################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### 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 27127 _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' . . . 27127 1 2 '3D HNCO' . . . 27127 1 3 '3D HNCACB' . . . 27127 1 4 '3D CBCA(CO)NH' . . . 27127 1 5 '3D CCcoCNH TOCSY' . . . 27127 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 $NMRView . . 27127 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 8.4473 0.0000 . 1 . . . . . 1 MET H . 27127 1 2 . 1 1 3 3 MET C C 13 174.7933 0.0000 . 1 . . . . . 1 MET C . 27127 1 3 . 1 1 3 3 MET CA C 13 55.3230 0.0000 . 1 . . 21141 . . 1 MET CA . 27127 1 4 . 1 1 3 3 MET CB C 13 32.6100 0.0000 . 1 . . 21144 . . 1 MET CB . 27127 1 5 . 1 1 3 3 MET N N 15 121.7478 0.0000 . 1 . . . . . 1 MET CB . 27127 1 6 . 1 1 4 4 ARG H H 1 8.6916 0.0000 . 1 . . 21673 . . 2 ARG H . 27127 1 7 . 1 1 4 4 ARG C C 13 175.2648 0.0000 . 1 . . . . . 2 ARG C . 27127 1 8 . 1 1 4 4 ARG CA C 13 56.9530 0.0000 . 1 . . 23255 . . 2 ARG CA . 27127 1 9 . 1 1 4 4 ARG CB C 13 31.3210 0.0000 . 1 . . 21774 . . 2 ARG CB . 27127 1 10 . 1 1 4 4 ARG CG C 13 26.5600 0.0000 . 1 . . . . . 2 ARG CG . 27127 1 11 . 1 1 4 4 ARG CD C 13 44.0410 0.0000 . 1 . . . . . 2 ARG CD . 27127 1 12 . 1 1 4 4 ARG N N 15 122.8633 0.0000 . 1 . . 21674 . . 2 ARG N . 27127 1 13 . 1 1 5 5 ALA H H 1 8.4319 0.0000 . 1 . . 22603 . . 3 ALA H . 27127 1 14 . 1 1 5 5 ALA C C 13 174.6239 0.0000 . 1 . . . . . 3 ALA C . 27127 1 15 . 1 1 5 5 ALA CA C 13 52.0320 0.0000 . 1 . . 21771 . . 3 ALA CA . 27127 1 16 . 1 1 5 5 ALA CB C 13 18.9780 0.0000 . 1 . . 22011 . . 3 ALA CB . 27127 1 17 . 1 1 5 5 ALA N N 15 127.9567 0.0000 . 1 . . 22604 . . 3 ALA N . 27127 1 18 . 1 1 6 6 LEU H H 1 7.6862 0.0000 . 1 . . 22012 . . 4 LEU H . 27127 1 19 . 1 1 6 6 LEU C C 13 174.8460 0.0000 . 1 . . . . . 4 LEU C . 27127 1 20 . 1 1 6 6 LEU CA C 13 52.5860 0.0000 . 1 . . 21630 . . 4 LEU CA . 27127 1 21 . 1 1 6 6 LEU CB C 13 44.0030 0.0000 . 1 . . 22014 . . 4 LEU CB . 27127 1 22 . 1 1 6 6 LEU CG C 13 26.0140 0.0000 . 1 . . . . . 4 LEU CG . 27127 1 23 . 1 1 6 6 LEU CD1 C 13 26.8200 0.0000 . 2 . . . . . 4 LEU CD1 . 27127 1 24 . 1 1 6 6 LEU CD2 C 13 21.9690 0.0000 . 2 . . . . . 4 LEU CD2 . 27127 1 25 . 1 1 6 6 LEU N N 15 122.1771 0.0000 . 1 . . 22013 . . 4 LEU N . 27127 1 26 . 1 1 7 7 PHE H H 1 8.9420 0.0000 . 1 . . 21622 . . 5 PHE H . 27127 1 27 . 1 1 7 7 PHE C C 13 175.0602 0.0000 . 1 . . . . . 5 PHE C . 27127 1 28 . 1 1 7 7 PHE CA C 13 58.3780 0.0000 . 1 . . 21624 . . 5 PHE CA . 27127 1 29 . 1 1 7 7 PHE CB C 13 40.0500 0.0000 . 1 . . 22350 . . 5 PHE CB . 27127 1 30 . 1 1 7 7 PHE N N 15 119.8664 0.0000 . 1 . . 21623 . . 5 PHE N . 27127 1 31 . 1 1 8 8 TYR H H 1 8.1343 0.0000 . 1 . . 21865 . . 6 TYR H . 27127 1 32 . 1 1 8 8 TYR C C 13 175.3685 0.0000 . 1 . . . . . 6 TYR C . 27127 1 33 . 1 1 8 8 TYR CA C 13 56.7460 0.0000 . 1 . . 22293 . . 6 TYR CA . 27127 1 34 . 1 1 8 8 TYR CB C 13 41.4550 0.0000 . 1 . . 21867 . . 6 TYR CB . 27127 1 35 . 1 1 8 8 TYR N N 15 124.4568 0.0000 . 1 . . 21866 . . 6 TYR N . 27127 1 36 . 1 1 9 9 LYS H H 1 8.5762 0.0000 . 1 . . 22582 . . 7 LYS H . 27127 1 37 . 1 1 9 9 LYS C C 13 174.4485 0.0000 . 1 . . . . . 7 LYS C . 27127 1 38 . 1 1 9 9 LYS CA C 13 56.6150 0.0000 . 1 . . 22182 . . 7 LYS CA . 27127 1 39 . 1 1 9 9 LYS CB C 13 34.4280 0.0000 . 1 . . 21711 . . 7 LYS CB . 27127 1 40 . 1 1 9 9 LYS CG C 13 23.8900 0.0000 . 1 . . . . . 7 LYS CG . 27127 1 41 . 1 1 9 9 LYS CD C 13 28.2200 0.0000 . 1 . . . . . 7 LYS CD . 27127 1 42 . 1 1 9 9 LYS CE C 13 41.7630 0.0000 . 1 . . . . . 7 LYS CE . 27127 1 43 . 1 1 9 9 LYS N N 15 127.1831 0.0000 . 1 . . 22583 . . 7 LYS N . 27127 1 44 . 1 1 10 10 ASP H H 1 9.2443 0.0000 . 1 . . 22180 . . 8 ASP H . 27127 1 45 . 1 1 10 10 ASP C C 13 175.6918 0.0000 . 1 . . . . . 8 ASP C . 27127 1 46 . 1 1 10 10 ASP CA C 13 55.3500 0.0000 . 1 . . 22146 . . 8 ASP CA . 27127 1 47 . 1 1 10 10 ASP CB C 13 39.6850 0.0000 . 1 . . 23277 . . 8 ASP CB . 27127 1 48 . 1 1 10 10 ASP N N 15 127.2628 0.0000 . 1 . . 22181 . . 8 ASP N . 27127 1 49 . 1 1 11 11 GLY H H 1 5.9460 0.0000 . 1 . . 22147 . . 9 GLY H . 27127 1 50 . 1 1 11 11 GLY C C 13 174.8330 0.0000 . 1 . . . . . 9 GLY C . 27127 1 51 . 1 1 11 11 GLY CA C 13 45.0950 0.0000 . 1 . . 22149 . . 9 GLY CA . 27127 1 52 . 1 1 11 11 GLY N N 15 99.9186 0.0000 . 1 . . 22148 . . 9 GLY N . 27127 1 53 . 1 1 12 12 LYS H H 1 7.4449 0.0000 . 1 . . 22057 . . 10 LYS H . 27127 1 54 . 1 1 12 12 LYS C C 13 172.4947 0.0000 . 1 . . . . . 10 LYS C . 27127 1 55 . 1 1 12 12 LYS CA C 13 53.7120 0.0000 . 1 . . 22059 . . 10 LYS CA . 27127 1 56 . 1 1 12 12 LYS CB C 13 35.0860 0.0000 . 1 . . 22428 . . 10 LYS CB . 27127 1 57 . 