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 51031
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name assigned_chem_shift
_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' . . . 51031 1
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $software_1 . . 51031 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 4 4 TYR H H 1 8.201316167 0.02273802994 . . . . . . . 4 TYR H . 51031 1
2 . 1 . 1 4 4 TYR N N 15 116.528888 0.09542145827 . . . . . . . 4 TYR N . 51031 1
3 . 1 . 1 5 5 ILE H H 1 7.806170296 0.01391930008 . . . . . . . 5 ILE H . 51031 1
4 . 1 . 1 5 5 ILE N N 15 120.5091719 0.0649512742 . . . . . . . 5 ILE N . 51031 1
5 . 1 . 1 6 6 TYR H H 1 7.014326327 0.02016432047 . . . . . . . 6 TYR H . 51031 1
6 . 1 . 1 6 6 TYR N N 15 119.0097825 0.08725998939 . . . . . . . 6 TYR N . 51031 1
7 . 1 . 1 7 7 LEU H H 1 7.770103218 0.003711597844 . . . . . . . 7 LEU H . 51031 1
8 . 1 . 1 7 7 LEU N N 15 119.8311674 0.09016620653 . . . . . . . 7 LEU N . 51031 1
9 . 1 . 1 8 8 GLY H H 1 8.667834998 0.007163877636 . . . . . . . 8 GLY H . 51031 1
10 . 1 . 1 8 8 GLY N N 15 106.3768301 0.03719533455 . . . . . . . 8 GLY N . 51031 1
11 . 1 . 1 9 9 GLY H H 1 8.763487723 0.01297825171 . . . . . . . 9 GLY H . 51031 1
12 . 1 . 1 9 9 GLY N N 15 109.4393818 0.04554021918 . . . . . . . 9 GLY N . 51031 1
13 . 1 . 1 10 10 ALA H H 1 8.901609017 0.004424340719 . . . . . . . 10 ALA H . 51031 1
14 . 1 . 1 10 10 ALA N N 15 124.6666467 0.0343369026 . . . . . . . 10 ALA N . 51031 1
15 . 1 . 1 17 17 GLY H H 1 8.446016245 0.01273925211 . . . . . . . 17 GLY H . 51031 1
16 . 1 . 1 17 17 GLY N N 15 108.4162206 0.1489749734 . . . . . . . 17 GLY N . 51031 1
17 . 1 . 1 21 21 MET H H 1 8.18861667 0.01698857605 . . . . . . . 21 MET H . 51031 1
18 . 1 . 1 21 21 MET N N 15 121.603335 0.058508847 . . . . . . . 21 MET N . 51031 1
19 . 1 . 1 22 22 LYS H H 1 7.630564527 0.0117442821 . . . . . . . 22 LYS H . 51031 1
20 . 1 . 1 22 22 LYS N N 15 124.8654373 0.01116982379 . . . . . . . 22 LYS N . 51031 1
21 . 1 . 1 23 23 PHE H H 1 7.459700374 0.007745983212 . . . . . . . 23 PHE H . 51031 1
22 . 1 . 1 23 23 PHE N N 15 118.794263 0.02637845868 . . . . . . . 23 PHE N . 51031 1
23 . 1 . 1 24 24 SER H H 1 7.961635525 0.01040831981 . . . . . . . 24 SER H . 51031 1
24 . 1 . 1 24 24 SER N N 15 113.7807722 0.05769730664 . . . . . . . 24 SER N . 51031 1
25 . 1 . 1 25 25 GLU H H 1 7.711804013 0.01465447787 . . . . . . . 25 GLU H . 51031 1
26 . 1 . 1 25 25 GLU N N 15 121.1441228 0.03534132546 . . . . . . . 25 GLU N . 51031 1
27 . 1 . 1 26 26 GLY H H 1 9.375161294 0.007300850588 . . . . . . . 26 GLY H . 51031 1
28 . 1 . 1 26 26 GLY N N 15 112.039979 0.01730406919 . . . . . . . 26 GLY N . 51031 1
29 . 1 . 1 27 27 PHE H H 1 7.933077002 0.02004629236 . . . . . . . 27 PHE H . 51031 1
30 . 1 . 1 27 27 PHE N N 15 113.542557 0.1975733875 . . . . . . . 27 PHE N . 51031 1
31 . 1 . 1 28 28 THR H H 1 7.531574062 0.004019977553 . . . . . . . 28 THR H . 51031 1
32 . 1 . 1 28 28 THR N N 15 102.4831592 0.07361416647 . . . . . . . 28 THR N . 51031 1
33 . 1 . 1 29 29 ARG H H 1 7.393875975 0.009411225795 . . . . . . . 29 ARG H . 51031 1
34 . 1 . 1 29 29 ARG N N 15 119.8678567 0.08272709035 . . . . . . . 29 ARG N . 51031 1
35 . 1 . 1 30 30 LEU H H 1 9.073751312 0.006690073989 . . . . . . . 30 LEU H . 51031 1
36 . 1 . 1 30 30 LEU N N 15 131.1984356 0.01987546536 . . . . . . . 30 LEU N . 51031 1
