data_25743 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone and side-chain NMR assignments for the Bromodomain of mouse BAZ1A (ACF1) ; _BMRB_accession_number 25743 _BMRB_flat_file_name bmr25743.str _Entry_type original _Submission_date 2015-08-07 _Accession_date 2015-08-07 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Fan Kai . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 591 "13C chemical shifts" 338 "15N chemical shifts" 112 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-10-28 original BMRB . stop_ _Original_release_date 2016-10-28 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Backbone and side-chain NMR assignments for the bromodomain of mouse BAZ1A (ACF1) ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 26542424 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Fan Kai . . 2 Chen Shengrong . . 3 Ge Yifeng . . 4 Ye Kaiqin . . 5 Yao Qi . . 6 Jing Jun . . 7 Zhang Jiahai . . 8 Tu Xiaoming . . 9 Yao Bing . . stop_ _Journal_abbreviation 'Biomol. NMR Assign.' _Journal_volume 10 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 131 _Page_last 134 _Year 2016 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Baz1a-bromodomain _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Baz1a-bromodomain $Baz1a-bromodomain stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Baz1a-bromodomain _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Baz1a-bromodomain _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 131 _Mol_residue_sequence ; MNRRSSGRQGGVHELSAFEQ LVVELVRHDDSWPFLKLVSK IQVPDYYDIIKKPIALNIIR EKVNKCEYKLASEFIDDIEL MFSNCFEYNPRNTSEAKAGT RLQAFFHIQAQKLGLHVSPS TVDLEHHHHHH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1417 MET 2 1418 ASN 3 1419 ARG 4 1420 ARG 5 1421 SER 6 1422 SER 7 1423 GLY 8 1424 ARG 9 1425 GLN 10 1426 GLY 11 1427 GLY 12 1428 VAL 13 1429 HIS 14 1430 GLU 15 1431 LEU 16 1432 SER 17 1433 ALA 18 1434 PHE 19 1435 GLU 20 1436 GLN 21 1437 LEU 22 1438 VAL 23 1439 VAL 24 1440 GLU 25 1441 LEU 26 1442 VAL 27 1443 ARG 28 1444 HIS 29 1445 ASP 30 1446 ASP 31 1447 SER 32 1448 TRP 33 1449 PRO 34 1450 PHE 35 1451 LEU 36 1452 LYS 37 1453 LEU 38 1454 VAL 39 1455 SER 40 1456 LYS 41 1457 ILE 42 1458 GLN 43 1459 VAL 44 1460 PRO 45 1461 ASP 46 1462 TYR 47 1463 TYR 48 1464 ASP 49 1465 ILE 50 1466 ILE 51 1467 LYS 52 1468 LYS 53 1469 PRO 54 1470 ILE 55 1471 ALA 56 1472 LEU 57 1473 ASN 58 1474 ILE 59 1475 ILE 60 1476 ARG 61 1477 GLU 62 1478 LYS 63 1479 VAL 64 1480 ASN 65 1481 LYS 66 1482 CYS 67 1483 GLU 68 1484 TYR 69 1485 LYS 70 1486 LEU 71 1487 ALA 72 1488 SER 73 1489 GLU 74 1490 PHE 75 1491 ILE 76 1492 ASP 77 1493 ASP 78 1494 ILE 79 1495 GLU 80 1496 LEU 81 1497 MET 82 1498 PHE 83 1499 SER 84 1500 ASN 85 1501 CYS 86 1502 PHE 87 1503 GLU 88 1504 TYR 89 1505 ASN 90 1506 PRO 91 1507 ARG 92 1508 ASN 93 1509 THR 94 1510 SER 95 1511 GLU 96 1512 ALA 97 1513 LYS 98 1514 ALA 99 1515 GLY 100 1516 THR 101 1517 ARG 102 1518 LEU 103 1519 GLN 104 1520 ALA 105 1521 PHE 106 1522 PHE 107 1523 HIS 108 1524 ILE 109 1525 GLN 110 1526 ALA 111 1527 GLN 112 1528 LYS 113 1529 LEU 114 1530 GLY 115 1531 LEU 116 1532 HIS 117 1533 VAL 118 1534 SER 119 1535 PRO 120 1536 SER 121 1537 THR 122 1538 VAL 123 1539 ASP 124 1540 LEU 125 1541 GLU 126 1542 HIS 127 1543 HIS 128 1544 HIS 129 1545 HIS 130 1546 HIS 131 1547 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Baz1a-bromodomain 'house mouse' 10090 Eukaryota Metazoa Mus musculus stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $Baz1a-bromodomain 'recombinant technology' . Escherichia coli . pET22b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Baz1a-bromodomain 0.4 mM '[U-99% 13C; U-99% 15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.1 . M pH 6.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio water C 13 protons ppm 4.808 internal indirect . . . 0.25144953 water H 1 protons ppm 4.808 internal direct . . . 1 water N 15 protons ppm 4.808 internal indirect . . . 0.101329118 stop_ save_ ################################### # 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 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D C(CO)NH' '3D HNCO' '3D HNCA' '3D HNCACB' '3D HBHA(CO)NH' '3D H(CCO)NH' '3D 1H-15N NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name Baz1a-bromodomain _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1418 2 ASN HA H 4.779 0.040 1 2 1418 2 ASN HB2 H 2.793 0.001 2 3 1418 2 ASN HB3 H 2.793 0.001 2 4 1418 2 ASN CA C 53.116 0.116 1 5 1418 2 ASN CB C 38.877 0.067 1 6 1419 3 ARG H H 8.592 0.006 1 7 1419 3 ARG HA H 4.309 0.002 1 8 1419 3 ARG HB2 H 1.796 0.012 2 9 1419 3 ARG HB3 H 1.796 0.012 2 10 1419 3 ARG HG2 H 1.617 0.000 2 11 1419 3 ARG HG3 H 1.617 0.000 2 12 1419 3 ARG HD2 H 3.161 0.012 2 13 1419 3 ARG HD3 H 3.161 0.012 2 14 1419 3 ARG CA C 56.416 0.067 1 15 1419 3 ARG CB C 30.766 0.117 1 16 1419 3 ARG CG C 27.336 0.000 1 17 1419 3 ARG CD C 43.195 0.000 1 18 1419 3 ARG N N 122.605 0.030 1 19 1420 4 ARG H H 8.526 0.005 1 20 1420 4 ARG HA H 4.339 0.000 1 21 1420 4 ARG HB2 H 1.820 0.007 2 22 1420 4 ARG HB3 H 1.820 0.007 2 23 1420 4 ARG HG2 H 1.635 0.001 2 24 1420 4 ARG HG3 H 1.635 0.001 2 25 1420 4 ARG HD2 H 3.177 0.000 2 26 1420 4 ARG HD3 H 3.177 0.000 2 27 1420 4 ARG CA C 