1 1 12 12 LYS CG C 13 24.4830 0.0000 . 1 . . . . . 10 LYS CG . 27127 1 58 . 1 1 12 12 LYS CD C 13 28.1670 0.0000 . 1 . . . . . 10 LYS CD . 27127 1 59 . 1 1 12 12 LYS CE C 13 42.1790 0.0000 . 1 . . . . . 10 LYS CE . 27127 1 60 . 1 1 12 12 LYS N N 15 119.8509 0.0000 . 1 . . 22058 . . 10 LYS N . 27127 1 61 . 1 1 13 13 LEU H H 1 7.4557 0.0000 . 1 . . 22045 . . 11 LEU H . 27127 1 62 . 1 1 13 13 LEU C C 13 173.7532 0.0000 . 1 . . . . . 11 LEU C . 27127 1 63 . 1 1 13 13 LEU CA C 13 52.9300 0.0000 . 1 . . 21570 . . 11 LEU CA . 27127 1 64 . 1 1 13 13 LEU CB C 13 45.9020 0.0000 . 1 . . 22164 . . 11 LEU CB . 27127 1 65 . 1 1 13 13 LEU CD1 C 13 25.5620 0.0000 . 2 . . . . . 11 LEU CD1 . 27127 1 66 . 1 1 13 13 LEU CD2 C 13 23.4490 0.0000 . 2 . . . . . 11 LEU CD2 . 27127 1 67 . 1 1 13 13 LEU N N 15 117.4606 0.0000 . 1 . . 22046 . . 11 LEU N . 27127 1 68 . 1 1 14 14 PHE H H 1 9.3315 0.0000 . 1 . . 21571 . . 12 PHE H . 27127 1 69 . 1 1 14 14 PHE C C 13 176.2921 0.0000 . 1 . . . . . 12 PHE C . 27127 1 70 . 1 1 14 14 PHE CA C 13 56.6600 0.0000 . 1 . . 21567 . . 12 PHE CA . 27127 1 71 . 1 1 14 14 PHE CB C 13 43.3930 0.0000 . 1 . . 21048 . . 12 PHE CB . 27127 1 72 . 1 1 14 14 PHE N N 15 119.6794 0.0000 . 1 . . 21572 . . 12 PHE N . 27127 1 73 . 1 1 15 15 THR H H 1 9.2654 0.0000 . 1 . . 22519 . . 13 THR H . 27127 1 74 . 1 1 15 15 THR C C 13 176.1615 0.0000 . 1 . . . . . 13 THR C . 27127 1 75 . 1 1 15 15 THR CA C 13 63.1830 0.0000 . 1 . . 21072 . . 13 THR CA . 27127 1 76 . 1 1 15 15 THR CB C 13 69.5210 0.0000 . 1 . . 22173 . . 13 THR CB . 27127 1 77 . 1 1 15 15 THR CG2 C 13 23.0380 0.0000 . 1 . . . . . 13 THR CG2 . 27127 1 78 . 1 1 15 15 THR N N 15 109.7074 0.0000 . 1 . . 22520 . . 13 THR N . 27127 1 79 . 1 1 16 16 ASP H H 1 9.1320 0.0000 . 1 . . 22204 . . 14 ASP H . 27127 1 80 . 1 1 16 16 ASP C C 13 174.5246 0.0000 . 1 . . . . . 14 ASP C . 27127 1 81 . 1 1 16 16 ASP CA C 13 51.6760 0.0000 . 1 . . 21597 . . 14 ASP CA . 27127 1 82 . 1 1 16 16 ASP CB C 13 44.9070 0.0000 . 1 . . 21960 . . 14 ASP CB . 27127 1 83 . 1 1 16 16 ASP N N 15 120.2542 0.0000 . 1 . . 22205 . . 14 ASP N . 27127 1 84 . 1 1 17 17 ASN H H 1 7.8383 0.0000 . 1 . . 21958 . . 15 ASN H . 27127 1 85 . 1 1 17 17 ASN C C 13 174.8640 0.0000 . 1 . . . . . 15 ASN C . 27127 1 86 . 1 1 17 17 ASN CA C 13 52.8530 0.0000 . 1 . . 21954 . . 15 ASN CA . 27127 1 87 . 1 1 17 17 ASN CB C 13 36.7130 0.0000 . 1 . . 21966 . . 15 ASN CB . 27127 1 88 . 1 1 17 17 ASN N N 15 116.7503 0.0000 . 1 . . 21959 . . 15 ASN N . 27127 1 89 . 1 1 18 18 ASN H H 1 6.7517 0.0000 . 1 . . 22135 . . 16 ASN H . 27127 1 90 . 1 1 18 18 ASN C C 13 173.8074 0.0000 . 1 . . . . . 16 ASN C . 27127 1 91 . 1 1 18 18 ASN CA C 13 52.2450 0.0000 . 1 . . 21492 . . 16 ASN CA . 27127 1 92 . 1 1 18 18 ASN CB C 13 38.8360 0.0000 . 1 . . 22134 . . 16 ASN CB . 27127 1 93 . 1 1 18 18 ASN N N 15 113.0119 0.0000 . 1 . . 22136 . . 16 ASN N . 27127 1 94 . 1 1 19 19 PHE H H 1 6.9615 0.0000 . 1 . . 22120 . . 17 PHE H . 27127 1 95 . 1 1 19 19 PHE C C 13 173.6130 0.0000 . 1 . . . . . 17 PHE C . 27127 1 96 . 1 1 19 19 PHE CA C 13 57.7870 0.0000 . 1 . . 22155 . . 17 PHE CA . 27127 1 97 . 1 1 19 19 PHE CB C 13 34.7560 0.0000 . 1 . . 23260 . . 17 PHE CB . 27127 1 98 . 1 1 19 19 PHE N N 15 115.3827 0.0000 . 1 . . 22121 . . 17 PHE N . 27127 1 99 . 1 1 20 20 LEU H H 1 9.6357 0.0000 . 1 . . 22153 . . 18 LEU H . 27127 1 100 . 1 1 20 20 LEU C C 13 173.9154 0.0000 . 1 . . . . . 18 LEU C . 27127 1 101 . 1 1 20 20 LEU CA C 13 55.8900 0.0000 . 1 . . 23257 . . 18 LEU CA . 27127 1 102 . 1 1 20 20 LEU CB C 13 43.1070 0.0000 . 1 . . 23258 . . 18 LEU CB . 27127 1 103 . 1 1 20 20 LEU CG C 13 25.8590 0.0000 . 1 . . . . . 18 LEU CG . 27127 1 104 . 1 1 20 20 LEU CD1 C 13 24.7340 0.0000 . 2 . . . . . 18 LEU CD1 . 27127 1 105 . 1 1 20 20 LEU CD2 C 13 22.2050 0.0000 . 2 . . . . . 18 LEU CD2 . 27127 1 106 . 1 1 20 20 LEU N N 15 119.7821 0.0000 . 1 . . 22154 . . 18 LEU N . 27127 1 107 . 1 1 21 21 ASN H H 1 10.1004 0.0000 . 1 . . 21544 . . 19 ASN H . 27127 1 108 . 1 1 21 21 ASN C C 13 178.9701 0.0000 . 1 . . . . . 19 ASN C . 27127 1 109 . 1 1 21 21 ASN CA C 13 50.4465 0.0000 . 1 . . 21549 . . 19 ASN CA . 27127 1 110 . 1 1 21 21 ASN CB C 13 39.6164 0.0000 . 1 . . 23294 . . 19 ASN CB . 27127 1 111 . 1 1 21 21 ASN N N 15 121.7338 0.0000 . 1 . . 21545 . . 19 ASN N . 27127 1 112 . 1 1 22 22 PRO CA C 13 62.9550 0.0000 . 1 . . 21384 . . 20 PRO CA . 27127 1 113 . 1 1 22 22 PRO CB C 13 32.6580 0.0000 . 1 . . 21390 . . 20 PRO CB . 27127 1 114 . 1 1 22 22 PRO CG C 13 26.8290 0.0000 . 1 . . . . . 20 PRO CG . 27127 1 115 . 1 1 22 22 PRO CD C 13 51.4640 0.0000 . 1 . . . . . 20 PRO CD . 27127 1 116 . 1 1 23 23 VAL H H 1 7.6920 0.0000 . 1 . . 