37 . 1 . 1 31 31 TRP H H 1 9.321691551 0.02902289208 . . . . . . . 31 TRP H . 51031 1
38 . 1 . 1 31 31 TRP N N 15 119.2119593 0.04186225089 . . . . . . . 31 TRP N . 51031 1
39 . 1 . 1 33 33 SER H H 1 7.399821393 0.02501573235 . . . . . . . 33 SER H . 51031 1
40 . 1 . 1 33 33 SER N N 15 115.8946026 0.07195256391 . . . . . . . 33 SER N . 51031 1
41 . 1 . 1 34 34 VAL H H 1 8.38720346 0.02063456165 . . . . . . . 34 VAL H . 51031 1
42 . 1 . 1 34 34 VAL N N 15 122.043075 0.05862339913 . . . . . . . 34 VAL N . 51031 1
43 . 1 . 1 35 35 GLY H H 1 8.809581978 0.006585870991 . . . . . . . 35 GLY H . 51031 1
44 . 1 . 1 35 35 GLY N N 15 105.0827329 0.05507800004 . . . . . . . 35 GLY N . 51031 1
45 . 1 . 1 36 36 THR H H 1 8.237537996 0.007032102434 . . . . . . . 36 THR H . 51031 1
46 . 1 . 1 36 36 THR N N 15 121.060076 0.04572017768 . . . . . . . 36 THR N . 51031 1
47 . 1 . 1 37 37 ILE H H 1 7.475111586 0.02190157076 . . . . . . . 37 ILE H . 51031 1
48 . 1 . 1 37 37 ILE N N 15 119.3034848 0.03220276124 . . . . . . . 37 ILE N . 51031 1
49 . 1 . 1 38 38 ILE H H 1 8.30977202 0.01192492562 . . . . . . . 38 ILE H . 51031 1
50 . 1 . 1 38 38 ILE N N 15 118.8153882 0.06580117389 . . . . . . . 38 ILE N . 51031 1
51 . 1 . 1 39 39 CYS H H 1 8.144908289 0.04304493108 . . . . . . . 39 CYS H . 51031 1
52 . 1 . 1 39 39 CYS N N 15 116.9680492 0.2068545043 . . . . . . . 39 CYS N . 51031 1
53 . 1 . 1 40 40 TYR H H 1 8.521800333 0.009475462333 . . . . . . . 40 TYR H . 51031 1
54 . 1 . 1 40 40 TYR N N 15 119.0890401 0.03713461065 . . . . . . . 40 TYR N . 51031 1
55 . 1 . 1 41 41 CYS H H 1 8.498276531 0.01400239474 . . . . . . . 41 CYS H . 51031 1
56 . 1 . 1 41 41 CYS N N 15 117.8972717 0.05002778599 . . . . . . . 41 CYS N . 51031 1
57 . 1 . 1 42 42 ALA H H 1 8.349787943 0.01673718605 . . . . . . . 42 ALA H . 51031 1
58 . 1 . 1 42 42 ALA N N 15 119.8122665 0.1403821028 . . . . . . . 42 ALA N . 51031 1
59 . 1 . 1 43 43 SER H H 1 8.547789253 0.0108944241 . . . . . . . 43 SER H . 51031 1
60 . 1 . 1 43 43 SER N N 15 112.4218204 0.04082225107 . . . . . . . 43 SER N . 51031 1
61 . 1 . 1 49 49 GLN H H 1 7.377644056 0.0204690498 . . . . . . . 49 GLN H . 51031 1
62 . 1 . 1 49 49 GLN N N 15 114.3932937 0.133277767 . . . . . . . 49 GLN N . 51031 1
63 . 1 . 1 51 51 LEU H H 1 7.240752058 0.02765874776 . . . . . . . 51 LEU H . 51031 1
64 . 1 . 1 51 51 LEU N N 15 120.0075072 0.1522035368 . . . . . . . 51 LEU N . 51031 1
65 . 1 . 1 52 52 ALA H H 1 7.116711226 0.04363890277 . . . . . . . 52 ALA H . 51031 1
66 . 1 . 1 52 52 ALA N N 15 118.9468556 0.03958657645 . . . . . . . 52 ALA N . 51031 1
67 . 1 . 1 53 53 TYR H H 1 7.661160569 0.01744237655 . . . . . . . 53 TYR H . 51031 1
68 . 1 . 1 53 53 TYR N N 15 113.667557 0.04684600738 . . . . . . . 53 TYR N . 51031 1
69 . 1 . 1 56 56 THR H H 1 8.214114912 0.0188245921 . . . . . . . 56 THR H . 51031 1
70 . 1 . 1 56 56 THR N N 15 118.3591675 0.09223857746 . . . . . . . 56 THR N . 51031 1
71 . 1 . 1 57 57 GLY H H 1 8.735324424 0.006050458479 . . . . . . . 57 GLY H . 51031 1
72 . 1 . 1 57 57 GLY N N 15 107.5498836 0.05471462159 . . . . . . . 57 GLY N . 51031 1
73 . 1 . 1 58 58 ILE H H 1 6.844307502 0.01598958481 . . . . . . . 58 ILE H . 51031 1
74 . 1 . 1 58 58 ILE N N 15 119.4672373 0.04570611484 . . . . . . . 58 ILE N . 51031 1
75 . 1 . 1 59 59 ALA H H 1 7.928982045 0.01632786727 . . . . . . . 59 ALA H . 51031 1
