data_17287 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR solution structure ensemble of domain 11 of the echidna M6P/IGF2R receptor ; _BMRB_accession_number 17287 _BMRB_flat_file_name bmr17287.str _Entry_type original _Submission_date 2010-11-09 _Accession_date 2010-11-09 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Echidna (Tachyglossus aculeatus) domain 11 of the mannose-6-phosphate/insulin-like growth factor 2 receptor (M6P/IGF2R).' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Strickland Madeleine . . 2 Crump Matthew P. . 3 Williams Christopher . . 4 Rezgui Dellel . . 5 Ellis Rosamund Z. . 6 Hoppe Hans . . 7 Frago Susana . . 8 Prince Stuart N. . 9 Zaccheo Oliver J. . 10 Forbes Briony E. . 11 Jones 'E Yvonne' . . 12 Hassan 'A Bassim' Z . 13 Wattana-Amorn Pakorn . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 793 "13C chemical shifts" 585 "15N chemical shifts" 146 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-03-04 update author 'update entry citation' 2012-11-05 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 7131 'Solution structure of IGF2R domain 11' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'An exon splice enhancer primes IGF2:IGF2R binding site structure and function evolution' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 23197533 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Williams Christopher . . 2 Hoppe Hans . . 3 Rezgui Dellel . . 4 Strickland Madeline . . 5 Frago Susana . . 6 Ellis Rosamund Z. . 7 Wattana-Amorn Pakorn . . 8 Prince Stuart N. . 9 Zaccheo Oliver J. . 10 Forbes Briony E. . 11 Jones E. Yvonne . 12 Crump Matthew P. . 13 Hassan A. Bassim . 14 Grutzner Frank . . 15 Nolan Catherine M. . 16 Mungall Andrew J. . stop_ _Journal_abbreviation Science _Journal_volume 338 _Journal_issue 6111 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1209 _Page_last 1213 _Year 2012 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name M6P/IGF2_receptor _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label M6P/IGF2_receptor $M6P_IGF2_receptor 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_M6P_IGF2_receptor _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 15298.419 _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 140 _Mol_residue_sequence ; MVQDNCQVTNPATGYVFDLN SLKRESGYTISDIRKGSIRL GVCGEVKDCGPGIGACFEGT GIKAGKWNQKLSYVDQVLQL VYEDGDPCPANLHLKYKSVI SFVCKSDAGPTSQPLLLSVD EHTCTLFFSWHTSLACEQEV ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1489 MET 2 1490 VAL 3 1491 GLN 4 1492 ASP 5 1493 ASN 6 1494 CYS 7 1495 GLN 8 1496 VAL 9 1497 THR 10 1498 ASN 11 1499 PRO 12 1500 ALA 13 1501 THR 14 1502 GLY 15 1503 TYR 16 1504 VAL 17 1505 PHE 18 1506 ASP 19 1507 LEU 20 1508 ASN 21 1509 SER 22 1510 LEU 23 1511 LYS 24 1512 ARG 25 1513 GLU 26 1514 SER 27 1515 GLY 28 1516 TYR 29 1517 THR 30 1518 ILE 31 1519 SER 32 1520 ASP 33 1521 ILE 34 1522 ARG 35 1523 LYS 36 1524 GLY 37 1525 SER 38 1526 ILE 39 1527 ARG 40 1528 LEU 41 1529 GLY 42 1530 VAL 43 1531 CYS 44 1532 GLY 45 1533 GLU 46 1534 VAL 47 1535 LYS 48 1536 ASP 49 1537 CYS 50 1538 GLY 51 1539 PRO 52 1540 GLY 53 1541 ILE 54 1542 GLY 55 1543 ALA 56 1544 CYS 57 1545 PHE 58 1546 GLU 59 1547 GLY 60 1548 THR 61 1549 GLY 62 1550 ILE 63 1551 LYS 64 1552 ALA 65 1553 GLY 66 1554 LYS 67 1555 TRP 68 1556 ASN 69 1557 GLN 70 1558 LYS 71 1559 LEU 72 1560 SER 73 1561 TYR 74 1562 VAL 75 1563 ASP 76 1564 GLN 77 1565 VAL 78 1566 LEU 79 1567 GLN 80 1568 LEU 81 1569 VAL 82 1570 TYR 83 1571 GLU 84 1572 ASP 85 1573 GLY 86 1574 ASP 87 1575 PRO 88 1576 CYS 89 1577 PRO 90 1578 ALA 91 1579 ASN 92 1580 LEU 93 1581 HIS 94 1582 LEU 95 1583 LYS 96 1584 TYR 97 1585 LYS 98 1586 SER 99 1587 VAL 100 1588 ILE 101 1589 SER 102 1590 PHE 103 1591 VAL 104 1592 CYS 105 1593 LYS 106 1594 SER 107 1595 ASP 108 1596 ALA 109 1597 GLY 110 1598 PRO 111 1599 THR 112 1600 SER 113 1601 GLN 114 1602 PRO 115 1603 LEU 116 1604 LEU 117 1605 LEU 118 1606 SER 119 1607 VAL 120 1608 ASP 121 1609 GLU 122 1610 HIS 123 1611 THR 124 1612 CYS 125 1613 THR 126 1614 LEU 127 1615 PHE 128 1616 PHE 129 1617 SER 130 1618 TRP 131 1619 HIS 132 1620 THR 133 1621 SER 134 1622 LEU 135 1623 ALA 136 1624 CYS 137 1625 GLU 138 1626 GLN 139 1627 GLU 140 1628 VAL stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-03-09 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 PDB 2LLA "Nmr Solution Structure Ensemble Of Domain 11 Of The Echidna M6pIGF2R Receptor" 100.00 140 100.00 100.00 1.15e-98 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic _Details $M6P_IGF2_receptor 'Australian echidna' 9261 Eukaryota Metazoa Tachyglossus aculeatus igf2r 'Obtained from liver tissue of the echidna.' 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 $M6P_IGF2_receptor 'recombinant technology' . Escherichia coli BL21(DE3) pET26 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 'sodium azide' 100 uM 'natural abundance' 'sodium phosphate' 10 mM 'natural abundance' EDTA 1 mM 'natural abundance' D2O 7 % 'natural abundance' H2O 93 % 'natural abundance' $M6P_IGF2_receptor 0.5 mM '[U-95% 13C; U-95% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_ARIA _Saveframe_category software _Name ARIA _Version 1.2 loop_ _Vendor _Address _Electronic_address 'Linge, O'Donoghue and Nilges' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details 'Software for structural calculations from dihedral, hydrogen bond and distance restraints. RECOORD water refinement also used within the program.' save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details 'Used for processing spectra.' save_ save_TALOS _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details 'Torsion Angle Likelihood Obtained from Shift and sequence similarity - dihedral angles predicted.' save_ save_PINE _Saveframe_category software _Name PINE _Version . loop_ _Vendor _Address _Electronic_address 'Bahrami, Markley, Assadi, and Eghbalnia' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details 'Used partially for some chemical shift assignment. Assignment checked manually afterwards.' save_ save_ProcheckNMR _Saveframe_category software _Name ProcheckNMR _Version . loop_ _Vendor _Address _Electronic_address 'Laskowski and MacArthur' . . stop_ loop_ _Task refinement stop_ _Details 'Validation after each iteration of ARIA.' save_ save_VNMRJ _Saveframe_category software _Name VNMRJ _Version 2.2c loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_Analysis _Saveframe_category software _Name Analysis _Version 2.1 loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' refinement stop_ _Details 'Used to peak pick and assign all assigned atoms. Also used as a format converter.' save_ save_CS23D _Saveframe_category software _Name CS23D _Version 1.0 loop_ _Vendor _Address _Electronic_address 'Wishart DS, Arndt D, Berjanskii M, Tang P, Zhou J, Lin G.' 'Department of Computing Science, Department of Biological Sciences, University of Alberta and National Research Council, National Institute for Nanotechnology (NINT), Edmonton, AB, Canada T6G 2E8.' http://www.cs23d.ca/ stop_ loop_ _Task 'data analysis' stop_ _Details 'Online portal used to calculate 3D structure from chemical shift data. Model shown to be homologous to human domain 11 IGF2R' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details 'Room temperature probe.' save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model VNMRS600 _Field_strength 600 _Details 'Cryogenic cold-probe.' 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_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _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_H(CCO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_HNCA_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _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' 0.01 . M pH 5.50 . pH pressure 1 . atm temperature 298.15 . 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 4.78 internal indirect . . . 0.251449530 water H 1 protons ppm 4.78 internal direct . . . 