22000 . . 21 VAL H . 27127 1 117 . 1 1 23 23 VAL C C 13 178.5733 0.0000 . 1 . . . . . 21 VAL C . 27127 1 118 . 1 1 23 23 VAL CA C 13 60.6530 0.0000 . 1 . . 21165 . . 21 VAL CA . 27127 1 119 . 1 1 23 23 VAL CB C 13 32.5440 0.0000 . 1 . . 22290 . . 21 VAL CB . 27127 1 120 . 1 1 23 23 VAL CG1 C 13 22.4060 0.0000 . 2 . . . . . 21 VAL CG1 . 27127 1 121 . 1 1 23 23 VAL CG2 C 13 20.6090 0.0000 . 2 . . . . . 21 VAL CG2 . 27127 1 122 . 1 1 23 23 VAL N N 15 115.3229 0.0000 . 1 . . 22001 . . 21 VAL N . 27127 1 123 . 1 1 24 24 SER H H 1 8.6279 0.0000 . 1 . . 22579 . . 22 SER H . 27127 1 124 . 1 1 24 24 SER C C 13 176.7661 0.0000 . 1 . . . . . 22 SER C . 27127 1 125 . 1 1 24 24 SER CA C 13 58.9270 0.0000 . 1 . . 21132 . . 22 SER CA . 27127 1 126 . 1 1 24 24 SER CB C 13 62.8730 0.0000 . 1 . . 22260 . . 22 SER CB . 27127 1 127 . 1 1 24 24 SER N N 15 118.5248 0.0000 . 1 . . 22580 . . 22 SER N . 27127 1 128 . 1 1 25 25 ASP H H 1 8.7409 0.0000 . 1 . . 21661 . . 23 ASP H . 27127 1 129 . 1 1 25 25 ASP C C 13 175.7043 0.0000 . 1 . . . . . 23 ASP C . 27127 1 130 . 1 1 25 25 ASP CA C 13 56.9400 0.0000 . 1 . . 21891 . . 23 ASP CA . 27127 1 131 . 1 1 25 25 ASP CB C 13 40.3040 0.0000 . 1 . . 22365 . . 23 ASP CB . 27127 1 132 . 1 1 25 25 ASP N N 15 122.6959 0.0000 . 1 . . 21662 . . 23 ASP N . 27127 1 133 . 1 1 26 26 ASP H H 1 8.0406 0.0000 . 1 . . 21895 . . 24 ASP H . 27127 1 134 . 1 1 26 26 ASP C C 13 175.6519 0.0000 . 1 . . . . . 24 ASP C . 27127 1 135 . 1 1 26 26 ASP CA C 13 52.7280 0.0000 . 1 . . 22383 . . 24 ASP CA . 27127 1 136 . 1 1 26 26 ASP CB C 13 39.7600 0.0000 . 1 . . 21552 . . 24 ASP CB . 27127 1 137 . 1 1 26 26 ASP N N 15 114.9278 0.0000 . 1 . . 21896 . . 24 ASP N . 27127 1 138 . 1 1 27 27 ASN H H 1 7.9205 0.0000 . 1 . . 21934 . . 25 ASN H . 27127 1 139 . 1 1 27 27 ASN C C 13 175.8864 0.0000 . 1 . . . . . 25 ASN C . 27127 1 140 . 1 1 27 27 ASN CA C 13 53.8190 0.0000 . 1 . . 21933 . . 25 ASN CA . 27127 1 141 . 1 1 27 27 ASN CB C 13 41.4231 0.0000 . 1 . . 21936 . . 25 ASN CB . 27127 1 142 . 1 1 27 27 ASN N N 15 122.4164 0.0000 . 1 . . 21935 . . 25 ASN N . 27127 1 143 . 1 1 28 28 PRO CA C 13 65.2370 0.0000 . 1 . . 21063 . . 26 PRO CA . 27127 1 144 . 1 1 28 28 PRO CB C 13 31.9660 0.0000 . 1 . . 21066 . . 26 PRO CB . 27127 1 145 . 1 1 28 28 PRO CG C 13 26.7870 0.0000 . 1 . . . . . 26 PRO CG . 27127 1 146 . 1 1 28 28 PRO CD C 13 51.1890 0.0000 . 1 . . . . . 26 PRO CD . 27127 1 147 . 1 1 29 29 ALA H H 1 9.1615 0.0000 . 1 . . 21589 . . 27 ALA H . 27127 1 148 . 1 1 29 29 ALA C C 13 177.5597 0.0000 . 1 . . . . . 27 ALA C . 27127 1 149 . 1 1 29 29 ALA CA C 13 54.3790 0.0000 . 1 . . 21309 . . 27 ALA CA . 27127 1 150 . 1 1 29 29 ALA CB C 13 19.2290 0.0000 . 1 . . 21306 . . 27 ALA CB . 27127 1 151 . 1 1 29 29 ALA N N 15 118.5007 0.0000 . 1 . . 21590 . . 27 ALA N . 27127 1 152 . 1 1 30 30 TYR H H 1 8.0365 0.0000 . 1 . . 21901 . . 28 TYR H . 27127 1 153 . 1 1 30 30 TYR C C 13 180.3551 0.0000 . 1 . . . . . 28 TYR C . 27127 1 154 . 1 1 30 30 TYR CA C 13 63.1063 0.0000 . 1 . . 22359 . . 28 TYR CA . 27127 1 155 . 1 1 30 30 TYR CB C 13 36.6270 0.0000 . 1 . . 22362 . . 28 TYR CB . 27127 1 156 . 1 1 30 30 TYR N N 15 115.5773 0.0000 . 1 . . 21902 . . 28 TYR N . 27127 1 157 . 1 1 31 31 GLU H H 1 8.0643 0.0000 . 1 . . 22360 . . 29 GLU H . 27127 1 158 . 1 1 31 31 GLU C C 13 179.3869 0.0000 . 1 . . . . . 29 GLU C . 27127 1 159 . 1 1 31 31 GLU CA C 13 59.1550 0.0000 . 1 . . 21468 . . 29 GLU CA . 27127 1 160 . 1 1 31 31 GLU CB C 13 29.8470 0.0000 . 1 . . 22452 . . 29 GLU CB . 27127 1 161 . 1 1 31 31 GLU CG C 13 36.6570 0.0000 . 1 . . . . . 29 GLU CG . 27127 1 162 . 1 1 31 31 GLU N N 15 121.8854 0.0000 . 1 . . 22361 . . 29 GLU N . 27127 1 163 . 1 1 32 32 VAL H H 1 7.2675 0.0000 . 1 . . 22450 . . 30 VAL H . 27127 1 164 . 1 1 32 32 VAL C C 13 180.2476 0.0000 . 1 . . . . . 30 VAL C . 27127 1 165 . 1 1 32 32 VAL CA C 13 67.1720 0.0000 . 1 . . 22419 . . 30 VAL CA . 27127 1 166 . 1 1 32 32 VAL CB C 13 31.2680 0.0000 . 1 . . 21405 . . 30 VAL CB . 27127 1 167 . 1 1 32 32 VAL CG1 C 13 22.6770 0.0000 . 2 . . . . . 30 VAL CG1 . 27127 1 168 . 1 1 32 32 VAL CG2 C 13 21.1500 0.0000 . 2 . . . . . 30 VAL CG2 . 27127 1 169 . 1 1 32 32 VAL N N 15 120.4764 0.0000 . 1 . . 22451 . . 30 VAL N . 27127 1 170 . 1 1 33 33 LEU H H 1 7.5484 0.0000 . 1 . . 22417 . . 31 LEU H . 27127 1 171 . 1 1 33 33 LEU C C 13 178.8944 0.0000 . 1 . . . . . 31 LEU C . 27127 1 172 . 1 1 33 33 LEU CA C 13 56.5600 0.0000 . 1 . . 22446 . . 31 LEU CA . 27127 1 173 . 1 1 33 33 LEU CB C 13 40.9510 0.0000 . 1 . . 22449 . . 31 LEU CB . 27127 1 174 . 1 1 33 33 LEU CG C 13 27.8160 0.0000 . 1 . . . . . 31 LEU CG . 27127 1 175 . 1 1 33 33 LEU CD1 C 13 25.4970 0.0000 . 