003 . . . . . . . 623 LEU H . 51945 1
136 . 1 . 1 50 50 LEU C C 13 179.086 0.009 . . . . . . . 623 LEU C . 51945 1
137 . 1 . 1 50 50 LEU CA C 13 58.263 0.036 . . . . . . . 623 LEU CA . 51945 1
138 . 1 . 1 50 50 LEU CB C 13 42.049 0.075 . . . . . . . 623 LEU CB . 51945 1
139 . 1 . 1 50 50 LEU N N 15 120.064 0.040 . . . . . . . 623 LEU N . 51945 1
140 . 1 . 1 51 51 VAL H H 1 8.363 0.007 . . . . . . . 624 VAL H . 51945 1
141 . 1 . 1 51 51 VAL C C 13 177.242 0.000 . . . . . . . 624 VAL C . 51945 1
142 . 1 . 1 51 51 VAL CA C 13 67.055 0.056 . . . . . . . 624 VAL CA . 51945 1
143 . 1 . 1 51 51 VAL CB C 13 31.316 0.153 . . . . . . . 624 VAL CB . 51945 1
144 . 1 . 1 51 51 VAL N N 15 117.650 0.023 . . . . . . . 624 VAL N . 51945 1
145 . 1 . 1 52 52 GLN H H 1 8.529 0.006 . . . . . . . 625 GLN H . 51945 1
146 . 1 . 1 52 52 GLN C C 13 177.666 0.029 . . . . . . . 625 GLN C . 51945 1
147 . 1 . 1 52 52 GLN CA C 13 60.002 0.013 . . . . . . . 625 GLN CA . 51945 1
148 . 1 . 1 52 52 GLN CB C 13 28.077 0.139 . . . . . . . 625 GLN CB . 51945 1
149 . 1 . 1 52 52 GLN N N 15 120.291 0.028 . . . . . . . 625 GLN N . 51945 1
150 . 1 . 1 53 53 ASN H H 1 8.930 0.008 . . . . . . . 626 ASN H . 51945 1
151 . 1 . 1 53 53 ASN C C 13 177.582 0.006 . . . . . . . 626 ASN C . 51945 1
152 . 1 . 1 53 53 ASN CA C 13 55.869 0.083 . . . . . . . 626 ASN CA . 51945 1
153 . 1 . 1 53 53 ASN CB C 13 37.553 0.062 . . . . . . . 626 ASN CB . 51945 1
154 . 1 . 1 53 53 ASN N N 15 116.247 0.012 . . . . . . . 626 ASN N . 51945 1
155 . 1 . 1 54 54 LEU H H 1 8.362 0.001 . . . . . . . 627 LEU H . 51945 1
156 . 1 . 1 54 54 LEU C C 13 180.589 0.000 . . . . . . . 627 LEU C . 51945 1
157 . 1 . 1 54 54 LEU CA C 13 57.819 0.022 . . . . . . . 627 LEU CA . 51945 1
158 . 1 . 1 54 54 LEU CB C 13 41.605 0.165 . . . . . . . 627 LEU CB . 51945 1
159 . 1 . 1 54 54 LEU N N 15 123.614 0.071 . . . . . . . 627 LEU N . 51945 1
160 . 1 . 1 55 55 LEU H H 1 8.418 0.003 . . . . . . . 628 LEU H . 51945 1
161 . 1 . 1 55 55 LEU C C 13 178.256 0.000 . . . . . . . 628 LEU C . 51945 1
162 . 1 . 1 55 55 LEU CA C 13 57.933 0.048 . . . . . . . 628 LEU CA . 51945 1
163 . 1 . 1 55 55 LEU CB C 13 41.037 0.064 . . . . . . . 628 LEU CB . 51945 1
164 . 1 . 1 55 55 LEU N N 15 122.212 0.049 . . . . . . . 628 LEU N . 51945 1
165 . 1 . 1 56 56 ASP H H 1 8.424 0.006 . . . . . . . 629 ASP H . 51945 1
166 . 1 . 1 56 56 ASP C C 13 176.585 0.004 . . . . . . . 629 ASP C . 51945 1
167 . 1 . 1 56 56 ASP CA C 13 54.800 0.068 . . . . . . . 629 ASP CA . 51945 1