1.000000000 water N 15 protons ppm 4.78 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_ _Software_label $Analysis stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D CBCA(CO)NH' '3D C(CO)NH' '3D HNCO' '3D HNCACB' '3D H(CCO)NH' '3D 1H-15N NOESY' '3D 1H-13C NOESY' '3D HNCA' 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 M6P/IGF2_receptor _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 1489 1 MET HA H 4.517 0.000 1 2 1489 1 MET HB2 H 1.633 0.000 2 3 1489 1 MET HG2 H 2.995 0.013 2 4 1489 1 MET HG3 H 2.600 0.008 2 5 1489 1 MET HE H 1.494 0.000 1 6 1489 1 MET C C 175.293 0.000 1 7 1489 1 MET CB C 31.737 0.025 1 8 1489 1 MET CG C 31.980 0.061 1 9 1489 1 MET CE C 18.839 0.000 1 10 1490 2 VAL H H 8.259 0.007 1 11 1490 2 VAL HA H 4.141 0.005 1 12 1490 2 VAL HB H 2.007 0.014 1 13 1490 2 VAL HG1 H 0.892 0.008 2 14 1490 2 VAL HG2 H 0.901 0.003 2 15 1490 2 VAL C C 175.531 0.000 1 16 1490 2 VAL CA C 62.070 0.084 1 17 1490 2 VAL CB C 32.301 0.049 1 18 1490 2 VAL CG1 C 20.655 0.044 2 19 1490 2 VAL CG2 C 20.565 0.117 2 20 1490 2 VAL N N 122.098 0.132 1 21 1491 3 GLN H H 8.521 0.006 1 22 1491 3 GLN HA H 4.370 0.003 1 23 1491 3 GLN HB2 H 2.093 0.009 2 24 1491 3 GLN HB3 H 1.962 0.003 2 25 1491 3 GLN HG2 H 2.323 0.005 2 26 1491 3 GLN HG3 H 2.316 0.001 2 27 1491 3 GLN HE21 H 6.854 0.014 2 28 1491 3 GLN HE22 H 7.532 0.006 2 29 1491 3 GLN C C 175.147 0.000 1 30 1491 3 GLN CA C 55.166 0.075 1 31 1491 3 GLN CB C 29.406 0.129 1 32 1491 3 GLN CG C 33.437 0.111 1 33 1491 3 GLN CD C 180.611 0.005 1 34 1491 3 GLN N N 125.334 0.100 1 35 1491 3 GLN NE2 N 113.235 0.276 1 36 1492 4 ASP H H 8.435 0.008 1 37 1492 4 ASP HA H 4.647 0.004 1 38 1492 4 ASP HB2 H 2.615 0.006 2 39 1492 4 ASP HB3 H 2.495 0.004 2 40 1492 4 ASP C C 175.819 0.000 1 41 1492 4 ASP CA C 53.595 0.040 1 42 1492 4 ASP CB C 40.465 0.068 1 43 1492 4 ASP N N 123.155 0.096 1 44 1493 5 ASN H H 8.667 0.005 1 45 1493 5 ASN HA H 4.663 0.003 1 46 1493 5 ASN HB2 H 2.800 0.005 2 47 1493 5 ASN HB3 H 2.622 0.008 2 48 1493 5 ASN HD21 H 6.519 0.006 2 49 1493 5 ASN HD22 H 7.269 0.005 2 50 1493 5 ASN C C 174.556 0.000 1 51 1493 5 ASN CA C 52.283 0.142 1 52 1493 5 ASN CB C 38.144 0.101 1 53 1493 5 ASN N N 119.199 0.139 1 54 1493 5 ASN ND2 N 110.693 0.044 1 55 1494 6 CYS H H 9.317 0.004 1 56 1494 6 CYS HA H 3.773 0.006 1 57 1494 6 CYS HB2 H 3.663 0.011 2 58 1494 6 CYS HB3 H 3.026 0.005 2 59 1494 6 CYS C C 171.544 0.000 1 60 1494 6 CYS CA C 59.248 0.082 1 61 1494 6 CYS CB C 40.675 0.092 1 62 1494 6 CYS N N 122.714 0.119 1 63 1495 7 GLN H H 7.447 0.005 1 64 1495 7 GLN HA H 5.265 0.007 1 65 1495 7 GLN HB2 H 2.097 0.006 2 66 1495 7 GLN HB3 H 1.836 0.005 2 67 1495 7 GLN HG2 H 2.073 0.005 2 68 1495 7 GLN HG3 H 2.060 0.006 2 69 1495 7 GLN HE21 H 6.589 0.003 2 70 1495 7 GLN HE22 H 6.966 0.005 2 71 1495 7 GLN C C 174.661 0.000 1 72 1495 7 GLN CA C 53.536 0.094 1 73 1495 7 GLN CB C 33.037 0.138 1 74 1495 7 GLN CG C 33.040 0.071 1 75 1495 7 GLN N N 113.024 0.109 1 76 1495 7 GLN NE2 N 110.917 0.038 1 77 1496 8 VAL H H 8.689 0.005 1 78 1496 8 VAL HA H 4.547 0.004 1 79 1496 8 VAL HB H 2.086 0.004 1 80 1496 8 VAL HG1 H 0.722 0.006 2 81 1496 8 VAL HG2 H 1.270 0.003 2 82 1496 8 VAL C C 171.560 0.000 1 83 1496 8 VAL CA C 60.835 0.067 1 84 1496 8 VAL CB C 33.571 0.040 1 85 1496 8 VAL CG1 C 20.146 0.081 2 86 1496 8 VAL CG2 C 22.869 0.071 2 87 1496 8 VAL N N 120.597 0.094 1 88 1497 9 THR H H 7.846 0.005 1 89 1497 9 THR HA H 5.411 0.006 1 90 1497 9 THR HB H 3.710 0.006 1 91 1497 9 THR HG2 H 0.830 0.002 1 92 1497 9 THR C C 175.064 0.000 1 93 1497 9 THR CA C 59.926 0.092 1 94 1497 9 THR CB C 70.303 0.110 1 95 1497 9 THR CG2 C 21.093 0.053 1 96 1497 9 THR N N 121.069 0.132 1 97 1498 10 ASN H H 8.541 0.008 1 98 1498 10 ASN HA H 4.233 0.005 1 99 1498 10 ASN HB2 H 3.209 0.008 2 100 1498 10 ASN HB3 H 2.422 0.008 2 101 1498 10 ASN HD21 H 7.203 0.006 2 102 1498 10 ASN HD22 H 9.548 0.007 2 103 1498 10 ASN CA C 53.685 0.000 1 104 1498 10 ASN CB C 37.871 0.049 1 105 1498 10 ASN N N 122.492 0.098 1 106 1498 10 ASN ND2 N 118.678 0.105 1 107 1499 11 PRO HA H 4.190 0.005 1 108 1499 11 PRO HB2 H 2.313 0.003 2 109 1499 11 PRO HB3 H 1.965 0.006 2 110 1499 11 PRO HG2 H 2.085 0.004 2 111 1499 11 PRO HG3 H 2.076 0.004 2 112 1499 11 PRO HD2 H 4.115 0.004 2 113 1499 11 PRO HD3 H 3.779 0.004 2 114 1499 11 PRO C C 177.793 0.000 1 115 1499 11 PRO CA C 63.571 0.086 1 116 1499 11 PRO CB C 31.566 0.005 1 117 1499 11 PRO CG C 26.642 0.084 1 118 1499 11 PRO CD C 50.571 0.138 1 119 1500 12 ALA H H 7.709 0.004 1 120 1500 12 ALA HA H 4.224 0.009 1 121 1500 12 ALA HB H 1.473 0.006 1 122 1500 12 ALA C C 178.878 0.000 1 123 1500 12 ALA CA C 53.566 0.067 1 124 1500 12 ALA CB C 19.105 0.088 1 125 1500 12 ALA N N 118.462 0.107 1 126 1501 13 THR H H 6.716 0.004 1 127 1501 13 THR HA H 4.471 0.008 1 128 1501 13 THR HB H 4.322 0.006 1 129 1501 13 THR HG2 H 1.087 0.002 1 130 1501 13 THR C C 176.373 0.000 1 131 1501 13 THR CA C 60.251 0.080 1 132 1501 13 THR CB C 70.928 0.037 1 133 1501 13 THR CG2 C 20.874 0.072 1 134 1501 13 THR N N 103.957 0.128 1 135 1502 14 GLY H H 8.702 0.005 1 136 1502 14 GLY HA2 H 4.101 0.005 2 137 1502 14 GLY HA3 H 3.372 0.004 2 138 1502 14 GLY C C 173.093 0.000 1 139 1502 14 GLY CA C 44.640 0.076 1 140 1502 14 GLY N N 112.614 0.072 1 141 1503 15 TYR H H 7.685 0.004 1 142 1503 15 TYR HA H 3.711 0.004 1 143 1503 15 TYR HB2 H 2.751 0.009 2 144 1503 15 TYR HB3 H 2.144 0.012 2 145 1503 15 TYR HD1 H 5.921 0.004 3 146 1503 15 TYR HD2 H 5.921 0.004 3 147 1503 15 TYR HE1 H 6.345 0.005 3 148 1503 15 TYR HE2 H 6.345 0.005 3 149 1503 15 TYR C C 173.597 0.000 1 150 1503 15 TYR CA C 59.547 0.061 1 151 1503 15 TYR CB C 39.131 0.094 1 152 1503 15 TYR CD1 C 132.463 0.037 3 153 1503 15 TYR CD2 C 132.463 0.037 3 154 1503 15 TYR CE1 C 117.995 0.000 3 155 1503 15 TYR CE2 C 117.995 0.000 3 156 1503 15 TYR N N 123.797 0.038 1 157 1504 16 VAL H H 7.031 0.005 1 158 1504 16 VAL HA H 3.947 0.006 1 159 1504 16 VAL HB H 1.500 0.006 1 160 1504 16 VAL HG1 H 0.510 0.004 2 161 1504 16 VAL HG2 H 0.715 0.005 2 162 1504 16 VAL C C 174.660 0.000 1 163 1504 16 VAL CA C 61.192 0.100 1 164 1504 16 VAL CB C 32.096 0.047 1 165 1504 16 VAL CG1 C 20.577 0.067 2 166 1504 16 VAL CG2 C 20.233 0.099 2 167 1504 16 VAL N N 127.451 0.087 1 168 1505 17 PHE H H 9.081 0.006 1 169 1505 17 PHE HA H 4.559 0.006 1 170 1505 17 PHE HB2 H 2.864 0.011 2 171 1505 17 PHE HB3 H 2.668 0.005 2 172 1505 17 PHE HD1 H 7.356 0.008 3 173 1505 17 PHE HD2 H 7.356 0.008 3 174 1505 17 PHE HE1 H 7.239 0.000 3 175 1505 17 PHE HE2 H 7.239 0.000 3 176 1505 17 PHE HZ H 6.789 0.004 1 177 1505 17 PHE C C 175.016 0.000 1 178 1505 17 PHE CA C 56.406 0.072 1 179 1505 17 PHE CB C 39.957 0.149 1 180 1505 17 PHE CD1 C 132.216 0.189 3 181 1505 17 PHE CD2 C 132.216 0.189 3 182 1505 17 PHE CZ C 130.411 0.014 1 183 1505 17 PHE N N 127.681 0.106 1 184 1506 18 ASP H H 8.533 0.007 1 185 1506 18 ASP HA H 4.889 0.007 1 186 1506 18 ASP HB2 H 2.910 0.009 2 187 1506 18 ASP HB3 H 2.221 0.007 2 188 1506 18 ASP C C 176.731 0.000 1 189 1506 18 ASP CA C 52.741 0.112 1 190 1506 18 ASP CB C 42.991 0.109 1 191 1506 18 ASP N N 121.519 0.073 1 192 1507 19 LEU H H 7.988 0.005 1 193 1507 19 LEU HA H 4.326 0.005 1 194 1507 19 LEU HB2 H 1.293 0.003 2 195 1507 19 LEU HB3 H 1.250 0.009 2 196 1507 19 LEU HG H 0.867 0.007 1 197 1507 19 LEU HD1 H -0.110 0.006 2 198 1507 19 LEU HD2 H -0.456 0.004 2 199 1507 19 LEU C C 177.282 0.000 1 200 1507 19 LEU CA C 53.292 0.118 1 201 1507 19 LEU CB C 40.198 0.061 1 202 1507 19 LEU CG C 26.433 0.072 1 203 1507 19 LEU CD1 C 21.970 0.047 2 204 1507 19 LEU CD2 C 23.822 0.057 2 205 1507 19 LEU N N 126.159 0.038 1 206 1508 20 ASN H H 8.912 0.009 1 207 1508 20 ASN HA H 3.993 0.006 1 208 1508 20 ASN HB2 H 3.007 0.006 2 209 1508 20 ASN HB3 H 2.365 0.007 2 210 1508 20 ASN HD21 H 6.995 0.005 2 211 1508 20 ASN HD22 H 8.862 0.003 2 212 1508 20 ASN C C 178.287 0.000 1 213 1508 20 ASN CA C 58.311 0.055 1 214 1508 20 ASN CB C 38.729 0.113 1 215 1508 20 ASN N N 119.940 0.063 1 216 1508 20 ASN ND2 N 116.949 0.063 1 217 1509 21 SER H H 8.777 0.006 1 218 