data_7131 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of IGF2R domain 11 ; _BMRB_accession_number 7131 _BMRB_flat_file_name bmr7131.str _Entry_type original _Submission_date 2006-05-24 _Accession_date 2006-05-24 _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 Williams Christopher . . 2 Crump Matthew P . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 761 "13C chemical shifts" 595 "15N chemical shifts" 147 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-08-13 original author . stop_ _Original_release_date 2008-08-13 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structural insights into the interaction of insulin-like growth factor 2 with IGF2R domain 11.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 17850746 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Williams Christopher . . 2 Rezgui Dellel . . 3 Prince Stuart N. . 4 Zaccheo Oliver J. . 5 Foulstone Emily J. . 6 Forbes Briony E. . 7 Norton Raymond S. . 8 Crosby John . . 9 Hassan A. Bassim . 10 Crump Matthew P. . stop_ _Journal_abbreviation Structure _Journal_volume 15 _Journal_issue 9 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1065 _Page_last 1078 _Year 2007 _Details . loop_ _Keyword cancer IGF2R IGF-II stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'IGF2R domain 11' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'domian 11' $domain_11_polypeptide stop_ _System_molecular_weight 16627 _System_physical_state native _System_oligomer_state protein _System_paramagnetic no _System_thiol_state 'all disulfide bound' loop_ _Biological_function 'domain of multi-domain mannose-6-phosphate receptor' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_domain_11_polypeptide _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'domain 11' _Molecular_mass . _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 151 _Mol_residue_sequence ; MKSNEHDDCQVTNPSTGHLF DLSSLSGRAGFTAAYSEKGL VYMSICGENENCPPGVGACF GQTRISVGKANKRLRYVDQV LQLVYKDGSPCPSKSGLSYK SVISFVCRPEAGPTNRPMLI SLDKQTCTLFFSWHTPLACE QATEKHHHHHH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1508 MET 2 1509 LYS 3 1510 SER 4 1511 ASN 5 1512 GLU 6 1513 HIS 7 1514 ASP 8 1515 ASP 9 1516 CYS 10 1517 GLN 11 1518 VAL 12 1519 THR 13 1520 ASN 14 1521 PRO 15 1522 SER 16 1523 THR 17 1524 GLY 18 1525 HIS 19 1526 LEU 20 1527 PHE 21 1528 ASP 22 1529 LEU 23 1530 SER 24 1531 SER 25 1532 LEU 26 1533 SER 27 1534 GLY 28 1535 ARG 29 1536 ALA 30 1537 GLY 31 1538 PHE 32 1539 THR 33 1540 ALA 34 1541 ALA 35 1542 TYR 36 1543 SER 37 1544 GLU 38 1545 LYS 39 1546 GLY 40 1547 LEU 41 1548 VAL 42 1549 TYR 43 1550 MET 44 1551 SER 45 1552 ILE 46 1553 CYS 47 1554 GLY 48 1555 GLU 49 1556 ASN 50 1557 GLU 51 1558 ASN 52 1559 CYS 53 1560 PRO 54 1561 PRO 55 1562 GLY 56 1563 VAL 57 1564 GLY 58 1565 ALA 59 1566 CYS 60 1567 PHE 61 1568 GLY 62 1569 GLN 63 1570 THR 64 1571 ARG 65 1572 ILE 66 1573 SER 67 1574 VAL 68 1575 GLY 69 1576 LYS 70 1577 ALA 71 1578 ASN 72 1579 LYS 73 1580 ARG 74 1581 LEU 75 1582 ARG 76 1583 TYR 77 1584 VAL 78 1585 ASP 79 1586 GLN 80 1587 VAL 81 1588 LEU 82 1589 GLN 83 1590 LEU 84 1591 VAL 85 1592 TYR 86 1593 LYS 87 1594 ASP 88 1595 GLY 89 1596 SER 90 1597 PRO 91 1598 CYS 92 1599 PRO 93 1600 SER 94 1601 LYS 95 1602 SER 96 1603 GLY 97 1604 LEU 98 1605 SER 99 1606 TYR 100 1607 LYS 101 1608 SER 102 1609 VAL 103 1610 ILE 104 1611 SER 105 1612 PHE 106 1613 VAL 107 1614 CYS 108 1615 ARG 109 1616 PRO 110 1617 GLU 111 1618 ALA 112 1619 GLY 113 1620 PRO 114 1621 THR 115 1622 ASN 116 1623 ARG 117 1624 PRO 118 1625 MET 119 1626 LEU 120 1627 ILE 121 1628 SER 122 1629 LEU 123 1630 ASP 124 1631 LYS 125 1632 GLN 126 1633 THR 127 1634 CYS 128 1635 THR 129 1636 LEU 130 1637 PHE 131 1638 PHE 132 1639 SER 133 1640 TRP 134 1641 HIS 135 1642 THR 136 1643 PRO 137 1644 LEU 138 1645 ALA 139 1646 CYS 140 1647 GLU 141 1648 GLN 142 1649 ALA 143 1650 THR 144 1651 GLU 145 1652 LYS 146 1653 HIS 147 1654 HIS 148 1655 HIS 149 1656 HIS 150 1657 HIS 151 1658 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 17127 HD11 92.72 142 97.86 99.29 1.80e-97 BMRB 17128 domain_11 92.72 142 97.86 99.29 1.80e-97 PDB 1E6F "Human Mir-Receptor, Repeat 11" 94.70 143 100.00 100.00 1.09e-101 PDB 1GP0 "Human Igf2r Domain 11" 94.70 143 100.00 100.00 1.09e-101 PDB 1GP3 "Human Igf2r Domain 11" 94.70 143 100.00 100.00 1.09e-101 PDB 1GQB "Human Mir-Receptor, Repeat 11" 94.70 143 100.00 100.00 1.09e-101 PDB 2CNJ "Nmr Studies On The Interaction Of Insulin-Growth Factor Ii ( Igf-Ii) With Igf2r Domain 11" 100.00 151 98.68 100.00 1.82e-107 PDB 2L29 "Complex Structure Of E4 Mutant Human Igf2r Domain 11 Bound To Igf-Ii" 92.72 142 97.86 99.29 1.80e-97 PDB 2L2A "Mutated Domain 11 Of The Cytoplasmic Region Of The Cation-Independent Mannose-6-Phosphate Receptor" 92.72 142 97.86 99.29 1.80e-97 PDB 2V5N "Structure Of Human Igf2r Domains 11-12" 94.70 299 98.60 98.60 2.82e-96 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $domain_11_polypeptide Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name _Vendor_name $domain_11_polypeptide 'recombinant technology' 'Escherichia coli' Escherihia coli BL21(DE3) pET22b . novagen stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 600ul loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $domain_11_polypeptide 1 mM 0.5 1.5 '[U-95% 13C; U-95% 15N]' NaOAc 20 mM . . . EDTA 1 mM . . . benzamidine 1 mM . . . NaN3 100 uM . . . NaN3 5 % . . . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details 600ul loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $domain_11_polypeptide 1 mM 0.5 1.5 '[U-95% 15N]' NaOAc 20 mM . . . EDTA 1 mM . . . benzamidine 1 mM . . . NaN3 100 uM . . . NaN3 5 % . . . stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details 600ul loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $domain_11_polypeptide 1 mM 0.5 1.5 '[U-99% 12C; U-99% 14N]' NaOAc 20 mM . . . EDTA 1 mM . . . benzamidine 1 mM . . . NaN3 100 uM . . . NaN3 5 % . . . stop_ save_ ############################ # Computer software used # ############################ save_CNS _Saveframe_category software _Name CNS _Version 1.2 loop_ _Task 'structure calculation' stop_ _Details . save_ save_NMRPipe_NMRDraw _Saveframe_category software _Name NMRPipe_NMRDraw _Version . loop_ _Task 'data processing' stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3.12 loop_ _Task assignment stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name 1H15N_HSQC _Sample_label $sample_1 save_ save_CBCACONH_2 _Saveframe_category NMR_applied_experiment _Experiment_name CBCACONH _Sample_label . save_ save_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label . save_ save_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_HNCACO_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACO _Sample_label . save_ save_HNCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label . save_ save_HNCOCA_7 _Saveframe_category NMR_applied_experiment _Experiment_name HNCOCA _Sample_label . save_ save_HNHA_8 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _Sample_label . save_ save_HCCH-TCOSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TCOSY _Sample_label . save_ save_15N_HSQC-NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '15N HSQC-NOESY' _Sample_label . save_ save_15N_HSQC-TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '15N HSQC-TOCSY' _Sample_label . save_ save_1H-1H_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-1H NOESY' _Sample_label . save_ save_1H-1H_TOCSY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-1H TOCSY' _Sample_label . save_ save_13C/15N_NOESY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '13C/15N NOESY' _Sample_label . save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details '20mM NaOAc, 1mM EDTA, 1mM benzamidine, 100μM NaN3 and 5% D2O, pH5.5' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5.5 0.1 pH temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 $entry_citation $entry_citation DSS H 1 'methyl protons' ppm 0 external indirect . . . 