2 . . . . . 31 LEU CD1 . 27127 1 176 . 1 1 33 33 LEU CD2 C 13 21.8860 0.0000 . 2 . . . . . 31 LEU CD2 . 27127 1 177 . 1 1 33 33 LEU N N 15 116.1706 0.0000 . 1 . . 22418 . . 31 LEU N . 27127 1 178 . 1 1 34 34 GLN H H 1 7.2845 0.0000 . 1 . . 22744 . . 32 GLN H . 27127 1 179 . 1 1 34 34 GLN C C 13 177.5661 0.0000 . 1 . . . . . 32 GLN C . 27127 1 180 . 1 1 34 34 GLN CA C 13 57.1170 0.0000 . 1 . . 21396 . . 32 GLN CA . 27127 1 181 . 1 1 34 34 GLN CB C 13 28.2930 0.0000 . 1 . . 21399 . . 32 GLN CB . 27127 1 182 . 1 1 34 34 GLN CG C 13 33.6680 0.0000 . 1 . . . . . 32 GLN CG . 27127 1 183 . 1 1 34 34 GLN N N 15 115.4477 0.0000 . 1 . . 22745 . . 32 GLN N . 27127 1 184 . 1 1 35 35 HIS H H 1 7.6306 0.0000 . 1 . . 22414 . . 33 HIS H . 27127 1 185 . 1 1 35 35 HIS C C 13 176.9521 0.0000 . 1 . . . . . 33 HIS C . 27127 1 186 . 1 1 35 35 HIS CA C 13 56.1950 0.0000 . 1 . . 22056 . . 33 HIS CA . 27127 1 187 . 1 1 35 35 HIS CB C 13 29.0930 0.0000 . 1 . . 22434 . . 33 HIS CB . 27127 1 188 . 1 1 35 35 HIS N N 15 114.7024 0.0000 . 1 . . 22415 . . 33 HIS N . 27127 1 189 . 1 1 36 36 VAL H H 1 7.4441 0.0000 . 1 . . 22066 . . 34 VAL H . 27127 1 190 . 1 1 36 36 VAL C C 13 174.0632 0.0000 . 1 . . . . . 34 VAL C . 27127 1 191 . 1 1 36 36 VAL CA C 13 60.0680 0.0000 . 1 . . 21312 . . 34 VAL CA . 27127 1 192 . 1 1 36 36 VAL CB C 13 34.8870 0.0000 . 1 . . 21315 . . 34 VAL CB . 27127 1 193 . 1 1 36 36 VAL CG1 C 13 21.4340 0.0000 . 2 . . . . . 34 VAL CG1 . 27127 1 194 . 1 1 36 36 VAL CG2 C 13 20.1410 0.0000 . 2 . . . . . 34 VAL CG2 . 27127 1 195 . 1 1 36 36 VAL N N 15 116.6831 0.0000 . 1 . . 22067 . . 34 VAL N . 27127 1 196 . 1 1 37 37 LYS H H 1 7.9976 0.0000 . 1 . . 21910 . . 35 LYS H . 27127 1 197 . 1 1 37 37 LYS C C 13 172.8572 0.0000 . 1 . . . . . 35 LYS C . 27127 1 198 . 1 1 37 37 LYS CA C 13 53.8630 0.0000 . 1 . . 21237 . . 35 LYS CA . 27127 1 199 . 1 1 37 37 LYS CB C 13 32.9450 0.0000 . 1 . . 21822 . . 35 LYS CB . 27127 1 200 . 1 1 37 37 LYS CG C 13 24.3000 0.0000 . 1 . . . . . 35 LYS CG . 27127 1 201 . 1 1 37 37 LYS CD C 13 28.5380 0.0000 . 1 . . . . . 35 LYS CD . 27127 1 202 . 1 1 37 37 LYS CE C 13 42.1950 0.0000 . 1 . . . . . 35 LYS CE . 27127 1 203 . 1 1 37 37 LYS N N 15 122.3144 0.0000 . 1 . . 21911 . . 35 LYS N . 27127 1 204 . 1 1 38 38 ILE H H 1 8.3349 0.0000 . 1 . . 22618 . . 36 ILE H . 27127 1 205 . 1 1 38 38 ILE C C 13 175.6827 0.0000 . 1 . . . . . 36 ILE C . 27127 1 206 . 1 1 38 38 ILE CA C 13 56.9532 0.0000 . 1 . . 23908 . . 36 ILE CA . 27127 1 207 . 1 1 38 38 ILE CB C 13 36.2164 0.0000 . 1 . . 21819 . . 36 ILE CB . 27127 1 208 . 1 1 38 38 ILE N N 15 126.7442 0.0000 . 1 . . 22619 . . 36 ILE N . 27127 1 209 . 1 1 39 39 PRO CA C 13 63.2400 0.0000 . 1 . . 21186 . . 37 PRO CA . 27127 1 210 . 1 1 39 39 PRO CB C 13 32.7590 0.0000 . 1 . . 21189 . . 37 PRO CB . 27127 1 211 . 1 1 39 39 PRO CG C 13 27.1040 0.0000 . 1 . . . . . 37 PRO CG . 27127 1 212 . 1 1 39 39 PRO CD C 13 51.1620 0.0000 . 1 . . . . . 37 PRO CD . 27127 1 213 . 1 1 40 40 THR H H 1 8.5086 0.0000 . 1 . . 22591 . . 38 THR H . 27127 1 214 . 1 1 40 40 THR C C 13 178.3108 0.0000 . 1 . . . . . 38 THR C . 27127 1 215 . 1 1 40 40 THR CA C 13 63.9266 0.0000 . 1 . . 22395 . . 38 THR CA . 27127 1 216 . 1 1 40 40 THR CB C 13 68.7709 0.0000 . 1 . . 23010 . . 38 THR CB . 27127 1 217 . 1 1 40 40 THR CG2 C 13 21.8870 0.0000 . 1 . . . . . 38 THR CG2 . 27127 1 218 . 1 1 40 40 THR N N 15 114.0549 0.0000 . 1 . . 22592 . . 38 THR N . 27127 1 219 . 1 1 41 41 HIS H H 1 7.7607 0.0000 . 1 . . 22393 . . 39 HIS H . 27127 1 220 . 1 1 41 41 HIS C C 13 175.0218 0.0000 . 1 . . . . . 39 HIS C . 27127 1 221 . 1 1 41 41 HIS CA C 13 56.4770 0.0000 . 1 . . 21531 . . 39 HIS CA . 27127 1 222 . 1 1 41 41 HIS CB C 13 29.9440 0.0000 . 1 . . 21534 . . 39 HIS CB . 27127 1 223 . 1 1 41 41 HIS N N 15 115.6938 0.0000 . 1 . . 22394 . . 39 HIS N . 27127 1 224 . 1 1 42 42 LEU H H 1 6.5666 0.0000 . 1 . . 22477 . . 40 LEU H . 27127 1 225 . 1 1 42 42 LEU C C 13 175.0284 0.0000 . 1 . . . . . 40 LEU C . 27127 1 226 . 1 1 42 42 LEU CA C 13 53.5750 0.0000 . 1 . . 22140 . . 40 LEU CA . 27127 1 227 . 1 1 42 42 LEU CB C 13 43.8800 0.0000 . 1 . . 22143 . . 40 LEU CB . 27127 1 228 . 1 1 42 42 LEU CG C 13 27.6750 0.0000 . 1 . . . . . 40 LEU CG . 27127 1 229 . 1 1 42 42 LEU CD1 C 13 26.3860 0.0000 . 2 . . . . . 40 LEU CD1 . 27127 1 230 . 1 1 42 42 LEU CD2 C 13 21.9200 0.0000 . 2 . . . . . 40 LEU CD2 . 27127 1 231 . 1 1 42 42 LEU N N 15 119.3473 0.0000 . 1 . . 22478 . . 40 LEU N . 27127 1 232 . 1 1 43 43 THR H H 1 9.0916 0.0000 . 1 . . 22210 . . 41 THR H . 27127 1 233 . 1 1 43 43 THR C C 13 176.8310 0.0000 . 1 . . . . . 41 THR C . 27127 1 234 . 1 1 43 43 THR CA C 13 59.7060 0.0000 . 