1509 21 SER HA H 4.148 0.008 1 219 1509 21 SER HB2 H 3.917 0.011 2 220 1509 21 SER HB3 H 3.766 0.005 2 221 1509 21 SER HG H 4.718 0.000 1 222 1509 21 SER C C 175.357 0.000 1 223 1509 21 SER CA C 60.486 0.092 1 224 1509 21 SER CB C 61.675 0.108 1 225 1509 21 SER N N 114.888 0.066 1 226 1510 22 LEU H H 7.760 0.004 1 227 1510 22 LEU HA H 4.364 0.003 1 228 1510 22 LEU HB2 H 1.672 0.005 2 229 1510 22 LEU HB3 H 1.352 0.002 2 230 1510 22 LEU HG H 1.146 0.005 1 231 1510 22 LEU HD1 H -0.067 0.004 2 232 1510 22 LEU HD2 H 0.590 0.004 2 233 1510 22 LEU C C 178.964 0.000 1 234 1510 22 LEU CA C 54.053 0.080 1 235 1510 22 LEU CB C 41.064 0.028 1 236 1510 22 LEU CG C 24.042 0.124 1 237 1510 22 LEU CD1 C 24.753 0.091 2 238 1510 22 LEU CD2 C 20.855 0.052 2 239 1510 22 LEU N N 119.955 0.071 1 240 1511 23 LYS H H 7.534 0.006 1 241 1511 23 LYS HA H 4.123 0.002 1 242 1511 23 LYS HB2 H 1.751 0.008 2 243 1511 23 LYS HB3 H 1.747 0.001 2 244 1511 23 LYS HG2 H 1.450 0.000 2 245 1511 23 LYS HG3 H 1.430 0.015 2 246 1511 23 LYS HD2 H 1.662 0.000 2 247 1511 23 LYS HD3 H 1.659 0.003 2 248 1511 23 LYS C C 176.857 0.000 1 249 1511 23 LYS CA C 58.011 0.053 1 250 1511 23 LYS CB C 32.260 0.026 1 251 1511 23 LYS CG C 25.149 0.000 1 252 1511 23 LYS CD C 29.297 0.002 1 253 1511 23 LYS N N 122.004 0.043 1 254 1512 24 ARG H H 8.077 0.003 1 255 1512 24 ARG HA H 4.490 0.004 1 256 1512 24 ARG HB2 H 1.897 0.007 2 257 1512 24 ARG HB3 H 1.637 0.004 2 258 1512 24 ARG HG2 H 1.489 0.004 2 259 1512 24 ARG HG3 H 1.315 0.006 2 260 1512 24 ARG HD2 H 2.826 0.013 2 261 1512 24 ARG HD3 H 2.630 0.002 2 262 1512 24 ARG C C 177.132 0.000 1 263 1512 24 ARG CA C 55.301 0.060 1 264 1512 24 ARG CB C 31.788 0.024 1 265 1512 24 ARG CG C 25.182 0.029 1 266 1512 24 ARG CD C 43.183 0.034 1 267 1512 24 ARG N N 121.248 0.048 1 268 1513 25 GLU H H 9.281 0.007 1 269 1513 25 GLU HA H 4.015 0.007 1 270 1513 25 GLU HB2 H 1.963 0.008 2 271 1513 25 GLU HB3 H 1.950 0.001 2 272 1513 25 GLU HG2 H 2.206 0.000 2 273 1513 25 GLU HG3 H 2.198 0.010 2 274 1513 25 GLU C C 177.550 0.000 1 275 1513 25 GLU CA C 59.394 0.101 1 276 1513 25 GLU CB C 28.868 0.066 1 277 1513 25 GLU CG C 35.694 0.080 1 278 1513 25 GLU N N 129.869 0.108 1 279 1514 26 SER H H 8.199 0.004 1 280 1514 26 SER HA H 4.191 0.004 1 281 1514 26 SER HB2 H 3.822 0.003 2 282 1514 26 SER HB3 H 3.741 0.001 2 283 1514 26 SER C C 175.402 0.000 1 284 1514 26 SER CA C 58.623 0.070 1 285 1514 26 SER CB C 62.948 0.075 1 286 1514 26 SER N N 111.318 0.095 1 287 1515 27 GLY H H 7.452 0.004 1 288 1515 27 GLY HA2 H 3.817 0.008 2 289 1515 27 GLY HA3 H 3.728 0.005 2 290 1515 27 GLY C C 170.822 0.000 1 291 1515 27 GLY CA C 45.259 0.069 1 292 1515 27 GLY N N 108.538 0.044 1 293 1516 28 TYR H H 9.226 0.005 1 294 1516 28 TYR HA H 4.547 0.008 1 295 1516 28 TYR HB2 H 2.672 0.009 2 296 1516 28 TYR HB3 H 2.561 0.008 2 297 1516 28 TYR HD1 H 7.222 0.007 3 298 1516 28 TYR HD2 H 7.222 0.007 3 299 1516 28 TYR HE1 H 7.073 0.000 3 300 1516 28 TYR HE2 H 7.073 0.000 3 301 1516 28 TYR C C 175.052 0.000 1 302 1516 28 TYR CA C 57.118 0.137 1 303 1516 28 TYR CB C 40.216 0.107 1 304 1516 28 TYR CD1 C 132.693 0.087 3 305 1516 28 TYR CD2 C 132.693 0.087 3 306 1516 28 TYR CE1 C 117.446 0.016 3 307 1516 28 TYR CE2 C 117.446 0.016 3 308 1516 28 TYR N N 121.771 0.104 1 309 1517 29 THR H H 8.868 0.008 1 310 1517 29 THR HA H 5.089 0.007 1 311 1517 29 THR HB H 3.866 0.005 1 312 1517 29 THR HG2 H 1.007 0.003 1 313 1517 29 THR C C 173.863 0.000 1 314 1517 29 THR CA C 61.404 0.139 1 315 1517 29 THR CB C 69.487 0.053 1 316 1517 29 THR CG2 C 21.294 0.037 1 317 1517 29 THR N N 119.852 0.065 1 318 1518 30 ILE H H 9.513 0.012 1 319 1518 30 ILE HA H 4.247 0.006 1 320 1518 30 ILE HB H 1.711 0.010 1 321 1518 30 ILE HG12 H 1.244 0.007 2 322 1518 30 ILE HG13 H 0.901 0.005 2 323 1518 30 ILE HG2 H 0.908 0.007 1 324 1518 30 ILE HD1 H 0.573 0.006 1 325 1518 30 ILE C C 174.560 0.000 1 326 1518 30 ILE CA C 59.863 0.117 1 327 1518 30 ILE CB C 41.205 0.175 1 328 1518 30 ILE CG1 C 27.702 0.070 1 329 1518 30 ILE CG2 C 18.464 0.042 1 330 1518 30 ILE CD1 C 15.808 0.084 1 331 1518 30 ILE N N 130.393 0.106 1 332 1519 31 SER H H 8.832 0.005 1 333 1519 31 SER HA H 4.712 0.002 1 334 1519 31 SER HB2 H 3.741 0.002 2 335 1519 31 SER HB3 H 3.644 0.006 2 336 1519 31 SER C C 173.554 0.000 1 337 1519 31 SER CA C 56.451 0.064 1 338 1519 31 SER CB C 62.849 0.101 1 339 1519 31 SER N N 122.821 0.103 1 340 1520 32 ASP H H 8.270 0.006 1 341 1520 32 ASP HA H 4.858 0.011 1 342 1520 32 ASP HB2 H 2.747 0.009 2 343 1520 32 ASP HB3 H 2.394 0.005 2 344 1520 32 ASP C C 177.146 0.000 1 345 1520 32 ASP CA C 53.253 0.042 1 346 1520 32 ASP CB C 45.496 0.057 1 347 1520 32 ASP N N 127.427 0.099 1 348 1521 33 ILE H H 8.689 0.006 1 349 1521 33 ILE HA H 3.922 0.005 1 350 1521 33 ILE HB H 1.869 0.004 1 351 1521 33 ILE HG12 H 1.433 0.006 2 352 1521 33 ILE HG13 H 1.248 0.008 2 353 1521 33 ILE HG2 H 0.906 0.005 1 354 1521 33 ILE HD1 H 0.855 0.005 1 355 1521 33 ILE C C 176.314 0.000 1 356 1521 33 ILE CA C 63.289 0.065 1 357 1521 33 ILE CB C 37.791 0.114 1 358 1521 33 ILE CG1 C 27.640 0.055 1 359 1521 33 ILE CG2 C 17.310 0.137 1 360 1521 33 ILE CD1 C 13.116 0.042 1 361 1521 33 ILE N N 126.777 0.118 1 362 1522 34 ARG H H 8.051 0.004 1 363 1522 34 ARG HA H 4.360 0.008 1 364 1522 34 ARG HB2 H 1.852 0.000 2 365 1522 34 ARG HB3 H 1.840 0.009 2 366 1522 34 ARG HG2 H 1.623 0.009 2 367 1522 34 ARG HG3 H 1.617 0.012 2 368 1522 34 ARG HD2 H 3.218 0.006 2 369 1522 34 ARG HD3 H 3.122 0.009 2 370 1522 34 ARG C C 178.512 0.000 1 371 1522 34 ARG CA C 57.133 0.067 1 372 1522 34 ARG CB C 30.796 0.106 1 373 1522 34 ARG CG C 27.054 0.042 1 374 1522 34 ARG CD C 42.678 0.059 1 375 1522 34 ARG N N 119.541 0.082 1 376 1523 35 LYS H H 9.077 0.010 1 377 1523 35 LYS HA H 4.371 0.005 1 378 1523 35 LYS HB2 H 2.086 0.002 2 379 1523 35 LYS HB3 H 1.960 0.009 2 380 1523 35 LYS HG2 H 1.440 0.000 2 381 1523 35 LYS HG3 H 1.296 0.011 2 382 1523 35 LYS HD2 H 1.588 0.018 2 383 1523 35 LYS HD3 H 1.448 0.009 2 384 1523 35 LYS HE2 H 2.810 0.000 2 385 1523 35 LYS HE3 H 2.737 0.006 2 386 1523 35 LYS C C 176.514 0.000 1 387 1523 35 LYS CA C 54.238 0.140 1 388 1523 35 LYS CB C 29.502 0.089 1 389 1523 35 LYS CG C 24.393 0.058 1 390 1523 35 LYS CD C 27.510 0.121 1 391 1523 35 LYS CE C 41.527 0.045 1 392 1523 35 LYS N N 117.253 0.125 1 393 1524 36 GLY H H 8.093 0.005 1 394 1524 36 GLY HA2 H 4.289 0.010 2 395 1524 36 GLY HA3 H 3.809 0.014 2 396 1524 36 GLY C C 172.876 0.000 1 397 1524 36 GLY CA C 44.337 0.091 1 398 1524 36 GLY N N 110.352 0.063 1 399 1525 37 SER H H 8.365 0.007 1 400 1525 37 SER HA H 5.092 0.003 1 401 1525 37 SER HB2 H 3.740 0.003 2 402 1525 37 SER HB3 H 3.685 0.011 2 403 1525 37 SER C C 174.994 0.000 1 404 1525 37 SER CA C 57.983 0.163 1 405 1525 37 SER CB C 63.237 0.055 1 406 1525 37 SER N N 115.637 0.146 1 407 1526 38 ILE H H 9.466 0.007 1 408 1526 38 ILE HA H 4.620 0.007 1 409 1526 38 ILE HB H 1.609 0.010 1 410 1526 38 ILE HG12 H 1.483 0.008 2 411 1526 38 ILE HG13 H 0.578 0.014 2 412 1526 38 ILE HG2 H 0.624 0.008 1 413 1526 38 ILE HD1 H 0.591 0.005 1 414 1526 38 ILE C C 174.335 0.000 1 415 1526 38 ILE CA C 59.533 0.048 1 416 1526 38 ILE CB C 41.516 0.049 1 417 1526 38 ILE CG1 C 27.550 0.140 1 418 1526 38 ILE CG2 C 16.877 0.064 1 419 1526 38 ILE CD1 C 15.119 0.155 1 420 1526 38 ILE N N 130.419 0.105 1 421 1527 39 ARG H H 8.887 0.008 1 422 1527 39 ARG HA H 5.204 0.006 1 423 1527 39 ARG HB2 H 1.749 0.003 2 424 1527 39 ARG HB3 H 1.613 0.003 2 425 1527 39 ARG HG2 H 1.372 0.005 2 426 1527 39 ARG HG3 H 1.341 0.006 2 427 1527 39 ARG HD2 H 3.027 0.006 2 428 1527 39 ARG HD3 H 3.024 0.004 2 429 1527 39 ARG C C 174.748 0.000 1 430 1527 39 ARG CA C 52.242 0.125 1 431 1527 39 ARG CB C 30.930 0.060 1 432 1527 39 ARG CG C 26.484 0.072 1 433 1527 39 ARG CD C 41.291 0.086 1 434 1527 39 ARG N N 126.542 0.099 1 435 1528 40 LEU H H 8.789 0.006 1 436 1528 40 LEU HA H 5.072 0.005 1 437 1528 40 LEU HB2 H 1.333 0.008 2 438 1528 40 LEU HB3 H 0.888 0.005 2 439 1528 40 LEU HG H 1.234 0.005 1 440 1528 40 LEU HD1 