1.0 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 $entry_citation $entry_citation 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_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $CNS stop_ loop_ _Experiment_label 1H15N_HSQC stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name 'domian 11' _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 1508 1 MET CA C 58.853 0 1 2 1508 1 MET CB C 29.975 0 1 3 1509 2 LYS H H 9.14 0 1 4 1509 2 LYS HA H 4.508 0 1 5 1509 2 LYS HB2 H 1.859 0 2 6 1509 2 LYS HB3 H 1.925 0 2 7 1509 2 LYS HG2 H 1.536 0 1 8 1509 2 LYS HG3 H 1.536 0 1 9 1509 2 LYS HD2 H 1.767 0 1 10 1509 2 LYS HD3 H 1.767 0 1 11 1509 2 LYS HE2 H 3.085 0 1 12 1509 2 LYS HE3 H 3.085 0 1 13 1509 2 LYS C C 177.013 0 1 14 1509 2 LYS CA C 56.585 0 1 15 1509 2 LYS CB C 33.358 0 1 16 1509 2 LYS CG C 24.663 0 1 17 1509 2 LYS CD C 29.092 0 1 18 1509 2 LYS CE C 40.359 0 1 19 1509 2 LYS N N 111.044 0 1 20 1510 3 SER H H 8.66 0 1 21 1510 3 SER HA H 4.672 0 1 22 1510 3 SER HB2 H 3.925 0 2 23 1510 3 SER HB3 H 4.003 0 2 24 1510 3 SER C C 174.798 0 1 25 1510 3 SER CA C 58.279 0 1 26 1510 3 SER CB C 64.198 0 1 27 1510 3 SER N N 118.196 0 1 28 1511 4 ASN H H 8.71 0 1 29 1511 4 ASN HA H 4.905 0 1 30 1511 4 ASN HB2 H 2.879 0 2 31 1511 4 ASN HB3 H 2.915 0 2 32 1511 4 ASN C C 175.568 0 1 33 1511 4 ASN CA C 53.053 0 1 34 1511 4 ASN CB C 39.438 0 1 35 1511 4 ASN N N 120.587 0 1 36 1512 5 GLU H H 8.33 0 1 37 1512 5 GLU HA H 4.602 0 1 38 1512 5 GLU HB2 H 1.944 0 2 39 1512 5 GLU HB3 H 2.013 0 2 40 1512 5 GLU HG2 H 2.228 0 1 41 1512 5 GLU HG3 H 2.228 0 1 42 1512 5 GLU C C 176.612 0 1 43 1512 5 GLU CA C 56.526 0 1 44 1512 5 GLU CB C 31.129 0 1 45 1512 5 GLU CG C 36.464 0 1 46 1512 5 GLU N N 121.256 0 1 47 1513 6 HIS H H 8.675 0 1 48 1513 6 HIS HA H 4.737 0 1 49 1513 6 HIS HB2 H 3.288 0 2 50 1513 6 HIS HB3 H 3.666 0 2 51 1513 6 HIS C C 175.1 0 1 52 1513 6 HIS CA C 55.487 0 1 53 1513 6 HIS CB C 29.791 0 1 54 1513 6 HIS N N 120.154 0 1 55 1514 7 ASP H H 8.378 0 1 56 1514 7 ASP HA H 4.907 0 1 57 1514 7 ASP HB2 H 2.582 0 2 58 1514 7 ASP HB3 H 2.782 0 2 59 1514 7 ASP C C 176.783 0 1 60 1514 7 ASP CA C 53.85 0 1 61 1514 7 ASP CB C 41.403 0 1 62 1514 7 ASP N N 122.22 0 1 63 1515 8 ASP H H 8.659 0 1 64 1515 8 ASP HA H 4.605 0 1 65 1515 8 ASP HB2 H 2.777 0 1 66 1515 8 ASP HB3 H 2.777 0 1 67 1515 8 ASP C C 176.189 0 1 68 1515 8 ASP CA C 54.728 0 1 69 1515 8 ASP CB C 40.742 0 1 70 1515 8 ASP N N 118.365 0 1 71 1516 9 CYS H H 9.691 0 1 72 1516 9 CYS HA H 4.119 0 1 73 1516 9 CYS HB2 H 2.747 0 2 74 1516 9 CYS HB3 H 3.579 0 2 75 1516 9 CYS C C 172.764 0 1 76 1516 9 CYS CA C 58.164 0 1 77 1516 9 CYS CB C 41.332 0 1 78 1516 9 CYS N N 123.544 0 1 79 1517 10 GLN H H 7.839 0 1 80 1517 10 GLN HA H 5.455 0 1 81 1517 10 GLN HB2 H 1.959 0 1 82 1517 10 GLN HB3 H 1.959 0 1 83 1517 10 GLN HG2 H 2.197 0 2 84 1517 10 GLN HG3 H 2.33 0 2 85 1517 10 GLN C C 174.807 0 1 86 1517 10 GLN CA C 54.265 0 1 87 1517 10 GLN CB C 33.316 0 1 88 1517 10 GLN CG C 33.213 0 1 89 1517 10 GLN N N 113.98 0 1 90 1518 11 VAL H H 8.766 0 1 91 1518 11 VAL HA H 4.5 0 1 92 1518 11 VAL HB H 2.288 0 1 93 1518 11 VAL HG1 H 0.772 0 2 94 1518 11 VAL HG2 H 1.336 0 2 95 1518 11 VAL C C 172.789 0 1 96 1518 11 VAL CA C 61.413 0 1 97 1518 11 VAL CB C 33.901 0 1 98 1518 11 VAL CG1 C 20.294 0 2 99 1518 11 VAL CG2 C 22.939 0 2 100 1518 11 VAL N N 118.676 0 1 101 1519 12 THR H H 7.94 0 1 102 1519 12 THR HA H 5.579 0 1 103 1519 12 THR HB H 3.736 0 1 104 1519 12 THR HG2 H 0.912 0 1 105 1519 12 THR C C 176.101 0 1 106 1519 12 THR CA C 60.028 0 1 107 1519 12 THR CB C 70.727 0 1 108 1519 12 THR CG2 C 21.914 0 1 109 1519 12 THR N N 119.128 0 1 110 1520 13 ASN H H 8.272 0 1 111 1520 13 ASN HA H 4.23 0 1 112 1520 13 ASN HB2 H 2.479 0 2 113 1520 13 ASN HB3 H 3.255 0 2 114 1520 13 ASN C C 175.846 0 1 115 1520 13 ASN CA C 49.959 0 1 116 1520 13 ASN CB C 38.898 0 1 117 1520 13 ASN N N 120.876 0 1 118 1521 14 PRO HA H 4.369 0 1 119 1521 14 PRO HB2 H 2.392 0 1 120 1521 14 PRO HB3 H 2.392 0 1 121 1521 14 PRO HG2 H 2.178 0 2 122 1521 14 PRO HG3 H 2.104 0 2 123 1521 14 PRO HD2 H 3.82 0 2 124 1521 14 PRO HD3 H 4.173 0 2 125 1521 14 PRO C C 179.085 0 1 126 1521 14 PRO CA C 64.293 0 1 127 1521 14 PRO CB C 32.256 0 1 128 1521 14 PRO CG C 27.204 0 1 129 1521 14 PRO CD C 51.857 0 1 130 1522 15 SER H H 8.045 0 1 131 1522 15 SER HA H 4.483 0 1 132 1522 15 SER HB2 H 4.008 0 1 133 1522 15 SER HB3 H 4.008 0 1 134 1522 15 SER C C 175.998 0 1 135 1522 15 SER CA C 60.698 0 1 136 1522 15 SER CB C 63.401 0 1 137 1522 15 SER N N 111.698 0 1 138 1523 16 THR H H 6.813 0 1 139 1523 16 THR HA H 4.556 0 1 140 1523 16 THR HB H 4.35 0 1 141 1523 16 THR HG2 H 1.139 0 1 142 1523 16 THR C C 177.154 0 1 143 1523 16 THR CA C 61.1 0 1 144 1523 16 THR CB C 71.064 0 1 145 1523 16 THR CG2 C 21.364 0 1 146 1523 16 THR N N 106.691 0 1 147 1524 17 GLY H H 8.726 0 1 148 1524 17 GLY HA2 H 3.576 0 2 149 1524 17 GLY HA3 H 4.224 0 2 150 1524 17 GLY C C 174.435 0 1 151 1524 17 GLY CA C 45.336 0 1 152 1524 17 GLY N N 111.831 0 1 153 1525 18 HIS H H 7.856 0 1 154 1525 18 HIS HA H 4.014 0 1 155 1525 18 HIS HB2 H 3.001 0 2 156 1525 18 HIS HB3 H 2.574 0 2 157 1525 18 HIS C C 173.556 0 1 158 1525 18 HIS CA C 57.01 0 1 159 1525 18 HIS CB C 29.459 0 1 160 1525 18 HIS N N 119.58 0 1 161 1526 19 LEU H H 7.837 0 1 162 1526 19 LEU HA H 4.265 0 1 163 1526 19 LEU HB2 H 1.207 0 2 164 1526 19 LEU HB3 H 1.531 0 2 165 1526 19 LEU HG H 1.127 0 1 166 1526 19 LEU HD1 H 0.746 0 2 167 1526 19 LEU HD2 H 0.689 0 2 168 1526 19 LEU C C 175.74 0 1 169 1526 19 LEU CA C 54.454 0 1 170 1526 19 LEU CB C 43.301 0 1 171 1526 19 LEU CG C 27.038 0 1 172 1526 19 LEU CD1 C 25.406 0 2 173 1526 19 LEU CD2 C 24.1 0 2 174 1526 19 LEU N N 129.141 0 1 175 1527 20 PHE H H 9.293 0 1 176 1527 20 PHE HA H 4.754 0 1 177 1527 20 PHE HB2 H 2.715 0 1 178 1527 20 PHE HB3 H 2.715 0 1 179 1527 20 PHE HD1 H 7.513 0 1 180 1527 20 PHE HD2 H 7.513 0 1 181 1527 20 PHE HE1 H 6.962 0 1 182 1527 20 PHE HE2 H 6.962 0 1 183 1527 20 PHE HZ H 7.41 0 1 184 1527 20 PHE C C 175.154 0 1 185 1527 20 PHE CA C 57.135 0 1 186 1527 20 PHE CB C 40.504 0 1 187 1527 20 PHE CD1 C 132.852 0 1 188 1527 20 PHE CD2 C 132.852 0 1 189 1527 20 PHE CE1 C 130.758 0 1 190 1527 20 PHE CE2 C 130.758 0 1 191 1527 20 PHE CZ C 129.72 0 1 192 1527 20 PHE N