76 . 1 . 1 59 59 ALA N N 15 121.1518935 0.08892160122 . . . . . . . 59 ALA N . 51031 1
77 . 1 . 1 60 60 TYR H H 1 8.777636455 0.04658333558 . . . . . . . 60 TYR H . 51031 1
78 . 1 . 1 60 60 TYR N N 15 115.2256711 0.2830513354 . . . . . . . 60 TYR N . 51031 1
79 . 1 . 1 65 65 GLY H H 1 8.288307554 0.01070775042 . . . . . . . 65 GLY H . 51031 1
80 . 1 . 1 65 65 GLY N N 15 108.3592941 0.05833320256 . . . . . . . 65 GLY N . 51031 1
81 . 1 . 1 66 66 VAL H H 1 8.867236025 0.04373174745 . . . . . . . 66 VAL H . 51031 1
82 . 1 . 1 66 66 VAL N N 15 119.8789168 0.09568586431 . . . . . . . 66 VAL N . 51031 1
83 . 1 . 1 67 67 GLY H H 1 7.281173641 0.04363731963 . . . . . . . 67 GLY H . 51031 1
84 . 1 . 1 67 67 GLY N N 15 106.7111197 0.01357358614 . . . . . . . 67 GLY N . 51031 1
85 . 1 . 1 68 68 ILE H H 1 8.27282664 0.003705253181 . . . . . . . 68 ILE H . 51031 1
86 . 1 . 1 68 68 ILE N N 15 120.107725 0.05757587869 . . . . . . . 68 ILE N . 51031 1
87 . 1 . 1 69 69 VAL H H 1 7.407411721 0.01811108912 . . . . . . . 69 VAL H . 51031 1
88 . 1 . 1 69 69 VAL N N 15 119.5799279 0.04991021052 . . . . . . . 69 VAL N . 51031 1
89 . 1 . 1 73 73 LEU H H 1 8.293048536 0 . . . . . . . 73 LEU H . 51031 1
90 . 1 . 1 73 73 LEU N N 15 123.7631732 0 . . . . . . . 73 LEU N . 51031 1
91 . 1 . 1 75 75 SER H H 1 8.185077422 0.009923193869 . . . . . . . 75 SER H . 51031 1
92 . 1 . 1 75 75 SER N N 15 115.1248654 0.03608761534 . . . . . . . 75 SER N . 51031 1
93 . 1 . 1 76 76 TRP H H 1 7.712080504 0.01069202846 . . . . . . . 76 TRP H . 51031 1
94 . 1 . 1 76 76 TRP N N 15 124.8526625 0.03587003577 . . . . . . . 76 TRP N . 51031 1
95 . 1 . 1 77 77 GLY H H 1 8.169198436 0.02099605953 . . . . . . . 77 GLY H . 51031 1
96 . 1 . 1 77 77 GLY N N 15 103.8119694 0.01157751759 . . . . . . . 77 GLY N . 51031 1
97 . 1 . 1 78 78 PHE H H 1 8.457003308 0.008160781692 . . . . . . . 78 PHE H . 51031 1
98 . 1 . 1 78 78 PHE N N 15 114.5802514 0.05119361021 . . . . . . . 78 PHE N . 51031 1
99 . 1 . 1 79 79 PHE H H 1 6.821994737 0.007110179874 . . . . . . . 79 PHE H . 51031 1
100 . 1 . 1 79 79 PHE N N 15 112.2091274 0.03554599035 . . . . . . . 79 PHE N . 51031 1
101 . 1 . 1 80 80 GLY H H 1 7.443938732 0.009027921328 . . . . . . . 80 GLY H . 51031 1
102 . 1 . 1 80 80 GLY N N 15 108.8380929 0.005887955881 . . . . . . . 80 GLY N . 51031 1
103 . 1 . 1 81 81 GLN H H 1 7.657071614 0.01746420745 . . . . . . . 81 GLN H . 51031 1
104 . 1 . 1 81 81 GLN N N 15 119.4043202 0.08440373378 . . . . . . . 81 GLN N . 51031 1
105 . 1 . 1 82 82 ARG H H 1 7.766893882 0.01451770747 . . . . . . . 82 ARG H . 51031 1
106 . 1 . 1 82 82 ARG N N 15 125.773673 0.08184347199 . . . . . . . 82 ARG N . 51031 1
107 . 1 . 1 83 83 LEU H H 1 6.564334654 0.1086110824 . . . . . . . 83 LEU H . 51031 1
108 . 1 . 1 83 83 LEU N N 15 122.7883489 0.2386007629 . . . . . . . 83 LEU N . 51031 1
109 . 1 . 1 84 84 ASP H H 1 7.475858251 0.008598856111 . . . . . . . 84 ASP H . 51031 1
110 . 1 . 1 84 84 ASP N N 15 119.0448083 0.02981607663 . . . . . . . 84 ASP N . 51031 1
111 . 1 . 1 85 85 LEU H H 1 8.719994558 0.00333485465 . . . . . . . 85 LEU H . 51031 1
112 . 1 . 1 85 85 LEU N N 15 118.4945464 0.0167378734 . . . . . . . 85 LEU N . 51031 1
113 . 1 . 1 87 87 ALA H H 1 7.524921879 0.01116308591 . . . . . . . 87 ALA H . 51031 1
114 . 1 . 1 87 87 ALA N N 15 117.4087235 0.03192827114 . . . . . . . 87 ALA N . 51031 1