168 . 1 . 1 56 56 ASP CB C 13 40.861 0.062 . . . . . . . 629 ASP CB . 51945 1
169 . 1 . 1 56 56 ASP N N 15 116.665 0.024 . . . . . . . 629 ASP N . 51945 1
170 . 1 . 1 57 57 GLY H H 1 7.718 0.005 . . . . . . . 630 GLY H . 51945 1
171 . 1 . 1 57 57 GLY C C 13 174.710 0.000 . . . . . . . 630 GLY C . 51945 1
172 . 1 . 1 57 57 GLY CA C 13 45.282 0.058 . . . . . . . 630 GLY CA . 51945 1
173 . 1 . 1 57 57 GLY N N 15 107.211 0.024 . . . . . . . 630 GLY N . 51945 1
174 . 1 . 1 58 58 LYS H H 1 8.386 0.003 . . . . . . . 631 LYS H . 51945 1
175 . 1 . 1 58 58 LYS C C 13 175.548 0.027 . . . . . . . 631 LYS C . 51945 1
176 . 1 . 1 58 58 LYS CA C 13 56.652 0.080 . . . . . . . 631 LYS CA . 51945 1
177 . 1 . 1 58 58 LYS CB C 13 33.495 0.035 . . . . . . . 631 LYS CB . 51945 1
178 . 1 . 1 58 58 LYS N N 15 118.286 0.039 . . . . . . . 631 LYS N . 51945 1
179 . 1 . 1 59 59 ILE H H 1 7.135 0.003 . . . . . . . 632 ILE H . 51945 1
180 . 1 . 1 59 59 ILE C C 13 173.124 0.000 . . . . . . . 632 ILE C . 51945 1
181 . 1 . 1 59 59 ILE CA C 13 58.912 0.059 . . . . . . . 632 ILE CA . 51945 1
182 . 1 . 1 59 59 ILE CB C 13 41.369 0.000 . . . . . . . 632 ILE CB . 51945 1
183 . 1 . 1 59 59 ILE N N 15 112.532 0.035 . . . . . . . 632 ILE N . 51945 1
184 . 1 . 1 60 60 GLU H H 1 8.614 0.008 . . . . . . . 633 GLU H . 51945 1
185 . 1 . 1 60 60 GLU C C 13 177.582 0.016 . . . . . . . 633 GLU C . 51945 1
186 . 1 . 1 60 60 GLU CA C 13 54.214 0.056 . . . . . . . 633 GLU CA . 51945 1
187 . 1 . 1 60 60 GLU CB C 13 30.600 0.119 . . . . . . . 633 GLU CB . 51945 1
188 . 1 . 1 60 60 GLU N N 15 121.219 0.045 . . . . . . . 633 GLU N . 51945 1
189 . 1 . 1 61 61 ALA H H 1 8.919 0.002 . . . . . . . 634 ALA H . 51945 1
190 . 1 . 1 61 61 ALA C C 13 179.435 0.005 . . . . . . . 634 ALA C . 51945 1
191 . 1 . 1 61 61 ALA CA C 13 56.137 0.092 . . . . . . . 634 ALA CA . 51945 1
192 . 1 . 1 61 61 ALA CB C 13 19.570 0.213 . . . . . . . 634 ALA CB . 51945 1
193 . 1 . 1 61 61 ALA N N 15 121.591 0.036 . . . . . . . 634 ALA N . 51945 1
194 . 1 . 1 62 62 GLU H H 1 10.202 0.005 . . . . . . . 635 GLU H . 51945 1
195 . 1 . 1 62 62 GLU C C 13 178.186 0.027 . . . . . . . 635 GLU C . 51945 1
196 . 1 . 1 62 62 GLU CA C 13 60.999 0.060 . . . . . . . 635 GLU CA . 51945 1
197 . 1 . 1 62 62 GLU CB C 13 28.254 0.000 . . . . . . . 635 GLU CB . 51945 1
198 . 1 . 1 62 62 GLU N N 15 119.879 0.022 . . . . . . . 635 GLU N . 51945 1
199 . 1 . 1 63 63 ASP H H 1 7.557 0.006 . . . . . . . 636 ASP H . 51945 1