N 126.823 0 1 193 1528 21 ASP H H 8.49 0 1 194 1528 21 ASP HA H 5.085 0 1 195 1528 21 ASP HB2 H 2.911 0 2 196 1528 21 ASP HB3 H 2.336 0 2 197 1528 21 ASP C C 177.253 0 1 198 1528 21 ASP CA C 52.892 0 1 199 1528 21 ASP CB C 42.689 0 1 200 1528 21 ASP N N 121.003 0 1 201 1529 22 LEU H H 8.375 0 1 202 1529 22 LEU HA H 4.419 0 1 203 1529 22 LEU HB2 H 1.293 0 2 204 1529 22 LEU HB3 H 1.423 0 2 205 1529 22 LEU HG H 0.994 0 1 206 1529 22 LEU HD1 H -0.295 0 2 207 1529 22 LEU HD2 H -0.01 0 2 208 1529 22 LEU C C 177.999 0 1 209 1529 22 LEU CA C 54.006 0 1 210 1529 22 LEU CB C 40.737 0 1 211 1529 22 LEU CG C 27.054 0 1 212 1529 22 LEU CD1 C 24.473 0 2 213 1529 22 LEU CD2 C 22.63 0 2 214 1529 22 LEU N N 126.742 0 1 215 1530 23 SER H H 9.028 0 1 216 1530 23 SER HA H 3.988 0 1 217 1530 23 SER HB2 H 4.083 0 1 218 1530 23 SER HB3 H 4.083 0 1 219 1530 23 SER C C 178.5 0 1 220 1530 23 SER CA C 62.991 0 1 221 1530 23 SER CB C 62.423 0 1 222 1530 23 SER N N 117.402 0 1 223 1531 24 SER H H 8.94 0 1 224 1531 24 SER HA H 4.33 0 1 225 1531 24 SER HB2 H 3.934 0 2 226 1531 24 SER HB3 H 4.04 0 2 227 1531 24 SER C C 176.59 0 1 228 1531 24 SER CA C 61.14 0 1 229 1531 24 SER CB C 62.22 0 1 230 1531 24 SER N N 119.194 0 1 231 1532 25 LEU H H 8.028 0 1 232 1532 25 LEU HA H 4.763 0 1 233 1532 25 LEU HB2 H 1.628 0 2 234 1532 25 LEU HB3 H 1.713 0 2 235 1532 25 LEU HG H 1.308 0 1 236 1532 25 LEU HD1 H 0.06 0 2 237 1532 25 LEU HD2 H 0.776 0 2 238 1532 25 LEU C C 178.104 0 1 239 1532 25 LEU CA C 54.688 0 1 240 1532 25 LEU CB C 42.034 0 1 241 1532 25 LEU CG C 26.354 0 1 242 1532 25 LEU CD1 C 25.074 0 2 243 1532 25 LEU CD2 C 21.336 0 2 244 1532 25 LEU N N 121.084 0 1 245 1533 26 SER H H 7.729 0 1 246 1533 26 SER HA H 4.948 0 1 247 1533 26 SER HB2 H 4.003 0 2 248 1533 26 SER HB3 H 4.213 0 2 249 1533 26 SER C C 174.886 0 1 250 1533 26 SER CA C 59.388 0 1 251 1533 26 SER CB C 64.887 0 1 252 1533 26 SER N N 115.127 0 1 253 1534 27 GLY H H 9.154 0 1 254 1534 27 GLY HA2 H 3.875 0 2 255 1534 27 GLY HA3 H 4.836 0 2 256 1534 27 GLY C C 174.886 0 1 257 1534 27 GLY CA C 44.827 0 1 258 1534 27 GLY N N 111.017 0 1 259 1535 28 ARG H H 8.821 0 1 260 1535 28 ARG HA H 4.632 0 1 261 1535 28 ARG HB2 H 1.8 0 1 262 1535 28 ARG HB3 H 1.8 0 1 263 1535 28 ARG HG2 H 1.652 0 1 264 1535 28 ARG HG3 H 1.652 0 1 265 1535 28 ARG HD2 H 3.223 0 2 266 1535 28 ARG HD3 H 3.364 0 2 267 1535 28 ARG HE H 7.885 0 1 268 1535 28 ARG C C 176.619 0 1 269 1535 28 ARG CA C 58.437 0 1 270 1535 28 ARG CB C 31.178 0 1 271 1535 28 ARG CG C 28.775 0 1 272 1535 28 ARG CD C 36.05 0 1 273 1535 28 ARG CZ C 160.51 0 1 274 1535 28 ARG N N 124.133 0 1 275 1535 28 ARG NE N 84.024 0 1 276 1536 29 ALA H H 8.412 0 1 277 1536 29 ALA HA H 4.063 0 1 278 1536 29 ALA HB H 1.366 0 1 279 1536 29 ALA C C 180.989 0 1 280 1536 29 ALA CA C 54.796 0 1 281 1536 29 ALA CB C 18.059 0 1 282 1536 29 ALA N N 123.083 0 1 283 1537 30 GLY H H 8.412 0 1 284 1537 30 GLY HA2 H 3.922 0 1 285 1537 30 GLY HA3 H 3.922 0 1 286 1537 30 GLY C C 173.713 0 1 287 1537 30 GLY CA C 46.732 0 1 288 1537 30 GLY N N 102.764 0 1 289 1538 31 PHE H H 9.363 0 1 290 1538 31 PHE HA H 5.026 0 1 291 1538 31 PHE HB2 H 2.521 0 2 292 1538 31 PHE HB3 H 3.267 0 2 293 1538 31 PHE HD1 H 7.455 0 1 294 1538 31 PHE HD2 H 7.455 0 1 295 1538 31 PHE HE1 H 7.929 0 1 296 1538 31 PHE HE2 H 7.929 0 1 297 1538 31 PHE HZ H 7.706 0 1 298 1538 31 PHE C C 176.338 0 1 299 1538 31 PHE CA C 57.048 0 1 300 1538 31 PHE CB C 44.535 0 1 301 1538 31 PHE CD1 C 132.299 0 1 302 1538 31 PHE CD2 C 132.299 0 1 303 1538 31 PHE CE1 C 132.055 0 1 304 1538 31 PHE CE2 C 132.055 0 1 305 1538 31 PHE CZ C 130.521 0 1 306 1538 31 PHE N N 120.753 0 1 307 1539 32 THR H H 8.635 0 1 308 1539 32 THR HA H 5.635 0 1 309 1539 32 THR HB H 3.968 0 1 310 1539 32 THR HG2 H 1.16 0 1 311 1539 32 THR C C 174.443 0 1 312 1539 32 THR CA C 59.616 0 1 313 1539 32 THR CB C 72.709 0 1 314 1539 32 THR CG2 C 22.909 0 1 315 1539 32 THR N N 112.4 0 1 316 1540 33 ALA H H 8.813 0 1 317 1540 33 ALA HA H 4.774 0 1 318 1540 33 ALA HB H 1.276 0 1 319 1540 33 ALA C C 176.605 0 1 320 1540 33 ALA CA C 50.388 0 1 321 1540 33 ALA CB C 22.195 0 1 322 1540 33 ALA N N 122.382 0 1 323 1541 34 ALA H H 8.604 0 1 324 1541 34 ALA HA H 4.573 0 1 325 1541 34 ALA HB H 1.455 0 1 326 1541 34 ALA C C 178.234 0 1 327 1541 34 ALA CA C 53.038 0 1 328 1541 34 ALA CB C 19.34 0 1 329 1541 34 ALA N N 124.802 0 1 330 1542 35 TYR H H 8.279 0 1 331 1542 35 TYR HA H 4.893 0 1 332 1542 35 TYR HB2 H 2.761 0 2 333 1542 35 TYR HB3 H 2.915 0 2 334 1542 35 TYR HD1 H 6.844 0 1 335 1542 35 TYR HD2 H 6.844 0 1 336 1542 35 TYR HE1 H 6.508 0 1 337 1542 35 TYR HE2 H 6.508 0 1 338 1542 35 TYR C C 174.958 0 1 339 1542 35 TYR CA C 56.085 0 1 340 1542 35 TYR CB C 39.416 0 1 341 1542 35 TYR CD1 C 131.902 0 1 342 1542 35 TYR CD2 C 131.902 0 1 343 1542 35 TYR CE1 C 118.025 0 1 344 1542 35 TYR CE2 C 118.025 0 1 345 1542 35 TYR N N 121.562 0 1 346 1543 36 SER H H 8.07 0 1 347 1543 36 SER HA H 4.236 0 1 348 1543 36 SER HB2 H 3.811 0 2 349 1543 36 SER HB3 H 3.855 0 2 350 1543 36 SER C C 175.407 0 1 351 1543 36 SER CA C 58.627 0 1 352 1543 36 SER CB C 63.456 0 1 353 1543 36 SER N N 118.325 0 1 354 1544 37 GLU H H 8.487 0 1 355 1544 37 GLU HA H 4.168 0 1 356 1544 37 GLU HB2 H 2.037 0 1 357 1544 37 GLU HB3 H 2.037 0 1 358 1544 37 GLU HG2 H 2.253 0 2 359 1544 37 GLU HG3 H 2.341 0 2 360 1544 37 GLU C C 177.883 0 1 361 1544 37 GLU CA C 58.767 0 1 362 1544 37 GLU CB C 29.194 0 1 363 1544 37 GLU CG C 36.517 0 1 364 1544 37 GLU N N 120.453 0 1 365 1545 38 LYS H H 8.03 0 1 366 1545 38 LYS HA H 4.477 0 1 367 1545 38 LYS HB2 H 1.549 0 2 368 1545 38 LYS HB3 H 1.923 0 2 369 1545 38 LYS HG2 H 1.253 0 1 370 1545 38 LYS HG3 H 1.253 0 1 371 1545 38 LYS HD2 H 1.579 0 2 372 1545 38 LYS HD3 H 1.635 0 2 373 1545 38 LYS HE2 H 2.961 0 1 374 1545 38 LYS HE3 H 2.961 0 1 375 1545 38 LYS HZ H 6.855 0 1 376 1545 38 LYS C C 177.143 0 1 377 1545 38 LYS CA C 55.784 0 1 378 1545 38 LYS CB C 33.336 0 1 379 1545 38 LYS CG C 24.961 0 1 380 1545 38 LYS CD C 28.873 0 1 381 1545 38 LYS CE C 40.365 0 1 382 1545 38 LYS N N 116.21 0 1 383 1546 39 GLY H H 7.8 0 1 384 1546 39 GLY HA2 H 4.052 0 2 385 1546 39 GLY HA3 H 3.828 0 2 386 1546 39 GLY C C 173.67 0 1 387 1546 39 GLY CA C 45.394 0 1 388 1546 39 GLY N N 109.288 0 1 389 1547 40 LEU H H 8.599 0 1 390 1547 40 LEU HA H 4.973 0 1 391 1547 40 LEU HB2 H 1.105 0 2 392 1547 40 LEU HB3 H 1.383 0 2 393 1547 40 LEU HG H 1.506 0 1 394 1547 40 LEU HD1 H 0.761 0 1 395 1547 40 LEU HD2 H 0.761 0 1 396 1547 40 LEU C C 176.778 0 1 397 1547 40 LEU CA C 54.487 0 1 398 1547 40 LEU CB C 45.103 0 1 399 1547 40 LEU CG C 26.468 0 1 400 1547 40 LEU CD1 C 25.085 0 1 401 1547 40 LEU CD2 C 25.085 0 1 402 1547 40 LEU N N 123.791 0 1 403 1548 41 VAL H H 9.019 0 1 404 1548 41 VAL HA H 4.679 0 1 405 1548 41 VAL HB H 2.013 0 1 406 1548 41 VAL HG1 H 0.936 0 2 407 1548 41 VAL HG2 H 0.831 0 2 408 1548 41 VAL C C 175.732 0 1 409 1548 41 VAL CA C 60.969 0 1 410 1548 41 VAL CB C 34.107 0 1 411 1548 41 VAL CG1 C 21.309 0 2 412 1548 41 VAL CG2 C 21.206 0 2 413 1548 41 VAL N N 121.048 0 1 414 1549 42 TYR H H 9.033 0 1 415 1549 42 TYR HA H 3.937 0 1 416 1549 42 TYR HB2 