115 . 1 . 1 88 88 ILE H H 1 8.287132411 0.01761617028 . . . . . . . 88 ILE H . 51031 1
116 . 1 . 1 88 88 ILE N N 15 118.374777 0.02447143099 . . . . . . . 88 ILE N . 51031 1
117 . 1 . 1 89 89 ILE H H 1 8.711985507 0.01833443184 . . . . . . . 89 ILE H . 51031 1
118 . 1 . 1 89 89 ILE N N 15 119.2439214 0.03328918387 . . . . . . . 89 ILE N . 51031 1
119 . 1 . 1 90 90 GLY H H 1 8.818124173 0.006312739497 . . . . . . . 90 GLY H . 51031 1
120 . 1 . 1 90 90 GLY N N 15 107.3044999 0.0435736456 . . . . . . . 90 GLY N . 51031 1
121 . 1 . 1 91 91 MET H H 1 8.665675452 0.01123195058 . . . . . . . 91 MET H . 51031 1
122 . 1 . 1 91 91 MET N N 15 120.6986059 0.05379466048 . . . . . . . 91 MET N . 51031 1
123 . 1 . 1 92 92 MET H H 1 8.548868238 0.01345661029 . . . . . . . 92 MET H . 51031 1
124 . 1 . 1 92 92 MET N N 15 119.9884879 0.02615050305 . . . . . . . 92 MET N . 51031 1
125 . 1 . 1 102 102 ASN H H 1 7.364134263 0.03729931648 . . . . . . . 102 ASN H . 51031 1
126 . 1 . 1 102 102 ASN N N 15 114.2682247 0.120978037 . . . . . . . 102 ASN N . 51031 1
127 . 1 . 1 103 103 LEU H H 1 8.325097483 0.02534537737 . . . . . . . 103 LEU H . 51031 1
128 . 1 . 1 103 103 LEU N N 15 114.8191774 0.1906610658 . . . . . . . 103 LEU N . 51031 1
129 . 1 . 1 104 104 LEU H H 1 7.707594997 0.01194618168 . . . . . . . 104 LEU H . 51031 1
130 . 1 . 1 104 104 LEU N N 15 114.2921833 0.04076290292 . . . . . . . 104 LEU N . 51031 1
131 . 1 . 1 105 105 SER H H 1 7.117816243 0.003379252193 . . . . . . . 105 SER H . 51031 1
132 . 1 . 1 105 105 SER N N 15 112.5926799 0.155200677 . . . . . . . 105 SER N . 51031 1
133 . 1 . 1 106 106 ARG H H 1 9.302385318 0.05083456655 . . . . . . . 106 ARG H . 51031 1
134 . 1 . 1 106 106 ARG N N 15 127.2147074 0.1538258296 . . . . . . . 106 ARG N . 51031 1
135 . 1 . 1 107 107 SER H H 1 8.411176687 0.03562815486 . . . . . . . 107 SER H . 51031 1
136 . 1 . 1 107 107 SER N N 15 117.2333159 0.08966902962 . . . . . . . 107 SER N . 51031 1
137 . 1 . 1 108 108 THR H H 1 7.758573528 0.05016475188 . . . . . . . 108 THR H . 51031 1
138 . 1 . 1 108 108 THR N N 15 117.045262 0.1634675467 . . . . . . . 108 THR N . 51031 1
139 . 1 . 1 110 110 HIS H H 1 7.882433415 0.03437556199 . . . . . . . 110 HIS H . 51031 1
140 . 1 . 1 110 110 HIS N N 15 123.5590716 0.04128546021 . . . . . . . 110 HIS N . 51031 1
141 . 2 . 1 2 2 ASN H H 1 8.385437831 0.006361496986 . . . . . . . 2 ASN H . 51031 1
142 . 2 . 1 2 2 ASN N N 15 122.616457 0.05634282087 . . . . . . . 2 ASN N . 51031 1
143 . 2 . 1 4 4 TYR H H 1 8.371470332 0.02077938387 . . . . . . . 4 TYR H . 51031 1
144 . 2 . 1 4 4 TYR N N 15 116.5122628 0.02324648419 . . . . . . . 4 TYR N . 51031 1
145 . 2 . 1 5 5 ILE H H 1 7.775259424 0.03868897694 . . . . . . . 5 ILE H . 51031 1
146 . 2 . 1 5 5 ILE N N 15 121.2195345 0.01605872237 . . . . . . . 5 ILE N . 51031 1
147 . 2 . 1 6 6 TYR H H 1 6.890934255 0.01724178968 . . . . . . . 6 TYR H . 51031 1
148 . 2 . 1 6 6 TYR N N 15 118.9604387 0.07100086575 . . . . . . . 6 TYR N . 51031 1
149 . 2 . 1 7 7 LEU H H 1 7.97395535 0.007421763929 . . . . . . . 7 LEU H . 51031 1
150 . 2 . 1 7 7 LEU N N 15 119.9945403 0.01945933634 . . . . . . . 7 LEU N . 51031 1
151 . 2 . 1 8 8 GLY H H 1 8.749434371 0.007304613421 . . . . . . . 8 GLY H . 51031 1
152 . 2 . 1 8 8 GLY N N 15 106.4956037 0.01505271771 . . . . . . . 8 GLY N . 51031 1