56.343 0.081 1 28 1420 4 ARG CB C 30.719 0.138 1 29 1420 4 ARG CG C 27.282 0.000 1 30 1420 4 ARG CD C 43.195 0.000 1 31 1420 4 ARG N N 122.603 0.014 1 32 1421 5 SER H H 8.456 0.006 1 33 1421 5 SER HA H 4.470 0.002 1 34 1421 5 SER HB2 H 3.876 0.000 2 35 1421 5 SER HB3 H 3.876 0.000 2 36 1421 5 SER CA C 58.449 0.082 1 37 1421 5 SER CB C 63.922 0.065 1 38 1421 5 SER N N 117.419 0.116 1 39 1422 6 SER H H 8.460 0.006 1 40 1422 6 SER HA H 4.459 0.003 1 41 1422 6 SER HB2 H 3.888 0.000 2 42 1422 6 SER HB3 H 3.888 0.000 2 43 1422 6 SER CA C 58.617 0.065 1 44 1422 6 SER CB C 63.966 0.105 1 45 1422 6 SER N N 117.928 0.095 1 46 1423 7 GLY H H 8.451 0.006 1 47 1423 7 GLY HA2 H 3.963 0.004 2 48 1423 7 GLY HA3 H 3.963 0.004 2 49 1423 7 GLY CA C 45.337 0.036 1 50 1423 7 GLY N N 117.928 0.095 1 51 1424 8 ARG H H 8.283 0.006 1 52 1424 8 ARG HA H 4.311 0.006 1 53 1424 8 ARG HB2 H 1.775 0.010 2 54 1424 8 ARG HB3 H 1.775 0.010 2 55 1424 8 ARG HG2 H 1.586 0.008 2 56 1424 8 ARG HG3 H 1.586 0.008 2 57 1424 8 ARG HD2 H 3.160 0.000 2 58 1424 8 ARG HD3 H 3.160 0.000 2 59 1424 8 ARG CA C 56.275 0.070 1 60 1424 8 ARG CB C 30.760 0.090 1 61 1424 8 ARG CG C 27.229 0.000 1 62 1424 8 ARG CD C 43.182 0.000 1 63 1424 8 ARG N N 120.789 0.033 1 64 1425 9 GLN H H 8.614 0.004 1 65 1425 9 GLN HA H 4.334 0.005 1 66 1425 9 GLN HB2 H 2.144 0.000 2 67 1425 9 GLN HB3 H 2.025 0.000 2 68 1425 9 GLN HG2 H 2.357 0.008 2 69 1425 9 GLN HG3 H 2.357 0.008 2 70 1425 9 GLN CA C 56.115 0.071 1 71 1425 9 GLN CB C 29.507 0.058 1 72 1425 9 GLN CG C 33.672 0.000 1 73 1425 9 GLN N N 122.138 0.037 1 74 1426 10 GLY H H 8.542 0.005 1 75 1426 10 GLY HA2 H 3.970 0.003 2 76 1426 10 GLY HA3 H 3.970 0.003 2 77 1426 10 GLY CA C 45.339 0.040 1 78 1426 10 GLY N N 110.494 0.042 1 79 1427 11 GLY H H 8.330 0.008 1 80 1427 11 GLY HA2 H 3.976 0.003 2 81 1427 11 GLY HA3 H 3.976 0.003 2 82 1427 11 GLY CA C 45.214 0.021 1 83 1427 11 GLY N N 108.762 0.016 1 84 1428 12 VAL H H 8.090 0.005 1 85 1428 12 VAL HA H 4.041 0.002 1 86 1428 12 VAL HB H 2.005 0.010 1 87 1428 12 VAL HG1 H 0.850 0.009 2 88 1428 12 VAL HG2 H 0.850 0.009 2 89 1428 12 VAL CA C 62.627 0.107 1 90 1428 12 VAL CB C 32.605 0.105 1 91 1428 12 VAL CG1 C 21.214 0.000 2 92 1428 12 VAL CG2 C 21.214 0.000 2 93 1428 12 VAL N N 119.311 0.031 1 94 1429 13 HIS H H 8.478 0.013 1 95 1429 13 HIS HA H 4.593 0.008 1 96 1429 13 HIS HB2 H 3.101 0.016 2 97 1429 13 HIS HB3 H 3.101 0.016 2 98 1429 13 HIS CA C 56.283 0.047 1 99 1429 13 HIS CB C 30.307 0.174 1 100 1429 13 HIS N N 122.850 0.058 1 101 1430 14 GLU H H 8.348 0.009 1 102 1430 14 GLU HA H 4.116 0.009 1 103 1430 14 GLU HB2 H 1.847 0.018 2 104 1430 14 GLU HB3 H 1.847 0.018 2 105 1430 14 GLU HG2 H 2.145 0.010 2 106 1430 14 GLU HG3 H 2.145 0.010 2 107 1430 14 GLU CA C 56.788 0.144 1 108 1430 14 GLU CB C 30.258 0.053 1 109 1430 14 GLU CG C 36.348 0.000 1 110 1430 14 GLU N N 122.613 0.035 1 111 1431 15 LEU H H 8.237 0.007 1 112 1431 15 LEU HA H 4.082 0.000 1 113 1431 15 LEU HB2 H 1.635 0.008 2 114 1431 15 LEU HB3 H 1.528 0.000 2 115 1431 15 LEU HD1 H 0.877 0.007 2 116 1431 15 LEU HD2 H 0.854 0.000 2 117 1431 15 LEU CA C 55.890 0.028 1 118 1431 15 LEU CB C 42.559 0.352 1 119 1431 15 LEU CG C 27.290 0.000 1 120 1431 15 LEU CD1 C 25.292 0.000 2 121 1431 15 LEU CD2 C 23.723 0.000 2 122 1431 15 LEU N N 122.190 0.031 1 123 1432 16 SER H H 8.540 0.011 1 124 1432 16 SER HA H 4.263 0.013 1 125 1432 16 SER HB2 H 4.054 0.000 2 126 1432 16 SER HB3 H 4.054 0.000 2 127 1432 16 SER CA C 58.778 0.018 1 128 1432 16 SER CB C 63.939 0.000 1 129 1432 16 SER N N 117.132 0.098 1 130 1433 17 ALA H H 8.377 0.010 1 131 1433 17 ALA HA H 4.067 0.016 1 132 1433 17 ALA HB H 1.331 0.008 1 133 1433 17 ALA CA C 55.272 0.061 1 134 1433 17 ALA CB C 18.421 0.100 1 135 1433 17 ALA N N 124.560 0.053 1 136 1434 18 PHE H H 7.393 0.008 1 137 1434 18 PHE HA H 3.977 0.002 1 138 1434 18 PHE HB2 H 2.796 0.003 2 139 1434 18 PHE HB3 H 2.316 0.013 2 140 1434 18 PHE CA C 57.093 0.000 1 141 1434 18 PHE CB C 37.410 0.046 1 142 1434 18 PHE N N 114.053 0.036 1 143 1435 19 GLU H H 7.737 0.011 1 144 1435 19 GLU HA H 3.929 0.000 1 145 1435 19 GLU HB2 H 2.094 0.000 2 146 1435 19 GLU HB3 H 2.094 0.000 2 147 1435 19 GLU HG2 H 2.270 0.000 2 148 1435 19 GLU HG3 H 2.270 0.000 2 149 1435 19 GLU CA C 59.811 0.052 1 150 1435 19 GLU CB C 29.967 0.000 1 151 1435 19 GLU CG C 36.930 0.000 1 152 1435 19 GLU N N 118.194 0.095 1 153 1436 20 GLN H H 8.410 0.011 1 154 1436 20 GLN HA H 3.228 0.009 1 155 1436 20 GLN HG2 H 2.370 0.000 2 156 1436 20 GLN HG3 H 2.370 0.000 2 157 1436 20 GLN CA C 59.176 0.077 1 158 1436 20 GLN CB C 28.448 0.000 1 159 1436 20 GLN N N 117.427 0.118 1 160 1437 21 LEU H H 8.113 0.006 1 161 1437 21 LEU HA H 4.179 0.008 1 162 1437 21 LEU HB2 H 1.956 0.011 2 163 1437 21 LEU HB3 H 1.956 0.011 2 164 1437 21 LEU HG H 1.553 0.000 1 165 1437 21 LEU HD1 H 1.019 0.015 2 166 1437 21 LEU HD2 H 1.019 0.015 2 167 1437 21 LEU CA C 58.343 0.103 1 168 1437 21 LEU CB C 41.577 0.029 1 169 1437 21 LEU CG C 27.813 0.000 1 170 1437 21 LEU CD1 C 25.567 0.000 2 171 1437 21 LEU CD2 C 25.567 0.000 2 172 1437 21 LEU N N 118.352 0.063 1 173 1438 22 VAL H H 8.210 0.007 1 174 1438 22 VAL HA H 3.650 0.006 1 175 1438 22 VAL HB H 2.347 0.010 1 176 1438 22 VAL HG1 