H -0.019 0.003 2 441 1528 40 LEU HD2 H 0.238 0.003 2 442 1528 40 LEU C C 174.751 0.000 1 443 1528 40 LEU CA C 53.708 0.104 1 444 1528 40 LEU CB C 46.874 0.084 1 445 1528 40 LEU CG C 25.985 0.001 1 446 1528 40 LEU CD1 C 24.504 0.085 2 447 1528 40 LEU CD2 C 22.957 0.069 2 448 1528 40 LEU N N 123.458 0.090 1 449 1529 41 GLY H H 9.220 0.004 1 450 1529 41 GLY HA2 H 4.719 0.004 2 451 1529 41 GLY HA3 H 3.575 0.006 2 452 1529 41 GLY C C 173.998 0.000 1 453 1529 41 GLY CA C 42.952 0.109 1 454 1529 41 GLY N N 114.318 0.060 1 455 1530 42 VAL H H 8.842 0.006 1 456 1530 42 VAL HA H 3.849 0.004 1 457 1530 42 VAL HB H 1.845 0.006 1 458 1530 42 VAL HG1 H 0.695 0.005 2 459 1530 42 VAL HG2 H 0.912 0.003 2 460 1530 42 VAL C C 174.582 0.000 1 461 1530 42 VAL CA C 62.163 0.070 1 462 1530 42 VAL CB C 32.675 0.057 1 463 1530 42 VAL CG1 C 20.553 0.138 2 464 1530 42 VAL CG2 C 22.641 0.113 2 465 1530 42 VAL N N 123.209 0.074 1 466 1531 43 CYS H H 7.977 0.005 1 467 1531 43 CYS HA H 4.358 0.006 1 468 1531 43 CYS HB2 H 4.242 0.007 2 469 1531 43 CYS HB3 H 2.911 0.004 2 470 1531 43 CYS C C 170.804 0.000 1 471 1531 43 CYS CA C 55.314 0.073 1 472 1531 43 CYS CB C 42.066 0.093 1 473 1531 43 CYS N N 118.962 0.098 1 474 1532 44 GLY H H 6.518 0.007 1 475 1532 44 GLY HA2 H 2.923 0.007 2 476 1532 44 GLY HA3 H 1.945 0.005 2 477 1532 44 GLY C C 169.136 0.000 1 478 1532 44 GLY CA C 44.268 0.072 1 479 1532 44 GLY N N 100.034 0.051 1 480 1533 45 GLU H H 6.595 0.006 1 481 1533 45 GLU HA H 3.471 0.004 1 482 1533 45 GLU HB2 H 1.625 0.011 2 483 1533 45 GLU HB3 H 1.408 0.007 2 484 1533 45 GLU HG2 H 1.953 0.005 2 485 1533 45 GLU HG3 H 1.735 0.007 2 486 1533 45 GLU C C 176.920 0.000 1 487 1533 45 GLU CA C 54.835 0.074 1 488 1533 45 GLU CB C 31.446 0.047 1 489 1533 45 GLU CG C 36.270 0.081 1 490 1533 45 GLU N N 115.993 0.114 1 491 1534 46 VAL H H 8.079 0.010 1 492 1534 46 VAL HA H 4.189 0.008 1 493 1534 46 VAL HB H 1.552 0.006 1 494 1534 46 VAL HG1 H 0.647 0.008 2 495 1534 46 VAL HG2 H 0.655 0.002 2 496 1534 46 VAL C C 176.531 0.000 1 497 1534 46 VAL CA C 59.923 0.036 1 498 1534 46 VAL CB C 31.443 0.054 1 499 1534 46 VAL CG1 C 21.187 0.114 2 500 1534 46 VAL CG2 C 22.048 0.130 2 501 1534 46 VAL N N 123.602 0.093 1 502 1535 47 LYS H H 8.623 0.006 1 503 1535 47 LYS HA H 3.805 0.003 1 504 1535 47 LYS HB2 H 1.689 0.004 2 505 1535 47 LYS HB3 H 1.676 0.005 2 506 1535 47 LYS HG2 H 1.316 0.001 2 507 1535 47 LYS HG3 H 1.313 0.001 2 508 1535 47 LYS HD2 H 1.540 0.002 2 509 1535 47 LYS HD3 H 1.530 0.009 2 510 1535 47 LYS HE2 H 2.857 0.005 2 511 1535 47 LYS HE3 H 2.803 0.000 2 512 1535 47 LYS C C 178.803 0.000 1 513 1535 47 LYS CA C 59.645 0.060 1 514 1535 47 LYS CB C 31.525 0.067 1 515 1535 47 LYS CG C 24.096 0.096 1 516 1535 47 LYS CD C 28.456 0.042 1 517 1535 47 LYS CE C 41.445 0.054 1 518 1535 47 LYS N N 129.580 0.017 1 519 1536 48 ASP H H 8.789 0.008 1 520 1536 48 ASP HA H 4.280 0.005 1 521 1536 48 ASP HB2 H 2.626 0.002 2 522 1536 48 ASP HB3 H 2.217 0.004 2 523 1536 48 ASP C C 177.622 0.000 1 524 1536 48 ASP CA C 55.342 0.103 1 525 1536 48 ASP CB C 39.404 0.076 1 526 1536 48 ASP N N 116.382 0.073 1 527 1537 49 CYS H H 7.930 0.004 1 528 1537 49 CYS HA H 4.635 0.005 1 529 1537 49 CYS HB2 H 3.033 0.009 2 530 1537 49 CYS HB3 H 2.917 0.003 2 531 1537 49 CYS C C 174.857 0.000 1 532 1537 49 CYS CA C 53.394 0.048 1 533 1537 49 CYS CB C 37.868 0.147 1 534 1537 49 CYS N N 115.954 0.061 1 535 1538 50 GLY H H 7.209 0.003 1 536 1538 50 GLY HA2 H 4.391 0.008 2 537 1538 50 GLY HA3 H 3.834 0.008 2 538 1538 50 GLY CA C 43.190 0.055 1 539 1538 50 GLY N N 109.957 0.087 1 540 1539 51 PRO HA H 4.334 0.007 1 541 1539 51 PRO HB2 H 2.228 0.007 2 542 1539 51 PRO HB3 H 1.880 0.008 2 543 1539 51 PRO HG2 H 2.090 0.005 2 544 1539 51 PRO HG3 H 1.954 0.006 2 545 1539 51 PRO HD2 H 3.640 0.008 2 546 1539 51 PRO HD3 H 3.492 0.006 2 547 1539 51 PRO C C 179.476 0.000 1 548 1539 51 PRO CA C 63.235 0.055 1 549 1539 51 PRO CB C 30.918 0.072 1 550 1539 51 PRO CG C 27.239 0.104 1 551 1539 51 PRO CD C 49.292 0.075 1 552 1540 52 GLY H H 9.757 0.006 1 553 1540 52 GLY HA2 H 4.217 0.005 2 554 1540 52 GLY HA3 H 3.810 0.005 2 555 1540 52 GLY C C 174.933 0.000 1 556 1540 52 GLY CA C 45.310 0.083 1 557 1540 52 GLY N N 113.722 0.062 1 558 1541 53 ILE H H 8.065 0.005 1 559 1541 53 ILE HA H 4.261 0.008 1 560 1541 53 ILE HB H 2.052 0.011 1 561 1541 53 ILE HG12 H 1.340 0.001 2 562 1541 53 ILE HG13 H 1.330 0.003 2 563 1541 53 ILE HG2 H 1.034 0.013 1 564 1541 53 ILE HD1 H 0.593 0.004 1 565 1541 53 ILE C C 175.053 0.000 1 566 1541 53 ILE CA C 59.467 0.045 1 567 1541 53 ILE CB C 34.948 0.067 1 568 1541 53 ILE CG1 C 25.606 0.001 1 569 1541 53 ILE CG2 C 21.030 0.060 1 570 1541 53 ILE CD1 C 8.729 0.041 1 571 1541 53 ILE N N 124.579 0.105 1 572 1542 54 GLY H H 9.014 0.004 1 573 1542 54 GLY HA2 H 4.383 0.008 2 574 1542 54 GLY HA3 H 3.110 0.012 2 575 1542 54 GLY C C 170.762 0.000 1 576 1542 54 GLY CA C 45.069 0.048 1 577 1542 54 GLY N N 113.124 0.060 1 578 1543 55 ALA H H 7.167 0.006 1 579 1543 55 ALA HA H 5.486 0.005 1 580 1543 55 ALA HB H 1.229 0.003 1 581 1543 55 ALA C C 176.447 0.000 1 582 1543 55 ALA CA C 50.915 0.071 1 583 1543 55 ALA CB C 21.832 0.092 1 584 1543 55 ALA N N 120.129 0.091 1 585 1544 56 CYS H H 9.152 0.006 1 586 1544 56 CYS HA H 5.067 0.008 1 587 1544 56 CYS HB2 H 3.204 0.007 2 588 1544 56 CYS HB3 H 3.050 0.006 2 589 1544 56 CYS C C 170.895 0.000 1 590 1544 56 CYS CA C 55.640 0.088 1 591 1544 56 CYS CB C 39.302 0.196 1 592 1544 56 CYS N N 114.492 0.056 1 593 1545 57 PHE H H 8.533 0.007 1 594 1545 57 PHE HA H 4.744 0.015 1 595 1545 57 PHE HB2 H 3.264 0.011 2 596 1545 57 PHE HB3 H 2.844 0.007 2 597 1545 57 PHE HD1 H 7.063 0.010 3 598 1545 57 PHE HD2 H 7.063 0.010 3 599 1545 57 PHE HE1 H 6.903 0.006 3 600 1545 57 PHE HE2 H 6.903 0.006 3 601 1545 57 PHE C C 176.569 0.000 1 602 1545 57 PHE CA C 56.625 0.082 1 603 1545 57 PHE CB C 38.919 0.061 1 604 1545 57 PHE CD1 C 131.737 0.000 3 605 1545 57 PHE CD2 C 131.737 0.000 3 606 1545 57 PHE CE1 C 130.104 0.029 3 607 1545 57 PHE CE2 C 130.104 0.029 3 608 1545 57 PHE N N 120.316 0.118 1 609 1546 58 GLU H H 8.535 0.007 1 610 1546 58 GLU HA H 4.014 0.004 1 611 1546 58 GLU HB2 H 1.994 0.004 2 612 1546 58 GLU HB3 H 1.810 0.009 2 613 1546 58 GLU HG2 H 2.111 0.000 2 614 1546 58 GLU HG3 H 2.110 0.000 2 615 1546 58 GLU C C 178.216 0.000 1 616 1546 58 GLU CA C 58.101 0.067 1 617 1546 58 GLU CB C 30.161 0.038 1 618 1546 58 GLU CG C 36.357 0.000 1 619 1546 58 GLU N N 125.570 0.127 1 620 1547 59 GLY H H 9.207 0.006 1 621 1547 59 GLY HA2 H 4.197 0.004 2 622 1547 59 GLY HA3 H 3.728 0.008 2 623 1547 59 GLY C C 175.707 0.000 1 624 1547 59 GLY CA C 46.069 0.064 1 625 1547 59 GLY N N 111.083 0.109 1 626 1548 60 THR H H 7.357 0.007 1 627 1548 60 THR HA H 4.290 0.008 1 628 1548 60 THR HB H 4.200 0.004 1 629 1548 60 THR HG2 H 1.136 0.003 1 630 1548 60 THR C C 176.618 0.000 1 631 1548 60 THR CA C 60.999 0.108 1 632 1548 60 THR CB C 69.738 0.135 1 633 1548 60 THR CG2 C 21.442 0.042 1 634 1548 60 THR N N 108.671 0.115 1 635 1549 61 GLY H H 7.732 0.007 1 636 1549 61 GLY HA2 H 4.017 0.005 2 637 1549 61 GLY HA3 H 3.819 0.005 2 638 1549 61 GLY C C 174.155 0.000 1 639 1549 61 GLY CA C 45.575 0.080 1 640 1549 61 GLY N N 110.899 0.048 1 641 1550 62 ILE H H 7.050 0.006 1 642 1550 62 ILE HA H 3.916 0.003 1 643 1550 62 ILE HB H 1.441 0.010 1 644 1550 62 ILE HG12 H 1.291 0.008 2 645 1550 62 ILE HG13 H 1.065 0.004 2 646 1550 62 ILE HG2 H 0.250 0.006 1 647 1550 62 ILE HD1 H 0.631 0.005 1 648 1550 62 ILE C C 175.962 0.000 1 649 1550 62 ILE CA C 61.224 0.057 1 650 1550 62 ILE CB C 37.795 0.056 1 651 1550 62 ILE CG1 C 27.455 0.124 1 652 1550 62 ILE CG2 C 15.896 0.071 1 653 1550 62 ILE CD1 C 11.442 0.036 1 654 1550 62 ILE N N 121.233 0.057 1 655 1551 63 LYS H H 8.877 0.005 1 656 1551 63 LYS HA H 4.093 0.007 1 657 1551 63 LYS HB2 H 1.830 0.010 2 658 1551 63 LYS HB3 H 1.800 0.005 2 659 1551 63 LYS HG2 H 1.499 0.006 2 660 1551 63 LYS HG3 H 1.491 0.002 2 661 1551 63 LYS HD2 H 1.759 0.010 2 662 1551 63 LYS HD3 H 1.667 0.012 2 