data_17134 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of Opossum Domain 11 ; _BMRB_accession_number 17134 _BMRB_flat_file_name bmr17134.str _Entry_type original _Submission_date 2010-08-18 _Accession_date 2010-08-18 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Domain 11 of the IGF2R from Monodelphis domestica (Gray Short-tailed Opossum)' 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 Rezgui Madeline . . 5 Frago Susana . . 6 Ellis Rosamund Z. . 7 Wattana-Amorn Pakorn . . 8 Prince Stuart N. . 9 Zaccheo Oliver J. . 10 Forbes Briony . . 11 Jones E. Yvonne . 12 Crump Matthew P. . 13 Bassim A. Hassan . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 795 "13C chemical shifts" 596 "15N chemical shifts" 150 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-03-04 original author . stop_ _Original_release_date 2014-03-04 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 . loop_ _Keyword 'Genomic imprinting' 'Insulin-like growth factor 2' 'mannose 6 phosphate receptor' 'NMR structure' 'protein evolution' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Domain 11 of the IGF2R' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label IGF2R $IGF2R stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function 'binds IGF-II' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_IGF2R _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common IGF2R _Molecular_mass 16103.299 _Mol_thiol_state 'all disulfide bound' loop_ _Biological_function 'IGF-II binding domain of the Cation-independent mannose-6-phosphate receptor from Opossum' stop_ _Details 'Disulfide linkages: Cys9(1532)-Cys46(1569), Cys52(1575)-Cys59(1582), Cys91(1614)-Cys127(1650, Cys107(1630)-Cys139(1662)' ############################## # Polymer residue sequence # ############################## _Residue_count 151 _Mol_residue_sequence ; MKSNIQDNCQVTNPATGHLF DLNSLKNDSGYSVAYSEKGL IYIGICGGTKNCPSGVGVCF GLTKINAGSWNSQLMYVDQV LQLVYDDGAPCPSKNALKYK SVISFVCTHDSGANNKPVFV SLDKQTCTLYFSWHTPLACE KEEPRHHHHHH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1522 MET 2 1523 LYS 3 1524 SER 4 1525 ASN 5 1526 ILE 6 1527 GLN 7 1528 ASP 8 1529 ASN 9 1530 CYS 10 1531 GLN 11 1532 VAL 12 1533 THR 13 1534 ASN 14 1535 PRO 15 1536 ALA 16 1537 THR 17 1538 GLY 18 1539 HIS 19 1540 LEU 20 1541 PHE 21 1542 ASP 22 1543 LEU 23 1544 ASN 24 1545 SER 25 1546 LEU 26 1547 LYS 27 1548 ASN 28 1549 ASP 29 1550 SER 30 1551 GLY 31 1552 TYR 32 1553 SER 33 1554 VAL 34 1555 ALA 35 1556 TYR 36 1557 SER 37 1558 GLU 38 1559 LYS 39 1560 GLY 40 1561 LEU 41 1562 ILE 42 1563 TYR 43 1564 ILE 44 1565 GLY 45 1566 ILE 46 1567 CYS 47 1568 GLY 48 1569 GLY 49 1570 THR 50 1571 LYS 51 1572 ASN 52 1573 CYS 53 1574 PRO 54 1575 SER 55 1576 GLY 56 1577 VAL 57 1578 GLY 58 1579 VAL 59 1580 CYS 60 1581 PHE 61 1582 GLY 62 1583 LEU 63 1584 THR 64 1585 LYS 65 1586 ILE 66 1587 ASN 67 1588 ALA 68 1589 GLY 69 1590 SER 70 1591 TRP 71 1592 ASN 72 1593 SER 73 1594 GLN 74 1595 LEU 75 1596 MET 76 1597 TYR 77 1598 VAL 78 1599 ASP 79 1600 GLN 80 1601 VAL 81 1602 LEU 82 1603 GLN 83 1604 LEU 84 1605 VAL 85 1606 TYR 86 1607 ASP 87 1608 ASP 88 1609 GLY 89 1610 ALA 90 1611 PRO 91 1612 CYS 92 1613 PRO 93 1614 SER 94 1615 LYS 95 1616 ASN 96 1617 ALA 97 1618 LEU 98 1619 LYS 99 1620 TYR 100 1621 LYS 101 1622 SER 102 1623 VAL 103 1624 ILE 104 1625 SER 105 1626 PHE 106 1627 VAL 107 1628 CYS 108 1629 THR 109 1630 HIS 110 1631 ASP 111 1632 SER 112 1633 GLY 113 1634 ALA 114 1635 ASN 115 1636 ASN 116 1637 LYS 117 1638 PRO 118 1639 VAL 119 1640 PHE 120 1641 VAL 121 1642 SER 122 1643 LEU 123 1644 ASP 124 1645 LYS 125 1646 GLN 126 1647 THR 127 1648 CYS 128 1649 THR 129 1650 LEU 130 1651 TYR 131 1652 PHE 132 1653 SER 133 1654 TRP 134 1655 HIS 135 1656 THR 136 1657 PRO 137 1658 LEU 138 1659 ALA 139 1660 CYS 140 1661 GLU 141 1662 LYS 142 1663 GLU 143 1664 GLU 144 1665 PRO 145 1666 ARG 146 1667 HIS 147 1668 HIS 148 1669 HIS 149 1670 HIS 150 1671 HIS 151 1672 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-03-10 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 2L2G "Solution Structure Of Opossum Domain 11" 100.00 151 100.00 100.00 6.68e-108 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Details $IGF2R 'Gray Short-tailed Opossum' 13616 Eukaryota Metazoa Monodelphis domestica 'Gray Short-tailed Opossum' 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 $IGF2R 'recombinant technology' . Escherichia coli 'BL21 (DE3)' pET26a 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 _Concentration_min_value _Concentration_max_value _Isotopic_labeling D2O 5 % . . 