153 . 2 . 1 9 9 GLY H H 1 8.745193712 0.0125765151 . . . . . . . 9 GLY H . 51031 1
154 . 2 . 1 9 9 GLY N N 15 109.4365235 0.05740444879 . . . . . . . 9 GLY N . 51031 1
155 . 2 . 1 10 10 ALA H H 1 8.845291091 0.02002528489 . . . . . . . 10 ALA H . 51031 1
156 . 2 . 1 10 10 ALA N N 15 124.8747483 0.05311131557 . . . . . . . 10 ALA N . 51031 1
157 . 2 . 1 11 11 ILE H H 1 8.524947682 0.01646420686 . . . . . . . 11 ILE H . 51031 1
158 . 2 . 1 11 11 ILE N N 15 122.696726 0.1543705617 . . . . . . . 11 ILE N . 51031 1
159 . 2 . 1 12 12 LEU H H 1 8.324175285 0.01428322089 . . . . . . . 12 LEU H . 51031 1
160 . 2 . 1 12 12 LEU N N 15 120.2094184 0.04742779467 . . . . . . . 12 LEU N . 51031 1
161 . 2 . 1 13 13 ALA H H 1 8.421148474 0.04379666663 . . . . . . . 13 ALA H . 51031 1
162 . 2 . 1 13 13 ALA N N 15 118.9775211 0.07504881191 . . . . . . . 13 ALA N . 51031 1
163 . 2 . 1 16 16 ILE H H 1 8.615280542 0.02052560091 . . . . . . . 16 ILE H . 51031 1
164 . 2 . 1 16 16 ILE N N 15 122.3069085 0.0263004351 . . . . . . . 16 ILE N . 51031 1
165 . 2 . 1 17 17 GLY H H 1 8.514349274 0.00972487133 . . . . . . . 17 GLY H . 51031 1
166 . 2 . 1 17 17 GLY N N 15 108.4991985 0.01704045449 . . . . . . . 17 GLY N . 51031 1
167 . 2 . 1 20 20 LEU H H 1 8.305512541 0.01156106114 . . . . . . . 20 LEU H . 51031 1
168 . 2 . 1 20 20 LEU N N 15 120.7468994 0.05980857036 . . . . . . . 20 LEU N . 51031 1
169 . 2 . 1 21 21 MET H H 1 8.241772099 0.02831075181 . . . . . . . 21 MET H . 51031 1
170 . 2 . 1 21 21 MET N N 15 121.2134811 0.165095706 . . . . . . . 21 MET N . 51031 1
171 . 2 . 1 22 22 LYS H H 1 7.724868527 0.02414833665 . . . . . . . 22 LYS H . 51031 1
172 . 2 . 1 22 22 LYS N N 15 122.4399498 0.108181076 . . . . . . . 22 LYS N . 51031 1
173 . 2 . 1 23 23 PHE H H 1 7.594132572 0.02445413498 . . . . . . . 23 PHE H . 51031 1
174 . 2 . 1 23 23 PHE N N 15 117.7886181 0.07144612763 . . . . . . . 23 PHE N . 51031 1
175 . 2 . 1 24 24 SER H H 1 7.900933148 0.005899046877 . . . . . . . 24 SER H . 51031 1
176 . 2 . 1 24 24 SER N N 15 115.0014151 0.05092470974 . . . . . . . 24 SER N . 51031 1
177 . 2 . 1 25 25 GLU H H 1 8.118814004 0.02271974208 . . . . . . . 25 GLU H . 51031 1
178 . 2 . 1 25 25 GLU N N 15 122.129342 0.02855996322 . . . . . . . 25 GLU N . 51031 1
179 . 2 . 1 26 26 GLY H H 1 9.132611651 0.005412086654 . . . . . . . 26 GLY H . 51031 1
180 . 2 . 1 26 26 GLY N N 15 112.9170119 0.0234757269 . . . . . . . 26 GLY N . 51031 1
181 . 2 . 1 27 27 PHE H H 1 7.921851652 0.01522593136 . . . . . . . 27 PHE H . 51031 1
182 . 2 . 1 27 27 PHE N N 15 113.935826 0.09093788634 . . . . . . . 27 PHE N . 51031 1
183 . 2 . 1 28 28 THR H H 1 7.555806256 0.002397207596 . . . . . . . 28 THR H . 51031 1
184 . 2 . 1 28 28 THR N N 15 102.3907291 0.04349034656 . . . . . . . 28 THR N . 51031 1
185 . 2 . 1 29 29 ARG H H 1 7.546090157 0.008274877464 . . . . . . . 29 ARG H . 51031 1
186 . 2 . 1 29 29 ARG N N 15 120.6870175 0.02523683234 . . . . . . . 29 ARG N . 51031 1
187 . 2 . 1 30 30 LEU H H 1 8.941139311 0.007890986639 . . . . . . . 30 LEU H . 51031 1
188 . 2 . 1 30 30 LEU N N 15 130.9151696 0.02286571178 . . . . . . . 30 LEU N . 51031 1
189 . 2 . 1 31 31 TRP H H 1 9.20258677 0.03086031037 . . . . . . . 31 TRP H . 51031 1
190 . 2 . 1 31 31 TRP N N 15 118.7184928 0.04869124875 . . . . . . . 31 TRP N . 51031 1
191 . 2 . 1 33 33 SER H H 1 7.279558424 0.01352500294 . . . . . . . 33 SER H . 51031 1