663 1551 63 LYS HE2 H 3.158 0.006 2 664 1551 63 LYS HE3 H 3.063 0.005 2 665 1551 63 LYS C C 176.058 0.000 1 666 1551 63 LYS CA C 55.771 0.114 1 667 1551 63 LYS CB C 31.900 0.013 1 668 1551 63 LYS CG C 24.179 0.006 1 669 1551 63 LYS CD C 28.011 0.066 1 670 1551 63 LYS CE C 41.819 0.076 1 671 1551 63 LYS N N 130.073 0.068 1 672 1552 64 ALA H H 8.797 0.007 1 673 1552 64 ALA HA H 4.640 0.005 1 674 1552 64 ALA HB H 0.978 0.011 1 675 1552 64 ALA C C 174.461 0.000 1 676 1552 64 ALA CA C 50.382 0.103 1 677 1552 64 ALA CB C 18.236 0.083 1 678 1552 64 ALA N N 126.550 0.054 1 679 1553 65 GLY H H 6.293 0.006 1 680 1553 65 GLY HA2 H 4.526 0.004 2 681 1553 65 GLY HA3 H 3.115 0.006 2 682 1553 65 GLY C C 173.331 0.000 1 683 1553 65 GLY CA C 44.018 0.070 1 684 1553 65 GLY N N 102.684 0.085 1 685 1554 66 LYS H H 9.076 0.004 1 686 1554 66 LYS HA H 4.660 0.007 1 687 1554 66 LYS HB2 H 1.800 0.006 2 688 1554 66 LYS HB3 H 1.747 0.018 2 689 1554 66 LYS HG2 H 1.148 0.003 2 690 1554 66 LYS HG3 H 1.146 0.000 2 691 1554 66 LYS HD2 H 1.626 0.013 2 692 1554 66 LYS HD3 H 1.615 0.001 2 693 1554 66 LYS HE2 H 3.037 0.000 2 694 1554 66 LYS HE3 H 2.936 0.000 2 695 1554 66 LYS C C 176.716 0.000 1 696 1554 66 LYS CA C 55.907 0.002 1 697 1554 66 LYS CB C 32.242 0.009 1 698 1554 66 LYS CG C 25.263 0.006 1 699 1554 66 LYS CD C 29.158 0.000 1 700 1554 66 LYS CE C 41.234 0.001 1 701 1554 66 LYS N N 126.935 0.040 1 702 1555 67 TRP H H 7.161 0.007 1 703 1555 67 TRP HA H 2.669 0.006 1 704 1555 67 TRP HB2 H 2.619 0.000 2 705 1555 67 TRP HB3 H 2.048 0.006 2 706 1555 67 TRP HD1 H 6.447 0.004 1 707 1555 67 TRP HE1 H 9.651 0.000 1 708 1555 67 TRP HE3 H 6.588 0.005 1 709 1555 67 TRP C C 173.715 0.000 1 710 1555 67 TRP CA C 55.856 0.072 1 711 1555 67 TRP CB C 28.457 0.006 1 712 1555 67 TRP CE3 C 117.703 0.000 1 713 1555 67 TRP N N 120.919 0.049 1 714 1556 68 ASN H H 7.224 0.004 1 715 1556 68 ASN HA H 3.922 0.003 1 716 1556 68 ASN HB2 H 2.808 0.003 2 717 1556 68 ASN HB3 H 2.805 0.003 2 718 1556 68 ASN HD21 H 6.560 0.003 2 719 1556 68 ASN HD22 H 7.238 0.005 2 720 1556 68 ASN C C 172.800 0.000 1 721 1556 68 ASN CA C 53.117 0.057 1 722 1556 68 ASN CB C 40.145 0.037 1 723 1556 68 ASN CG C 179.394 0.035 1 724 1556 68 ASN N N 113.913 0.057 1 725 1556 68 ASN ND2 N 110.830 0.159 1 726 1557 69 GLN H H 9.051 0.006 1 727 1557 69 GLN HA H 5.285 0.006 1 728 1557 69 GLN HB2 H 2.283 0.009 2 729 1557 69 GLN HB3 H 2.148 0.003 2 730 1557 69 GLN HG2 H 2.432 0.010 2 731 1557 69 GLN HG3 H 2.150 0.010 2 732 1557 69 GLN HE21 H 6.991 0.006 2 733 1557 69 GLN HE22 H 7.643 0.005 2 734 1557 69 GLN C C 175.692 0.000 1 735 1557 69 GLN CA C 53.266 0.073 1 736 1557 69 GLN CB C 28.860 0.113 1 737 1557 69 GLN CG C 33.052 0.090 1 738 1557 69 GLN CD C 179.701 0.000 1 739 1557 69 GLN N N 116.329 0.098 1 740 1557 69 GLN NE2 N 112.460 0.189 1 741 1558 70 LYS H H 8.376 0.006 1 742 1558 70 LYS HA H 4.479 0.009 1 743 1558 70 LYS HB2 H 1.825 0.003 2 744 1558 70 LYS HB3 H 1.649 0.005 2 745 1558 70 LYS HG2 H 1.417 0.007 2 746 1558 70 LYS HG3 H 1.312 0.004 2 747 1558 70 LYS HD2 H 1.650 0.001 2 748 1558 70 LYS HD3 H 1.599 0.000 2 749 1558 70 LYS HE2 H 2.919 0.000 2 750 1558 70 LYS C C 174.365 0.000 1 751 1558 70 LYS CA C 55.093 0.161 1 752 1558 70 LYS CB C 30.402 0.102 1 753 1558 70 LYS CG C 24.217 0.018 1 754 1558 70 LYS CD C 28.722 0.002 1 755 1558 70 LYS N N 124.386 0.091 1 756 1559 71 LEU H H 8.244 0.010 1 757 1559 71 LEU HA H 4.584 0.010 1 758 1559 71 LEU HB2 H 1.590 0.010 2 759 1559 71 LEU HB3 H 0.947 0.012 2 760 1559 71 LEU HG H 1.316 0.011 1 761 1559 71 LEU HD1 H 0.484 0.007 2 762 1559 71 LEU HD2 H 0.582 0.019 2 763 1559 71 LEU C C 175.904 0.000 1 764 1559 71 LEU CA C 54.105 0.121 1 765 1559 71 LEU CB C 44.264 0.144 1 766 1559 71 LEU CG C 25.458 0.002 1 767 1559 71 LEU CD1 C 25.711 0.122 2 768 1559 71 LEU CD2 C 24.375 0.106 2 769 1559 71 LEU N N 131.073 0.076 1 770 1560 72 SER H H 8.855 0.006 1 771 1560 72 SER HA H 5.010 0.005 1 772 1560 72 SER HB2 H 3.761 0.005 2 773 1560 72 SER HB3 H 3.731 0.008 2 774 1560 72 SER C C 172.310 0.000 1 775 1560 72 SER CA C 56.837 0.048 1 776 1560 72 SER CB C 65.340 0.056 1 777 1560 72 SER N N 119.855 0.054 1 778 1561 73 TYR H H 8.912 0.006 1 779 1561 73 TYR HA H 4.828 0.006 1 780 1561 73 TYR HB2 H 3.070 0.006 2 781 1561 73 TYR HB3 H 2.576 0.006 2 782 1561 73 TYR HD1 H 6.805 0.014 3 783 1561 73 TYR HD2 H 6.805 0.014 3 784 1561 73 TYR C C 174.537 0.000 1 785 1561 73 TYR CA C 56.988 0.077 1 786 1561 73 TYR CB C 39.675 0.069 1 787 1561 73 TYR CD1 C 132.911 0.000 3 788 1561 73 TYR CD2 C 132.911 0.000 3 789 1561 73 TYR N N 126.218 0.053 1 790 1562 74 VAL H H 8.671 0.004 1 791 1562 74 VAL HA H 4.064 0.003 1 792 1562 74 VAL HB H 1.799 0.005 1 793 1562 74 VAL HG1 H 0.705 0.005 2 794 1562 74 VAL HG2 H 0.697 0.004 2 795 1562 74 VAL C C 175.076 0.000 1 796 1562 74 VAL CA C 60.169 0.066 1 797 1562 74 VAL CB C 32.827 0.061 1 798 1562 74 VAL CG1 C 19.966 0.053 2 799 1562 74 VAL CG2 C 20.022 0.057 2 800 1562 74 VAL N N 129.376 0.124 1 801 1563 75 ASP H H 8.925 0.004 1 802 1563 75 ASP HA H 4.094 0.006 1 803 1563 75 ASP HB2 H 2.740 0.007 2 804 1563 75 ASP HB3 H 2.390 0.005 2 805 1563 75 ASP C C 174.193 0.000 1 806 1563 75 ASP CA C 55.243 0.054 1 807 1563 75 ASP CB C 39.125 0.092 1 808 1563 75 ASP N N 127.346 0.080 1 809 1564 76 GLN H H 6.287 0.009 1 810 1564 76 GLN HA H 3.363 0.004 1 811 1564 76 GLN HB2 H 2.468 0.005 2 812 1564 76 GLN HB3 H 2.225 0.011 2 813 1564 76 GLN HG2 H 2.355 0.008 2 814 1564 76 GLN HG3 H 2.216 0.003 2 815 1564 76 GLN HE21 H 6.785 0.012 2 816 1564 76 GLN HE22 H 7.530 0.005 2 817 1564 76 GLN C C 174.371 0.000 1 818 1564 76 GLN CA C 58.120 0.093 1 819 1564 76 GLN CB C 27.115 0.073 1 820 1564 76 GLN CG C 34.545 0.099 1 821 1564 76 GLN CD C 181.482 0.000 1 822 1564 76 GLN N N 104.577 0.076 1 823 1564 76 GLN NE2 N 113.008 0.152 1 824 1565 77 VAL H H 7.549 0.006 1 825 1565 77 VAL HA H 4.335 0.004 1 826 1565 77 VAL HB H 1.997 0.005 1 827 1565 77 VAL HG1 H 0.813 0.017 2 828 1565 77 VAL HG2 H 0.792 0.005 2 829 1565 77 VAL C C 174.280 0.000 1 830 1565 77 VAL CA C 60.238 0.056 1 831 1565 77 VAL CB C 33.307 0.065 1 832 1565 77 VAL CG1 C 20.914 0.000 2 833 1565 77 VAL CG2 C 20.918 0.068 2 834 1565 77 VAL N N 122.165 0.112 1 835 1566 78 LEU H H 8.352 0.004 1 836 1566 78 LEU HA H 5.412 0.002 1 837 1566 78 LEU HB2 H 1.715 0.007 2 838 1566 78 LEU HB3 H 1.243 0.002 2 839 1566 78 LEU HG H 1.277 0.005 1 840 1566 78 LEU HD1 H 0.017 0.004 2 841 1566 78 LEU HD2 H 0.370 0.004 2 842 1566 78 LEU C C 177.081 0.000 1 843 1566 78 LEU CA C 51.559 0.071 1 844 1566 78 LEU CB C 41.899 0.097 1 845 1566 78 LEU CG C 26.358 0.133 1 846 1566 78 LEU CD1 C 22.370 0.096 2 847 1566 78 LEU CD2 C 25.018 0.070 2 848 1566 78 LEU N N 124.081 0.112 1 849 1567 79 GLN H H 9.041 0.004 1 850 1567 79 GLN HA H 5.987 0.005 1 851 1567 79 GLN HB2 H 1.776 0.007 2 852 1567 79 GLN HB3 H 1.653 0.008 2 853 1567 79 GLN HG2 H 2.070 0.012 2 854 1567 79 GLN HG3 H 2.005 0.010 2 855 1567 79 GLN HE21 H 6.610 0.006 2 856 1567 79 GLN HE22 H 6.895 0.008 2 857 1567 79 GLN C C 175.564 0.000 1 858 1567 79 GLN CA C 54.499 0.067 1 859 1567 79 GLN CB C 35.000 0.128 1 860 1567 79 GLN CG C 35.120 0.113 1 861 1567 79 GLN CD C 180.035 0.000 1 862 1567 79 GLN N N 122.399 0.098 1 863 1567 79 GLN NE2 N 110.308 0.123 1 864 1568 80 LEU H H 8.784 0.005 1 865 1568 80 LEU HA H 4.802 0.005 1 866 1568 80 LEU HB2 H 1.454 0.010 2 867 1568 80 LEU HB3 H 1.369 0.011 2 868 1568 80 LEU HG H 1.639 0.008 1 869 1568 80 LEU HD1 H 0.984 0.005 2 870 1568 80 LEU HD2 H 1.186 0.008 2 871 1568 80 LEU C C 174.859 0.000 1 872 1568 80 LEU CA C 53.021 0.040 1 873 1568 80 LEU CB C 46.953 0.072 1 874 1568 80 LEU CG C 25.472 0.157 1 875 1568 80 LEU CD1 C 23.224 0.063 2 876 1568 80 LEU CD2 C 25.787 0.050 2 877 1568 80 LEU N N 126.647 0.063 1 878 1569 81 VAL H H 9.613 0.004 1 879 1569 81 VAL HA H 4.824 0.007 1 880 1569 81 VAL HB H 2.029 0.004 1 881 1569 81 VAL HG1 H 0.796 0.003 2 882 1569 81 VAL HG2 H 0.883 0.006 2 883 1569 81 VAL C C 175.843 0.000 1 884 1569 81 VAL CA C 60.840 0.001 1 885 