H 2.833 0 2 417 1549 42 TYR HB3 H 3.104 0 2 418 1549 42 TYR HD1 H 7.124 0 1 419 1549 42 TYR HD2 H 7.124 0 1 420 1549 42 TYR HE1 H 6.729 0 1 421 1549 42 TYR HE2 H 6.729 0 1 422 1549 42 TYR C C 176.353 0 1 423 1549 42 TYR CA C 57.263 0 1 424 1549 42 TYR CB C 39.809 0 1 425 1549 42 TYR CD1 C 133.372 0 1 426 1549 42 TYR CD2 C 133.372 0 1 427 1549 42 TYR CE1 C 117.419 0 1 428 1549 42 TYR CE2 C 117.419 0 1 429 1549 42 TYR N N 127.192 0 1 430 1550 43 MET H H 8.813 0 1 431 1550 43 MET HA H 5.782 0 1 432 1550 43 MET HB2 H 1.819 0 2 433 1550 43 MET HB3 H 1.906 0 2 434 1550 43 MET HG2 H 2.258 0 2 435 1550 43 MET HG3 H 2.131 0 2 436 1550 43 MET HE H 0.796 0 1 437 1550 43 MET C C 175.74 0 1 438 1550 43 MET CA C 54.842 0 1 439 1550 43 MET CB C 38.024 0 1 440 1550 43 MET CG C 30.457 0 1 441 1550 43 MET CE C 15.299 0 1 442 1550 43 MET N N 118.372 0 1 443 1551 44 SER H H 9.422 0 1 444 1551 44 SER HA H 5.589 0 1 445 1551 44 SER HB2 H 3.668 0 2 446 1551 44 SER HB3 H 3.757 0 2 447 1551 44 SER C C 173.859 0 1 448 1551 44 SER CA C 58.435 0 1 449 1551 44 SER CB C 67.843 0 1 450 1551 44 SER N N 121.11 0 1 451 1552 45 ILE H H 9.974 0 1 452 1552 45 ILE HA H 4.202 0 1 453 1552 45 ILE HB H 2.078 0 1 454 1552 45 ILE HG12 H 1.283 0 2 455 1552 45 ILE HG13 H 1.841 0 2 456 1552 45 ILE HG2 H 0.797 0 1 457 1552 45 ILE HD1 H 0.813 0 1 458 1552 45 ILE C C 176.758 0 1 459 1552 45 ILE CA C 58.312 0 1 460 1552 45 ILE CB C 36.621 0 1 461 1552 45 ILE CG1 C 27.496 0 1 462 1552 45 ILE CG2 C 17.025 0 1 463 1552 45 ILE CD1 C 9.557 0 1 464 1552 45 ILE N N 124.249 0 1 465 1553 46 CYS H H 8.201 0 1 466 1553 46 CYS HA H 4.691 0 1 467 1553 46 CYS HB2 H 3.247 0 2 468 1553 46 CYS HB3 H 4.126 0 2 469 1553 46 CYS C C 172.913 0 1 470 1553 46 CYS CA C 56.249 0 1 471 1553 46 CYS CB C 41.057 0 1 472 1553 46 CYS N N 118.832 0 1 473 1554 47 GLY H H 6.995 0 1 474 1554 47 GLY HA2 H 3.714 0 2 475 1554 47 GLY HA3 H 4.09 0 2 476 1554 47 GLY C C 170.669 0 1 477 1554 47 GLY CA C 45.355 0 1 478 1554 47 GLY N N 100.983 0 1 479 1555 48 GLU H H 7.919 0 1 480 1555 48 GLU HA H 3.811 0 1 481 1555 48 GLU HB2 H 1.588 0 2 482 1555 48 GLU HB3 H 2.247 0 2 483 1555 48 GLU HG2 H 1.863 0 2 484 1555 48 GLU HG3 H 2.137 0 2 485 1555 48 GLU C C 174.797 0 1 486 1555 48 GLU CA C 55.09 0 1 487 1555 48 GLU CB C 28.938 0 1 488 1555 48 GLU CG C 34.893 0 1 489 1555 48 GLU N N 115.388 0 1 490 1556 49 ASN H H 8.07 0 1 491 1556 49 ASN HA H 5.545 0 1 492 1556 49 ASN HB2 H 2.17 0 2 493 1556 49 ASN HB3 H 2.659 0 2 494 1556 49 ASN C C 178.662 0 1 495 1556 49 ASN CA C 52.518 0 1 496 1556 49 ASN CB C 43.771 0 1 497 1556 49 ASN N N 117.851 0 1 498 1557 50 GLU H H 9.282 0 1 499 1557 50 GLU HA H 4.177 0 1 500 1557 50 GLU HB2 H 2.157 0 2 501 1557 50 GLU HB3 H 1.732 0 2 502 1557 50 GLU HG2 H 1.819 0 1 503 1557 50 GLU HG3 H 1.819 0 1 504 1557 50 GLU C C 176.005 0 1 505 1557 50 GLU CA C 57.86 0 1 506 1557 50 GLU CB C 29.317 0 1 507 1557 50 GLU CG C 33.394 0 1 508 1557 50 GLU N N 126.271 0 1 509 1558 51 ASN H H 8.551 0 1 510 1558 51 ASN HA H 4.472 0 1 511 1558 51 ASN HB2 H 1.808 0 2 512 1558 51 ASN HB3 H 2.264 0 2 513 1558 51 ASN C C 174.356 0 1 514 1558 51 ASN CA C 54.05 0 1 515 1558 51 ASN CB C 39.07 0 1 516 1558 51 ASN N N 118.003 0 1 517 1559 52 CYS H H 7.636 0 1 518 1559 52 CYS HA H 5.253 0 1 519 1559 52 CYS HB2 H 2.679 0 2 520 1559 52 CYS HB3 H 3.165 0 2 521 1559 52 CYS C C 172.046 0 1 522 1559 52 CYS CA C 50.545 0 1 523 1559 52 CYS CB C 39.307 0 1 524 1559 52 CYS N N 117.752 0 1 525 1560 53 PRO C C 178.756 0 1 526 1561 54 PRO HA H 4.196 0 1 527 1561 54 PRO HB2 H 2.422 0 1 528 1561 54 PRO HB3 H 2.422 0 1 529 1561 54 PRO HG2 H 1.899 0 1 530 1561 54 PRO HG3 H 1.899 0 1 531 1561 54 PRO C C 178.756 0 1 532 1561 54 PRO CA C 64.625 0 1 533 1561 54 PRO CB C 32.059 0 1 534 1561 54 PRO CG C 27.98 0 1 535 1562 55 GLY H H 9.329 0 1 536 1562 55 GLY HA2 H 4.234 0 2 537 1562 55 GLY HA3 H 3.808 0 2 538 1562 55 GLY C C 175.13 0 1 539 1562 55 GLY CA C 45.575 0 1 540 1562 55 GLY N N 112.622 0 1 541 1563 56 VAL H H 8.222 0 1 542 1563 56 VAL HA H 3.917 0 1 543 1563 56 VAL HB H 2.524 0 1 544 1563 56 VAL HG1 H 0.936 0 2 545 1563 56 VAL HG2 H 1.257 0 2 546 1563 56 VAL C C 175.854 0 1 547 1563 56 VAL CA C 64.874 0 1 548 1563 56 VAL CB C 31.812 0 1 549 1563 56 VAL CG1 C 22.499 0 2 550 1563 56 VAL CG2 C 24.506 0 2 551 1563 56 VAL N N 124.914 0 1 552 1564 57 GLY H H 8.547 0 1 553 1564 57 GLY HA2 H 4.303 0 2 554 1564 57 GLY HA3 H 3.919 0 2 555 1564 57 GLY C C 171.997 0 1 556 1564 57 GLY CA C 46.511 0 1 557 1564 57 GLY N N 114.947 0 1 558 1565 58 ALA H H 7.409 0 1 559 1565 58 ALA HA H 5.886 0 1 560 1565 58 ALA HB H 1.236 0 1 561 1565 58 ALA C C 176.078 0 1 562 1565 58 ALA CA C 51.185 0 1 563 1565 58 ALA CB C 22.039 0 1 564 1565 58 ALA N N 119.636 0 1 565 1566 59 CYS H H 9.289 0 1 566 1566 59 CYS HA H 5.57 0 1 567 1566 59 CYS HB2 H 2.839 0 2 568 1566 59 CYS HB3 H 3.184 0 2 569 1566 59 CYS C C 172.701 0 1 570 1566 59 CYS CA C 55.702 0 1 571 1566 59 CYS CB C 42.95 0 1 572 1566 59 CYS N N 114.73 0 1 573 1567 60 PHE H H 8.629 0 1 574 1567 60 PHE HA H 5.568 0 1 575 1567 60 PHE HB2 H 3.047 0 1 576 1567 60 PHE HB3 H 3.047 0 1 577 1567 60 PHE C C 177.38 0 1 578 1567 60 PHE CA C 57.269 0 1 579 1567 60 PHE CB C 42.694 0 1 580 1567 60 PHE N N 117.851 0 1 581 1568 61 GLY H H 9.036 0 1 582 1568 61 GLY HA2 H 4.258 0 1 583 1568 61 GLY HA3 H 4.258 0 1 584 1568 61 GLY C C 176.477 0 1 585 1568 61 GLY CA C 45.902 0 1 586 1568 61 GLY N N 108.317 0 1 587 1569 62 GLN H H 9.111 0 1 588 1569 62 GLN HA H 4.169 0 1 589 1569 62 GLN HB2 H 2.298 0 2 590 1569 62 GLN HB3 H 2.289 0 2 591 1569 62 GLN HG2 H 2.537 0 1 592 1569 62 GLN HG3 H 2.537 0 1 593 1569 62 GLN HE21 H 6.846 0 1 594 1569 62 GLN HE22 H 6.708 0 1 595 1569 62 GLN C C 178.627 0 1 596 1569 62 GLN CA C 59.699 0 1 597 1569 62 GLN CB C 28.548 0 1 598 1569 62 GLN CG C 34.243 0 1 599 1569 62 GLN N N 119.972 0 1 600 1569 62 GLN NE2 N 110.971 0 1 601 1570 63 THR H H 8.289 0 1 602 1570 63 THR HA H 4.374 0 1 603 1570 63 THR HG2 H 1.286 0 1 604 1570 63 THR C C 175.405 0 1 605 1570 63 THR CA C 61.546 0 1 606 1570 63 THR CB C 69.214 0 1 607 1570 63 THR CG2 C 21.986 0 1 608 1570 63 THR N N 108.025 0 1 609 1571 64 ARG H H 7.853 0 1 610 1571 64 ARG HA H 3.664 0 1 611 1571 64 ARG HB2 H 1.865 0 1 612 1571 64 ARG HB3 H 1.865 0 1 613 1571 64 ARG HG2 H 1.596 0 2 614 1571 64 ARG HG3 H 1.695 0 2 615 1571 64 ARG HD2 H 3.125 0 2 616 1571 64 ARG HD3 H 3.312 0 2 617 1571 64 ARG HE H 6.799 0 1 618 1571 64 ARG C C 175.775 0 1 619 1571 64 ARG CA C 56.151 0 1 620 1571 64 ARG CB C 27.177 0 1 621 1571 64 ARG CG C 27.029 0 1 622 1571 64 ARG CD C 42.895 0 1 623 1571 64 ARG CZ C 160.042 0 1 624 1571 64 ARG N N 117.178 0 1 625 1571 64 ARG NE N 85.783 0 1 626 1572 65 ILE H H 7.662 0 1 627 1572 65 ILE HA H 3.743 0 1 628 1572 65 ILE HB H 1.232 0 1 629 1572 65 ILE HG12 H 1.133 0 2 630 1572 65 ILE HG13 H 1.495 0 2 631 1572 65 ILE HG2 H 0.797 0 1 632 1572 65 ILE HD1 H 0.833 0 1 633 1572 65 ILE C C 177.76 0 1 634 1572 65 ILE CA C 61.805 0 1 635 1572 65 ILE CB C 38.411 0 1 636 1572 65 ILE CG1 C 28.213 0 1 637 1572 65 ILE CG2 C 17.647 0 1 638 1572 65 ILE CD1 C 12.101 0 1 639 1572 65 ILE N N 121.385 0 1 640 1573 