192 . 2 . 1 33 33 SER N N 15 115.6096317 0.04935614928 . . . . . . . 33 SER N . 51031 1
193 . 2 . 1 34 34 VAL H H 1 8.397792519 0.01754854728 . . . . . . . 34 VAL H . 51031 1
194 . 2 . 1 34 34 VAL N N 15 121.8625352 0.0373477392 . . . . . . . 34 VAL N . 51031 1
195 . 2 . 1 35 35 GLY H H 1 8.809764567 0.01735108627 . . . . . . . 35 GLY H . 51031 1
196 . 2 . 1 35 35 GLY N N 15 105.4266964 0.1146091872 . . . . . . . 35 GLY N . 51031 1
197 . 2 . 1 36 36 THR H H 1 8.301654665 0.004761510401 . . . . . . . 36 THR H . 51031 1
198 . 2 . 1 36 36 THR N N 15 121.1620497 0.0650862714 . . . . . . . 36 THR N . 51031 1
199 . 2 . 1 37 37 ILE H H 1 7.495807278 0.008092443897 . . . . . . . 37 ILE H . 51031 1
200 . 2 . 1 37 37 ILE N N 15 119.388378 0.04729443616 . . . . . . . 37 ILE N . 51031 1
201 . 2 . 1 39 39 CYS H H 1 8.28149275 0.02331838614 . . . . . . . 39 CYS H . 51031 1
202 . 2 . 1 39 39 CYS N N 15 116.7232197 0.1975095775 . . . . . . . 39 CYS N . 51031 1
203 . 2 . 1 40 40 TYR H H 1 8.586055525 0.007252577992 . . . . . . . 40 TYR H . 51031 1
204 . 2 . 1 40 40 TYR N N 15 119.0360654 0.09304382652 . . . . . . . 40 TYR N . 51031 1
205 . 2 . 1 41 41 CYS H H 1 8.598336153 0.007401099162 . . . . . . . 41 CYS H . 51031 1
206 . 2 . 1 41 41 CYS N N 15 117.9330519 0.03394627201 . . . . . . . 41 CYS N . 51031 1
207 . 2 . 1 42 42 ALA H H 1 8.391728593 0.01846328595 . . . . . . . 42 ALA H . 51031 1
208 . 2 . 1 42 42 ALA N N 15 119.9782671 0.03847051995 . . . . . . . 42 ALA N . 51031 1
209 . 2 . 1 43 43 SER H H 1 8.455988981 0.007321793148 . . . . . . . 43 SER H . 51031 1
210 . 2 . 1 43 43 SER N N 15 112.0178838 0.07053658957 . . . . . . . 43 SER N . 51031 1
211 . 2 . 1 44 44 PHE H H 1 8.271591279 0.04260864962 . . . . . . . 44 PHE H . 51031 1
212 . 2 . 1 44 44 PHE N N 15 116.118429 0.1550465072 . . . . . . . 44 PHE N . 51031 1
213 . 2 . 1 47 47 LEU H H 1 8.564265708 0.02591471716 . . . . . . . 47 LEU H . 51031 1
214 . 2 . 1 47 47 LEU N N 15 120.9784824 0.01402805971 . . . . . . . 47 LEU N . 51031 1
215 . 2 . 1 48 48 ALA H H 1 8.708764979 0.0284018543 . . . . . . . 48 ALA H . 51031 1
216 . 2 . 1 48 48 ALA N N 15 121.3875008 0.01521008078 . . . . . . . 48 ALA N . 51031 1
217 . 2 . 1 49 49 GLN H H 1 7.330077872 0.01267256884 . . . . . . . 49 GLN H . 51031 1
218 . 2 . 1 49 49 GLN N N 15 114.8168055 0.05283445698 . . . . . . . 49 GLN N . 51031 1
219 . 2 . 1 50 50 THR H H 1 7.447786373 0.01272927804 . . . . . . . 50 THR H . 51031 1
220 . 2 . 1 50 50 THR N N 15 107.4297979 0.1536176301 . . . . . . . 50 THR N . 51031 1
221 . 2 . 1 51 51 LEU H H 1 6.870198586 0.01294619059 . . . . . . . 51 LEU H . 51031 1
222 . 2 . 1 51 51 LEU N N 15 117.8417852 0.02287085127 . . . . . . . 51 LEU N . 51031 1
223 . 2 . 1 52 52 ALA H H 1 7.046412161 0.01534109824 . . . . . . . 52 ALA H . 51031 1
224 . 2 . 1 52 52 ALA N N 15 120.0414167 0.02697296402 . . . . . . . 52 ALA N . 51031 1
225 . 2 . 1 53 53 TYR H H 1 7.491462663 0.009914401922 . . . . . . . 53 TYR H . 51031 1
226 . 2 . 1 53 53 TYR N N 15 113.1434687 0.02141024885 . . . . . . . 53 TYR N . 51031 1
227 . 2 . 1 56 56 THR H H 1 9.148705102 0.004954563995 . . . . . . . 56 THR H . 51031 1
228 . 2 . 1 56 56 THR N N 15 124.5900294 0.06644112805 . . . . . . . 56 THR N . 51031 1
229 . 2 . 1 57 57 GLY H H 1 10.06686059 0.003043905527 . . . . . . . 57 GLY H . 51031 1
230 . 2 . 1 57 57 GLY N N 15 107.1751012 0.03306850605 . . . . . . . 57 GLY N . 51031 1