1569 81 VAL CB C 33.875 0.027 1 886 1569 81 VAL CG1 C 20.710 0.008 2 887 1569 81 VAL N N 122.678 0.120 1 888 1570 82 TYR H H 9.500 0.004 1 889 1570 82 TYR HA H 5.202 0.003 1 890 1570 82 TYR HB2 H 3.083 0.003 2 891 1570 82 TYR HB3 H 2.802 0.007 2 892 1570 82 TYR HD1 H 6.752 0.007 3 893 1570 82 TYR HD2 H 6.752 0.007 3 894 1570 82 TYR HH H 9.644 0.005 1 895 1570 82 TYR C C 174.847 0.000 1 896 1570 82 TYR CA C 51.731 0.082 1 897 1570 82 TYR CB C 37.441 0.085 1 898 1570 82 TYR CD1 C 132.995 0.000 3 899 1570 82 TYR CD2 C 132.995 0.000 3 900 1570 82 TYR N N 130.099 0.120 1 901 1571 83 GLU H H 8.795 0.005 1 902 1571 83 GLU HA H 4.891 0.008 1 903 1571 83 GLU HB2 H 2.071 0.007 2 904 1571 83 GLU HB3 H 1.915 0.017 2 905 1571 83 GLU HG2 H 2.217 0.005 2 906 1571 83 GLU HG3 H 2.079 0.003 2 907 1571 83 GLU C C 176.417 0.000 1 908 1571 83 GLU CA C 54.437 0.134 1 909 1571 83 GLU CB C 32.902 0.109 1 910 1571 83 GLU CG C 36.853 0.128 1 911 1571 83 GLU N N 123.035 0.061 1 912 1572 84 ASP H H 9.434 0.005 1 913 1572 84 ASP HA H 4.167 0.009 1 914 1572 84 ASP HB2 H 2.932 0.003 2 915 1572 84 ASP HB3 H 2.665 0.007 2 916 1572 84 ASP C C 176.332 0.000 1 917 1572 84 ASP CA C 55.626 0.081 1 918 1572 84 ASP CB C 38.200 0.068 1 919 1572 84 ASP N N 116.412 0.134 1 920 1573 85 GLY H H 8.399 0.006 1 921 1573 85 GLY HA2 H 4.110 0.006 2 922 1573 85 GLY HA3 H 3.446 0.008 2 923 1573 85 GLY C C 171.651 0.000 1 924 1573 85 GLY CA C 43.875 0.120 1 925 1573 85 GLY N N 104.457 0.100 1 926 1574 86 ASP H H 8.132 0.006 1 927 1574 86 ASP HA H 4.901 0.001 1 928 1574 86 ASP HB2 H 2.850 0.008 2 929 1574 86 ASP HB3 H 2.596 0.000 2 930 1574 86 ASP CA C 53.798 0.159 1 931 1574 86 ASP CB C 39.860 0.044 1 932 1574 86 ASP N N 119.917 0.121 1 933 1575 87 PRO HA H 4.497 0.007 1 934 1575 87 PRO HB2 H 2.387 0.004 2 935 1575 87 PRO HB3 H 1.740 0.011 2 936 1575 87 PRO HG2 H 2.124 0.011 2 937 1575 87 PRO HG3 H 1.970 0.008 2 938 1575 87 PRO HD2 H 4.499 0.009 2 939 1575 87 PRO HD3 H 3.845 0.012 2 940 1575 87 PRO C C 175.818 0.000 1 941 1575 87 PRO CA C 63.097 0.104 1 942 1575 87 PRO CB C 32.105 0.073 1 943 1575 87 PRO CG C 27.677 0.184 1 944 1575 87 PRO CD C 50.749 0.047 1 945 1576 88 CYS H H 8.201 0.005 1 946 1576 88 CYS HA H 4.847 0.009 1 947 1576 88 CYS HB2 H 3.201 0.007 2 948 1576 88 CYS HB3 H 2.034 0.007 2 949 1576 88 CYS CA C 50.831 0.026 1 950 1576 88 CYS CB C 37.657 0.083 1 951 1576 88 CYS N N 123.049 0.046 1 952 1577 89 PRO HA H 4.051 0.004 1 953 1577 89 PRO HB2 H 2.264 0.011 2 954 1577 89 PRO HB3 H 1.792 0.006 2 955 1577 89 PRO HG2 H 2.111 0.003 2 956 1577 89 PRO HG3 H 1.985 0.006 2 957 1577 89 PRO HD2 H 3.849 0.000 2 958 1577 89 PRO HD3 H 3.840 0.005 2 959 1577 89 PRO C C 177.454 0.000 1 960 1577 89 PRO CA C 65.080 0.087 1 961 1577 89 PRO CB C 31.289 0.039 1 962 1578 90 ALA H H 6.849 0.006 1 963 1578 90 ALA HA H 4.048 0.004 1 964 1578 90 ALA HB H 1.348 0.002 1 965 1578 90 ALA C C 178.166 0.000 1 966 1578 90 ALA CA C 52.730 0.059 1 967 1578 90 ALA CB C 19.484 0.060 1 968 1578 90 ALA N N 116.738 0.121 1 969 1579 91 ASN H H 7.283 0.006 1 970 1579 91 ASN HA H 4.365 0.006 1 971 1579 91 ASN HB2 H 2.814 0.004 2 972 1579 91 ASN HB3 H 2.482 0.008 2 973 1579 91 ASN HD21 H 6.974 0.008 2 974 1579 91 ASN HD22 H 7.588 0.004 2 975 1579 91 ASN C C 174.523 0.000 1 976 1579 91 ASN CA C 52.738 0.074 1 977 1579 91 ASN CB C 37.454 0.145 1 978 1579 91 ASN CG C 177.798 0.016 1 979 1579 91 ASN N N 114.568 0.097 1 980 1579 91 ASN ND2 N 111.422 0.149 1 981 1580 92 LEU H H 8.541 0.005 1 982 1580 92 LEU HA H 4.225 0.008 1 983 1580 92 LEU HB2 H 1.506 0.004 2 984 1580 92 LEU HB3 H 1.502 0.002 2 985 1580 92 LEU HG H 1.589 0.003 1 986 1580 92 LEU HD1 H 0.726 0.003 2 987 1580 92 LEU HD2 H 0.800 0.006 2 988 1580 92 LEU C C 177.983 0.000 1 989 1580 92 LEU CA C 56.432 0.044 1 990 1580 92 LEU CB C 41.075 0.119 1 991 1580 92 LEU CG C 26.638 0.071 1 992 1580 92 LEU CD1 C 23.372 0.036 2 993 1580 92 LEU CD2 C 24.615 0.076 2 994 1580 92 LEU N N 125.239 0.019 1 995 1581 93 HIS H H 8.075 0.005 1 996 1581 93 HIS HA H 4.536 0.003 1 997 1581 93 HIS HB2 H 3.230 0.007 2 998 1581 93 HIS HB3 H 3.044 0.005 2 999 1581 93 HIS HD2 H 7.176 0.000 1 1000 1581 93 HIS C C 174.950 0.000 1 1001 1581 93 HIS CA C 56.351 0.043 1 1002 1581 93 HIS CB C 28.357 0.047 1 1003 1581 93 HIS N N 116.858 0.053 1 1004 1582 94 LEU H H 8.457 0.003 1 1005 1582 94 LEU HA H 4.646 0.006 1 1006 1582 94 LEU HB2 H 1.612 0.009 2 1007 1582 94 LEU HB3 H 1.538 0.013 2 1008 1582 94 LEU HG H 1.283 0.007 1 1009 1582 94 LEU HD1 H 0.771 0.007 2 1010 1582 94 LEU HD2 H 0.812 0.008 2 1011 1582 94 LEU C C 175.730 0.000 1 1012 1582 94 LEU CA C 52.579 0.145 1 1013 1582 94 LEU CB C 42.885 0.119 1 1014 1582 94 LEU CG C 25.597 0.010 1 1015 1582 94 LEU CD1 C 21.448 0.050 2 1016 1582 94 LEU CD2 C 25.826 0.117 2 1017 1582 94 LEU N N 121.361 0.041 1 1018 1583 95 LYS H H 8.117 0.006 1 1019 1583 95 LYS HA H 4.808 0.009 1 1020 1583 95 LYS HB2 H 1.930 0.010 2 1021 1583 95 LYS HB3 H 1.925 0.000 2 1022 1583 95 LYS HG2 H 1.325 0.008 2 1023 1583 95 LYS HG3 H 1.160 0.007 2 1024 1583 95 LYS HD2 H 1.744 0.010 2 1025 1583 95 LYS HD3 H 1.609 0.009 2 1026 1583 95 LYS HE2 H 2.928 0.005 2 1027 1583 95 LYS HE3 H 2.793 0.000 2 1028 1583 95 LYS C C 176.450 0.000 1 1029 1583 95 LYS CA C 53.609 0.000 1 1030 1583 95 LYS CB C 35.356 0.008 1 1031 1583 95 LYS CG C 25.517 0.098 1 1032 1583 95 LYS CD C 28.526 0.071 1 1033 1583 95 LYS CE C 41.993 0.102 1 1034 1583 95 LYS N N 120.616 0.098 1 1035 1584 96 TYR H H 9.166 0.006 1 1036 1584 96 TYR HA H 4.821 0.004 1 1037 1584 96 TYR HB2 H 3.221 0.007 2 1038 1584 96 TYR HB3 H 2.794 0.004 2 1039 1584 96 TYR HD1 H 7.111 0.010 3 1040 1584 96 TYR HD2 H 7.111 0.010 3 1041 1584 96 TYR HE1 H 6.663 0.004 3 1042 1584 96 TYR HE2 H 6.663 0.004 3 1043 1584 96 TYR C C 175.533 0.000 1 1044 1584 96 TYR CA C 58.982 0.038 1 1045 1584 96 TYR CB C 41.703 0.050 1 1046 1584 96 TYR CD1 C 132.797 0.041 3 1047 1584 96 TYR CD2 C 132.797 0.041 3 1048 1584 96 TYR CE1 C 117.593 0.000 3 1049 1584 96 TYR CE2 C 117.593 0.000 3 1050 1584 96 TYR N N 120.878 0.111 1 1051 1585 97 LYS H H 8.336 0.007 1 1052 1585 97 LYS HA H 5.277 0.004 1 1053 1585 97 LYS HB2 H 1.859 0.004 2 1054 1585 97 LYS HB3 H 1.850 0.004 2 1055 1585 97 LYS HG2 H 1.418 0.000 2 1056 1585 97 LYS HG3 H 1.195 0.011 2 1057 1585 97 LYS HD2 H 1.587 0.000 2 1058 1585 97 LYS HD3 H 1.531 0.031 2 1059 1585 97 LYS HE2 H 2.806 0.003 2 1060 1585 97 LYS HE3 H 2.792 0.003 2 1061 1585 97 LYS C C 175.050 0.000 1 1062 1585 97 LYS CA C 53.753 0.063 1 1063 1585 97 LYS CB C 36.653 0.085 1 1064 1585 97 LYS CG C 23.746 0.109 1 1065 1585 97 LYS CD C 29.261 0.124 1 1066 1585 97 LYS CE C 41.561 0.110 1 1067 1585 97 LYS N N 117.581 0.127 1 1068 1586 98 SER H H 9.118 0.006 1 1069 1586 98 SER HA H 5.372 0.010 1 1070 1586 98 SER HB2 H 3.663 0.004 2 1071 1586 98 SER HB3 H 3.548 0.011 2 1072 1586 98 SER C C 171.813 0.000 1 1073 1586 98 SER CA C 58.063 0.105 1 1074 1586 98 SER CB C 66.164 0.067 1 1075 1586 98 SER N N 117.769 0.088 1 1076 1587 99 VAL H H 9.252 0.007 1 1077 1587 99 VAL HA H 4.442 0.010 1 1078 1587 99 VAL HB H 1.957 0.009 1 1079 1587 99 VAL HG1 H 0.625 0.005 2 1080 1587 99 VAL HG2 H 0.851 0.003 2 1081 1587 99 VAL C C 175.060 0.000 1 1082 1587 99 VAL CA C 60.842 0.083 1 1083 1587 99 VAL CB C 32.595 0.026 1 1084 1587 99 VAL CG1 C 20.022 0.078 2 1085 1587 99 VAL CG2 C 20.243 0.049 2 1086 1587 99 VAL N N 126.840 0.081 1 1087 1588 100 ILE H H 9.405 0.005 1 1088 1588 100 ILE HA H 4.316 0.006 1 1089 1588 100 ILE HB H 1.525 0.009 1 1090 1588 100 ILE HG12 H 1.064 0.007 2 1091 1588 100 ILE HG13 H 0.390 0.017 2 1092 1588 100 ILE HG2 H 0.055 0.004 1 1093 1588 100 ILE HD1 H 0.234 0.003 1 1094 1588 100 ILE C C 174.335 0.000 1 1095 1588 100 ILE CA C 60.552 0.083 1 1096 1588 100 ILE CB C 39.018 0.085 1 1097 1588 100 ILE CG1 C 27.297 0.105 1 1098 1588 100 ILE CG2 C 18.749 0.062 1 1099 1588 100 ILE CD1 C 14.357 0.066 1 1100 1588 100 ILE N N 129.463 0.052 1 1101 1589 101 SER H H 7.905 0.006 1 1102 1589 101 SER HA H 5.191 0.005 1 1103 1589 101 SER HB2 H 3.736 0.008 2 