66 SER H H 8.542 0 1 641 1573 66 SER HA H 4.443 0 1 642 1573 66 SER HB2 H 3.975 0 2 643 1573 66 SER HB3 H 4.324 0 2 644 1573 66 SER C C 177.671 0 1 645 1573 66 SER CA C 57.713 0 1 646 1573 66 SER CB C 63.638 0 1 647 1573 66 SER N N 121.011 0 1 648 1574 67 VAL H H 9.076 0 1 649 1574 67 VAL HA H 4.733 0 1 650 1574 67 VAL HB H 2.337 0 1 651 1574 67 VAL HG1 H 0.235 0 2 652 1574 67 VAL HG2 H 0.536 0 2 653 1574 67 VAL C C 174.912 0 1 654 1574 67 VAL CA C 59.674 0 1 655 1574 67 VAL CB C 29.256 0 1 656 1574 67 VAL CG1 C 22.818 0 2 657 1574 67 VAL CG2 C 19.536 0 2 658 1574 67 VAL N N 121.854 0 1 659 1575 68 GLY H H 7.783 0 1 660 1575 68 GLY HA2 H 3.062 0 2 661 1575 68 GLY HA3 H 4.706 0 2 662 1575 68 GLY C C 174.277 0 1 663 1575 68 GLY CA C 45.405 0 1 664 1575 68 GLY N N 106.627 0 1 665 1576 69 LYS H H 9.12 0 1 666 1576 69 LYS HA H 4.323 0 1 667 1576 69 LYS HB2 H 1.825 0 1 668 1576 69 LYS HB3 H 1.825 0 1 669 1576 69 LYS HG2 H 1.408 0 2 670 1576 69 LYS HG3 H 1.846 0 2 671 1576 69 LYS HE2 H 3.176 0 1 672 1576 69 LYS HE3 H 3.176 0 1 673 1576 69 LYS C C 177.464 0 1 674 1576 69 LYS CA C 57.223 0 1 675 1576 69 LYS CB C 32.931 0 1 676 1576 69 LYS CG C 25.809 0 1 677 1576 69 LYS CD C 29.977 0 1 678 1576 69 LYS CE C 42.098 0 1 679 1576 69 LYS N N 127.143 0 1 680 1577 70 ALA H H 7.993 0 1 681 1577 70 ALA HA H 2.579 0 1 682 1577 70 ALA HB H 0.665 0 1 683 1577 70 ALA C C 177.255 0 1 684 1577 70 ALA CA C 52.148 0 1 685 1577 70 ALA CB C 18.695 0 1 686 1577 70 ALA N N 124.249 0 1 687 1578 71 ASN H H 7.024 0 1 688 1578 71 ASN HA H 4.677 0 1 689 1578 71 ASN HB2 H 3.006 0 2 690 1578 71 ASN HB3 H 3.055 0 2 691 1578 71 ASN C C 172.966 0 1 692 1578 71 ASN CA C 53.334 0 1 693 1578 71 ASN CB C 41.122 0 1 694 1578 71 ASN N N 113.82 0 1 695 1579 72 LYS H H 8.792 0 1 696 1579 72 LYS HA H 4.889 0 1 697 1579 72 LYS HB2 H 1.959 0 2 698 1579 72 LYS HB3 H 2.097 0 2 699 1579 72 LYS HG2 H 1.325 0 1 700 1579 72 LYS HG3 H 1.325 0 1 701 1579 72 LYS HD2 H 1.811 0 1 702 1579 72 LYS HD3 H 1.811 0 1 703 1579 72 LYS HE2 H 3.081 0 1 704 1579 72 LYS HE3 H 3.081 0 1 705 1579 72 LYS C C 177.109 0 1 706 1579 72 LYS CA C 54.698 0 1 707 1579 72 LYS CB C 32.883 0 1 708 1579 72 LYS CG C 24.476 0 1 709 1579 72 LYS CD C 30.027 0 1 710 1579 72 LYS CE C 45.33 0 1 711 1579 72 LYS N N 116.046 0 1 712 1580 73 ARG H H 8.548 0 1 713 1580 73 ARG HA H 4.725 0 1 714 1580 73 ARG HB2 H 1.852 0 2 715 1580 73 ARG HB3 H 1.922 0 2 716 1580 73 ARG HG2 H 1.653 0 2 717 1580 73 ARG HG3 H 1.694 0 2 718 1580 73 ARG HD2 H 3.251 0 2 719 1580 73 ARG HD3 H 3.32 0 2 720 1580 73 ARG HE H 7.535 0 1 721 1580 73 ARG C C 175.266 0 1 722 1580 73 ARG CA C 55.17 0 1 723 1580 73 ARG CB C 28.936 0 1 724 1580 73 ARG CG C 27.402 0 1 725 1580 73 ARG CD C 43.608 0 1 726 1580 73 ARG CZ C 160.534 0 1 727 1580 73 ARG N N 123.185 0 1 728 1580 73 ARG NE N 85.023 0 1 729 1581 74 LEU H H 8.458 0 1 730 1581 74 LEU HA H 4.61 0 1 731 1581 74 LEU HB2 H 1.051 0 2 732 1581 74 LEU HB3 H 1.653 0 2 733 1581 74 LEU HG H 1.426 0 1 734 1581 74 LEU HD1 H 0.619 0 2 735 1581 74 LEU HD2 H 0.692 0 2 736 1581 74 LEU C C 176.553 0 1 737 1581 74 LEU CA C 54.789 0 1 738 1581 74 LEU CB C 44.492 0 1 739 1581 74 LEU CD1 C 26.24 0 2 740 1581 74 LEU CD2 C 24.529 0 2 741 1581 74 LEU N N 129.918 0 1 742 1582 75 ARG H H 8.939 0 1 743 1582 75 ARG HA H 5.052 0 1 744 1582 75 ARG HB2 H 1.765 0 2 745 1582 75 ARG HB3 H 1.842 0 2 746 1582 75 ARG HG2 H 1.668 0 1 747 1582 75 ARG HG3 H 1.668 0 1 748 1582 75 ARG HD2 H 3.189 0 2 749 1582 75 ARG HD3 H 3.288 0 2 750 1582 75 ARG HE H 7.246 0 1 751 1582 75 ARG C C 175.373 0 1 752 1582 75 ARG CA C 54.766 0 1 753 1582 75 ARG CB C 34.041 0 1 754 1582 75 ARG CG C 27.299 0 1 755 1582 75 ARG CD C 43.61 0 1 756 1582 75 ARG CZ C 160.441 0 1 757 1582 75 ARG N N 123.694 0 1 758 1582 75 ARG NE N 85.033 0 1 759 1583 76 TYR H H 9.005 0 1 760 1583 76 TYR HA H 4.896 0 1 761 1583 76 TYR HB2 H 2.639 0 2 762 1583 76 TYR HB3 H 3.164 0 2 763 1583 76 TYR C C 175.455 0 1 764 1583 76 TYR CA C 57.752 0 1 765 1583 76 TYR CB C 39.992 0 1 766 1583 76 TYR N N 125.22 0 1 767 1584 77 VAL H H 8.745 0 1 768 1584 77 VAL HA H 4.262 0 1 769 1584 77 VAL HB H 1.891 0 1 770 1584 77 VAL HG1 H 0.813 0 1 771 1584 77 VAL HG2 H 0.813 0 1 772 1584 77 VAL C C 175.568 0 1 773 1584 77 VAL CA C 60.493 0 1 774 1584 77 VAL CB C 33.541 0 1 775 1584 77 VAL CG1 C 20.193 0 1 776 1584 77 VAL CG2 C 20.193 0 1 777 1584 77 VAL N N 128.596 0 1 778 1585 78 ASP H H 9.024 0 1 779 1585 78 ASP HA H 4.242 0 1 780 1585 78 ASP HB2 H 2.534 0 2 781 1585 78 ASP HB3 H 2.871 0 2 782 1585 78 ASP C C 175.121 0 1 783 1585 78 ASP CA C 55.956 0 1 784 1585 78 ASP CB C 39.703 0 1 785 1585 78 ASP N N 127.089 0 1 786 1586 79 GLN H H 6.606 0 1 787 1586 79 GLN HA H 3.596 0 1 788 1586 79 GLN HB2 H 2.401 0 2 789 1586 79 GLN HB3 H 2.533 0 2 790 1586 79 GLN HG2 H 2.367 0 2 791 1586 79 GLN HG3 H 2.465 0 2 792 1586 79 GLN C C 175.177 0 1 793 1586 79 GLN CA C 58.44 0 1 794 1586 79 GLN CB C 27.883 0 1 795 1586 79 GLN CG C 34.961 0 1 796 1586 79 GLN N N 104.645 0 1 797 1587 80 VAL H H 7.706 0 1 798 1587 80 VAL HA H 4.512 0 1 799 1587 80 VAL HB H 2.14 0 1 800 1587 80 VAL HG1 H 0.89 0 2 801 1587 80 VAL HG2 H 0.928 0 2 802 1587 80 VAL C C 175.586 0 1 803 1587 80 VAL CA C 60.551 0 1 804 1587 80 VAL CB C 34.023 0 1 805 1587 80 VAL CG1 C 20.848 0 2 806 1587 80 VAL CG2 C 21.393 0 2 807 1587 80 VAL N N 120.92 0 1 808 1588 81 LEU H H 8.283 0 1 809 1588 81 LEU HA H 5.414 0 1 810 1588 81 LEU HB2 H 1.367 0 2 811 1588 81 LEU HB3 H 1.768 0 2 812 1588 81 LEU HG H 1.392 0 1 813 1588 81 LEU HD1 H 0.482 0 2 814 1588 81 LEU HD2 H 0.167 0 2 815 1588 81 LEU C C 174.103 0 1 816 1588 81 LEU CA C 52.318 0 1 817 1588 81 LEU CB C 42.765 0 1 818 1588 81 LEU CG C 26.96 0 1 819 1588 81 LEU CD1 C 25.166 0 2 820 1588 81 LEU CD2 C 22.792 0 2 821 1588 81 LEU N N 122.871 0 1 822 1589 82 GLN H H 9.432 0 1 823 1589 82 GLN HA H 6.011 0 1 824 1589 82 GLN HB2 H 1.737 0 2 825 1589 82 GLN HB3 H 1.848 0 2 826 1589 82 GLN HG2 H 2.122 0 2 827 1589 82 GLN HG3 H 2.182 0 2 828 1589 82 GLN HE21 H 6.738 0 1 829 1589 82 GLN HE22 H 7.046 0 1 830 1589 82 GLN C C 176.071 0 1 831 1589 82 GLN CA C 54.973 0 1 832 1589 82 GLN CB C 35.742 0 1 833 1589 82 GLN CG C 35.614 0 1 834 1589 82 GLN N N 122.15 0 1 835 1589 82 GLN NE2 N 109.623 0 1 836 1590 83 LEU H H 8.975 0 1 837 1590 83 LEU HA H 4.84 0 1 838 1590 83 LEU HB2 H 1.441 0 1 839 1590 83 LEU HB3 H 1.441 0 1 840 1590 83 LEU HG H 1.571 0 1 841 1590 83 LEU HD1 H 1.019 0 2 842 1590 83 LEU HD2 H 1.135 0 2 843 1590 83 LEU C C 176.619 0 1 844 1590 83 LEU CA C 53.79 0 1 845 1590 83 LEU CB C 47.392 0 1 846 1590 83 LEU CG C 27.017 0 1 847 1590 83 LEU CD1 C 24.473 0 2 848 1590 83 LEU CD2 C 25.767 0 2 849 1590 83 LEU N N 126.529 0 1 850 1591 84 VAL H H 9.441 0 1 851 1591 84 VAL HA H 5.034 0 1 852 1591 84 VAL HB H 2.077 0 1 853 1591 84 VAL HG1 H 0.876 0 2 854 1591 84 VAL HG2 H 0.968 0 2 855 1591 84 VAL C C 177.212 0 1 856 1591 84 VAL CA C 61.083 0 1 857 1591 84 VAL CB C 34.264 0 1 858 1591 84 VAL CG1 C 20.738 0 2 859 1591 84 VAL CG2 C 21.082 0 2 860 1591 84 VAL N N 122.93 0 1 861 1592 85 TYR H H 9.381 0 1 862 1592 85 TYR HA H 5.277 0 1 863 1592 85 TYR HB2 H 2.926 0 2 864 