200 . 1 . 1 63 63 ASP C C 13 177.462 0.016 . . . . . . . 636 ASP C . 51945 1
201 . 1 . 1 63 63 ASP CA C 13 56.403 0.075 . . . . . . . 636 ASP CA . 51945 1
202 . 1 . 1 63 63 ASP CB C 13 40.705 0.100 . . . . . . . 636 ASP CB . 51945 1
203 . 1 . 1 63 63 ASP N N 15 120.592 0.021 . . . . . . . 636 ASP N . 51945 1
204 . 1 . 1 64 64 PHE H H 1 8.593 0.004 . . . . . . . 637 PHE H . 51945 1
205 . 1 . 1 64 64 PHE C C 13 175.258 0.010 . . . . . . . 637 PHE C . 51945 1
206 . 1 . 1 64 64 PHE CA C 13 61.523 0.016 . . . . . . . 637 PHE CA . 51945 1
207 . 1 . 1 64 64 PHE CB C 13 39.594 0.037 . . . . . . . 637 PHE CB . 51945 1
208 . 1 . 1 64 64 PHE N N 15 118.114 0.019 . . . . . . . 637 PHE N . 51945 1
209 . 1 . 1 65 65 THR H H 1 8.300 0.007 . . . . . . . 638 THR H . 51945 1
210 . 1 . 1 65 65 THR C C 13 175.604 0.000 . . . . . . . 638 THR C . 51945 1
211 . 1 . 1 65 65 THR CA C 13 67.325 0.048 . . . . . . . 638 THR CA . 51945 1
212 . 1 . 1 65 65 THR N N 15 113.795 0.055 . . . . . . . 638 THR N . 51945 1
213 . 1 . 1 66 66 SER H H 1 7.789 0.004 . . . . . . . 639 SER H . 51945 1
214 . 1 . 1 66 66 SER C C 13 177.793 0.000 . . . . . . . 639 SER C . 51945 1
215 . 1 . 1 66 66 SER CA C 13 61.069 0.049 . . . . . . . 639 SER CA . 51945 1
216 . 1 . 1 66 66 SER CB C 13 62.387 0.000 . . . . . . . 639 SER CB . 51945 1
217 . 1 . 1 66 66 SER N N 15 115.334 0.017 . . . . . . . 639 SER N . 51945 1
218 . 1 . 1 67 67 ARG H H 1 8.106 0.003 . . . . . . . 640 ARG H . 51945 1
219 . 1 . 1 67 67 ARG C C 13 178.690 0.000 . . . . . . . 640 ARG C . 51945 1
220 . 1 . 1 67 67 ARG CA C 13 58.959 0.045 . . . . . . . 640 ARG CA . 51945 1
221 . 1 . 1 67 67 ARG CB C 13 30.139 0.036 . . . . . . . 640 ARG CB . 51945 1
222 . 1 . 1 67 67 ARG N N 15 119.624 0.032 . . . . . . . 640 ARG N . 51945 1
223 . 1 . 1 68 68 LEU H H 1 8.684 0.009 . . . . . . . 641 LEU H . 51945 1
224 . 1 . 1 68 68 LEU C C 13 178.306 0.003 . . . . . . . 641 LEU C . 51945 1
225 . 1 . 1 68 68 LEU CA C 13 57.746 0.025 . . . . . . . 641 LEU CA . 51945 1
226 . 1 . 1 68 68 LEU CB C 13 41.214 0.000 . . . . . . . 641 LEU CB . 51945 1
227 . 1 . 1 68 68 LEU N N 15 121.971 0.040 . . . . . . . 641 LEU N . 51945 1
228 . 1 . 1 69 69 TYR H H 1 7.922 0.010 . . . . . . . 642 TYR H . 51945 1
229 . 1 . 1 69 69 TYR C C 13 178.076 0.000 . . . . . . . 642 TYR C . 51945 1
230 . 1 . 1 69 69 TYR CA C 13 62.087 0.066 . . . . . . . 642 TYR CA . 51945 1
231 . 1 . 1 69 69 TYR CB C 13 35.783 0.166 . . . . . . . 642 TYR CB . 51945 1