1 . . 21609 . . 41 THR CA . 27127 1 235 . 1 1 43 43 THR CB C 13 71.3091 0.0000 . 1 . . 22215 . . 41 THR CB . 27127 1 236 . 1 1 43 43 THR CG2 C 13 20.7610 0.0000 . 1 . . . . . 41 THR CG2 . 27127 1 237 . 1 1 43 43 THR N N 15 112.8319 0.0000 . 1 . . 22211 . . 41 THR N . 27127 1 238 . 1 1 44 44 ASP H H 1 9.0465 0.0000 . 1 . . 22213 . . 42 ASP H . 27127 1 239 . 1 1 44 44 ASP C C 13 173.6216 0.0000 . 1 . . . . . 42 ASP C . 27127 1 240 . 1 1 44 44 ASP CA C 13 55.4920 0.0000 . 1 . . 21612 . . 42 ASP CA . 27127 1 241 . 1 1 44 44 ASP CB C 13 39.5500 0.0000 . 1 . . 21183 . . 42 ASP CB . 27127 1 242 . 1 1 44 44 ASP N N 15 120.3481 0.0000 . 1 . . 22214 . . 42 ASP N . 27127 1 243 . 1 1 45 45 VAL H H 1 8.5433 0.0000 . 1 . . 22297 . . 43 VAL H . 27127 1 244 . 1 1 45 45 VAL C C 13 175.7668 0.0000 . 1 . . . . . 43 VAL C . 27127 1 245 . 1 1 45 45 VAL CA C 13 63.1450 0.0000 . 1 . . 21726 . . 43 VAL CA . 27127 1 246 . 1 1 45 45 VAL CB C 13 32.1210 0.0000 . 1 . . 21096 . . 43 VAL CB . 27127 1 247 . 1 1 45 45 VAL CG1 C 13 22.5600 0.0000 . 2 . . . . . 43 VAL CG1 . 27127 1 248 . 1 1 45 45 VAL CG2 C 13 20.8370 0.0000 . 2 . . . . . 43 VAL CG2 . 27127 1 249 . 1 1 45 45 VAL N N 15 119.2125 0.0000 . 1 . . 22298 . . 43 VAL N . 27127 1 250 . 1 1 46 46 VAL H H 1 8.9769 0.0000 . 1 . . 22222 . . 44 VAL H . 27127 1 251 . 1 1 46 46 VAL C C 13 176.8709 0.0000 . 1 . . . . . 44 VAL C . 27127 1 252 . 1 1 46 46 VAL CA C 13 59.7080 0.0000 . 1 . . 21621 . . 44 VAL CA . 27127 1 253 . 1 1 46 46 VAL CB C 13 34.7110 0.0000 . 1 . . 22230 . . 44 VAL CB . 27127 1 254 . 1 1 46 46 VAL CG1 C 13 20.5030 0.0000 . 2 . . . . . 44 VAL CG1 . 27127 1 255 . 1 1 46 46 VAL CG2 C 13 20.5030 0.0000 . 2 . . . . . 44 VAL CG2 . 27127 1 256 . 1 1 46 46 VAL N N 15 128.3394 0.0000 . 1 . . 22223 . . 44 VAL N . 27127 1 257 . 1 1 47 47 VAL H H 1 8.6450 0.0000 . 1 . . 22279 . . 45 VAL H . 27127 1 258 . 1 1 47 47 VAL C C 13 174.5002 0.0000 . 1 . . . . . 45 VAL C . 27127 1 259 . 1 1 47 47 VAL CA C 13 60.0060 0.0000 . 1 . . 21693 . . 45 VAL CA . 27127 1 260 . 1 1 47 47 VAL CB C 13 34.9170 0.0000 . 1 . . 21477 . . 45 VAL CB . 27127 1 261 . 1 1 47 47 VAL CG1 C 13 20.8430 0.0000 . 2 . . . . . 45 VAL CG1 . 27127 1 262 . 1 1 47 47 VAL CG2 C 13 20.8430 0.0000 . 2 . . . . . 45 VAL CG2 . 27127 1 263 . 1 1 47 47 VAL N N 15 124.6342 0.0000 . 1 . . 22280 . . 45 VAL N . 27127 1 264 . 1 1 48 48 TYR H H 1 7.1335 0.0000 . 1 . . 22453 . . 46 TYR H . 27127 1 265 . 1 1 48 48 TYR C C 13 175.0938 0.0000 . 1 . . . . . 46 TYR C . 27127 1 266 . 1 1 48 48 TYR CA C 13 60.2920 0.0000 . 1 . . 22233 . . 46 TYR CA . 27127 1 267 . 1 1 48 48 TYR CB C 13 39.0190 0.0000 . 1 . . 22098 . . 46 TYR CB . 27127 1 268 . 1 1 48 48 TYR N N 15 123.6497 0.0000 . 1 . . 22454 . . 46 TYR N . 27127 1 269 . 1 1 49 49 GLU H H 1 8.9480 0.0000 . 1 . . 22234 . . 47 GLU H . 27127 1 270 . 1 1 49 49 GLU C C 13 176.1774 0.0000 . 1 . . . . . 47 GLU C . 27127 1 271 . 1 1 49 49 GLU CA C 13 57.7760 0.0000 . 1 . . 21627 . . 47 GLU CA . 27127 1 272 . 1 1 49 49 GLU CB C 13 30.7480 0.0000 . 1 . . 21435 . . 47 GLU CB . 27127 1 273 . 1 1 49 49 GLU CG C 13 36.7910 0.0000 . 1 . . . . . 47 GLU CG . 27127 1 274 . 1 1 49 49 GLU N N 15 122.4214 0.0000 . 1 . . 22235 . . 47 GLU N . 27127 1 275 . 1 1 50 50 GLN H H 1 7.4579 0.0000 . 1 . . 22423 . . 48 GLN H . 27127 1 276 . 1 1 50 50 GLN C C 13 172.5071 0.0000 . 1 . . . . . 48 GLN C . 27127 1 277 . 1 1 50 50 GLN CA C 13 53.7900 0.0000 . 1 . . 22041 . . 48 GLN CA . 27127 1 278 . 1 1 50 50 GLN CB C 13 28.2530 0.0000 . 1 . . 22050 . . 48 GLN CB . 27127 1 279 . 1 1 50 50 GLN CG C 13 30.2200 0.0000 . 1 . . . . . 48 GLN CG . 27127 1 280 . 1 1 50 50 GLN N N 15 125.1191 0.0000 . 1 . . 22424 . . 48 GLN N . 27127 1 281 . 1 1 51 51 THR H H 1 8.2976 0.0000 . 1 . . 21844 . . 49 THR H . 27127 1 282 . 1 1 51 51 THR C C 13 172.0153 0.0000 . 1 . . . . . 49 THR C . 27127 1 283 . 1 1 51 51 THR CA C 13 60.4070 0.0000 . 1 . . 22242 . . 49 THR CA . 27127 1 284 . 1 1 51 51 THR CB C 13 70.8880 0.0000 . 1 . . 22245 . . 49 THR CB . 27127 1 285 . 1 1 51 51 THR CG2 C 13 21.8140 0.0000 . 1 . . . . . 49 THR CG2 . 27127 1 286 . 1 1 51 51 THR N N 15 105.8678 0.0000 . 1 . . 21845 . . 49 THR N . 27127 1 287 . 1 1 52 52 TRP H H 1 8.9035 0.0000 . 1 . . 22246 . . 50 TRP H . 27127 1 288 . 1 1 52 52 TRP C C 13 176.0406 0.0000 . 1 . . . . . 50 TRP C . 27127 1 289 . 1 1 52 52 TRP CA C 13 59.0100 0.0000 . 1 . . 21876 . . 50 TRP CA . 27127 1 290 . 1 1 52 52 TRP CB C 13 29.6400 0.0000 . 1 . . 21222 . . 50 TRP CB . 27127 1 291 . 1 1 52 52 TRP N N 15 121.0200 0.0000 . 1 . . 22247 . . 50 TRP N . 27127 1 292 . 1 1 53 53 GLU H H 1 8.4146 0.0000 . 1 . . 22312 . . 51 GLU H . 27127 1 293 . 