1592 85 TYR HB3 H 3.205 0 2 865 1592 85 TYR C C 175.174 0 1 866 1592 85 TYR CA C 52.394 0 1 867 1592 85 TYR CB C 38.189 0 1 868 1592 85 TYR N N 129.694 0 1 869 1593 86 LYS H H 9.086 0 1 870 1593 86 LYS HA H 5.094 0 1 871 1593 86 LYS HB2 H 1.795 0 2 872 1593 86 LYS HB3 H 1.993 0 2 873 1593 86 LYS HG2 H 1.484 0 1 874 1593 86 LYS HG3 H 1.484 0 1 875 1593 86 LYS HE2 H 2.916 0 2 876 1593 86 LYS HE3 H 3.051 0 2 877 1593 86 LYS C C 176.152 0 1 878 1593 86 LYS CA C 54.512 0 1 879 1593 86 LYS CB C 35.496 0 1 880 1593 86 LYS CG C 24.338 0 1 881 1593 86 LYS CD C 29.576 0 1 882 1593 86 LYS CE C 41.919 0 1 883 1593 86 LYS N N 122.523 0 1 884 1594 87 ASP H H 9.244 0 1 885 1594 87 ASP HA H 4.394 0 1 886 1594 87 ASP HB2 H 2.939 0 2 887 1594 87 ASP HB3 H 3.052 0 2 888 1594 87 ASP C C 177.639 0 1 889 1594 87 ASP CA C 55.934 0 1 890 1594 87 ASP CB C 38.559 0 1 891 1594 87 ASP N N 115.857 0 1 892 1595 88 GLY H H 8.187 0 1 893 1595 88 GLY HA2 H 3.549 0 2 894 1595 88 GLY HA3 H 4.343 0 2 895 1595 88 GLY C C 172.966 0 1 896 1595 88 GLY CA C 44.485 0 1 897 1595 88 GLY N N 103.85 0 1 898 1596 89 SER H H 8.784 0 1 899 1596 89 SER HA H 4.813 0 1 900 1596 89 SER HB2 H 4.128 0 2 901 1596 89 SER HB3 H 4.351 0 2 902 1596 89 SER CA C 59.718 0 1 903 1596 89 SER CB C 62.561 0 1 904 1596 89 SER N N 115.884 0 1 905 1597 90 PRO HA H 4.48 0 1 906 1597 90 PRO C C 178.4 0 1 907 1597 90 PRO CA C 63.972 0 1 908 1597 90 PRO CB C 32.152 0 1 909 1598 91 CYS H H 8.41 0 1 910 1598 91 CYS HA H 4.673 0 1 911 1598 91 CYS HB2 H 2.757 0 2 912 1598 91 CYS HB3 H 2.247 0 2 913 1598 91 CYS CA C 51.681 0 1 914 1598 91 CYS CB C 42.348 0 1 915 1598 91 CYS N N 123.088 0 1 916 1599 92 PRO HA H 4.466 0 1 917 1599 92 PRO HB2 H 2.06 0 2 918 1599 92 PRO HB3 H 2.401 0 2 919 1599 92 PRO HG2 H 2.184 0 1 920 1599 92 PRO HG3 H 2.184 0 1 921 1599 92 PRO C C 177.838 0 1 922 1599 92 PRO CA C 64.368 0 1 923 1599 92 PRO CB C 31.597 0 1 924 1599 92 PRO CG C 27.496 0 1 925 1599 92 PRO CD C 51.42 0 1 926 1600 93 SER H H 7.471 0 1 927 1600 93 SER HA H 4.386 0 1 928 1600 93 SER HB2 H 3.897 0 2 929 1600 93 SER HB3 H 4.01 0 2 930 1600 93 SER C C 177.31 0 1 931 1600 93 SER CA C 59.114 0 1 932 1600 93 SER CB C 63.634 0 1 933 1600 93 SER N N 112.763 0 1 934 1601 94 LYS H H 7.427 0 1 935 1601 94 LYS HA H 4.443 0 1 936 1601 94 LYS HB2 H 1.563 0 1 937 1601 94 LYS HB3 H 1.563 0 1 938 1601 94 LYS C C 175.641 0 1 939 1601 94 LYS CA C 55.914 0 1 940 1601 94 LYS CB C 33.266 0 1 941 1601 94 LYS CG C 24.482 0 1 942 1601 94 LYS CD C 28.846 0 1 943 1601 94 LYS N N 122.618 0 1 944 1602 95 SER H H 8.389 0 1 945 1602 95 SER HA H 4.405 0 1 946 1602 95 SER HB2 H 3.901 0 1 947 1602 95 SER HB3 H 3.901 0 1 948 1602 95 SER C C 176.498 0 1 949 1602 95 SER CA C 59.652 0 1 950 1602 95 SER CB C 62.891 0 1 951 1602 95 SER N N 118.479 0 1 952 1603 96 GLY H H 8.596 0 1 953 1603 96 GLY HA2 H 4.22 0 2 954 1603 96 GLY HA3 H 3.821 0 2 955 1603 96 GLY C C 175.184 0 1 956 1603 96 GLY CA C 45.807 0 1 957 1603 96 GLY N N 113.535 0 1 958 1604 97 LEU H H 7.742 0 1 959 1604 97 LEU HA H 4.717 0 1 960 1604 97 LEU HB2 H 1.798 0 2 961 1604 97 LEU HB3 H 1.486 0 2 962 1604 97 LEU HG H 1.57 0 1 963 1604 97 LEU HD1 H 0.869 0 1 964 1604 97 LEU HD2 H 0.869 0 1 965 1604 97 LEU C C 177.374 0 1 966 1604 97 LEU CA C 54.476 0 1 967 1604 97 LEU CB C 43.711 0 1 968 1604 97 LEU CD1 C 25.653 0 1 969 1604 97 LEU CD2 C 25.653 0 1 970 1604 97 LEU N N 119.823 0 1 971 1605 98 SER H H 8.382 0 1 972 1605 98 SER HA H 4.967 0 1 973 1605 98 SER HB2 H 3.865 0 2 974 1605 98 SER HB3 H 3.725 0 2 975 1605 98 SER C C 174.56 0 1 976 1605 98 SER CA C 56.799 0 1 977 1605 98 SER CB C 65.745 0 1 978 1605 98 SER N N 117.521 0 1 979 1606 99 TYR H H 8.781 0 1 980 1606 99 TYR HA H 5.216 0 1 981 1606 99 TYR HB2 H 2.936 0 2 982 1606 99 TYR HB3 H 3.191 0 2 983 1606 99 TYR HD1 H 7.18 0 1 984 1606 99 TYR HD2 H 7.18 0 1 985 1606 99 TYR HE1 H 6.812 0 1 986 1606 99 TYR HE2 H 6.812 0 1 987 1606 99 TYR C C 176.64 0 1 988 1606 99 TYR CA C 60.034 0 1 989 1606 99 TYR CB C 42.212 0 1 990 1606 99 TYR CD1 C 133.767 0 1 991 1606 99 TYR CD2 C 133.767 0 1 992 1606 99 TYR CE1 C 116.921 0 1 993 1606 99 TYR CE2 C 116.921 0 1 994 1606 99 TYR N N 120.277 0 1 995 1607 100 LYS H H 8.454 0 1 996 1607 100 LYS HA H 5.18 0 1 997 1607 100 LYS HB2 H 1.984 0 1 998 1607 100 LYS HB3 H 1.984 0 1 999 1607 100 LYS HG2 H 1.33 0 2 1000 1607 100 LYS HG3 H 1.581 0 2 1001 1607 100 LYS HD2 H 1.992 0 1 1002 1607 100 LYS HD3 H 1.992 0 1 1003 1607 100 LYS HE2 H 2.943 0 2 1004 1607 100 LYS HE3 H 2.988 0 2 1005 1607 100 LYS C C 175.448 0 1 1006 1607 100 LYS CA C 54.929 0 1 1007 1607 100 LYS CB C 36.669 0 1 1008 1607 100 LYS CG C 23.873 0 1 1009 1607 100 LYS N N 117.067 0 1 1010 1608 101 SER H H 9.325 0 1 1011 1608 101 SER HA H 5.63 0 1 1012 1608 101 SER HB2 H 3.664 0 2 1013 1608 101 SER HB3 H 3.762 0 2 1014 1608 101 SER C C 173.063 0 1 1015 1608 101 SER CA C 58.571 0 1 1016 1608 101 SER CB C 66.665 0 1 1017 1608 101 SER N N 116.98 0 1 1018 1609 102 VAL H H 9.198 0 1 1019 1609 102 VAL HA H 4.504 0 1 1020 1609 102 VAL HB H 1.978 0 1 1021 1609 102 VAL HG1 H 0.923 0 2 1022 1609 102 VAL HG2 H 0.724 0 2 1023 1609 102 VAL C C 175.956 0 1 1024 1609 102 VAL CA C 61.485 0 1 1025 1609 102 VAL CB C 33.022 0 1 1026 1609 102 VAL CG1 C 20.791 0 2 1027 1609 102 VAL CG2 C 20.163 0 2 1028 1609 102 VAL N N 125.537 0 1 1029 1610 103 ILE H H 9.401 0 1 1030 1610 103 ILE HA H 4.38 0 1 1031 1610 103 ILE HB H 1.569 0 1 1032 1610 103 ILE HG12 H 1.173 0 2 1033 1610 103 ILE HG13 H 0.384 0 2 1034 1610 103 ILE HG2 H 0.169 0 1 1035 1610 103 ILE HD1 H 0.214 0 1 1036 1610 103 ILE C C 174.414 0 1 1037 1610 103 ILE CA C 61.13 0 1 1038 1610 103 ILE CB C 39.523 0 1 1039 1610 103 ILE CG1 C 27.641 0 1 1040 1610 103 ILE CG2 C 18.34 0 1 1041 1610 103 ILE CD1 C 13.906 0 1 1042 1610 103 ILE N N 130.22 0 1 1043 1611 104 SER H H 8.321 0 1 1044 1611 104 SER HA H 5.328 0 1 1045 1611 104 SER HB2 H 3.613 0 2 1046 1611 104 SER HB3 H 3.896 0 2 1047 1611 104 SER C C 173.188 0 1 1048 1611 104 SER CA C 57.656 0 1 1049 1611 104 SER CB C 64.196 0 1 1050 1611 104 SER N N 122.231 0 1 1051 1612 105 PHE H H 9.658 0 1 1052 1612 105 PHE HA H 5.401 0 1 1053 1612 105 PHE HB2 H 2.468 0 2 1054 1612 105 PHE HB3 H 2.875 0 2 1055 1612 105 PHE HD1 H 6.676 0 1 1056 1612 105 PHE HD2 H 6.676 0 1 1057 1612 105 PHE HE1 H 6.37 0 1 1058 1612 105 PHE HE2 H 6.37 0 1 1059 1612 105 PHE C C 175.058 0 1 1060 1612 105 PHE CA C 56.352 0 1 1061 1612 105 PHE CB C 39.204 0 1 1062 1612 105 PHE CE1 C 130.191 0 1 1063 1612 105 PHE CE2 C 130.191 0 1 1064 1612 105 PHE N N 124.951 0 1 1065 1613 106 VAL H H 8.413 0 1 1066 1613 106 VAL HA H 4.395 0 1 1067 1613 106 VAL HB H 1.391 0 1 1068 1613 106 VAL HG1 H 0.69 0 2 1069 1613 106 VAL HG2 H 0.904 0 2 1070 1613 106 VAL C C 176.14 0 1 1071 1613 106 VAL CA C 59.803 0 1 1072 1613 106 VAL CB C 35.292 0 1 1073 1613 106 VAL CG1 C 20.082 0 2 1074 1613 106 VAL CG2 C 21.376 0 2 1075 1613 106 VAL N N 121.709 0 1 1076 1614 107 CYS H H 9.224 0 1 1077 1614 107 CYS HA H 4.452 0 1 1078 1614 107 CYS HB2 H 2.853 0 2 1079 1614 107 CYS HB3 H 3.12 0 2 1080 1614 107 CYS C C 175.815 0 1 1081 1614 107 CYS CA C 57.013 0 1 1082 1614 107 CYS CB C 38.566 