H 1.066 0.010 2 177 1438 22 VAL HG2 H 1.066 0.010 2 178 1438 22 VAL CA C 68.040 0.064 1 179 1438 22 VAL CB C 31.371 0.114 1 180 1438 22 VAL CG1 C 24.958 0.000 2 181 1438 22 VAL CG2 C 22.292 0.000 2 182 1438 22 VAL N N 117.758 0.054 1 183 1439 23 VAL H H 8.150 0.042 1 184 1439 23 VAL HA H 3.626 0.010 1 185 1439 23 VAL HB H 2.279 0.004 1 186 1439 23 VAL HG1 H 0.979 0.010 2 187 1439 23 VAL HG2 H 0.979 0.010 2 188 1439 23 VAL CA C 67.211 0.071 1 189 1439 23 VAL CB C 31.326 0.105 1 190 1439 23 VAL CG1 C 23.410 0.000 2 191 1439 23 VAL CG2 C 21.150 0.000 2 192 1439 23 VAL N N 119.427 0.042 1 193 1440 24 GLU H H 8.173 0.007 1 194 1440 24 GLU HA H 4.142 0.010 1 195 1440 24 GLU HB2 H 2.388 0.000 2 196 1440 24 GLU HB3 H 2.388 0.000 2 197 1440 24 GLU HG2 H 2.621 0.000 2 198 1440 24 GLU HG3 H 2.621 0.000 2 199 1440 24 GLU CA C 59.479 0.000 1 200 1440 24 GLU N N 118.102 0.049 1 201 1441 25 LEU H H 8.423 0.006 1 202 1441 25 LEU HA H 3.584 0.000 1 203 1441 25 LEU HB2 H 2.234 0.000 2 204 1441 25 LEU HB3 H 2.234 0.000 2 205 1441 25 LEU HG H 1.888 0.000 1 206 1441 25 LEU HD1 H 1.065 0.000 2 207 1441 25 LEU HD2 H 0.727 0.006 2 208 1441 25 LEU CA C 58.523 0.042 1 209 1441 25 LEU CB C 41.965 0.071 1 210 1441 25 LEU CD1 C 26.829 0.000 2 211 1441 25 LEU CD2 C 26.829 0.000 2 212 1441 25 LEU N N 117.783 0.120 1 213 1442 26 VAL H H 8.422 0.008 1 214 1442 26 VAL HA H 3.505 0.010 1 215 1442 26 VAL HB H 2.232 0.013 1 216 1442 26 VAL HG1 H 1.084 0.000 2 217 1442 26 VAL HG2 H 0.933 0.007 2 218 1442 26 VAL CA C 66.567 0.126 1 219 1442 26 VAL CB C 32.117 0.112 1 220 1442 26 VAL CG1 C 24.305 0.000 2 221 1442 26 VAL CG2 C 21.708 0.000 2 222 1442 26 VAL N N 116.046 0.079 1 223 1443 27 ARG H H 7.888 0.009 1 224 1443 27 ARG HA H 4.170 0.007 1 225 1443 27 ARG HB2 H 1.934 0.009 2 226 1443 27 ARG HB3 H 1.934 0.009 2 227 1443 27 ARG HG2 H 1.883 0.012 2 228 1443 27 ARG HG3 H 1.883 0.012 2 229 1443 27 ARG HD2 H 3.122 0.008 2 230 1443 27 ARG HD3 H 3.122 0.008 2 231 1443 27 ARG CA C 57.128 0.058 1 232 1443 27 ARG CB C 30.949 0.034 1 233 1443 27 ARG CG C 27.533 0.000 1 234 1443 27 ARG CD C 44.051 0.000 1 235 1443 27 ARG N N 116.215 0.051 1 236 1444 28 HIS H H 7.419 0.005 1 237 1444 28 HIS HA H 3.920 0.006 1 238 1444 28 HIS HB2 H 2.906 0.011 2 239 1444 28 HIS HB3 H 2.906 0.011 2 240 1444 28 HIS CA C 58.491 0.101 1 241 1444 28 HIS CB C 31.888 0.035 1 242 1444 28 HIS N N 123.488 0.050 1 243 1445 29 ASP H H 8.181 0.005 1 244 1445 29 ASP HA H 4.413 0.000 1 245 1445 29 ASP CA C 58.004 0.000 1 246 1445 29 ASP CB C 41.345 0.000 1 247 1445 29 ASP N N 126.724 0.042 1 248 1446 30 ASP HA H 5.191 0.014 1 249 1446 30 ASP HB2 H 3.460 0.020 2 250 1446 30 ASP HB3 H 2.875 0.000 2 251 1446 30 ASP CA C 55.812 0.098 1 252 1446 30 ASP CB C 41.471 0.021 1 253 1447 31 SER H H 8.217 0.005 1 254 1447 31 SER HA H 4.340 0.017 1 255 1447 31 SER HB2 H 3.920 0.006 2 256 1447 31 SER HB3 H 3.920 0.006 2 257 1447 31 SER CA C 59.884 0.189 1 258 1447 31 SER CB C 65.335 0.048 1 259 1447 31 SER N N 110.377 0.078 1 260 1448 32 TRP H H 7.152 0.006 1 261 1448 32 TRP CA C 60.302 0.000 1 262 1448 32 TRP CB C 27.836 0.000 1 263 1448 32 TRP N N 121.083 0.005 1 264 1449 33 PRO HA H 4.241 0.010 1 265 1449 33 PRO HB2 H 1.395 0.007 2 266 1449 33 PRO HB3 H 1.395 0.007 2 267 1449 33 PRO HD2 H 2.528 0.000 2 268 1449 33 PRO HD3 H 2.528 0.000 2 269 1449 33 PRO CA C 63.886 0.137 1 270 1449 33 PRO CB C 29.785 0.001 1 271 1449 33 PRO CG C 19.250 0.000 1 272 1450 34 PHE H H 8.261 0.004 1 273 1450 34 PHE HA H 4.616 0.005 1 274 1450 34 PHE CA C 57.719 0.020 1 275 1450 34 PHE CB C 40.755 0.062 1 276 1450 34 PHE N N 112.962 0.070 1 277 1451 35 LEU H H 7.239 0.004 1 278 1451 35 LEU HA H 4.001 0.006 1 279 1451 35 LEU HB2 H 1.918 0.012 2 280 1451 35 LEU HB3 H 1.504 0.007 2 281 1451 35 LEU HG H 1.512 0.000 1 282 1451 35 LEU HD1 H 1.007 0.008 2 283 1451 35 LEU HD2 H 1.007 0.008 2 284 1451 35 LEU CA C 58.601 0.119 1 285 1451 35 LEU CB C 41.953 0.103 1 286 1451 35 LEU CG C 25.594 0.000 1 287 1451 35 LEU CD1 C 22.296 0.000 2 288 1451 35 LEU CD2 C 22.296 0.000 2 289 1451 35 LEU N N 120.581 0.018 1 290 1452 36 LYS H H 7.639 0.005 1 291 1452 36 LYS HA H 4.582 0.007 1 292 1452 36 LYS HB2 H 1.788 0.002 2 293 1452 36 LYS HB3 H 1.604 0.008 2 294 1452 36 LYS HG2 H 1.111 0.008 2 295 1452 36 LYS HG3 H 1.111 0.008 2 296 1452 36 LYS HD2 H 1.283 0.011 2 297 1452 36 LYS HD3 H 1.283 0.011 2 298 1452 36 LYS HE2 H 2.923 0.009 2 299 1452 36 LYS HE3 H 2.923 0.009 2 300 1452 36 LYS CA C 53.939 0.115 1 301 1452 36 LYS CB C 35.894 0.022 1 302 1452 36 LYS CG C 23.549 0.000 1 303 1452 36 LYS CD C 29.349 0.000 1 304 1452 36 LYS CE C 41.902 0.000 1 305 1452 36 LYS N N 111.947 0.067 1 306 1453 37 LEU H H 8.747 0.008 1 307 1453 37 LEU HA H 4.168 0.005 1 308 1453 37 LEU HB2 H 1.654 0.000 2 309 1453 37 LEU HB3 H 1.654 0.000 2 310 1453 37 LEU HG H 1.355 0.000 1 311 1453 37 LEU HD1 H 0.909 0.012 2 312 1453 37 LEU HD2 H 0.743 0.011 2 313 1453 37 LEU CA C 54.793 0.152 1 314 1453 37 LEU CB C 41.489 0.076 1 315 1453 37 LEU CG C 26.563 0.000 1 316 1453 37 LEU CD1 C 24.050 0.000 2 317 1453 37 LEU CD2 C 24.050 0.000 2 318 1453 37 LEU N N 123.367 0.031 1 319 1454 38 VAL H H 7.775 0.005 1 320 1454 38 VAL HA H 3.761 0.004 1 321 1454 38 VAL HB H 1.484 0.005 