1104 1589 101 SER HB3 H 3.502 0.009 2 1105 1589 101 SER C C 172.042 0.000 1 1106 1589 101 SER CA C 57.002 0.108 1 1107 1589 101 SER CB C 63.610 0.123 1 1108 1589 101 SER N N 122.516 0.116 1 1109 1590 102 PHE H H 9.666 0.008 1 1110 1590 102 PHE HA H 5.317 0.006 1 1111 1590 102 PHE HB2 H 2.784 0.007 2 1112 1590 102 PHE HB3 H 2.323 0.005 2 1113 1590 102 PHE HD1 H 6.574 0.008 3 1114 1590 102 PHE HD2 H 6.574 0.008 3 1115 1590 102 PHE HE1 H 6.343 0.009 3 1116 1590 102 PHE HE2 H 6.343 0.009 3 1117 1590 102 PHE HZ H 6.591 0.006 1 1118 1590 102 PHE C C 173.938 0.000 1 1119 1590 102 PHE CA C 55.540 0.046 1 1120 1590 102 PHE CB C 38.569 0.074 1 1121 1590 102 PHE CD1 C 131.374 0.015 3 1122 1590 102 PHE CD2 C 131.374 0.015 3 1123 1590 102 PHE CE1 C 130.186 0.059 3 1124 1590 102 PHE CE2 C 130.186 0.059 3 1125 1590 102 PHE CZ C 127.994 0.042 1 1126 1590 102 PHE N N 125.692 0.074 1 1127 1591 103 VAL H H 8.317 0.008 1 1128 1591 103 VAL HA H 4.215 0.006 1 1129 1591 103 VAL HB H 1.112 0.009 1 1130 1591 103 VAL HG1 H 0.526 0.003 2 1131 1591 103 VAL HG2 H 0.773 0.009 2 1132 1591 103 VAL C C 175.431 0.000 1 1133 1591 103 VAL CA C 59.331 0.091 1 1134 1591 103 VAL CB C 34.621 0.091 1 1135 1591 103 VAL CG1 C 19.635 0.067 2 1136 1591 103 VAL CG2 C 20.957 0.052 2 1137 1591 103 VAL N N 122.946 0.132 1 1138 1592 104 CYS H H 9.164 0.007 1 1139 1592 104 CYS HA H 4.337 0.005 1 1140 1592 104 CYS HB2 H 3.119 0.007 2 1141 1592 104 CYS HB3 H 2.625 0.003 2 1142 1592 104 CYS C C 175.061 0.000 1 1143 1592 104 CYS CA C 56.436 0.108 1 1144 1592 104 CYS CB C 37.664 0.044 1 1145 1592 104 CYS N N 124.715 0.108 1 1146 1593 105 LYS H H 6.909 0.009 1 1147 1593 105 LYS HA H 4.454 0.006 1 1148 1593 105 LYS HB2 H 1.756 0.011 2 1149 1593 105 LYS HB3 H 1.644 0.016 2 1150 1593 105 LYS HG2 H 1.391 0.010 2 1151 1593 105 LYS HG3 H 1.319 0.012 2 1152 1593 105 LYS HD2 H 1.676 0.003 2 1153 1593 105 LYS HD3 H 1.633 0.000 2 1154 1593 105 LYS HE2 H 2.896 0.005 2 1155 1593 105 LYS HE3 H 2.817 0.006 2 1156 1593 105 LYS HZ H 7.506 0.000 1 1157 1593 105 LYS C C 176.258 0.000 1 1158 1593 105 LYS CA C 55.779 0.102 1 1159 1593 105 LYS CB C 34.975 0.157 1 1160 1593 105 LYS CG C 24.480 0.101 1 1161 1593 105 LYS CD C 28.640 0.042 1 1162 1593 105 LYS CE C 42.128 0.012 1 1163 1593 105 LYS N N 131.220 0.049 1 1164 1594 106 SER H H 9.201 0.006 1 1165 1594 106 SER HA H 4.038 0.003 1 1166 1594 106 SER HB2 H 3.919 0.005 2 1167 1594 106 SER HB3 H 3.833 0.001 2 1168 1594 106 SER HG H 4.719 0.001 1 1169 1594 106 SER C C 174.551 0.000 1 1170 1594 106 SER CA C 61.116 0.028 1 1171 1594 106 SER CB C 62.353 0.032 1 1172 1594 106 SER N N 124.674 0.098 1 1173 1595 107 ASP H H 8.229 0.007 1 1174 1595 107 ASP HA H 4.649 0.005 1 1175 1595 107 ASP HB2 H 2.906 0.004 2 1176 1595 107 ASP HB3 H 2.510 0.006 2 1177 1595 107 ASP C C 176.087 0.000 1 1178 1595 107 ASP CA C 52.092 0.074 1 1179 1595 107 ASP CB C 39.404 0.118 1 1180 1595 107 ASP N N 119.056 0.115 1 1181 1596 108 ALA H H 7.503 0.004 1 1182 1596 108 ALA HA H 4.367 0.003 1 1183 1596 108 ALA HB H 1.508 0.009 1 1184 1596 108 ALA C C 177.683 0.000 1 1185 1596 108 ALA CA C 52.124 0.044 1 1186 1596 108 ALA CB C 18.765 0.083 1 1187 1596 108 ALA N N 123.964 0.030 1 1188 1597 109 GLY H H 8.249 0.004 1 1189 1597 109 GLY HA2 H 4.266 0.007 2 1190 1597 109 GLY HA3 H 4.108 0.004 2 1191 1597 109 GLY CA C 44.311 0.059 1 1192 1597 109 GLY N N 110.359 0.062 1 1193 1598 110 PRO HA H 4.566 0.005 1 1194 1598 110 PRO HB2 H 2.357 0.000 2 1195 1598 110 PRO HB3 H 2.341 0.009 2 1196 1598 110 PRO HG2 H 2.053 0.003 2 1197 1598 110 PRO HG3 H 2.044 0.008 2 1198 1598 110 PRO HD2 H 3.776 0.003 2 1199 1598 110 PRO HD3 H 3.633 0.007 2 1200 1598 110 PRO C C 177.789 0.000 1 1201 1598 110 PRO CA C 63.980 0.064 1 1202 1598 110 PRO CB C 31.818 0.095 1 1203 1598 110 PRO CG C 26.491 0.000 1 1204 1598 110 PRO CD C 49.634 0.037 1 1205 1599 111 THR H H 7.922 0.003 1 1206 1599 111 THR HA H 4.535 0.004 1 1207 1599 111 THR HB H 4.499 0.002 1 1208 1599 111 THR HG2 H 1.231 0.004 1 1209 1599 111 THR C C 175.124 0.000 1 1210 1599 111 THR CA C 61.134 0.057 1 1211 1599 111 THR CB C 68.571 0.108 1 1212 1599 111 THR CG2 C 21.439 0.091 1 1213 1599 111 THR N N 110.242 0.076 1 1214 1600 112 SER H H 8.125 0.007 1 1215 1600 112 SER HA H 4.476 0.005 1 1216 1600 112 SER HB2 H 4.249 0.004 2 1217 1600 112 SER HB3 H 4.241 0.002 2 1218 1600 112 SER HG H 4.720 0.003 1 1219 1600 112 SER C C 173.925 0.000 1 1220 1600 112 SER CA C 58.393 0.061 1 1221 1600 112 SER CB C 63.748 0.090 1 1222 1600 112 SER N N 119.999 0.070 1 1223 1601 113 GLN H H 8.299 0.009 1 1224 1601 113 GLN HA H 4.211 0.005 1 1225 1601 113 GLN HB2 H 1.984 0.004 2 1226 1601 113 GLN HB3 H 1.666 0.005 2 1227 1601 113 GLN HG2 H 2.382 0.009 2 1228 1601 113 GLN HG3 H 2.356 0.006 2 1229 1601 113 GLN HE21 H 6.803 0.004 2 1230 1601 113 GLN HE22 H 7.412 0.003 2 1231 1601 113 GLN CA C 51.850 0.047 1 1232 1601 113 GLN CB C 30.594 0.142 1 1233 1601 113 GLN CG C 32.888 0.123 1 1234 1601 113 GLN CD C 180.668 0.009 1 1235 1601 113 GLN N N 123.271 0.132 1 1236 1601 113 GLN NE2 N 113.490 0.317 1 1237 1602 114 PRO HA H 4.077 0.009 1 1238 1602 114 PRO HG2 H 1.229 0.004 2 1239 1602 114 PRO HG3 H 1.071 0.011 2 1240 1602 114 PRO C C 173.918 0.000 1 1241 1602 114 PRO CA C 61.202 0.087 1 1242 1602 114 PRO CB C 30.835 0.014 1 1243 1602 114 PRO CG C 24.878 0.001 1 1244 1603 115 LEU H H 8.447 0.009 1 1245 1603 115 LEU HA H 4.539 0.003 1 1246 1603 115 LEU HB2 H 1.531 0.009 2 1247 1603 115 LEU HB3 H 1.501 0.007 2 1248 1603 115 LEU HD1 H 0.818 0.005 2 1249 1603 115 LEU HD2 H 0.821 0.003 2 1250 1603 115 LEU C C 176.229 0.000 1 1251 1603 115 LEU CA C 53.198 0.123 1 1252 1603 115 LEU CB C 44.902 0.101 1 1253 1603 115 LEU CD1 C 24.108 0.013 2 1254 1603 115 LEU CD2 C 24.366 0.016 2 1255 1603 115 LEU N N 117.030 0.041 1 1256 1604 116 LEU H H 8.734 0.006 1 1257 1604 116 LEU HA H 4.261 0.007 1 1258 1604 116 LEU HB2 H 1.924 0.008 2 1259 1604 116 LEU HB3 H 0.847 0.011 2 1260 1604 116 LEU HG H 0.907 0.008 1 1261 1604 116 LEU HD1 H -0.012 0.003 2 1262 1604 116 LEU HD2 H 0.539 0.010 2 1263 1604 116 LEU C C 175.184 0.000 1 1264 1604 116 LEU CA C 53.968 0.108 1 1265 1604 116 LEU CB C 41.323 0.083 1 1266 1604 116 LEU CG C 26.120 0.047 1 1267 1604 116 LEU CD1 C 21.756 0.031 2 1268 1604 116 LEU CD2 C 25.436 0.056 2 1269 1604 116 LEU N N 124.463 0.049 1 1270 1605 117 LEU H H 9.147 0.006 1 1271 1605 117 LEU HA H 4.213 0.010 1 1272 1605 117 LEU HB2 H 1.506 0.004 2 1273 1605 117 LEU HB3 H 1.445 0.010 2 1274 1605 117 LEU HD1 H 0.743 0.003 2 1275 1605 117 LEU HD2 H 0.814 0.002 2 1276 1605 117 LEU C C 177.879 0.000 1 1277 1605 117 LEU CA C 56.073 0.073 1 1278 1605 117 LEU CB C 42.753 0.080 1 1279 1605 117 LEU CD1 C 23.540 0.106 2 1280 1605 117 LEU CD2 C 23.735 0.012 2 1281 1605 117 LEU N N 131.844 0.086 1 1282 1606 118 SER H H 7.685 0.006 1 1283 1606 118 SER HA H 4.413 0.006 1 1284 1606 118 SER HB2 H 3.727 0.002 2 1285 1606 118 SER HB3 H 3.725 0.002 2 1286 1606 118 SER C C 171.434 0.000 1 1287 1606 118 SER CA C 57.189 0.132 1 1288 1606 118 SER CB C 63.962 0.075 1 1289 1606 118 SER N N 110.122 0.078 1 1290 1607 119 VAL H H 8.250 0.006 1 1291 1607 119 VAL HA H 4.755 0.007 1 1292 1607 119 VAL HB H 1.934 0.003 1 1293 1607 119 VAL HG1 H 0.728 0.005 2 1294 1607 119 VAL HG2 H 0.905 0.005 2 1295 1607 119 VAL C C 175.521 0.000 1 1296 1607 119 VAL CA C 60.388 0.063 1 1297 1607 119 VAL CB C 34.527 0.062 1 1298 1607 119 VAL CG1 C 19.833 0.056 2 1299 1607 119 VAL CG2 C 21.979 0.117 2 1300 1607 119 VAL N N 119.559 0.125 1 1301 1608 120 ASP H H 9.227 0.008 1 1302 1608 120 ASP HA H 4.930 0.010 1 1303 1608 120 ASP HB2 H 2.926 0.010 2 1304 1608 120 ASP HB3 H 2.797 0.003 2 1305 1608 120 ASP C C 177.389 0.000 1 1306 1608 120 ASP CA C 51.979 0.060 1 1307 1608 120 ASP CB C 41.052 0.141 1 1308 1608 120 ASP N N 126.948 0.141 1 1309 1609 121 GLU H H 8.996 0.008 1 1310 1609 121 GLU HA H 3.956 0.007 1 1311 1609 121 GLU HB2 H 1.992 0.004 2 1312 1609 121 GLU HB3 H 1.670 0.005 2 1313 1609 121 GLU HG2 H 2.234 0.005 2 1314 1609 121 GLU HG3 H 