0 1 1083 1614 107 CYS N N 124.218 0 1 1084 1615 108 ARG H H 7.31 0 1 1085 1615 108 ARG HA H 4.781 0 1 1086 1615 108 ARG HD2 H 3.241 0 1 1087 1615 108 ARG HD3 H 3.241 0 1 1088 1615 108 ARG HE H 7.323 0 1 1089 1615 108 ARG CA C 53.594 0 1 1090 1615 108 ARG CB C 33.255 0 1 1091 1615 108 ARG CG C 27.547 0 1 1092 1615 108 ARG CD C 43.629 0 1 1093 1615 108 ARG N N 131.43 0 1 1094 1615 108 ARG NE N 84.916 0 1 1095 1616 109 PRO HA H 4.377 0 1 1096 1616 109 PRO HB2 H 2.084 0 2 1097 1616 109 PRO HB3 H 2.387 0 2 1098 1616 109 PRO HG2 H 2.584 0 1 1099 1616 109 PRO HG3 H 2.584 0 1 1100 1616 109 PRO C C 177.806 0 1 1101 1616 109 PRO CA C 64.775 0 1 1102 1616 109 PRO CB C 32.333 0 1 1103 1616 109 PRO CG C 27.377 0 1 1104 1616 109 PRO CD C 51.43 0 1 1105 1617 110 GLU H H 8.359 0 1 1106 1617 110 GLU HA H 4.441 0 1 1107 1617 110 GLU HB2 H 2.014 0 2 1108 1617 110 GLU HB3 H 2.093 0 2 1109 1617 110 GLU HG2 H 2.316 0 1 1110 1617 110 GLU HG3 H 2.316 0 1 1111 1617 110 GLU C C 176.713 0 1 1112 1617 110 GLU CA C 56.179 0 1 1113 1617 110 GLU CB C 30.042 0 1 1114 1617 110 GLU CG C 36.044 0 1 1115 1617 110 GLU N N 117.626 0 1 1116 1618 111 ALA H H 8.288 0 1 1117 1618 111 ALA HA H 4.359 0 1 1118 1618 111 ALA HB H 1.517 0 1 1119 1618 111 ALA C C 178.297 0 1 1120 1618 111 ALA CA C 52.64 0 1 1121 1618 111 ALA CB C 19.465 0 1 1122 1618 111 ALA N N 125.365 0 1 1123 1619 112 GLY H H 8.251 0 1 1124 1619 112 GLY HA2 H 4.249 0 2 1125 1619 112 GLY HA3 H 4.235 0 2 1126 1619 112 GLY C C 173.731 0 1 1127 1619 112 GLY CA C 45.902 0 1 1128 1619 112 GLY N N 108.875 0 1 1129 1620 113 PRO HA H 4.621 0 1 1130 1620 113 PRO HB2 H 2.121 0 2 1131 1620 113 PRO HB3 H 2.4 0 2 1132 1620 113 PRO HG2 H 2.115 0 1 1133 1620 113 PRO HG3 H 2.115 0 1 1134 1620 113 PRO HD2 H 3.714 0 2 1135 1620 113 PRO HD3 H 3.821 0 2 1136 1620 113 PRO C C 178.388 0 1 1137 1620 113 PRO CA C 64.104 0 1 1138 1620 113 PRO CB C 32.27 0 1 1139 1620 113 PRO CG C 27.204 0 1 1140 1620 113 PRO CD C 50.109 0 1 1141 1621 114 THR H H 8.149 0 1 1142 1621 114 THR HA H 4.485 0 1 1143 1621 114 THR HB H 4.456 0 1 1144 1621 114 THR HG2 H 1.314 0 1 1145 1621 114 THR C C 175.359 0 1 1146 1621 114 THR CA C 62.048 0 1 1147 1621 114 THR CB C 69.123 0 1 1148 1621 114 THR CG2 C 21.19 0 1 1149 1621 114 THR N N 111.424 0 1 1150 1622 115 ASN H H 8.373 0 1 1151 1622 115 ASN HA H 5.134 0 1 1152 1622 115 ASN HB2 H 3.168 0 2 1153 1622 115 ASN HB3 H 3.304 0 2 1154 1622 115 ASN HD21 H 8.002 0 1 1155 1622 115 ASN HD22 H 7.163 0 1 1156 1622 115 ASN C C 174.261 0 1 1157 1622 115 ASN CA C 53.327 0 1 1158 1622 115 ASN CB C 38.048 0 1 1159 1622 115 ASN N N 123.68 0 1 1160 1622 115 ASN ND2 N 112.162 0 1 1161 1623 116 ARG H H 7.986 0 1 1162 1623 116 ARG HA H 3.991 0 1 1163 1623 116 ARG HB2 H 1.641 0 2 1164 1623 116 ARG HB3 H 1.86 0 2 1165 1623 116 ARG HG2 H 1.548 0 2 1166 1623 116 ARG HG3 H 1.622 0 2 1167 1623 116 ARG HD2 H 3.165 0 2 1168 1623 116 ARG HD3 H 3.28 0 2 1169 1623 116 ARG HE H 7.199 0 1 1170 1623 116 ARG C C 172.599 0 1 1171 1623 116 ARG CA C 52.651 0 1 1172 1623 116 ARG CB C 31.047 0 1 1173 1623 116 ARG CG C 26.031 0 1 1174 1623 116 ARG CD C 43.762 0 1 1175 1623 116 ARG CZ C 160.587 0 1 1176 1623 116 ARG N N 121.036 0 1 1177 1623 116 ARG NE N 85.335 0 1 1178 1624 117 PRO C C 176.31 0 1 1179 1624 117 PRO CA C 62.075 0 1 1180 1624 117 PRO CB C 31.459 0 1 1181 1625 118 MET H H 8.645 0 1 1182 1625 118 MET HA H 4.844 0 1 1183 1625 118 MET HB2 H 2.039 0 1 1184 1625 118 MET HB3 H 2.039 0 1 1185 1625 118 MET HG2 H 2.625 0 2 1186 1625 118 MET HG3 H 2.525 0 2 1187 1625 118 MET C C 176.167 0 1 1188 1625 118 MET CA C 53.727 0 1 1189 1625 118 MET CB C 35.459 0 1 1190 1625 118 MET CG C 31.673 0 1 1191 1625 118 MET N N 118.231 0 1 1192 1626 119 LEU H H 9.334 0 1 1193 1626 119 LEU HA H 4.083 0 1 1194 1626 119 LEU HB2 H 1.027 0 2 1195 1626 119 LEU HB3 H 1.954 0 2 1196 1626 119 LEU HG H 1.022 0 1 1197 1626 119 LEU HD1 H 0.122 0 2 1198 1626 119 LEU HD2 H 0.572 0 2 1199 1626 119 LEU C C 176.468 0 1 1200 1626 119 LEU CA C 55.209 0 1 1201 1626 119 LEU CB C 41.617 0 1 1202 1626 119 LEU CG C 27.069 0 1 1203 1626 119 LEU CD1 C 22.827 0 2 1204 1626 119 LEU CD2 C 26.339 0 2 1205 1626 119 LEU N N 127.075 0 1 1206 1627 120 ILE H H 9.248 0 1 1207 1627 120 ILE HA H 4.194 0 1 1208 1627 120 ILE HB H 1.924 0 1 1209 1627 120 ILE HG12 H 1.408 0 1 1210 1627 120 ILE HG13 H 1.408 0 1 1211 1627 120 ILE HG2 H 0.903 0 1 1212 1627 120 ILE HD1 H 0.778 0 1 1213 1627 120 ILE C C 177.723 0 1 1214 1627 120 ILE CA C 61.247 0 1 1215 1627 120 ILE CB C 37.534 0 1 1216 1627 120 ILE CG1 C 26.718 0 1 1217 1627 120 ILE CG2 C 17.546 0 1 1218 1627 120 ILE CD1 C 10.888 0 1 1219 1627 120 ILE N N 129.659 0 1 1220 1628 121 SER H H 7.526 0 1 1221 1628 121 SER HA H 4.513 0 1 1222 1628 121 SER HB2 H 3.795 0 2 1223 1628 121 SER HB3 H 3.841 0 2 1224 1628 121 SER C C 171.789 0 1 1225 1628 121 SER CA C 57.96 0 1 1226 1628 121 SER CB C 64.757 0 1 1227 1628 121 SER N N 111.415 0 1 1228 1629 122 LEU H H 8.346 0 1 1229 1629 122 LEU HA H 5.048 0 1 1230 1629 122 LEU HB2 H 1.386 0 2 1231 1629 122 LEU HB3 H 1.823 0 2 1232 1629 122 LEU HG H 1.491 0 1 1233 1629 122 LEU HD1 H 0.876 0 1 1234 1629 122 LEU HD2 H 0.876 0 1 1235 1629 122 LEU C C 176.205 0 1 1236 1629 122 LEU CA C 54.903 0 1 1237 1629 122 LEU CB C 44.188 0 1 1238 1629 122 LEU CG C 28.768 0 1 1239 1629 122 LEU CD1 C 25.061 0 1 1240 1629 122 LEU CD2 C 25.061 0 1 1241 1629 122 LEU N N 124.935 0 1 1242 1630 123 ASP H H 9.326 0 1 1243 1630 123 ASP HA H 4.989 0 1 1244 1630 123 ASP HB2 H 2.89 0 2 1245 1630 123 ASP HB3 H 3.128 0 2 1246 1630 123 ASP C C 177.845 0 1 1247 1630 123 ASP CA C 53.101 0 1 1248 1630 123 ASP CB C 41.973 0 1 1249 1630 123 ASP N N 126.668 0 1 1250 1631 124 LYS H H 9.048 0 1 1251 1631 124 LYS HA H 3.954 0 1 1252 1631 124 LYS HB2 H 1.938 0 1 1253 1631 124 LYS HB3 H 1.938 0 1 1254 1631 124 LYS HG2 H 1.501 0 2 1255 1631 124 LYS HG3 H 1.672 0 2 1256 1631 124 LYS HD2 H 1.808 0 1 1257 1631 124 LYS HD3 H 1.808 0 1 1258 1631 124 LYS HE2 H 3.101 0 1 1259 1631 124 LYS HE3 H 3.101 0 1 1260 1631 124 LYS C C 178.712 0 1 1261 1631 124 LYS CA C 59.22 0 1 1262 1631 124 LYS CB C 32.757 0 1 1263 1631 124 LYS CG C 26.174 0 1 1264 1631 124 LYS CD C 29.515 0 1 1265 1631 124 LYS CE C 42.12 0 1 1266 1631 124 LYS N N 127.336 0 1 1267 1632 125 GLN H H 8.512 0 1 1268 1632 125 GLN HA H 4.226 0 1 1269 1632 125 GLN HB2 H 2.39 0 2 1270 1632 125 GLN HB3 H 2.247 0 2 1271 1632 125 GLN HG2 H 2.538 0 1 1272 1632 125 GLN HG3 H 2.538 0 1 1273 1632 125 GLN C C 178.08 0 1 1274 1632 125 GLN CA C 58.199 0 1 1275 1632 125 GLN CB C 28.781 0 1 1276 1632 125 GLN CG C 34.395 0 1 1277 1632 125 GLN N N 116.569 0 1 1278 1633 126 THR H H 7.205 0 1 1279 1633 126 THR HA H 4.359 0 1 1280 1633 126 THR HB H 4.451 0 1 1281 1633 126 THR HG2 H 1.209 0 1 1282 1633 126 THR C C 175.068 0 1 1283 1633 126 THR CA C 60.59 0 1 1284 1633 126 THR CB C 70.426 0 1 1285 1633 126 THR CG2 C 20.727 0 1 1286 1633 126 THR N N 103.992 0 1 1287 1634 127 CYS H H 8.041 0 1 1288 1634 127 CYS HA H 3.709 0 1 1289 1634 127 CYS HB2 H 2.752 0 2 1290 1634 127 CYS HB3 H 3.127 0 2 1291 1634 127 CYS C C 172.901 0 1 1292 1634 127 CYS CA C 58.84 0 1 1293 1634 127 