1 322 1454 38 VAL HG1 H 0.551 0.014 2 323 1454 38 VAL HG2 H 0.319 0.009 2 324 1454 38 VAL CA C 61.803 0.043 1 325 1454 38 VAL CB C 32.350 0.051 1 326 1454 38 VAL CG1 C 20.931 0.000 2 327 1454 38 VAL CG2 C 20.931 0.000 2 328 1454 38 VAL N N 118.979 0.048 1 329 1455 39 SER H H 8.637 0.007 1 330 1455 39 SER HA H 4.393 0.005 1 331 1455 39 SER HB2 H 4.091 0.001 2 332 1455 39 SER HB3 H 3.788 0.000 2 333 1455 39 SER CA C 57.486 0.054 1 334 1455 39 SER CB C 63.603 0.012 1 335 1455 39 SER N N 119.531 0.059 1 336 1456 40 LYS H H 8.917 0.005 1 337 1456 40 LYS HA H 3.927 0.008 1 338 1456 40 LYS HB2 H 1.462 0.009 2 339 1456 40 LYS HB3 H 1.462 0.009 2 340 1456 40 LYS HG2 H 1.149 0.010 2 341 1456 40 LYS HG3 H 1.149 0.010 2 342 1456 40 LYS HD2 H 1.312 0.007 2 343 1456 40 LYS HD3 H 1.312 0.007 2 344 1456 40 LYS HE2 H 2.671 0.001 2 345 1456 40 LYS HE3 H 2.671 0.001 2 346 1456 40 LYS CA C 58.525 0.203 1 347 1456 40 LYS CB C 32.578 0.056 1 348 1456 40 LYS CG C 24.983 0.000 1 349 1456 40 LYS CD C 29.408 0.000 1 350 1456 40 LYS CE C 41.870 0.000 1 351 1456 40 LYS N N 129.609 0.037 1 352 1457 41 ILE H H 7.509 0.004 1 353 1457 41 ILE HA H 3.798 0.010 1 354 1457 41 ILE HB H 1.650 0.006 1 355 1457 41 ILE HG12 H 1.456 0.008 2 356 1457 41 ILE HG13 H 1.456 0.008 2 357 1457 41 ILE HG2 H 1.179 0.014 1 358 1457 41 ILE HD1 H 0.834 0.007 1 359 1457 41 ILE CA C 62.618 0.117 1 360 1457 41 ILE CB C 37.964 0.131 1 361 1457 41 ILE CG1 C 28.455 0.000 1 362 1457 41 ILE CG2 C 17.654 0.000 1 363 1457 41 ILE N N 115.678 0.033 1 364 1458 42 GLN H H 7.221 0.007 1 365 1458 42 GLN HA H 4.220 0.005 1 366 1458 42 GLN HB2 H 2.194 0.007 2 367 1458 42 GLN HB3 H 2.040 0.006 2 368 1458 42 GLN HG2 H 2.414 0.013 2 369 1458 42 GLN HG3 H 2.414 0.013 2 370 1458 42 GLN CA C 57.579 0.047 1 371 1458 42 GLN CB C 30.235 0.014 1 372 1458 42 GLN CG C 34.121 0.000 1 373 1458 42 GLN N N 117.228 0.055 1 374 1459 43 VAL H H 7.919 0.005 1 375 1459 43 VAL CA C 59.015 0.000 1 376 1459 43 VAL CB C 30.381 0.000 1 377 1459 43 VAL N N 117.784 0.037 1 378 1460 44 PRO HA H 4.586 0.001 1 379 1460 44 PRO HB2 H 2.405 0.005 2 380 1460 44 PRO HB3 H 2.060 0.006 2 381 1460 44 PRO HD2 H 3.715 0.011 2 382 1460 44 PRO HD3 H 3.715 0.011 2 383 1460 44 PRO CA C 65.737 0.039 1 384 1460 44 PRO CB C 31.414 0.096 1 385 1460 44 PRO CG C 27.451 0.000 1 386 1460 44 PRO CD C 50.095 0.000 1 387 1461 45 ASP H H 8.586 0.006 1 388 1461 45 ASP HA H 4.542 0.013 1 389 1461 45 ASP HB2 H 2.935 0.014 2 390 1461 45 ASP HB3 H 2.766 0.013 2 391 1461 45 ASP CA C 55.561 0.063 1 392 1461 45 ASP CB C 40.221 0.031 1 393 1461 45 ASP N N 115.751 0.082 1 394 1462 46 TYR H H 7.633 0.006 1 395 1462 46 TYR HA H 3.521 0.014 1 396 1462 46 TYR HB2 H 2.558 0.011 2 397 1462 46 TYR HB3 H 2.558 0.011 2 398 1462 46 TYR CA C 62.245 0.021 1 399 1462 46 TYR CB C 38.855 0.091 1 400 1462 46 TYR N N 121.384 0.038 1 401 1463 47 TYR H H 7.294 0.008 1 402 1463 47 TYR HA H 4.031 0.004 1 403 1463 47 TYR HB2 H 3.295 0.009 2 404 1463 47 TYR HB3 H 2.805 0.000 2 405 1463 47 TYR CA C 59.950 0.157 1 406 1463 47 TYR CB C 41.192 0.041 1 407 1463 47 TYR N N 112.749 0.045 1 408 1464 48 ASP H H 7.386 0.007 1 409 1464 48 ASP HA H 4.624 0.016 1 410 1464 48 ASP HB2 H 2.757 0.007 2 411 1464 48 ASP HB3 H 2.757 0.007 2 412 1464 48 ASP CA C 55.884 0.109 1 413 1464 48 ASP CB C 41.192 0.041 1 414 1464 48 ASP N N 119.014 0.033 1 415 1465 49 ILE H H 7.069 0.008 1 416 1465 49 ILE HA H 4.586 0.003 1 417 1465 49 ILE HB H 2.616 0.000 1 418 1465 49 ILE HG12 H 1.603 0.003 2 419 1465 49 ILE HG13 H 1.603 0.003 2 420 1465 49 ILE HG2 H 0.877 0.007 1 421 1465 49 ILE HD1 H 0.877 0.007 1 422 1465 49 ILE CA C 62.611 0.000 1 423 1465 49 ILE CB C 41.085 0.059 1 424 1465 49 ILE CG1 C 29.763 0.000 1 425 1465 49 ILE CG2 C 17.221 0.000 1 426 1465 49 ILE N N 119.159 0.024 1 427 1466 50 ILE H H 8.024 0.011 1 428 1466 50 ILE HA H 3.868 0.012 1 429 1466 50 ILE HB H 1.367 0.004 1 430 1466 50 ILE HG2 H 0.309 0.011 1 431 1466 50 ILE HD1 H 0.309 0.011 1 432 1466 50 ILE CA C 57.287 0.092 1 433 1466 50 ILE CB C 33.588 0.100 1 434 1466 50 ILE CG2 C 16.525 0.000 1 435 1466 50 ILE N N 120.561 0.050 1 436 1467 51 LYS H H 7.947 0.006 1 437 1467 51 LYS HA H 4.078 0.012 1 438 1467 51 LYS CA C 57.431 0.000 1 439 1467 51 LYS CB C 32.504 0.143 1 440 1467 51 LYS CG C 24.966 0.000 1 441 1467 51 LYS CD C 28.350 0.000 1 442 1467 51 LYS CE C 42.096 0.000 1 443 1467 51 LYS N N 125.474 0.047 1 444 1468 52 LYS H H 8.405 0.006 1 445 1468 52 LYS N N 119.599 0.047 1 446 1470 54 ILE HA H 4.236 0.010 1 447 1470 54 ILE HB H 1.725 0.003 1 448 1470 54 ILE HG12 H 0.989 0.000 2 449 1470 54 ILE HG13 H 0.989 0.000 2 450 1470 54 ILE HG2 H 0.953 0.001 1 451 1470 54 ILE HD1 H 0.586 0.004 1 452 1470 54 ILE CA C 62.911 0.267 1 453 1470 54 ILE CB C 40.964 0.255 1 454 1470 54 ILE CG1 C 30.858 0.000 1 455 1470 54 ILE CD1 C 15.044 0.000 1 456 1471 55 ALA H H 6.621 0.007 1 457 1471 55 ALA HA H 4.491 0.002 1 458 1471 55 ALA HB H 1.322 0.008 1 459 1471 55 ALA CA C 51.456 0.009 1 460 1471 55 ALA CB C 21.330 0.058 1 461 1471 55 ALA N N 124.197 0.056 1 462 1472 56 LEU H H 9.267 0.005 1 463 1472 56 LEU HA H 3.950 0.000 1 464 1472 56 LEU HB2 H 1.269 0.000 2 465 1472 56 LEU HB3 H 1.269 0.000 2 466 1472 56 LEU HD1 H 0.747 0.000 2 467 