232 . 1 . 1 69 69 TYR N N 15 114.862 0.039 . . . . . . . 642 TYR N . 51945 1
233 . 1 . 1 70 70 ARG H H 1 7.305 0.006 . . . . . . . 643 ARG H . 51945 1
234 . 1 . 1 70 70 ARG C C 13 179.235 0.009 . . . . . . . 643 ARG C . 51945 1
235 . 1 . 1 70 70 ARG CA C 13 58.819 0.039 . . . . . . . 643 ARG CA . 51945 1
236 . 1 . 1 70 70 ARG CB C 13 29.688 0.033 . . . . . . . 643 ARG CB . 51945 1
237 . 1 . 1 70 70 ARG N N 15 118.980 0.036 . . . . . . . 643 ARG N . 51945 1
238 . 1 . 1 71 71 GLU H H 1 7.824 0.005 . . . . . . . 644 GLU H . 51945 1
239 . 1 . 1 71 71 GLU C C 13 178.130 0.000 . . . . . . . 644 GLU C . 51945 1
240 . 1 . 1 71 71 GLU CA C 13 58.118 0.042 . . . . . . . 644 GLU CA . 51945 1
241 . 1 . 1 71 71 GLU CB C 13 29.004 0.000 . . . . . . . 644 GLU CB . 51945 1
242 . 1 . 1 71 71 GLU N N 15 119.527 0.012 . . . . . . . 644 GLU N . 51945 1
243 . 1 . 1 72 72 LEU H H 1 7.800 0.004 . . . . . . . 645 LEU H . 51945 1
244 . 1 . 1 72 72 LEU C C 13 176.438 0.002 . . . . . . . 645 LEU C . 51945 1
245 . 1 . 1 72 72 LEU CA C 13 54.255 0.047 . . . . . . . 645 LEU CA . 51945 1
246 . 1 . 1 72 72 LEU CB C 13 41.282 0.136 . . . . . . . 645 LEU CB . 51945 1
247 . 1 . 1 72 72 LEU N N 15 114.091 0.028 . . . . . . . 645 LEU N . 51945 1
248 . 1 . 1 73 73 ASN H H 1 7.907 0.001 . . . . . . . 646 ASN H . 51945 1
249 . 1 . 1 73 73 ASN C C 13 174.096 0.006 . . . . . . . 646 ASN C . 51945 1
250 . 1 . 1 73 73 ASN CA C 13 53.659 0.087 . . . . . . . 646 ASN CA . 51945 1
251 . 1 . 1 73 73 ASN CB C 13 37.085 0.063 . . . . . . . 646 ASN CB . 51945 1
252 . 1 . 1 73 73 ASN N N 15 118.146 0.022 . . . . . . . 646 ASN N . 51945 1
253 . 1 . 1 74 74 SER H H 1 8.082 0.006 . . . . . . . 647 SER H . 51945 1
254 . 1 . 1 74 74 SER C C 13 173.302 0.000 . . . . . . . 647 SER C . 51945 1
255 . 1 . 1 74 74 SER CA C 13 56.380 0.002 . . . . . . . 647 SER CA . 51945 1
256 . 1 . 1 74 74 SER CB C 13 64.917 0.000 . . . . . . . 647 SER CB . 51945 1
257 . 1 . 1 74 74 SER N N 15 111.760 0.027 . . . . . . . 647 SER N . 51945 1
258 . 1 . 1 84 84 LEU C C 13 178.705 0.000 . . . . . . . 657 LEU C . 51945 1
259 . 1 . 1 84 84 LEU CA C 13 57.455 0.000 . . . . . . . 657 LEU CA . 51945 1
260 . 1 . 1 84 84 LEU CB C 13 42.104 0.000 . . . . . . . 657 LEU CB . 51945 1
261 . 1 . 1 85 85 LYS H H 1 8.638 0.007 . . . . . . . 658 LYS H . 51945 1
262 . 1 . 1 85 85 LYS C C 13 178.978 0.009 . . . . . . . 658 LYS C . 51945 1
263 . 1 . 1 85 85 LYS CA C 13 59.845 0.051 . . . . . . . 658 LYS CA . 51945 1