231 . 2 . 1 58 58 ILE H H 1 6.519483837 0.002820481315 . . . . . . . 58 ILE H . 51031 1
232 . 2 . 1 58 58 ILE N N 15 118.3943584 0.05009259627 . . . . . . . 58 ILE N . 51031 1
233 . 2 . 1 60 60 TYR H H 1 8.593925 0.03012078208 . . . . . . . 60 TYR H . 51031 1
234 . 2 . 1 60 60 TYR N N 15 115.881448 0.06435625801 . . . . . . . 60 TYR N . 51031 1
235 . 2 . 1 65 65 GLY H H 1 8.742639053 0.009112611615 . . . . . . . 65 GLY H . 51031 1
236 . 2 . 1 65 65 GLY N N 15 107.7111712 0.05559104547 . . . . . . . 65 GLY N . 51031 1
237 . 2 . 1 66 66 VAL H H 1 8.960094852 0.018674991 . . . . . . . 66 VAL H . 51031 1
238 . 2 . 1 66 66 VAL N N 15 120.3401864 0.08113249083 . . . . . . . 66 VAL N . 51031 1
239 . 2 . 1 67 67 GLY H H 1 7.117580015 0.01734703538 . . . . . . . 67 GLY H . 51031 1
240 . 2 . 1 67 67 GLY N N 15 106.0407645 0.1017183886 . . . . . . . 67 GLY N . 51031 1
241 . 2 . 1 69 69 VAL H H 1 7.614576381 0.005643525225 . . . . . . . 69 VAL H . 51031 1
242 . 2 . 1 69 69 VAL N N 15 123.0040082 0.1062774354 . . . . . . . 69 VAL N . 51031 1
243 . 2 . 1 70 70 LEU H H 1 8.210695174 0.005955923202 . . . . . . . 70 LEU H . 51031 1
244 . 2 . 1 70 70 LEU N N 15 117.403436 0.08505085065 . . . . . . . 70 LEU N . 51031 1
245 . 2 . 1 71 71 ILE H H 1 8.820193416 0.0164537498 . . . . . . . 71 ILE H . 51031 1
246 . 2 . 1 71 71 ILE N N 15 119.089351 0.08113737577 . . . . . . . 71 ILE N . 51031 1
247 . 2 . 1 72 72 SER H H 1 7.96004168 0.0183400773 . . . . . . . 72 SER H . 51031 1
248 . 2 . 1 72 72 SER N N 15 119.4285875 0.06248008735 . . . . . . . 72 SER N . 51031 1
249 . 2 . 1 73 73 LEU H H 1 8.127474395 0.0253261964 . . . . . . . 73 LEU H . 51031 1
250 . 2 . 1 73 73 LEU N N 15 121.3008832 0.1955569659 . . . . . . . 73 LEU N . 51031 1
251 . 2 . 1 74 74 LEU H H 1 8.656352523 0.01372367437 . . . . . . . 74 LEU H . 51031 1
252 . 2 . 1 74 74 LEU N N 15 119.9878302 0.08069175659 . . . . . . . 74 LEU N . 51031 1
253 . 2 . 1 75 75 SER H H 1 8.498484658 0.01997379714 . . . . . . . 75 SER H . 51031 1
254 . 2 . 1 75 75 SER N N 15 117.0060239 0.02258968645 . . . . . . . 75 SER N . 51031 1
255 . 2 . 1 76 76 TRP H H 1 7.797483322 0.007601252322 . . . . . . . 76 TRP H . 51031 1
256 . 2 . 1 76 76 TRP N N 15 124.3465856 0.03264268283 . . . . . . . 76 TRP N . 51031 1
257 . 2 . 1 77 77 GLY H H 1 8.680076856 0.00605821462 . . . . . . . 77 GLY H . 51031 1
258 . 2 . 1 77 77 GLY N N 15 105.2502299 0.04467597258 . . . . . . . 77 GLY N . 51031 1
259 . 2 . 1 78 78 PHE H H 1 8.18875689 0.01407542409 . . . . . . . 78 PHE H . 51031 1
260 . 2 . 1 78 78 PHE N N 15 113.289576 0.08118617169 . . . . . . . 78 PHE N . 51031 1
261 . 2 . 1 79 79 PHE H H 1 7.165900375 0.008973615029 . . . . . . . 79 PHE H . 51031 1
262 . 2 . 1 79 79 PHE N N 15 114.017705 0.02500935398 . . . . . . . 79 PHE N . 51031 1
263 . 2 . 1 80 80 GLY H H 1 7.915902392 0.00161646921 . . . . . . . 80 GLY H . 51031 1
264 . 2 . 1 80 80 GLY N N 15 108.8605862 0.02128896774 . . . . . . . 80 GLY N . 51031 1
265 . 2 . 1 81 81 GLN H H 1 7.735434509 0.00491218382 . . . . . . . 81 GLN H . 51031 1
266 . 2 . 1 81 81 GLN N N 15 120.3059873 0.06195374085 . . . . . . . 81 GLN N . 51031 1
267 . 2 . 1 82 82 ARG H H 1 8.234648549 0.004080046056 . . . . . . . 82 ARG H . 51031 1
268 . 2 . 1 82 82 ARG N N 15 123.7075241 0.02992581831 . . . . . . . 82 ARG N . 51031 1