1472 56 LEU HD2 H 0.711 0.000 2 468 1472 56 LEU CA C 58.557 0.000 1 469 1472 56 LEU CB C 42.296 0.159 1 470 1472 56 LEU CG C 30.020 0.000 1 471 1472 56 LEU CD1 C 26.726 0.000 2 472 1472 56 LEU CD2 C 23.145 0.000 2 473 1472 56 LEU N N 118.611 0.035 1 474 1473 57 ASN H H 8.382 0.007 1 475 1473 57 ASN HA H 4.329 0.007 1 476 1473 57 ASN HB2 H 3.128 0.018 2 477 1473 57 ASN HB3 H 2.914 0.012 2 478 1473 57 ASN CA C 56.977 0.051 1 479 1473 57 ASN CB C 34.946 0.031 1 480 1473 57 ASN N N 117.106 0.099 1 481 1474 58 ILE H H 7.230 0.007 1 482 1474 58 ILE HA H 3.776 0.006 1 483 1474 58 ILE HB H 1.804 0.005 1 484 1474 58 ILE HG12 H 0.957 0.000 2 485 1474 58 ILE HG13 H 0.957 0.000 2 486 1474 58 ILE HG2 H 0.437 0.017 1 487 1474 58 ILE HD1 H 0.437 0.017 1 488 1474 58 ILE CA C 63.836 0.094 1 489 1474 58 ILE CB C 39.522 0.000 1 490 1474 58 ILE N N 124.865 0.064 1 491 1475 59 ILE H H 7.582 0.011 1 492 1475 59 ILE HA H 3.902 0.009 1 493 1475 59 ILE HB H 1.630 0.009 1 494 1475 59 ILE CA C 65.514 0.079 1 495 1475 59 ILE CB C 39.080 0.000 1 496 1475 59 ILE CD1 C 17.113 0.000 1 497 1475 59 ILE N N 120.988 0.069 1 498 1476 60 ARG H H 8.830 0.009 1 499 1476 60 ARG HA H 3.918 0.001 1 500 1476 60 ARG HB2 H 2.068 0.000 2 501 1476 60 ARG HB3 H 1.879 0.000 2 502 1476 60 ARG HG2 H 1.768 0.013 2 503 1476 60 ARG HG3 H 1.768 0.013 2 504 1476 60 ARG HD2 H 3.178 0.010 2 505 1476 60 ARG HD3 H 3.178 0.010 2 506 1476 60 ARG CA C 60.226 0.022 1 507 1476 60 ARG CB C 30.304 0.112 1 508 1476 60 ARG CG C 27.074 0.000 1 509 1476 60 ARG CD C 43.835 0.000 1 510 1476 60 ARG N N 119.265 0.038 1 511 1477 61 GLU H H 7.621 0.005 1 512 1477 61 GLU HB2 H 2.114 0.009 2 513 1477 61 GLU HB3 H 2.114 0.009 2 514 1477 61 GLU HG2 H 2.336 0.009 2 515 1477 61 GLU HG3 H 2.336 0.009 2 516 1477 61 GLU CA C 59.500 0.078 1 517 1477 61 GLU CB C 29.248 0.055 1 518 1477 61 GLU CG C 36.081 0.000 1 519 1477 61 GLU N N 119.006 0.045 1 520 1478 62 LYS H H 8.101 0.005 1 521 1478 62 LYS HA H 3.770 0.002 1 522 1478 62 LYS HB2 H 2.127 0.000 2 523 1478 62 LYS HB3 H 2.127 0.000 2 524 1478 62 LYS HG2 H 1.316 0.000 2 525 1478 62 LYS HG3 H 1.316 0.000 2 526 1478 62 LYS HD2 H 1.692 0.000 2 527 1478 62 LYS HD3 H 1.692 0.000 2 528 1478 62 LYS HE2 H 2.921 0.000 2 529 1478 62 LYS HE3 H 2.921 0.000 2 530 1478 62 LYS CA C 60.852 0.000 1 531 1478 62 LYS CB C 32.054 0.071 1 532 1478 62 LYS N N 120.028 0.041 1 533 1479 63 VAL H H 8.546 0.007 1 534 1479 63 VAL HA H 4.007 0.003 1 535 1479 63 VAL HB H 2.546 0.014 1 536 1479 63 VAL HG1 H 1.338 0.006 2 537 1479 63 VAL HG2 H 1.031 0.008 2 538 1479 63 VAL CA C 66.721 0.018 1 539 1479 63 VAL CG1 C 24.668 0.000 2 540 1479 63 VAL CG2 C 22.763 0.000 2 541 1479 63 VAL N N 119.350 0.055 1 542 1480 64 ASN H H 8.605 0.006 1 543 1480 64 ASN HA H 4.487 0.005 1 544 1480 64 ASN HB2 H 2.948 0.010 2 545 1480 64 ASN HB3 H 2.948 0.010 2 546 1480 64 ASN CA C 56.349 0.028 1 547 1480 64 ASN CB C 38.472 0.085 1 548 1480 64 ASN N N 121.152 0.074 1 549 1481 65 LYS H H 8.122 0.007 1 550 1481 65 LYS HA H 3.981 0.000 1 551 1481 65 LYS HB2 H 2.065 0.007 2 552 1481 65 LYS HB3 H 2.065 0.007 2 553 1481 65 LYS HG2 H 1.659 0.000 2 554 1481 65 LYS HG3 H 1.659 0.000 2 555 1481 65 LYS HE2 H 2.936 0.000 2 556 1481 65 LYS HE3 H 2.936 0.000 2 557 1481 65 LYS CA C 56.217 0.013 1 558 1481 65 LYS CB C 32.752 0.122 1 559 1481 65 LYS CG C 25.523 0.000 1 560 1481 65 LYS CD C 29.130 0.000 1 561 1481 65 LYS CE C 41.888 0.000 1 562 1481 65 LYS N N 117.015 0.044 1 563 1482 66 CYS H H 8.245 0.008 1 564 1482 66 CYS HA H 4.293 0.011 1 565 1482 66 CYS HB2 H 3.128 0.013 2 566 1482 66 CYS HB3 H 3.128 0.013 2 567 1482 66 CYS CA C 60.139 0.067 1 568 1482 66 CYS CB C 24.948 0.074 1 569 1482 66 CYS N N 116.128 0.050 1 570 1483 67 GLU H H 8.368 0.007 1 571 1483 67 GLU HA H 3.989 0.005 1 572 1483 67 GLU HB2 H 1.306 0.009 2 573 1483 67 GLU HB3 H 1.306 0.009 2 574 1483 67 GLU HG2 H 1.987 0.000 2 575 1483 67 GLU HG3 H 1.987 0.000 2 576 1483 67 GLU CA C 57.839 0.066 1 577 1483 67 GLU CB C 30.237 0.023 1 578 1483 67 GLU CG C 37.356 0.000 1 579 1483 67 GLU N N 114.991 0.045 1 580 1484 68 TYR H H 7.427 0.006 1 581 1484 68 TYR HA H 4.719 0.004 1 582 1484 68 TYR HB2 H 2.793 0.013 2 583 1484 68 TYR HB3 H 2.793 0.013 2 584 1484 68 TYR CA C 57.745 0.087 1 585 1484 68 TYR CB C 38.263 0.083 1 586 1484 68 TYR N N 116.560 0.026 1 587 1485 69 LYS H H 9.314 0.006 1 588 1485 69 LYS HA H 4.384 0.006 1 589 1485 69 LYS HB2 H 1.973 0.009 2 590 1485 69 LYS HB3 H 1.973 0.009 2 591 1485 69 LYS HG2 H 1.560 0.013 2 592 1485 69 LYS HG3 H 1.560 0.013 2 593 1485 69 LYS HD2 H 1.668 0.009 2 594 1485 69 LYS HD3 H 1.668 0.009 2 595 1485 69 LYS HE2 H 3.045 0.006 2 596 1485 69 LYS HE3 H 3.045 0.006 2 597 1485 69 LYS CA C 57.070 0.087 1 598 1485 69 LYS CB C 32.980 0.058 1 599 1485 69 LYS CG C 25.268 0.000 1 600 1485 69 LYS CD C 28.631 0.000 1 601 1485 69 LYS CE C 42.428 0.000 1 602 1485 69 LYS N N 124.764 0.056 1 603 1486 70 LEU H H 7.776 0.007 1 604 1486 70 LEU HA H 4.834 0.008 1 605 1486 70 LEU HB2 H 1.619 0.014 2 606 1486 70 LEU HB3 H 1.619 0.014 2 607 1486 70 LEU HD1 H 0.984 0.010 2 608 1486 70 LEU HD2 H 0.961 0.000 2 609 1486 70 LEU CA C 53.028 0.051 1 610 1486 70 LEU CB C 46.567 0.003 1 611 1486 70 LEU CG C 25.751 0.000 1 612 1486 70 LEU