264 . 1 . 1 85 85 LYS CB C 13 31.980 0.051 . . . . . . . 658 LYS CB . 51945 1
265 . 1 . 1 85 85 LYS N N 15 117.272 0.037 . . . . . . . 658 LYS N . 51945 1
266 . 1 . 1 86 86 ARG H H 1 7.558 0.005 . . . . . . . 659 ARG H . 51945 1
267 . 1 . 1 86 86 ARG C C 13 177.724 0.000 . . . . . . . 659 ARG C . 51945 1
268 . 1 . 1 86 86 ARG CA C 13 57.442 0.056 . . . . . . . 659 ARG CA . 51945 1
269 . 1 . 1 86 86 ARG CB C 13 30.419 0.104 . . . . . . . 659 ARG CB . 51945 1
270 . 1 . 1 86 86 ARG N N 15 114.239 0.053 . . . . . . . 659 ARG N . 51945 1
271 . 1 . 1 87 87 SER H H 1 7.482 0.009 . . . . . . . 660 SER H . 51945 1
272 . 1 . 1 87 87 SER C C 13 173.746 0.000 . . . . . . . 660 SER C . 51945 1
273 . 1 . 1 87 87 SER CA C 13 60.156 0.016 . . . . . . . 660 SER CA . 51945 1
274 . 1 . 1 87 87 SER CB C 13 64.810 0.000 . . . . . . . 660 SER CB . 51945 1
275 . 1 . 1 87 87 SER N N 15 113.902 0.023 . . . . . . . 660 SER N . 51945 1
276 . 1 . 1 88 88 LEU H H 1 8.218 0.004 . . . . . . . 661 LEU H . 51945 1
277 . 1 . 1 88 88 LEU CA C 13 58.579 0.089 . . . . . . . 661 LEU CA . 51945 1
278 . 1 . 1 88 88 LEU CB C 13 39.491 0.000 . . . . . . . 661 LEU CB . 51945 1
279 . 1 . 1 88 88 LEU N N 15 122.218 0.041 . . . . . . . 661 LEU N . 51945 1
280 . 1 . 1 89 89 PRO C C 13 179.307 0.000 . . . . . . . 662 PRO C . 51945 1
281 . 1 . 1 89 89 PRO CA C 13 66.485 0.083 . . . . . . . 662 PRO CA . 51945 1
282 . 1 . 1 89 89 PRO CB C 13 30.540 0.000 . . . . . . . 662 PRO CB . 51945 1
283 . 1 . 1 90 90 ALA H H 1 7.629 0.004 . . . . . . . 663 ALA H . 51945 1
284 . 1 . 1 90 90 ALA C C 13 179.815 0.076 . . . . . . . 663 ALA C . 51945 1
285 . 1 . 1 90 90 ALA CA C 13 54.034 0.086 . . . . . . . 663 ALA CA . 51945 1
286 . 1 . 1 90 90 ALA CB C 13 18.580 0.094 . . . . . . . 663 ALA CB . 51945 1
287 . 1 . 1 90 90 ALA N N 15 119.003 0.034 . . . . . . . 663 ALA N . 51945 1
288 . 1 . 1 91 91 LEU H H 1 8.088 0.006 . . . . . . . 664 LEU H . 51945 1
289 . 1 . 1 91 91 LEU C C 13 179.478 0.006 . . . . . . . 664 LEU C . 51945 1
290 . 1 . 1 91 91 LEU CA C 13 57.751 0.033 . . . . . . . 664 LEU CA . 51945 1
291 . 1 . 1 91 91 LEU CB C 13 41.780 0.000 . . . . . . . 664 LEU CB . 51945 1
292 . 1 . 1 91 91 LEU N N 15 119.476 0.026 . . . . . . . 664 LEU N . 51945 1
293 . 1 . 1 92 92 ARG H H 1 8.775 0.012 . . . . . . . 665 ARG H . 51945 1
294 . 1 . 1 92 92 ARG C C 13 178.475 0.000 . . . . . . . 665 ARG C . 51945 1
295 . 1 . 1 92 92 ARG CA C 13 59.336 0.083 . . . . . . . 665 ARG CA . 51945 1