CYS CB C 40.416 0 1 1294 1634 127 CYS N N 117.619 0 1 1295 1635 128 THR H H 7.512 0 1 1296 1635 128 THR HA H 5.044 0 1 1297 1635 128 THR HB H 3.652 0 1 1298 1635 128 THR HG2 H 0.325 0 1 1299 1635 128 THR C C 173.335 0 1 1300 1635 128 THR CA C 61.398 0 1 1301 1635 128 THR CB C 70.093 0 1 1302 1635 128 THR CG2 C 22.016 0 1 1303 1635 128 THR N N 111.483 0 1 1304 1636 129 LEU H H 9.202 0 1 1305 1636 129 LEU HA H 4.639 0 1 1306 1636 129 LEU HB2 H 1.225 0 2 1307 1636 129 LEU HB3 H 1.897 0 2 1308 1636 129 LEU HG H 1.555 0 1 1309 1636 129 LEU HD1 H 0.743 0 2 1310 1636 129 LEU HD2 H 0.975 0 2 1311 1636 129 LEU C C 174.676 0 1 1312 1636 129 LEU CA C 56.539 0 1 1313 1636 129 LEU CB C 43.065 0 1 1314 1636 129 LEU CG C 31.841 0 1 1315 1636 129 LEU CD1 C 26.962 0 2 1316 1636 129 LEU CD2 C 25.121 0 2 1317 1636 129 LEU N N 130.222 0 1 1318 1637 130 PHE H H 8.56 0 1 1319 1637 130 PHE HA H 5.142 0 1 1320 1637 130 PHE HB2 H 2.659 0 2 1321 1637 130 PHE HB3 H 2.898 0 2 1322 1637 130 PHE HD1 H 6.787 0 1 1323 1637 130 PHE HD2 H 6.787 0 1 1324 1637 130 PHE HE1 H 7.098 0 1 1325 1637 130 PHE HE2 H 7.098 0 1 1326 1637 130 PHE HZ H 6.972 0 1 1327 1637 130 PHE C C 175.61 0 1 1328 1637 130 PHE CA C 57.351 0 1 1329 1637 130 PHE CB C 39.771 0 1 1330 1637 130 PHE CD1 C 131.47 0 1 1331 1637 130 PHE CD2 C 131.47 0 1 1332 1637 130 PHE CE1 C 131.209 0 1 1333 1637 130 PHE CE2 C 131.209 0 1 1334 1637 130 PHE N N 120.131 0 1 1335 1638 131 PHE H H 9.468 0 1 1336 1638 131 PHE HA H 5.751 0 1 1337 1638 131 PHE HB2 H 2.673 0 2 1338 1638 131 PHE HB3 H 2.862 0 2 1339 1638 131 PHE C C 176.82 0 1 1340 1638 131 PHE CA C 55.85 0 1 1341 1638 131 PHE CB C 43.071 0 1 1342 1638 131 PHE N N 120.844 0 1 1343 1639 132 SER H H 9.358 0 1 1344 1639 132 SER HA H 5.477 0 1 1345 1639 132 SER HB2 H 3.712 0 1 1346 1639 132 SER HB3 H 3.712 0 1 1347 1639 132 SER C C 176.82 0 1 1348 1639 132 SER CA C 56.825 0 1 1349 1639 132 SER CB C 66.017 0 1 1350 1639 132 SER N N 117.447 0 1 1351 1640 133 TRP H H 9.015 0 1 1352 1640 133 TRP HA H 4.916 0 1 1353 1640 133 TRP HB2 H 3.049 0 2 1354 1640 133 TRP HB3 H 2.305 0 2 1355 1640 133 TRP HD1 H 6.97 0 1 1356 1640 133 TRP HE1 H 9.746 0 1 1357 1640 133 TRP HE3 H 6.87 0 1 1358 1640 133 TRP HZ2 H 6.782 0 1 1359 1640 133 TRP HZ3 H 6.48 0 1 1360 1640 133 TRP C C 176.136 0 1 1361 1640 133 TRP CA C 55.488 0 1 1362 1640 133 TRP CB C 31.578 0 1 1363 1640 133 TRP CD1 C 122.926 0 1 1364 1640 133 TRP CE3 C 119.098 0 1 1365 1640 133 TRP CZ2 C 114.149 0 1 1366 1640 133 TRP N N 129.4 0 1 1367 1640 133 TRP NE1 N 127.313 0 1 1368 1641 134 HIS H H 9.281 0 1 1369 1641 134 HIS HA H 5.466 0 1 1370 1641 134 HIS HB2 H 3.297 0 2 1371 1641 134 HIS HB3 H 2.951 0 2 1372 1641 134 HIS C C 174.889 0 1 1373 1641 134 HIS CA C 55.805 0 1 1374 1641 134 HIS CB C 29.751 0 1 1375 1641 134 HIS N N 128.623 0 1 1376 1642 135 THR H H 9.059 0 1 1377 1642 135 THR HA H 5.478 0 1 1378 1642 135 THR HB H 4.375 0 1 1379 1642 135 THR HG2 H 1.125 0 1 1380 1642 135 THR C C 174.471 0 1 1381 1642 135 THR CA C 56.774 0 1 1382 1642 135 THR CB C 69.134 0 1 1383 1642 135 THR CG2 C 20.105 0 1 1384 1642 135 THR N N 119.985 0 1 1385 1643 136 PRO HA H 4.784 0 1 1386 1643 136 PRO HD2 H 3.894 0 2 1387 1643 136 PRO HD3 H 4.158 0 2 1388 1643 136 PRO C C 180.293 0 1 1389 1643 136 PRO CA C 64.609 0 1 1390 1643 136 PRO CB C 32.105 0 1 1391 1643 136 PRO CG C 27.302 0 1 1392 1643 136 PRO CD C 52.604 0 1 1393 1644 137 LEU H H 8.553 0 1 1394 1644 137 LEU HA H 4.212 0 1 1395 1644 137 LEU HB2 H 1.411 0 2 1396 1644 137 LEU HB3 H 1.527 0 2 1397 1644 137 LEU HG H 1.622 0 1 1398 1644 137 LEU HD1 H 0.8 0 2 1399 1644 137 LEU HD2 H 0.97 0 2 1400 1644 137 LEU C C 177.839 0 1 1401 1644 137 LEU CA C 56.571 0 1 1402 1644 137 LEU CB C 41.798 0 1 1403 1644 137 LEU CG C 27.058 0 1 1404 1644 137 LEU CD1 C 25.727 0 2 1405 1644 137 LEU CD2 C 22.003 0 2 1406 1644 137 LEU N N 119.051 0 1 1407 1645 138 ALA H H 7.156 0 1 1408 1645 138 ALA HA H 4.563 0 1 1409 1645 138 ALA HB H 1.189 0 1 1410 1645 138 ALA C C 175.905 0 1 1411 1645 138 ALA CA C 51.271 0 1 1412 1645 138 ALA CB C 18.871 0 1 1413 1645 138 ALA N N 117.043 0 1 1414 1646 139 CYS H H 7.637 0 1 1415 1646 139 CYS HA H 4.924 0 1 1416 1646 139 CYS HB2 H 3.121 0 2 1417 1646 139 CYS HB3 H 3.344 0 2 1418 1646 139 CYS C C 174.624 0 1 1419 1646 139 CYS CA C 54.223 0 1 1420 1646 139 CYS CB C 42.308 0 1 1421 1646 139 CYS N N 117.375 0 1 1422 1647 140 GLU H H 9.022 0 1 1423 1647 140 GLU HA H 3.788 0 1 1424 1647 140 GLU HB2 H 1.64 0 2 1425 1647 140 GLU HB3 H 1.705 0 2 1426 1647 140 GLU HG2 H 1.923 0 2 1427 1647 140 GLU HG3 H 1.821 0 2 1428 1647 140 GLU C C 175.852 0 1 1429 1647 140 GLU CA C 56.058 0 1 1430 1647 140 GLU CB C 31 0 1 1431 1647 140 GLU CG C 35.953 0 1 1432 1647 140 GLU N N 123.707 0 1 1433 1648 141 GLN H H 8.342 0 1 1434 1648 141 GLN HA H 4.341 0 1 1435 1648 141 GLN HB2 H 2.02 0 2 1436 1648 141 GLN HB3 H 2.089 0 2 1437 1648 141 GLN HG2 H 2.389 0 1 1438 1648 141 GLN HG3 H 2.389 0 1 1439 1648 141 GLN C C 176.628 0 1 1440 1648 141 GLN CA C 55.912 0 1 1441 1648 141 GLN CB C 29.551 0 1 1442 1648 141 GLN CG C 33.847 0 1 1443 1648 141 GLN N N 121.852 0 1 1444 1649 142 ALA H H 8.579 0 1 1445 1649 142 ALA HA H 4.406 0 1 1446 1649 142 ALA HB H 1.457 0 1 1447 1649 142 ALA C C 178.817 0 1 1448 1649 142 ALA CA C 52.834 0 1 1449 1649 142 ALA CB C 19.394 0 1 1450 1649 142 ALA N N 126.012 0 1 1451 1650 143 THR H H 8.164 0 1 1452 1650 143 THR HA H 4.341 0 1 1453 1650 143 THR HB H 4.28 0 1 1454 1650 143 THR HG2 H 1.252 0 1 1455 1650 143 THR C C 175.564 0 1 1456 1650 143 THR CA C 62 0 1 1457 1650 143 THR CB C 69.891 0 1 1458 1650 143 THR CG2 C 21.835 0 1 1459 1650 143 THR N N 113.596 0 1 1460 1651 144 GLU H H 8.425 0 1 1461 1651 144 GLU HA H 4.309 0 1 1462 1651 144 GLU HB2 H 1.982 0 2 1463 1651 144 GLU HB3 H 2.061 0 2 1464 1651 144 GLU HG2 H 2.299 0 1 1465 1651 144 GLU HG3 H 2.299 0 1 1466 1651 144 GLU C C 177.306 0 1 1467 1651 144 GLU CA C 56.664 0 1 1468 1651 144 GLU CB C 30.338 0 1 1469 1651 144 GLU CG C 36.05 0 1 1470 1651 144 GLU N N 123.774 0 1 1471 1652 145 LYS H H 8.392 0 1 1472 1652 145 LYS HA H 4.233 0 1 1473 1652 145 LYS HB2 H 1.697 0 1 1474 1652 145 LYS HB3 H 1.697 0 1 1475 1652 145 LYS HG2 H 1.354 0 2 1476 1652 145 LYS HG3 H 1.407 0 2 1477 1652 145 LYS HD2 H 1.678 0 1 1478 1652 145 LYS HD3 H 1.678 0 1 1479 1652 145 LYS HE2 H 3.009 0 1 1480 1652 145 LYS HE3 H 3.009 0 1 1481 1652 145 LYS C C 177.036 0 1 1482 1652 145 LYS CA C 56.609 0 1 1483 1652 145 LYS CB C 32.944 0 1 1484 1652 145 LYS CG C 24.736 0 1 1485 1652 145 LYS CD C 28.991 0 1 1486 1652 145 LYS CE C 42.079 0 1 1487 1652 145 LYS N N 122.703 0 1 1488 1653 146 HIS H H 8.406 0 1 1489 1653 146 HIS HA H 4.669 0 1 1490 1653 146 HIS HB2 H 3.112 0 2 1491 1653 146 HIS HB3 H 3.184 0 2 1492 1653 146 HIS C C 174.477 0 1 1493 1653 146 HIS CA C 55.415 0 1 1494 1653 146 HIS CB C 29.507 0 1 1495 1653 146 HIS N N 119.062 0 1 1496 1654 147 HIS H H 8.346 0 1 1497 1654 147 HIS HA H 4.488 0 1 1498 1654 147 HIS HB2 H 3.17 0 2 1499 1654 147 HIS HB3 H 3.275 0 2 1500 1654 147 HIS C C 179.751 0 1 1501 1654 147 HIS CA C 57.268 0 1 1502 1654 147 HIS CB C 29.791 0 1 1503 1654 147 HIS N N 125.806 0 1 stop_ save_