CD1 C 23.116 0.000 2 613 1486 70 LEU CD2 C 23.116 0.000 2 614 1486 70 LEU N N 117.925 0.007 1 615 1487 71 ALA H H 9.295 0.012 1 616 1487 71 ALA HA H 4.189 0.000 1 617 1487 71 ALA HB H 1.653 0.002 1 618 1487 71 ALA CB C 18.411 0.079 1 619 1487 71 ALA N N 125.428 0.074 1 620 1488 72 SER H H 8.498 0.005 1 621 1488 72 SER HA H 4.796 0.009 1 622 1488 72 SER HB2 H 3.970 0.006 2 623 1488 72 SER HB3 H 3.976 0.006 2 624 1488 72 SER CA C 61.183 0.162 1 625 1488 72 SER CB C 61.584 0.000 1 626 1488 72 SER N N 110.850 0.034 1 627 1489 73 GLU H H 7.136 0.011 1 628 1489 73 GLU HA H 4.169 0.011 1 629 1489 73 GLU HB2 H 2.359 0.029 2 630 1489 73 GLU HB3 H 2.359 0.029 2 631 1489 73 GLU CA C 58.536 0.014 1 632 1489 73 GLU CB C 31.546 0.000 1 633 1489 73 GLU CG C 37.008 0.000 1 634 1489 73 GLU N N 120.869 0.116 1 635 1490 74 PHE H H 6.621 0.007 1 636 1490 74 PHE CA C 59.502 0.000 1 637 1491 75 ILE HA H 3.215 0.009 1 638 1491 75 ILE HB H 1.956 0.000 1 639 1491 75 ILE HG12 H 1.047 0.016 2 640 1491 75 ILE HG13 H 1.047 0.016 2 641 1491 75 ILE HG2 H 0.781 0.018 1 642 1491 75 ILE HD1 H 0.781 0.018 1 643 1491 75 ILE CA C 69.663 0.000 1 644 1491 75 ILE CB C 36.810 0.000 1 645 1491 75 ILE CG1 C 28.350 0.000 1 646 1491 75 ILE CG2 C 21.398 0.000 1 647 1491 75 ILE CD1 C 18.733 0.000 1 648 1492 76 ASP H H 8.376 0.008 1 649 1492 76 ASP HA H 4.297 0.011 1 650 1492 76 ASP HB2 H 2.812 0.013 2 651 1492 76 ASP HB3 H 2.544 0.015 2 652 1492 76 ASP CA C 57.540 0.042 1 653 1492 76 ASP CB C 39.904 0.054 1 654 1492 76 ASP N N 117.725 0.081 1 655 1493 77 ASP H H 7.202 0.005 1 656 1493 77 ASP HA H 4.482 0.010 1 657 1493 77 ASP HB2 H 2.263 0.005 2 658 1493 77 ASP HB3 H 2.263 0.005 2 659 1493 77 ASP CA C 57.239 0.097 1 660 1493 77 ASP CB C 39.829 0.077 1 661 1493 77 ASP N N 122.030 0.084 1 662 1494 78 ILE H H 7.176 0.005 1 663 1494 78 ILE HA H 2.898 0.007 1 664 1494 78 ILE HB H 1.216 0.001 1 665 1494 78 ILE HD1 H 0.588 0.004 1 666 1494 78 ILE CA C 63.545 0.050 1 667 1494 78 ILE CB C 35.778 0.000 1 668 1494 78 ILE CG1 C 27.591 0.000 1 669 1494 78 ILE CG2 C 17.115 0.000 1 670 1494 78 ILE N N 120.464 0.068 1 671 1495 79 GLU H H 8.772 0.006 1 672 1495 79 GLU HB2 H 1.971 0.000 2 673 1495 79 GLU HB3 H 1.971 0.000 2 674 1495 79 GLU HG2 H 2.580 0.000 2 675 1495 79 GLU HG3 H 2.580 0.000 2 676 1495 79 GLU CA C 58.832 0.132 1 677 1495 79 GLU CB C 28.523 0.155 1 678 1495 79 GLU CG C 35.590 0.000 1 679 1495 79 GLU N N 116.597 0.038 1 680 1496 80 LEU H H 8.144 0.007 1 681 1496 80 LEU HA H 4.113 0.003 1 682 1496 80 LEU HB2 H 1.554 0.000 2 683 1496 80 LEU HB3 H 1.554 0.000 2 684 1496 80 LEU HG H 0.915 0.000 1 685 1496 80 LEU HD1 H 0.567 0.000 2 686 1496 80 LEU HD2 H 0.567 0.000 2 687 1496 80 LEU CA C 57.627 0.000 1 688 1496 80 LEU CB C 41.614 0.076 1 689 1496 80 LEU CG C 25.522 0.000 1 690 1496 80 LEU N N 124.151 0.049 1 691 1497 81 MET H H 7.344 0.008 1 692 1497 81 MET HA H 3.396 0.005 1 693 1497 81 MET HB2 H 1.406 0.008 2 694 1497 81 MET HB3 H 1.406 0.008 2 695 1497 81 MET HG2 H 2.121 0.005 2 696 1497 81 MET HG3 H 2.121 0.005 2 697 1497 81 MET CA C 59.878 0.141 1 698 1497 81 MET CG C 31.847 0.000 1 699 1497 81 MET N N 119.426 0.082 1 700 1498 82 PHE H H 7.443 0.007 1 701 1498 82 PHE HA H 3.914 0.004 1 702 1498 82 PHE HB2 H 2.913 0.013 2 703 1498 82 PHE HB3 H 2.913 0.013 2 704 1498 82 PHE CA C 61.868 0.064 1 705 1498 82 PHE CB C 37.312 0.038 1 706 1498 82 PHE N N 118.138 0.034 1 707 1499 83 SER H H 9.046 0.018 1 708 1499 83 SER HA H 4.193 0.000 1 709 1499 83 SER HB2 H 4.031 0.007 2 710 1499 83 SER HB3 H 4.031 0.007 2 711 1499 83 SER CA C 62.146 0.000 1 712 1499 83 SER CB C 62.605 0.000 1 713 1499 83 SER N N 116.930 0.035 1 714 1500 84 ASN H H 8.938 0.009 1 715 1500 84 ASN HA H 4.275 0.000 1 716 1500 84 ASN HB2 H 2.970 0.000 2 717 1500 84 ASN HB3 H 2.527 0.007 2 718 1500 84 ASN CA C 55.115 0.030 1 719 1500 84 ASN CB C 37.480 0.269 1 720 1500 84 ASN N N 119.951 0.072 1 721 1501 85 CYS H H 7.136 0.007 1 722 1501 85 CYS HA H 4.193 0.007 1 723 1501 85 CYS HB2 H 3.112 0.016 2 724 1501 85 CYS HB3 H 3.112 0.016 2 725 1501 85 CYS CA C 61.997 0.124 1 726 1501 85 CYS CB C 26.185 0.082 1 727 1501 85 CYS N N 119.376 0.032 1 728 1502 86 PHE H H 7.830 0.005 1 729 1502 86 PHE HA H 4.986 0.005 1 730 1502 86 PHE HB2 H 3.461 0.005 2 731 1502 86 PHE HB3 H 3.461 0.005 2 732 1502 86 PHE CA C 57.283 0.000 1 733 1502 86 PHE CB C 37.557 0.006 1 734 1502 86 PHE N N 117.223 0.040 1 735 1503 87 GLU H H 8.257 0.010 1 736 1503 87 GLU HA H 4.169 0.008 1 737 1503 87 GLU HB2 H 2.138 0.009 2 738 1503 87 GLU HB3 H 2.040 0.011 2 739 1503 87 GLU HG2 H 2.991 0.000 2 740 1503 87 GLU HG3 H 2.991 0.000 2 741 1503 87 GLU CA C 58.498 0.157 1 742 1503 87 GLU CB C 29.875 0.000 1 743 1503 87 GLU CG C 36.078 0.000 1 744 1503 87 GLU N N 120.075 0.043 1 745 1504 88 TYR H H 8.039 0.006 1 746 1504 88 TYR HA H 4.151 0.004 1 747 1504 88 TYR HB2 H 2.847 0.007 2 748 1504 88 TYR HB3 H 2.847 0.007 2 749 1504 88 TYR CA C 61.630 0.111 1 750 1504 88 TYR CB C 40.709 0.066 1 751 1504 88 TYR N N 116.652 0.087 1 752 1505 89 ASN H H 8.332 0.005 1 753 1505 89 ASN CA C 51.028 0.000 1 754 1505 89 ASN N N 115.611 0.071 1 755 1506 90 PRO HA H 4.441 0.005 1 756 1506 90 PRO HB2 H 2.433 0.014 2 757 1506 90 PRO HB3 H 2.057 0.001 2 758 