296 . 1 . 1 92 92 ARG CB C 13 29.583 0.000 . . . . . . . 665 ARG CB . 51945 1
297 . 1 . 1 92 92 ARG N N 15 119.045 0.028 . . . . . . . 665 ARG N . 51945 1
298 . 1 . 1 93 93 GLN H H 1 7.349 0.002 . . . . . . . 666 GLN H . 51945 1
299 . 1 . 1 93 93 GLN C C 13 177.011 0.000 . . . . . . . 666 GLN C . 51945 1
300 . 1 . 1 93 93 GLN CA C 13 57.605 0.052 . . . . . . . 666 GLN CA . 51945 1
301 . 1 . 1 93 93 GLN CB C 13 28.395 0.091 . . . . . . . 666 GLN CB . 51945 1
302 . 1 . 1 93 93 GLN N N 15 116.889 0.035 . . . . . . . 666 GLN N . 51945 1
303 . 1 . 1 94 94 LEU H H 1 7.456 0.005 . . . . . . . 667 LEU H . 51945 1
304 . 1 . 1 94 94 LEU C C 13 176.651 0.021 . . . . . . . 667 LEU C . 51945 1
305 . 1 . 1 94 94 LEU CA C 13 54.695 0.027 . . . . . . . 667 LEU CA . 51945 1
306 . 1 . 1 94 94 LEU CB C 13 42.591 0.107 . . . . . . . 667 LEU CB . 51945 1
307 . 1 . 1 94 94 LEU N N 15 117.568 0.027 . . . . . . . 667 LEU N . 51945 1
308 . 1 . 1 95 95 THR H H 1 7.555 0.003 . . . . . . . 668 THR H . 51945 1
309 . 1 . 1 95 95 THR C C 13 171.720 0.000 . . . . . . . 668 THR C . 51945 1
310 . 1 . 1 95 95 THR CA C 13 58.819 0.027 . . . . . . . 668 THR CA . 51945 1
311 . 1 . 1 95 95 THR CB C 13 68.749 0.000 . . . . . . . 668 THR CB . 51945 1
312 . 1 . 1 95 95 THR N N 15 115.730 0.025 . . . . . . . 668 THR N . 51945 1
313 . 1 . 1 96 96 PRO C C 13 176.465 0.000 . . . . . . . 669 PRO C . 51945 1
314 . 1 . 1 96 96 PRO CA C 13 63.696 0.045 . . . . . . . 669 PRO CA . 51945 1
315 . 1 . 1 96 96 PRO CB C 13 31.788 0.000 . . . . . . . 669 PRO CB . 51945 1
316 . 1 . 1 97 97 ASP H H 1 7.908 0.002 . . . . . . . 670 ASP H . 51945 1
317 . 1 . 1 97 97 ASP C C 13 176.753 0.011 . . . . . . . 670 ASP C . 51945 1
318 . 1 . 1 97 97 ASP CA C 13 52.263 0.025 . . . . . . . 670 ASP CA . 51945 1
319 . 1 . 1 97 97 ASP CB C 13 41.324 0.075 . . . . . . . 670 ASP CB . 51945 1
320 . 1 . 1 97 97 ASP N N 15 117.525 0.024 . . . . . . . 670 ASP N . 51945 1
321 . 1 . 1 98 98 SER H H 1 9.041 0.003 . . . . . . . 671 SER H . 51945 1
322 . 1 . 1 98 98 SER C C 13 175.499 0.000 . . . . . . . 671 SER C . 51945 1
323 . 1 . 1 98 98 SER CA C 13 60.360 0.050 . . . . . . . 671 SER CA . 51945 1
324 . 1 . 1 98 98 SER CB C 13 62.517 0.020 . . . . . . . 671 SER CB . 51945 1
325 . 1 . 1 98 98 SER N N 15 122.437 0.033 . . . . . . . 671 SER N . 51945 1
326 . 1 . 1 99 99 ALA H H 1 8.197 0.003 . . . . . . . 672 ALA H . 51945 1
327 . 1 . 1 99 99 ALA C C 13 179.569 0.006 . . . . . . . 672 ALA C . 51945 1
328 . 1 . 1 99 99 ALA CA C 13 54.373 0.015 . . . . . . . 672 ALA CA . 51945 1