1 1 53 53 GLU C C 13 175.7494 0.0000 . 1 . . . . . 51 GLU C . 27127 1 294 . 1 1 53 53 GLU CA C 13 59.5820 0.0000 . 1 . . 22443 . . 51 GLU CA . 27127 1 295 . 1 1 53 53 GLU CB C 13 29.1330 0.0000 . 1 . . 21792 . . 51 GLU CB . 27127 1 296 . 1 1 53 53 GLU CG C 13 36.4370 0.0000 . 1 . . . . . 51 GLU CG . 27127 1 297 . 1 1 53 53 GLU N N 15 115.4455 0.0000 . 1 . . 22313 . . 51 GLU N . 27127 1 298 . 1 1 54 54 GLU H H 1 7.3250 0.0000 . 1 . . 22738 . . 52 GLU H . 27127 1 299 . 1 1 54 54 GLU C C 13 179.6831 0.0000 . 1 . . . . . 52 GLU C . 27127 1 300 . 1 1 54 54 GLU CA C 13 58.5350 0.0000 . 1 . . 21267 . . 52 GLU CA . 27127 1 301 . 1 1 54 54 GLU CB C 13 30.3840 0.0000 . 1 . . 21270 . . 52 GLU CB . 27127 1 302 . 1 1 54 54 GLU CG C 13 37.4950 0.0000 . 1 . . . . . 52 GLU CG . 27127 1 303 . 1 1 54 54 GLU N N 15 117.2460 0.0000 . 1 . . 22739 . . 52 GLU N . 27127 1 304 . 1 1 55 55 ALA H H 1 8.2423 0.0000 . 1 . . 22336 . . 53 ALA H . 27127 1 305 . 1 1 55 55 ALA C C 13 177.8472 0.0000 . 1 . . . . . 53 ALA C . 27127 1 306 . 1 1 55 55 ALA CA C 13 54.3890 0.0000 . 1 . . 22107 . . 53 ALA CA . 27127 1 307 . 1 1 55 55 ALA CB C 13 18.9220 0.0000 . 1 . . 22113 . . 53 ALA CB . 27127 1 308 . 1 1 55 55 ALA N N 15 122.9360 0.0000 . 1 . . 22337 . . 53 ALA N . 27127 1 309 . 1 1 56 56 LEU H H 1 7.0186 0.0000 . 1 . . 22105 . . 54 LEU H . 27127 1 310 . 1 1 56 56 LEU C C 13 178.0000 0.0000 . 1 . . . . . 54 LEU C . 27127 1 311 . 1 1 56 56 LEU CA C 13 57.8608 0.0000 . 1 . . 22104 . . 54 LEU CA . 27127 1 312 . 1 1 56 56 LEU CB C 13 43.1460 0.0000 . 1 . . 22464 . . 54 LEU CB . 27127 1 313 . 1 1 56 56 LEU CG C 13 26.2130 0.0000 . 1 . . . . . 54 LEU CG . 27127 1 314 . 1 1 56 56 LEU CD1 C 13 24.6550 0.0000 . 2 . . . . . 54 LEU CD1 . 27127 1 315 . 1 1 56 56 LEU CD2 C 13 23.5290 0.0000 . 2 . . . . . 54 LEU CD2 . 27127 1 316 . 1 1 56 56 LEU N N 15 112.9398 0.0000 . 1 . . 22106 . . 54 LEU N . 27127 1 317 . 1 1 57 57 THR H H 1 7.0395 0.0000 . 1 . . 22099 . . 55 THR H . 27127 1 318 . 1 1 57 57 THR C C 13 177.2825 0.0000 . 1 . . . . . 55 THR C . 27127 1 319 . 1 1 57 57 THR CA C 13 60.0986 0.0000 . 1 . . 22398 . . 55 THR CA . 27127 1 320 . 1 1 57 57 THR CB C 13 69.5281 0.0000 . 1 . . 22467 . . 55 THR CB . 27127 1 321 . 1 1 57 57 THR CG2 C 13 21.7030 0.0000 . 1 . . . . . 55 THR CG2 . 27127 1 322 . 1 1 57 57 THR N N 15 102.0123 0.0000 . 1 . . 22100 . . 55 THR N . 27127 1 323 . 1 1 58 58 ARG H H 1 7.7072 0.0000 . 1 . . 22396 . . 56 ARG H . 27127 1 324 . 1 1 58 58 ARG C C 13 175.0181 0.0000 . 1 . . . . . 56 ARG C . 27127 1 325 . 1 1 58 58 ARG CA C 13 56.0839 0.0000 . 1 . . 21990 . . 56 ARG CA . 27127 1 326 . 1 1 58 58 ARG CB C 13 35.3955 0.0000 . 1 . . 21339 . . 56 ARG CB . 27127 1 327 . 1 1 58 58 ARG CG C 13 27.1810 0.0000 . 1 . . . . . 56 ARG CG . 27127 1 328 . 1 1 58 58 ARG CD C 13 44.0060 0.0000 . 1 . . . . . 56 ARG CD . 27127 1 329 . 1 1 58 58 ARG N N 15 121.8202 0.0000 . 1 . . 22397 . . 56 ARG N . 27127 1 330 . 1 1 59 59 LEU H H 1 7.8855 0.0000 . 1 . . 22672 . . 57 LEU H . 27127 1 331 . 1 1 59 59 LEU C C 13 173.8958 0.0000 . 1 . . . . . 57 LEU C . 27127 1 332 . 1 1 59 59 LEU CA C 13 55.9971 0.0000 . 1 . . 22191 . . 57 LEU CA . 27127 1 333 . 1 1 59 59 LEU CB C 13 42.0501 0.0000 . 1 . . 21057 . . 57 LEU CB . 27127 1 334 . 1 1 59 59 LEU CG C 13 26.5200 0.0000 . 1 . . . . . 57 LEU CG . 27127 1 335 . 1 1 59 59 LEU CD1 C 13 26.5200 0.0000 . 2 . . . . . 57 LEU CD1 . 27127 1 336 . 1 1 59 59 LEU CD2 C 13 22.1430 0.0000 . 2 . . . . . 57 LEU CD2 . 27127 1 337 . 1 1 59 59 LEU N N 15 121.0546 0.0000 . 1 . . 22673 . . 57 LEU N . 27127 1 338 . 1 1 60 60 ILE H H 1 9.2420 0.0000 . 1 . . 22186 . . 58 ILE H . 27127 1 339 . 1 1 60 60 ILE C C 13 175.4378 0.0000 . 1 . . . . . 58 ILE C . 27127 1 340 . 1 1 60 60 ILE CA C 13 63.9266 0.0000 . 1 . . 23038 . . 58 ILE CA . 27127 1 341 . 1 1 60 60 ILE CB C 13 39.2791 0.0000 . 1 . . 21381 . . 58 ILE CB . 27127 1 342 . 1 1 60 60 ILE CG1 C 13 28.4610 0.0000 . 1 . . . . . 58 ILE CG1 . 27127 1 343 . 1 1 60 60 ILE CG2 C 13 19.6070 0.0000 . 1 . . . . . 58 ILE CG2 . 27127 1 344 . 1 1 60 60 ILE CD1 C 13 13.5790 0.0000 . 1 . . . . . 58 ILE CD1 . 27127 1 345 . 1 1 60 60 ILE N N 15 125.1526 0.0000 . 1 . . 22187 . . 58 ILE N . 27127 1 346 . 1 1 61 61 PHE H H 1 7.7026 0.0000 . 1 . . 21991 . . 59 PHE H . 27127 1 347 . 1 1 61 61 PHE C C 13 177.0934 0.0000 . 1 . . . . . 59 PHE C . 27127 1 348 . 1 1 61 61 PHE CA C 13 55.7285 0.0000 . 1 . . 21993 . . 59 PHE CA . 27127 1 349 . 1 1 61 61 PHE CB C 13 41.2685 0.0000 . 1 . . 21120 . . 59 PHE CB . 27127 1 350 . 1 1 61 61 PHE N N 15 113.8871 0.0000 . 1 . . 21992 . . 59 PHE N . 27127 1 351 . 1 1 62 62 VAL H H 1 8.8918 0.0000 . 1 . . 22249 . . 60 VAL H . 27127 1 352 . 