1506 90 PRO HG2 H 1.808 0.000 2 759 1506 90 PRO HG3 H 1.808 0.000 2 760 1506 90 PRO HD2 H 3.018 0.000 2 761 1506 90 PRO HD3 H 3.018 0.000 2 762 1506 90 PRO CA C 62.663 0.119 1 763 1506 90 PRO CG C 27.745 0.000 1 764 1507 91 ARG H H 8.714 0.007 1 765 1507 91 ARG HA H 3.896 0.001 1 766 1507 91 ARG HB2 H 1.835 0.001 2 767 1507 91 ARG HB3 H 1.835 0.001 2 768 1507 91 ARG HG2 H 1.684 0.006 2 769 1507 91 ARG HG3 H 1.684 0.006 2 770 1507 91 ARG HD2 H 3.135 0.003 2 771 1507 91 ARG HD3 H 3.135 0.003 2 772 1507 91 ARG CA C 58.814 0.056 1 773 1507 91 ARG CB C 30.186 0.063 1 774 1507 91 ARG CG C 26.878 0.000 1 775 1507 91 ARG CD C 43.151 0.000 1 776 1507 91 ARG N N 120.669 0.061 1 777 1508 92 ASN H H 8.455 0.006 1 778 1508 92 ASN HA H 4.683 0.010 1 779 1508 92 ASN HB2 H 2.965 0.007 2 780 1508 92 ASN HB3 H 2.846 0.009 2 781 1508 92 ASN CA C 53.555 0.089 1 782 1508 92 ASN CB C 37.511 0.101 1 783 1508 92 ASN N N 113.863 0.063 1 784 1509 93 THR H H 7.911 0.005 1 785 1509 93 THR HA H 4.842 0.011 1 786 1509 93 THR HB H 4.540 0.008 1 787 1509 93 THR HG2 H 1.486 0.007 1 788 1509 93 THR CA C 61.612 0.080 1 789 1509 93 THR CB C 72.683 0.027 1 790 1509 93 THR CG2 C 23.553 0.000 1 791 1509 93 THR N N 110.537 0.039 1 792 1510 94 SER H H 9.323 0.008 1 793 1510 94 SER HA H 4.199 0.009 1 794 1510 94 SER HB2 H 4.234 0.000 2 795 1510 94 SER HB3 H 4.234 0.000 2 796 1510 94 SER CA C 62.396 0.000 1 797 1510 94 SER CB C 62.620 0.000 1 798 1510 94 SER N N 118.142 0.028 1 799 1511 95 GLU H H 10.465 0.005 1 800 1511 95 GLU HA H 3.391 0.012 1 801 1511 95 GLU HB2 H 1.377 0.000 2 802 1511 95 GLU HB3 H 1.377 0.000 2 803 1511 95 GLU HG2 H 2.062 0.000 2 804 1511 95 GLU HG3 H 2.062 0.000 2 805 1511 95 GLU CA C 61.911 0.076 1 806 1511 95 GLU CG C 37.779 0.000 1 807 1511 95 GLU N N 123.386 0.037 1 808 1512 96 ALA H H 7.561 0.006 1 809 1512 96 ALA HA H 4.133 0.008 1 810 1512 96 ALA CA C 55.652 0.000 1 811 1512 96 ALA CB C 19.233 0.097 1 812 1512 96 ALA N N 120.103 0.054 1 813 1513 97 LYS H H 8.374 0.007 1 814 1513 97 LYS HA H 3.414 0.000 1 815 1513 97 LYS HE2 H 2.922 0.000 2 816 1513 97 LYS HE3 H 2.922 0.000 2 817 1513 97 LYS CA C 60.389 0.052 1 818 1513 97 LYS CB C 32.852 0.000 1 819 1513 97 LYS CG C 19.368 0.000 1 820 1513 97 LYS CD C 25.471 0.000 1 821 1513 97 LYS N N 119.832 0.057 1 822 1514 98 ALA H H 8.195 0.006 1 823 1514 98 ALA HA H 4.117 0.016 1 824 1514 98 ALA HB H 1.513 0.007 1 825 1514 98 ALA CA C 55.634 0.052 1 826 1514 98 ALA CB C 17.686 0.164 1 827 1514 98 ALA N N 122.251 0.085 1 828 1515 99 GLY H H 8.890 0.011 1 829 1515 99 GLY HA2 H 4.029 0.010 2 830 1515 99 GLY HA3 H 4.029 0.010 2 831 1515 99 GLY CA C 48.382 0.132 1 832 1515 99 GLY N N 104.8 0.020 1 833 1516 100 THR H H 8.793 0.008 1 834 1516 100 THR HA H 4.345 0.008 1 835 1516 100 THR HB H 3.969 0.005 1 836 1516 100 THR HG2 H 1.213 0.005 1 837 1516 100 THR CA C 67.359 0.034 1 838 1516 100 THR CB C 68.910 0.000 1 839 1516 100 THR CG2 C 21.337 0.000 1 840 1516 100 THR N N 118.260 0.066 1 841 1517 101 ARG H H 7.517 0.006 1 842 1517 101 ARG HA H 4.165 0.013 1 843 1517 101 ARG HB2 H 1.780 0.008 2 844 1517 101 ARG HB3 H 1.780 0.008 2 845 1517 101 ARG HG2 H 1.519 0.000 2 846 1517 101 ARG HG3 H 1.519 0.000 2 847 1517 101 ARG HD2 H 2.283 0.000 2 848 1517 101 ARG HD3 H 2.283 0.000 2 849 1517 101 ARG CA C 60.226 0.002 1 850 1517 101 ARG CB C 32.004 0.000 1 851 1517 101 ARG N N 121.690 0.041 1 852 1518 102 LEU H H 9.194 0.005 1 853 1518 102 LEU HA H 3.742 0.001 1 854 1518 102 LEU HB2 H 1.514 0.000 2 855 1518 102 LEU HB3 H 1.514 0.000 2 856 1518 102 LEU HG H 0.954 0.002 1 857 1518 102 LEU HD1 H 0.675 0.021 2 858 1518 102 LEU HD2 H 0.514 0.009 2 859 1518 102 LEU CA C 57.184 0.000 1 860 1518 102 LEU N N 123.264 0.042 1 861 1519 103 GLN H H 8.394 0.004 1 862 1519 103 GLN HA H 2.993 0.011 1 863 1519 103 GLN HG2 H 1.624 0.000 2 864 1519 103 GLN HG3 H 1.464 0.000 2 865 1519 103 GLN CA C 59.305 0.067 1 866 1519 103 GLN CB C 27.714 0.000 1 867 1519 103 GLN CG C 34.549 0.000 1 868 1519 103 GLN N N 120.542 0.038 1 869 1520 104 ALA H H 7.277 0.012 1 870 1520 104 ALA HA H 4.052 0.010 1 871 1520 104 ALA HB H 1.518 0.002 1 872 1520 104 ALA CA C 55.225 0.068 1 873 1520 104 ALA CB C 17.826 0.088 1 874 1520 104 ALA N N 121.529 0.122 1 875 1521 105 PHE H H 7.699 0.005 1 876 1521 105 PHE HA H 4.313 0.005 1 877 1521 105 PHE HB2 H 3.246 0.012 2 878 1521 105 PHE HB3 H 3.246 0.012 2 879 1521 105 PHE CA C 61.225 0.023 1 880 1521 105 PHE CB C 38.892 0.036 1 881 1521 105 PHE N N 119.585 0.061 1 882 1522 106 PHE H H 9.079 0.006 1 883 1522 106 PHE HA H 3.949 0.000 1 884 1522 106 PHE HB2 H 3.277 0.000 2 885 1522 106 PHE HB3 H 3.277 0.000 2 886 1522 106 PHE CA C 60.340 0.048 1 887 1522 106 PHE CB C 38.322 0.031 1 888 1522 106 PHE N N 120.529 0.042 1 889 1523 107 HIS H H 8.224 0.007 1 890 1523 107 HIS HA H 3.772 0.000 1 891 1523 107 HIS HB2 H 3.188 0.013 2 892 1523 107 HIS HB3 H 2.966 0.001 2 893 1523 107 HIS CA C 58.550 0.071 1 894 1523 107 HIS CB C 29.309 0.032 1 895 1523 107 HIS N N 117.177 0.113 1 896 1524 108 ILE H H 7.543 0.006 1 897 1524 108 ILE HA H 3.702 0.006 1 898 1524 108 ILE HG12 H 1.179 0.000 2 899 1524 108 ILE HG13 H 1.179 0.000 2 900 1524 108 ILE HG2 H 0.881 0.000 1 901 1524 108 ILE HD1 H 0.881 0.000 1 