2.107 0.005 2 1315 1609 121 GLU C C 177.417 0.000 1 1316 1609 121 GLU CA C 57.668 0.087 1 1317 1609 121 GLU CB C 28.682 0.108 1 1318 1609 121 GLU CG C 35.200 0.092 1 1319 1609 121 GLU N N 126.414 0.115 1 1320 1610 122 HIS H H 8.285 0.009 1 1321 1610 122 HIS HA H 4.261 0.004 1 1322 1610 122 HIS HB2 H 3.365 0.006 2 1323 1610 122 HIS HB3 H 3.222 0.009 2 1324 1610 122 HIS C C 175.310 0.000 1 1325 1610 122 HIS CA C 57.324 0.074 1 1326 1610 122 HIS CB C 28.220 0.107 1 1327 1610 122 HIS N N 115.300 0.115 1 1328 1611 123 THR H H 6.936 0.006 1 1329 1611 123 THR HA H 4.255 0.002 1 1330 1611 123 THR HB H 4.275 0.003 1 1331 1611 123 THR HG1 H 4.727 0.008 1 1332 1611 123 THR HG2 H 0.972 0.004 1 1333 1611 123 THR C C 173.199 0.000 1 1334 1611 123 THR CA C 59.331 0.032 1 1335 1611 123 THR CB C 69.955 0.072 1 1336 1611 123 THR CG2 C 20.168 0.062 1 1337 1611 123 THR N N 103.902 0.040 1 1338 1612 124 CYS H H 7.670 0.005 1 1339 1612 124 CYS HA H 3.335 0.003 1 1340 1612 124 CYS HB2 H 2.435 0.007 2 1341 1612 124 CYS HB3 H 1.578 0.008 2 1342 1612 124 CYS C C 172.143 0.000 1 1343 1612 124 CYS CA C 59.148 0.080 1 1344 1612 124 CYS CB C 34.925 0.129 1 1345 1612 124 CYS N N 115.852 0.057 1 1346 1613 125 THR H H 7.376 0.004 1 1347 1613 125 THR HA H 4.923 0.005 1 1348 1613 125 THR HB H 3.542 0.005 1 1349 1613 125 THR HG2 H 0.229 0.005 1 1350 1613 125 THR C C 172.826 0.000 1 1351 1613 125 THR CA C 61.147 0.112 1 1352 1613 125 THR CB C 69.240 0.090 1 1353 1613 125 THR CG2 C 21.923 0.107 1 1354 1613 125 THR N N 110.686 0.141 1 1355 1614 126 LEU H H 9.023 0.006 1 1356 1614 126 LEU HA H 4.373 0.009 1 1357 1614 126 LEU HB2 H 1.915 0.012 2 1358 1614 126 LEU HB3 H 0.975 0.011 2 1359 1614 126 LEU HG H 1.733 0.007 1 1360 1614 126 LEU HD1 H 0.687 0.008 2 1361 1614 126 LEU HD2 H 1.033 0.008 2 1362 1614 126 LEU C C 173.985 0.000 1 1363 1614 126 LEU CA C 54.623 0.097 1 1364 1614 126 LEU CB C 42.570 0.101 1 1365 1614 126 LEU CG C 29.727 0.188 1 1366 1614 126 LEU CD1 C 25.233 0.048 2 1367 1614 126 LEU CD2 C 24.945 0.041 2 1368 1614 126 LEU N N 129.432 0.130 1 1369 1615 127 PHE H H 8.284 0.008 1 1370 1615 127 PHE HA H 5.060 0.009 1 1371 1615 127 PHE HB2 H 2.855 0.009 2 1372 1615 127 PHE HB3 H 2.790 0.010 2 1373 1615 127 PHE HD1 H 7.032 0.007 3 1374 1615 127 PHE HD2 H 7.032 0.007 3 1375 1615 127 PHE HE1 H 7.143 0.008 3 1376 1615 127 PHE HE2 H 7.143 0.008 3 1377 1615 127 PHE C C 174.691 0.000 1 1378 1615 127 PHE CA C 56.624 0.121 1 1379 1615 127 PHE CB C 38.813 0.078 1 1380 1615 127 PHE CD1 C 131.869 0.000 3 1381 1615 127 PHE CD2 C 131.869 0.000 3 1382 1615 127 PHE CE1 C 130.191 0.000 3 1383 1615 127 PHE CE2 C 130.191 0.000 3 1384 1615 127 PHE N N 119.937 0.085 1 1385 1616 128 PHE H H 9.529 0.004 1 1386 1616 128 PHE HA H 5.454 0.006 1 1387 1616 128 PHE HB2 H 2.823 0.004 2 1388 1616 128 PHE HB3 H 2.644 0.006 2 1389 1616 128 PHE HD1 H 6.781 0.009 3 1390 1616 128 PHE HD2 H 6.781 0.009 3 1391 1616 128 PHE HE1 H 7.013 0.010 3 1392 1616 128 PHE HE2 H 7.013 0.010 3 1393 1616 128 PHE HZ H 6.901 0.002 1 1394 1616 128 PHE C C 176.234 0.000 1 1395 1616 128 PHE CA C 55.871 0.108 1 1396 1616 128 PHE CB C 41.840 0.097 1 1397 1616 128 PHE CD1 C 130.669 0.000 3 1398 1616 128 PHE CD2 C 130.669 0.000 3 1399 1616 128 PHE CE1 C 130.347 0.000 3 1400 1616 128 PHE CE2 C 130.347 0.000 3 1401 1616 128 PHE N N 122.148 0.099 1 1402 1617 129 SER H H 9.169 0.008 1 1403 1617 129 SER HA H 5.267 0.002 1 1404 1617 129 SER HB2 H 3.577 0.005 2 1405 1617 129 SER HB3 H 3.531 0.009 2 1406 1617 129 SER C C 173.206 0.000 1 1407 1617 129 SER CA C 56.148 0.080 1 1408 1617 129 SER CB C 65.311 0.096 1 1409 1617 129 SER N N 117.843 0.086 1 1410 1618 130 TRP H H 8.904 0.007 1 1411 1618 130 TRP HA H 4.769 0.010 1 1412 1618 130 TRP HB2 H 3.038 0.006 2 1413 1618 130 TRP HB3 H 2.166 0.012 2 1414 1618 130 TRP HD1 H 6.604 0.005 1 1415 1618 130 TRP HE1 H 9.452 0.005 1 1416 1618 130 TRP HE3 H 6.892 0.012 1 1417 1618 130 TRP C C 175.073 0.000 1 1418 1618 130 TRP CA C 54.912 0.075 1 1419 1618 130 TRP CB C 31.486 0.085 1 1420 1618 130 TRP N N 130.938 0.142 1 1421 1618 130 TRP NE1 N 128.140 0.049 1 1422 1619 131 HIS H H 9.482 0.005 1 1423 1619 131 HIS HA H 5.335 0.007 1 1424 1619 131 HIS HB2 H 3.132 0.007 2 1425 1619 131 HIS HB3 H 2.801 0.007 2 1426 1619 131 HIS HD2 H 6.745 0.000 1 1427 1619 131 HIS HE1 H 8.341 0.000 1 1428 1619 131 HIS C C 174.193 0.000 1 1429 1619 131 HIS CA C 55.713 0.095 1 1430 1619 131 HIS CB C 29.331 0.119 1 1431 1619 131 HIS CE1 C 136.505 0.000 1 1432 1619 131 HIS N N 128.963 0.107 1 1433 1620 132 THR H H 9.046 0.005 1 1434 1620 132 THR HA H 5.089 0.004 1 1435 1620 132 THR HB H 4.020 0.005 1 1436 1620 132 THR HG1 H 6.380 0.007 1 1437 1620 132 THR HG2 H 0.946 0.004 1 1438 1620 132 THR C C 174.503 0.000 1 1439 1620 132 THR CA C 58.612 0.123 1 1440 1620 132 THR CB C 68.115 0.088 1 1441 1620 132 THR CG2 C 18.757 0.054 1 1442 1620 132 THR N N 120.541 0.082 1 1443 1621 133 SER H H 9.113 0.005 1 1444 1621 133 SER HA H 4.351 0.004 1 1445 1621 133 SER HB2 H 4.023 0.006 2 1446 1621 133 SER HB3 H 3.918 0.010 2 1447 1621 133 SER C C 177.274 0.000 1 1448 1621 133 SER CA C 61.075 0.041 1 1449 1621 133 SER CB C 61.888 0.197 1 1450 1621 133 SER N N 130.045 0.049 1 1451 1622 134 LEU H H 8.442 0.005 1 1452 1622 134 LEU HA H 4.205 0.004 1 1453 1622 134 LEU HB2 H 1.384 0.005 2 1454 1622 134 LEU HB3 H 1.356 0.008 2 1455 1622 134 LEU HG H 1.528 0.007 1 1456 1622 134 LEU HD1 H 0.684 0.009 2 1457 1622 134 LEU HD2 H 0.859 0.006 2 1458 1622 134 LEU C C 176.896 0.000 1 1459 1622 134 LEU CA C 55.880 0.113 1 1460 1622 134 LEU CB C 41.401 0.055 1 1461 1622 134 LEU CG C 26.648 0.013 1 1462 1622 134 LEU CD1 C 25.473 0.078 2 1463 1622 134 LEU CD2 C 21.801 0.037 2 1464 1622 134 LEU N N 123.581 0.101 1 1465 1623 135 ALA H H 6.923 0.004 1 1466 1623 135 ALA HA H 4.472 0.004 1 1467 1623 135 ALA HB H 1.048 0.005 1 1468 1623 135 ALA C C 174.557 0.000 1 1469 1623 135 ALA CA C 50.628 0.094 1 1470 1623 135 ALA CB C 18.177 0.063 1 1471 1623 135 ALA N N 117.182 0.087 1 1472 1624 136 CYS H H 7.511 0.004 1 1473 1624 136 CYS HA H 4.779 0.010 1 1474 1624 136 CYS HB2 H 3.163 0.004 2 1475 1624 136 CYS HB3 H 3.009 0.010 2 1476 1624 136 CYS C C 173.489 0.000 1 1477 1624 136 CYS CA C 52.803 0.051 1 1478 1624 136 CYS CB C 41.336 0.089 1 1479 1624 136 CYS N N 117.883 0.113 1 1480 1625 137 GLU H H 8.853 0.005 1 1481 1625 137 GLU HA H 3.176 0.005 1 1482 1625 137 GLU HB2 H 1.545 0.003 2 1483 1625 137 GLU HB3 H 1.459 0.007 2 1484 1625 137 GLU HG2 H 1.526 0.012 2 1485 1625 137 GLU HG3 H 1.349 0.005 2 1486 1625 137 GLU C C 175.226 0.000 1 1487 1625 137 GLU CA C 55.367 0.089 1 1488 1625 137 GLU CB C 28.694 0.023 1 1489 1625 137 GLU CG C 35.538 0.104 1 1490 1625 137 GLU N N 125.707 0.091 1 1491 1626 138 GLN H H 6.632 0.004 1 1492 1626 138 GLN HA H 4.287 0.008 1 1493 1626 138 GLN HB2 H 2.005 0.005 2 1494 1626 138 GLN HB3 H 1.865 0.007 2 1495 1626 138 GLN HG2 H 2.234 0.003 2 1496 1626 138 GLN HG3 H 2.226 0.002 2 1497 1626 138 GLN HE21 H 6.802 0.008 2 1498 1626 138 GLN HE22 H 7.456 0.005 2 1499 1626 138 GLN C C 175.031 0.000 1 1500 1626 138 GLN CA C 54.554 0.076 1 1501 1626 138 GLN CB C 29.675 0.118 1 1502 1626 138 GLN CG C 32.934 0.130 1 1503 1626 138 GLN CD C 180.403 0.005 1 1504 1626 138 GLN N N 122.433 0.078 1 1505 1626 138 GLN NE2 N 112.702 0.213 1 1506 1627 139 GLU H H 8.501 0.006 1 1507 1627 139 GLU HA H 4.254 0.005 1 1508 1627 139 GLU HB2 H 2.000 0.004 2 1509 1627 139 GLU HB3 H 1.873 0.005 2 1510 1627 139 GLU HG2 H 2.238 0.000 2 1511 1627 139 GLU HG3 H 2.229 0.005 2 1512 1627 139 GLU C C 175.569 0.000 1 1513 1627 139 GLU CA C 56.260 0.086 1 1514 1627 139 GLU CB C 29.686 0.127 1 1515 1627 139 GLU CG C 35.386 0.048 1 1516 1627 139 GLU N N 124.141 0.111 1 1517 1628 140 VAL H H 7.783 0.004 1 1518 1628 140 VAL HA H 4.008 0.002 1 1519 1628 140 VAL HB H 2.015 0.000 1 1520 1628 140 VAL HG1 H 0.841 0.000 2 1521 1628 140 VAL HG2 H 0.846 0.000 2 1522 1628 140 VAL CA C 63.088 0.053 1 1523 1628 140 VAL CB C 32.834 0.000 1 1524 1628 140 VAL N N 126.279 0.053 1 stop_ save_