1 1 62 62 VAL C C 13 171.1791 0.0000 . 1 . . . . . 60 VAL C . 27127 1 353 . 1 1 62 62 VAL CA C 13 59.0049 0.0000 . 1 . . 21642 . . 60 VAL CA . 27127 1 354 . 1 1 62 62 VAL CB C 13 36.3103 0.0000 . 1 . . 21648 . . 60 VAL CB . 27127 1 355 . 1 1 62 62 VAL CG1 C 13 21.6360 0.0000 . 2 . . . . . 60 VAL CG1 . 27127 1 356 . 1 1 62 62 VAL CG2 C 13 21.6360 0.0000 . 2 . . . . . 60 VAL CG2 . 27127 1 357 . 1 1 62 62 VAL N N 15 118.0695 0.0000 . 1 . . 22250 . . 60 VAL N . 27127 1 358 . 1 1 63 63 GLY H H 1 8.3348 0.0000 . 1 . . 22321 . . 61 GLY H . 27127 1 359 . 1 1 63 63 GLY C C 13 174.7377 0.0000 . 1 . . . . . 61 GLY C . 27127 1 360 . 1 1 63 63 GLY CA C 13 45.9344 0.0000 . 1 . . 21816 . . 61 GLY CA . 27127 1 361 . 1 1 63 63 GLY N N 15 107.6891 0.0000 . 1 . . 22322 . . 61 GLY N . 27127 1 362 . 1 1 64 64 SER H H 1 9.5134 0.0000 . 1 . . 22510 . . 62 SER H . 27127 1 363 . 1 1 64 64 SER C C 13 171.1258 0.0000 . 1 . . . . . 62 SER C . 27127 1 364 . 1 1 64 64 SER CA C 13 57.3643 0.0000 . 1 . . 21561 . . 62 SER CA . 27127 1 365 . 1 1 64 64 SER CB C 13 64.4734 0.0000 . 1 . . 22161 . . 62 SER CB . 27127 1 366 . 1 1 64 64 SER N N 15 117.1333 0.0000 . 1 . . 22511 . . 62 SER N . 27127 1 367 . 1 1 65 65 ASP H H 1 8.6678 0.0000 . 1 . . 21685 . . 63 ASP H . 27127 1 368 . 1 1 65 65 ASP C C 13 173.9922 0.0000 . 1 . . . . . 63 ASP C . 27127 1 369 . 1 1 65 65 ASP CA C 13 52.5160 0.0000 . 1 . . 21654 . . 63 ASP CA . 27127 1 370 . 1 1 65 65 ASP CB C 13 42.4470 0.0000 . 1 . . 21126 . . 63 ASP CB . 27127 1 371 . 1 1 65 65 ASP N N 15 123.3594 0.0000 . 1 . . 21686 . . 63 ASP N . 27127 1 372 . 1 1 66 66 SER H H 1 8.7859 0.0000 . 1 . . 22252 . . 64 SER H . 27127 1 373 . 1 1 66 66 SER C C 13 178.8421 0.0000 . 1 . . . . . 64 SER C . 27127 1 374 . 1 1 66 66 SER CA C 13 60.9189 0.0000 . 1 . . 22344 . . 64 SER CA . 27127 1 375 . 1 1 66 66 SER CB C 13 62.7930 0.0000 . 1 . . 21273 . . 64 SER CB . 27127 1 376 . 1 1 66 66 SER N N 15 113.8690 0.0000 . 1 . . 22253 . . 64 SER N . 27127 1 377 . 1 1 67 67 LYS H H 1 8.1866 0.0000 . 1 . . 21856 . . 65 LYS H . 27127 1 378 . 1 1 67 67 LYS C C 13 175.6590 0.0000 . 1 . . . . . 65 LYS C . 27127 1 379 . 1 1 67 67 LYS CA C 13 55.3123 0.0000 . 1 . . 21246 . . 65 LYS CA . 27127 1 380 . 1 1 67 67 LYS CB C 13 32.2089 0.0000 . 1 . . 21858 . . 65 LYS CB . 27127 1 381 . 1 1 67 67 LYS CG C 13 25.0550 0.0000 . 1 . . . . . 65 LYS CG . 27127 1 382 . 1 1 67 67 LYS CD C 13 28.4330 0.0000 . 1 . . . . . 65 LYS CD . 27127 1 383 . 1 1 67 67 LYS CE C 13 42.2130 0.0000 . 1 . . . . . 65 LYS CE . 27127 1 384 . 1 1 67 67 LYS N N 15 121.4007 0.0000 . 1 . . 21857 . . 65 LYS N . 27127 1 385 . 1 1 68 68 GLY H H 1 8.3141 0.0000 . 1 . . 22627 . . 66 GLY H . 27127 1 386 . 1 1 68 68 GLY C C 13 176.9328 0.0000 . 1 . . . . . 66 GLY C . 27127 1 387 . 1 1 68 68 GLY CA C 13 45.5041 0.0000 . 1 . . 21828 . . 66 GLY CA . 27127 1 388 . 1 1 68 68 GLY N N 15 108.9734 0.0000 . 1 . . 22628 . . 66 GLY N . 27127 1 389 . 1 1 69 69 ARG H H 1 8.4619 0.0000 . 1 . . 22597 . . 67 ARG H . 27127 1 390 . 1 1 69 69 ARG C C 13 174.4066 0.0000 . 1 . . . . . 67 ARG C . 27127 1 391 . 1 1 69 69 ARG CA C 13 55.6400 0.0000 . 1 . . 21135 . . 67 ARG CA . 27127 1 392 . 1 1 69 69 ARG CB C 13 29.9680 0.0000 . 1 . . 21138 . . 67 ARG CB . 27127 1 393 . 1 1 69 69 ARG CG C 13 26.9160 0.0000 . 1 . . . . . 67 ARG CG . 27127 1 394 . 1 1 69 69 ARG CD C 13 43.2280 0.0000 . 1 . . . . . 67 ARG CD . 27127 1 395 . 1 1 69 69 ARG N N 15 122.4215 0.0000 . 1 . . 22598 . . 67 ARG N . 27127 1 396 . 1 1 70 70 ARG H H 1 8.7080 0.0000 . 1 . . 22264 . . 68 ARG H . 27127 1 397 . 1 1 70 70 ARG C C 13 176.5229 0.0000 . 1 . . . . . 68 ARG C . 27127 1 398 . 1 1 70 70 ARG CA C 13 55.2840 0.0000 . 1 . . 21666 . . 68 ARG CA . 27127 1 399 . 1 1 70 70 ARG CB C 13 29.9980 0.0000 . 1 . . 21669 . . 68 ARG CB . 27127 1 400 . 1 1 70 70 ARG CG C 13 25.8630 0.0000 . 1 . . . . . 68 ARG CG . 27127 1 401 . 1 1 70 70 ARG CD C 13 42.8680 0.0000 . 1 . . . . . 68 ARG CD . 27127 1 402 . 1 1 70 70 ARG N N 15 124.9588 0.0000 . 1 . . 22265 . . 68 ARG N . 27127 1 403 . 1 1 71 71 GLN H H 1 9.2929 0.0000 . 1 . . 21574 . . 69 GLN H . 27127 1 404 . 1 1 71 71 GLN C C 13 175.4809 0.0000 . 1 . . . . . 69 GLN C . 27127 1 405 . 1 1 71 71 GLN CA C 13 54.1709 0.0000 . 1 . . 21741 . . 69 GLN CA . 27127 1 406 . 1 1 71 71 GLN CB C 13 30.5770 0.0000 . 1 . . 21579 . . 69 GLN CB . 27127 1 407 . 1 1 71 71 GLN CG C 13 32.5740 0.0000 . 1 . . . . . 69 GLN CG . 27127 1 408 . 1 1 71 71 GLN N N 15 124.4369 0.0000 . 1 . . 21575 . . 69 GLN N . 27127 1 409 . 1 1 72 72 TYR H H 1 8.4700 0.0000 . 1 . . 22594 . . 70 TYR H . 27127 1 410 . 1 1 72 72 TYR C C 13 173.2945 0.0000 . 1 . . . . . 70 TYR C . 27127 1 411 . 