902 1524 108 ILE CA C 64.630 0.127 1 903 1524 108 ILE CB C 38.260 0.197 1 904 1524 108 ILE CG2 C 17.349 0.000 1 905 1524 108 ILE N N 119.869 0.090 1 906 1525 109 GLN H H 8.393 0.007 1 907 1525 109 GLN HA H 3.731 0.010 1 908 1525 109 GLN HB2 H 1.836 0.005 2 909 1525 109 GLN HB3 H 1.444 0.001 2 910 1525 109 GLN HG2 H 2.433 0.000 2 911 1525 109 GLN HG3 H 2.433 0.000 2 912 1525 109 GLN CA C 57.859 0.012 1 913 1525 109 GLN CB C 28.491 0.019 1 914 1525 109 GLN CG C 33.211 0.000 1 915 1525 109 GLN N N 119.598 0.104 1 916 1526 110 ALA H H 8.962 0.008 1 917 1526 110 ALA HA H 3.769 0.000 1 918 1526 110 ALA HB H 0.915 0.012 1 919 1526 110 ALA CA C 55.422 0.079 1 920 1526 110 ALA CB C 17.594 0.082 1 921 1526 110 ALA N N 120.491 0.067 1 922 1527 111 GLN H H 7.308 0.006 1 923 1527 111 GLN HA H 4.117 0.008 1 924 1527 111 GLN HB2 H 2.104 0.009 2 925 1527 111 GLN HB3 H 2.104 0.009 2 926 1527 111 GLN HG2 H 2.452 0.003 2 927 1527 111 GLN HG3 H 2.270 0.000 2 928 1527 111 GLN CA C 58.962 0.103 1 929 1527 111 GLN CB C 28.431 0.119 1 930 1527 111 GLN CG C 34.139 0.000 1 931 1527 111 GLN N N 116.542 0.022 1 932 1528 112 LYS H H 7.774 0.007 1 933 1528 112 LYS HA H 3.987 0.007 1 934 1528 112 LYS HB2 H 1.881 0.006 2 935 1528 112 LYS HB3 H 1.881 0.006 2 936 1528 112 LYS HG2 H 1.378 0.010 2 937 1528 112 LYS HG3 H 1.378 0.010 2 938 1528 112 LYS HD2 H 1.582 0.008 2 939 1528 112 LYS HD3 H 1.582 0.008 2 940 1528 112 LYS HE2 H 2.895 0.000 2 941 1528 112 LYS HE3 H 2.895 0.000 2 942 1528 112 LYS CA C 59.531 0.076 1 943 1528 112 LYS CB C 32.399 0.041 1 944 1528 112 LYS CG C 25.392 0.000 1 945 1528 112 LYS CD C 29.739 0.000 1 946 1528 112 LYS CE C 42.071 0.000 1 947 1528 112 LYS N N 121.310 0.039 1 948 1529 113 LEU H H 7.443 0.007 1 949 1529 113 LEU HA H 4.304 0.006 1 950 1529 113 LEU HB2 H 1.688 0.010 2 951 1529 113 LEU HB3 H 1.688 0.010 2 952 1529 113 LEU HD1 H 0.866 0.005 2 953 1529 113 LEU HD2 H 0.866 0.005 2 954 1529 113 LEU CA C 54.749 0.009 1 955 1529 113 LEU CB C 42.649 0.106 1 956 1529 113 LEU CG C 26.259 0.000 1 957 1529 113 LEU CD1 C 22.514 0.000 2 958 1529 113 LEU CD2 C 22.514 0.000 2 959 1529 113 LEU N N 116.785 0.050 1 960 1530 114 GLY H H 7.721 0.004 1 961 1530 114 GLY HA2 H 3.754 0.004 2 962 1530 114 GLY HA3 H 3.754 0.004 2 963 1530 114 GLY CA C 45.654 0.241 1 964 1530 114 GLY N N 107.052 0.055 1 965 1531 115 LEU H H 7.914 0.007 1 966 1531 115 LEU HA H 4.328 0.008 1 967 1531 115 LEU HB2 H 1.529 0.000 2 968 1531 115 LEU HB3 H 1.529 0.000 2 969 1531 115 LEU HG H 0.881 0.007 1 970 1531 115 LEU HD1 H 0.625 0.056 2 971 1531 115 LEU HD2 H 0.625 0.056 2 972 1531 115 LEU CA C 54.409 0.037 1 973 1531 115 LEU CB C 42.144 0.056 1 974 1531 115 LEU CG C 26.956 0.000 1 975 1531 115 LEU CD1 C 26.365 0.000 2 976 1531 115 LEU CD2 C 24.118 0.000 2 977 1531 115 LEU N N 119.632 0.045 1 978 1532 116 HIS H H 8.585 0.015 1 979 1532 116 HIS HA H 4.568 0.008 1 980 1532 116 HIS HB2 H 2.958 0.012 2 981 1532 116 HIS HB3 H 2.958 0.012 2 982 1532 116 HIS CA C 55.644 0.062 1 983 1532 116 HIS CB C 30.174 0.067 1 984 1532 116 HIS N N 120.502 0.063 1 985 1533 117 VAL H H 7.776 0.010 1 986 1533 117 VAL HA H 4.157 0.006 1 987 1533 117 VAL HB H 1.808 0.005 1 988 1533 117 VAL HG1 H 0.600 0.010 2 989 1533 117 VAL HG2 H 0.600 0.010 2 990 1533 117 VAL CA C 60.585 0.035 1 991 1533 117 VAL CB C 33.274 0.121 1 992 1533 117 VAL CG1 C 21.696 0.000 2 993 1533 117 VAL CG2 C 19.842 0.000 2 994 1533 117 VAL N N 120.526 0.077 1 995 1534 118 SER H H 8.701 0.006 1 996 1534 118 SER CA C 56.306 0.000 1 997 1534 118 SER CB C 63.321 0.000 1 998 1534 118 SER N N 120.458 0.048 1 999 1535 119 PRO HA H 4.335 0.004 1 1000 1535 119 PRO HB2 H 2.212 0.012 2 1001 1535 119 PRO HB3 H 1.869 0.007 2 1002 1535 119 PRO HG2 H 1.343 0.000 2 1003 1535 119 PRO HG3 H 1.343 0.000 2 1004 1535 119 PRO HD2 H 3.690 0.025 2 1005 1535 119 PRO HD3 H 3.690 0.025 2 1006 1535 119 PRO CA C 63.164 0.059 1 1007 1535 119 PRO CB C 32.126 0.051 1 1008 1535 119 PRO CG C 27.302 0.000 1 1009 1535 119 PRO CD C 50.694 0.000 1 1010 1536 120 SER H H 8.478 0.005 1 1011 1536 120 SER HA H 4.429 0.011 1 1012 1536 120 SER HB2 H 3.829 0.007 2 1013 1536 120 SER HB3 H 3.829 0.007 2 1014 1536 120 SER CA C 58.406 0.099 1 1015 1536 120 SER CB C 63.930 0.054 1 1016 1536 120 SER N N 116.192 0.041 1 1017 1537 121 THR H H 8.234 0.006 1 1018 1537 121 THR HA H 4.289 0.014 1 1019 1537 121 THR HB H 3.912 0.000 1 1020 1537 121 THR HG2 H 1.135 0.004 1 1021 1537 121 THR CA C 62.199 0.099 1 1022 1537 121 THR CB C 69.504 0.018 1 1023 1537 121 THR CG2 C 21.861 0.000 1 1024 1537 121 THR N N 116.091 0.013 1 1025 1538 122 VAL H H 7.981 0.010 1 1026 1538 122 VAL HA H 4.008 0.005 1 1027 1538 122 VAL HB H 1.965 0.006 1 1028 1538 122 VAL HG1 H 0.831 0.004 2 1029 1538 122 VAL HG2 H 0.831 0.004 2 1030 1538 122 VAL CA C 62.610 0.116 1 1031 1538 122 VAL CB C 32.715 0.156 1 1032 1538 122 VAL CG1 C 21.279 0.000 2 1033 1538 122 VAL CG2 C 21.279 0.000 2 1034 1538 122 VAL N N 121.717 0.036 1 1035 1539 123 ASP H H 8.323 0.008 1 1036 1539 123 ASP HA H 4.566 0.005 1 1037 1539 123 ASP HB2 H 2.679 0.001 2 1038 1539 123 ASP HB3 H 2.604 0.000 2 1039 1539 123 ASP CA C 54.314 0.086 1 1040 1539 123 ASP CB C 41.100 0.034 1 1041 1539 123 ASP N N 123.809 0.013 1 stop_ save_