269 . 2 . 1 83 83 LEU H H 1 8.068773979 0.01500377439 . . . . . . . 83 LEU H . 51031 1
270 . 2 . 1 83 83 LEU N N 15 124.2267528 0.06201925353 . . . . . . . 83 LEU N . 51031 1
271 . 2 . 1 84 84 ASP H H 1 7.451239474 0.009460656052 . . . . . . . 84 ASP H . 51031 1
272 . 2 . 1 84 84 ASP N N 15 120.419955 0.08535900688 . . . . . . . 84 ASP N . 51031 1
273 . 2 . 1 85 85 LEU H H 1 8.725362627 0.005277494307 . . . . . . . 85 LEU H . 51031 1
274 . 2 . 1 85 85 LEU N N 15 118.7566763 0.04530369316 . . . . . . . 85 LEU N . 51031 1
275 . 2 . 1 87 87 ALA H H 1 7.479849273 0.009338610389 . . . . . . . 87 ALA H . 51031 1
276 . 2 . 1 87 87 ALA N N 15 117.5982248 0.03705784687 . . . . . . . 87 ALA N . 51031 1
277 . 2 . 1 88 88 ILE H H 1 7.914612284 0.002506895962 . . . . . . . 88 ILE H . 51031 1
278 . 2 . 1 88 88 ILE N N 15 117.9438332 0.01174200696 . . . . . . . 88 ILE N . 51031 1
279 . 2 . 1 89 89 ILE H H 1 8.663487323 0.01698324212 . . . . . . . 89 ILE H . 51031 1
280 . 2 . 1 89 89 ILE N N 15 119.4124655 0.05473664839 . . . . . . . 89 ILE N . 51031 1
281 . 2 . 1 90 90 GLY H H 1 8.801652381 0.002840713956 . . . . . . . 90 GLY H . 51031 1
282 . 2 . 1 90 90 GLY N N 15 107.2546182 0.01196116326 . . . . . . . 90 GLY N . 51031 1
283 . 2 . 1 91 91 MET H H 1 8.551602121 0.003820534706 . . . . . . . 91 MET H . 51031 1
284 . 2 . 1 91 91 MET N N 15 119.6195914 0.01935501806 . . . . . . . 91 MET N . 51031 1
285 . 2 . 1 95 95 CYS H H 1 8.108001658 0.007168967018 . . . . . . . 95 CYS H . 51031 1
286 . 2 . 1 95 95 CYS N N 15 115.9416653 0.03562445161 . . . . . . . 95 CYS N . 51031 1
287 . 2 . 1 100 100 ILE H H 1 8.379816972 0.01186960406 . . . . . . . 100 ILE H . 51031 1
288 . 2 . 1 100 100 ILE N N 15 118.8403848 0.05986464863 . . . . . . . 100 ILE N . 51031 1
289 . 2 . 1 101 101 ILE H H 1 7.774915289 0.009240969135 . . . . . . . 101 ILE H . 51031 1
290 . 2 . 1 101 101 ILE N N 15 118.4206986 0.02385540642 . . . . . . . 101 ILE N . 51031 1
291 . 2 . 1 102 102 ASN H H 1 8.152835766 0.01069233421 . . . . . . . 102 ASN H . 51031 1
292 . 2 . 1 102 102 ASN N N 15 115.2795185 0.04570751872 . . . . . . . 102 ASN N . 51031 1
293 . 2 . 1 103 103 LEU H H 1 8.436785461 0.01005416465 . . . . . . . 103 LEU H . 51031 1
294 . 2 . 1 103 103 LEU N N 15 114.5118421 0.03704826158 . . . . . . . 103 LEU N . 51031 1
295 . 2 . 1 104 104 LEU H H 1 7.760567042 0.01507954366 . . . . . . . 104 LEU H . 51031 1
296 . 2 . 1 104 104 LEU N N 15 114.1201785 0.05035890835 . . . . . . . 104 LEU N . 51031 1
297 . 2 . 1 105 105 SER H H 1 7.516646088 0.002517282297 . . . . . . . 105 SER H . 51031 1
298 . 2 . 1 105 105 SER N N 15 111.7643677 0.04553872143 . . . . . . . 105 SER N . 51031 1
299 . 2 . 1 106 106 ARG H H 1 10.04294375 0.01395803139 . . . . . . . 106 ARG H . 51031 1
300 . 2 . 1 106 106 ARG N N 15 129.0644103 0.0319402016 . . . . . . . 106 ARG N . 51031 1
301 . 2 . 1 107 107 SER H H 1 8.527438161 0.0102456582 . . . . . . . 107 SER H . 51031 1
302 . 2 . 1 107 107 SER N N 15 117.6867699 0.07548886987 . . . . . . . 107 SER N . 51031 1
303 . 2 . 1 108 108 THR H H 1 7.621818439 0.02807084419 . . . . . . . 108 THR H . 51031 1
304 . 2 . 1 108 108 THR N N 15 114.0847079 0.1325084469 . . . . . . . 108 THR N . 51031 1
305 . 2 . 1 110 110 HIS H H 1 7.773753218 0.03927358002 . . . . . . . 110 HIS H . 51031 1
306 . 2 . 1 110 110 HIS N N 15 123.3921271 0.0869593121 . . . . . . . 110 HIS N . 51031 1
stop_
save_