1 1 72 72 TYR CA C 13 57.6377 0.0000 . 1 . . 22374 . . 70 TYR CA . 27127 1 412 . 1 1 72 72 TYR CB C 13 40.2796 0.0000 . 1 . . 21744 . . 70 TYR CB . 27127 1 413 . 1 1 72 72 TYR N N 15 121.9377 0.0000 . 1 . . 22595 . . 70 TYR N . 27127 1 414 . 1 1 73 73 PHE H H 1 7.9747 0.0000 . 1 . . 21919 . . 71 PHE H . 27127 1 415 . 1 1 73 73 PHE C C 13 174.8023 0.0000 . 1 . . . . . 71 PHE C . 27127 1 416 . 1 1 73 73 PHE CA C 13 57.5070 0.0000 . 1 . . 21918 . . 71 PHE CA . 27127 1 417 . 1 1 73 73 PHE CB C 13 39.2220 0.0000 . 1 . . 22275 . . 71 PHE CB . 27127 1 418 . 1 1 73 73 PHE N N 15 122.6444 0.0000 . 1 . . 21920 . . 71 PHE N . 27127 1 419 . 1 1 74 74 TYR H H 1 8.6807 0.0000 . 1 . . 21682 . . 72 TYR H . 27127 1 420 . 1 1 74 74 TYR C C 13 173.6808 0.0000 . 1 . . . . . 72 TYR C . 27127 1 421 . 1 1 74 74 TYR CA C 13 56.7900 0.0000 . 1 . . 21684 . . 72 TYR CA . 27127 1 422 . 1 1 74 74 TYR CB C 13 41.8320 0.0000 . 1 . . 22272 . . 72 TYR CB . 27127 1 423 . 1 1 74 74 TYR N N 15 123.9485 0.0000 . 1 . . 21683 . . 72 TYR N . 27127 1 424 . 1 1 75 75 GLY H H 1 9.0216 0.0000 . 1 . . 22219 . . 73 GLY H . 27127 1 425 . 1 1 75 75 GLY C C 13 176.5770 0.0000 . 1 . . . . . 73 GLY C . 27127 1 426 . 1 1 75 75 GLY CA C 13 45.9805 0.0000 . 1 . . 21618 . . 73 GLY CA . 27127 1 427 . 1 1 75 75 GLY N N 15 107.4368 0.0000 . 1 . . 22220 . . 73 GLY N . 27127 1 428 . 1 1 76 76 LYS H H 1 8.5629 0.0000 . 1 . . 22585 . . 74 LYS H . 27127 1 429 . 1 1 76 76 LYS C C 13 176.5311 0.0000 . 1 . . . . . 74 LYS C . 27127 1 430 . 1 1 76 76 LYS CA C 13 58.4512 0.0000 . 1 . . 21837 . . 74 LYS CA . 27127 1 431 . 1 1 76 76 LYS CB C 13 32.7557 0.0000 . 1 . . 22329 . . 74 LYS CB . 27127 1 432 . 1 1 76 76 LYS CG C 13 24.4640 0.0000 . 1 . . . . . 74 LYS CG . 27127 1 433 . 1 1 76 76 LYS CD C 13 29.0630 0.0000 . 1 . . . . . 74 LYS CD . 27127 1 434 . 1 1 76 76 LYS CE C 13 42.1660 0.0000 . 1 . . . . . 74 LYS CE . 27127 1 435 . 1 1 76 76 LYS N N 15 119.5146 0.0000 . 1 . . 22586 . . 74 LYS N . 27127 1 436 . 1 1 77 77 MET H H 1 8.3047 0.0000 . 1 . . 22327 . . 75 MET H . 27127 1 437 . 1 1 77 77 MET C C 13 177.1983 0.0000 . 1 . . . . . 75 MET C . 27127 1 438 . 1 1 77 77 MET CA C 13 54.0772 0.0000 . 1 . . 21840 . . 75 MET CA . 27127 1 439 . 1 1 77 77 MET CB C 13 31.7540 0.0000 . 1 . . 21843 . . 75 MET CB . 27127 1 440 . 1 1 77 77 MET CG C 13 31.7540 0.0000 . 1 . . . . . 75 MET CG . 27127 1 441 . 1 1 77 77 MET N N 15 115.2014 0.0000 . 1 . . 22328 . . 75 MET N . 27127 1 442 . 1 1 78 78 HIS H H 1 7.7296 0.0000 . 1 . . 22687 . . 76 HIS H . 27127 1 443 . 1 1 78 78 HIS C C 13 175.7399 0.0000 . 1 . . . . . 76 HIS C . 27127 1 444 . 1 1 78 78 HIS CA C 13 57.5151 0.0000 . 1 . . 21342 . . 76 HIS CA . 27127 1 445 . 1 1 78 78 HIS CB C 13 30.3221 0.0000 . 1 . . 21987 . . 76 HIS CB . 27127 1 446 . 1 1 78 78 HIS N N 15 120.8561 0.0000 . 1 . . 22688 . . 76 HIS N . 27127 1 447 . 1 1 79 79 VAL H H 1 7.8359 0.0000 . 1 . . 22483 . . 77 VAL H . 27127 1 448 . 1 1 79 79 VAL C C 13 174.4445 0.0000 . 1 . . . . . 77 VAL C . 27127 1 449 . 1 1 79 79 VAL CA C 13 62.0365 0.0000 . 1 . . 21945 . . 77 VAL CA . 27127 1 450 . 1 1 79 79 VAL CB C 13 32.9431 0.0000 . 1 . . 21762 . . 77 VAL CB . 27127 1 451 . 1 1 79 79 VAL CG1 C 13 20.4940 0.0000 . 2 . . . . . 77 VAL CG1 . 27127 1 452 . 1 1 79 79 VAL CG2 C 13 20.4940 0.0000 . 2 . . . . . 77 VAL CG2 . 27127 1 453 . 1 1 79 79 VAL N N 15 126.1957 0.0000 . 1 . . 22484 . . 77 VAL N . 27127 1 454 . 1 1 80 80 GLN H H 1 8.4514 0.0000 . 1 . . 21754 . . 78 GLN H . 27127 1 455 . 1 1 80 80 GLN C C 13 175.1099 0.0000 . 1 . . . . . 78 GLN C . 27127 1 456 . 1 1 80 80 GLN CA C 13 55.9543 0.0000 . 1 . . 21228 . . 78 GLN CA . 27127 1 457 . 1 1 80 80 GLN CB C 13 29.3300 0.0000 . 1 . . 21807 . . 78 GLN CB . 27127 1 458 . 1 1 80 80 GLN CG C 13 33.5070 0.0000 . 1 . . . . . 78 GLN CG . 27127 1 459 . 1 1 80 80 GLN N N 15 123.9099 0.0000 . 1 . . 21755 . . 78 GLN N . 27127 1 460 . 1 1 81 81 ASN H H 1 8.3667 0.0000 . 1 . . 22615 . . 79 ASN H . 27127 1 461 . 1 1 81 81 ASN C C 13 175.5308 0.0000 . 1 . . . . . 79 ASN C . 27127 1 462 . 1 1 81 81 ASN CA C 13 53.4530 0.0000 . 1 . . 21345 . . 79 ASN CA . 27127 1 463 . 1 1 81 81 ASN CB C 13 38.9520 0.0000 . 1 . . 23905 . . 79 ASN CB . 27127 1 464 . 1 1 81 81 ASN N N 15 120.4823 0.0000 . 1 . . 22616 . . 79 ASN N . 27127 1 465 . 1 1 82 82 ARG H H 1 7.8350 0.0000 . 1 . . 21961 . . 80 ARG H . 27127 1 466 . 1 1 82 82 ARG C C 13 174.0015 0.0000 . 1 . . . . . 80 ARG C . 27127 1 467 . 1 1 82 82 ARG CA C 13 57.3778 0.0000 . 1 . . 21948 . . 80 ARG CA . 27127 1 468 . 1 1 82 82 ARG CB C 13 31.5669 0.0000 . 1 . . 21972 . . 80 ARG CB . 27127 1 469 . 1 1 82 82 ARG N N 15 126.2976 0.0000 . 1 . . 21962 . . 80 ARG N . 27127 1 stop_ save_