329 . 1 . 1 99 99 ALA CB C 13 17.775 0.120 . . . . . . . 672 ALA CB . 51945 1
330 . 1 . 1 99 99 ALA N N 15 125.617 0.023 . . . . . . . 672 ALA N . 51945 1
331 . 1 . 1 100 100 ALA H H 1 7.760 0.004 . . . . . . . 673 ALA H . 51945 1
332 . 1 . 1 100 100 ALA C C 13 179.552 0.015 . . . . . . . 673 ALA C . 51945 1
333 . 1 . 1 100 100 ALA CA C 13 53.582 0.067 . . . . . . . 673 ALA CA . 51945 1
334 . 1 . 1 100 100 ALA CB C 13 17.988 0.043 . . . . . . . 673 ALA CB . 51945 1
335 . 1 . 1 100 100 ALA N N 15 120.450 0.017 . . . . . . . 673 ALA N . 51945 1
336 . 1 . 1 101 101 PHE H H 1 7.607 0.002 . . . . . . . 674 PHE H . 51945 1
337 . 1 . 1 101 101 PHE C C 13 177.218 0.009 . . . . . . . 674 PHE C . 51945 1
338 . 1 . 1 101 101 PHE CA C 13 60.190 0.129 . . . . . . . 674 PHE CA . 51945 1
339 . 1 . 1 101 101 PHE CB C 13 38.929 0.000 . . . . . . . 674 PHE CB . 51945 1
340 . 1 . 1 101 101 PHE N N 15 117.689 0.036 . . . . . . . 674 PHE N . 51945 1
341 . 1 . 1 102 102 ILE H H 1 7.679 0.003 . . . . . . . 675 ILE H . 51945 1
342 . 1 . 1 102 102 ILE C C 13 176.236 0.000 . . . . . . . 675 ILE C . 51945 1
343 . 1 . 1 102 102 ILE CA C 13 62.624 0.082 . . . . . . . 675 ILE CA . 51945 1
344 . 1 . 1 102 102 ILE N N 15 115.519 0.017 . . . . . . . 675 ILE N . 51945 1
345 . 1 . 1 103 103 GLN H H 1 7.737 0.004 . . . . . . . 676 GLN H . 51945 1
346 . 1 . 1 103 103 GLN C C 13 175.991 0.000 . . . . . . . 676 GLN C . 51945 1
347 . 1 . 1 103 103 GLN CA C 13 55.937 0.058 . . . . . . . 676 GLN CA . 51945 1
348 . 1 . 1 103 103 GLN CB C 13 28.639 0.160 . . . . . . . 676 GLN CB . 51945 1
349 . 1 . 1 103 103 GLN N N 15 119.555 0.027 . . . . . . . 676 GLN N . 51945 1
350 . 1 . 1 104 104 GLN H H 1 7.634 0.002 . . . . . . . 677 GLN H . 51945 1
351 . 1 . 1 104 104 GLN C C 13 174.884 0.023 . . . . . . . 677 GLN C . 51945 1
352 . 1 . 1 104 104 GLN CA C 13 55.661 0.077 . . . . . . . 677 GLN CA . 51945 1
353 . 1 . 1 104 104 GLN CB C 13 28.974 0.107 . . . . . . . 677 GLN CB . 51945 1
354 . 1 . 1 104 104 GLN N N 15 119.155 0.032 . . . . . . . 677 GLN N . 51945 1
355 . 1 . 1 105 105 SER H H 1 7.738 0.001 . . . . . . . 678 SER H . 51945 1
356 . 1 . 1 105 105 SER C C 13 178.247 0.000 . . . . . . . 678 SER C . 51945 1
357 . 1 . 1 105 105 SER CA C 13 60.059 0.018 . . . . . . . 678 SER CA . 51945 1
358 . 1 . 1 105 105 SER CB C 13 64.508 0.000 . . . . . . . 678 SER CB . 51945 1
359 . 1 . 1 105 105 SER N N 15 122.516 0.013 . . . . . . . 678 SER N . 51945 1
stop_
save_