'natural abundance' 'sodium acetate' 20 mM . . 'natural abundance' EDTA 0.1 mM . . 'natural abundance' 'sodium azide' 100 uM . . 'natural abundance' $IGF2R . mM 0.5 1 '[U-98% 15N]' H2O 95 % . . 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling D2O 5 mM . . 'natural abundance' 'sodium acetate' 20 mM . . 'natural abundance' EDTA 0.1 mM . . 'natural abundance' 'sodium azide' 100 uM . . 'natural abundance' $IGF2R . mM 0.5 1 '[U-98% 13C; U-98% 15N]' H2O 95 % . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Saveframe_category software _Name VNMRJ _Version . loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ 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 . 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 . save_ save_CNS _Saveframe_category software _Name CNS _Version 1.2 loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ save_CcpNMR _Saveframe_category software _Name CcpNMR _Version 2.13 loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ save_iCing _Saveframe_category software _Name iCing _Version r765 loop_ _Vendor _Address _Electronic_address 'Vuister, Doreleijers, Sousa da Silva' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'geometry optimization' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details 'room temp 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-15N_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_2 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_2 save_ save_3D_C(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_2 save_ save_3D_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_HNCA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_3D_HNCACB_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_HN(CO)CA_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_2 save_ save_3D_HNHA_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_2 save_ save_3D_1H-15N_TOCSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5.5 0.1 pH pressure 1 . atm temperature 273 . 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 4.773 internal indirect . . . 0.251449530 water H 1 protons ppm 4.773 internal direct . . . 1.00 water N 15 protons ppm 4.773 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 $CcpNMR stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D CBCA(CO)NH' '3D C(CO)NH' '3D HNCO' '3D HNCA' '3D HNCACB' '3D HN(CO)CA' '3D 1H-15N TOCSY' '3D HCCH-TOCSY' stop_ loop_ _Sample_label $sample_2 $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name IGF2R _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 1523 2 LYS HA H 4.484 0.002 1 2 1523 2 LYS HB2 H 1.794 0.050 2 3 1523 2 LYS HB3 H 1.906 0.011 2 4 1523 2 LYS HD2 H 1.749 0.050 1 5 1523 2 LYS HD3 H 1.749 0.050 1 6 1523 2 LYS HE2 H 3.063 0.010 1 7 1523 2 LYS HE3 H 3.063 0.010 1 8 1523 2 LYS HG2 H 1.532 0.003 1 9 1523 2 LYS HG3 H 1.532 0.003 1 10 1523 2 LYS C C 176.089 0.050 1 11 1523 2 LYS CA C 56.662 0.011 1 12 1523 2 LYS CB C 33.325 0.025 1 13 1523 2 LYS CD C 29.279 0.026 1 14 1523 2 LYS CG C 24.730 0.012 1 15 1524 3 SER H H 8.586 0.005 1 16 1524 3 SER HA H 4.554 0.002 1 17 1524 3 SER HB2 H 3.970 0.050 2 18 1524 3 SER HB3 H 3.922 0.050 2 19 1524 3 SER C C 174.194 0.050 1 20 1524 3 SER CA C 58.361 0.075 1 21 1524 3 SER CB C 64.167 0.031 1 22 1524 3 SER N N 117.997 0.054 1 23 1525 4 ASN H H 8.639 0.006 1 24 1525 4 ASN HA H 4.824 0.002 1 25 1525 4 ASN HB2 H 2.929 0.050 1 26 1525 4 ASN HB3 H 2.929 0.050 1 27 1525 4 ASN C C 175.077 0.050 1 28 1525 4 ASN CA C 53.373 0.024 1 29 1525 4 ASN CB C 38.829 0.012 1 30 1525 4 ASN N N 120.603 0.049 1 31 1526 5 ILE H H 8.350 0.004 1 32 1526 5 ILE HA H 4.623 0.004 1 33 1526 5 ILE HB H 2.616 0.050 1 34 1526 5 ILE C C 176.009 0.050 1 35 1526 5 ILE CA C 55.858 0.027 1 36 1526 5 ILE CB C 33.147 0.085 1 37 1526 5 ILE N N 120.265 0.056 1 38 1527 6 GLN H H 8.463 0.009 1 39 1527 6 GLN HA H 4.470 0.004 1 40 1527 6 GLN HB2 H 2.255 0.011 2 41 1527 6 GLN HB3 H 2.155 0.001 2 42 1527 6 GLN HG2 H 2.471 0.006 1 43 1527 6 GLN HG3 H 2.471 0.006 1 44 1527 6 GLN C C 175.402 0.050 1 45 1527 6 GLN CA C 56.226 0.069 1 46 1527 6 GLN CB C 29.652 0.096 1 47 1527 6 GLN CG C 34.238 0.050 1 48 1527 6 GLN N N 120.964 0.145 1 49 1528 7 ASP H H 8.409 0.005 1 50 1528 7 ASP HA H 4.826 0.008 1 51 1528 7 ASP HB2 H 2.806 0.050 1 52 1528 7 ASP HB3 H 2.806 0.050 1 53 1528 7 ASP C C 175.947 0.050 1 54 1528 7 ASP CA C 54.082 0.032 1 55 1528 7 ASP CB C 40.880 0.034 1 56 1528 7 ASP N N 121.230 0.058 1 57 1529 8 ASN H H 8.546 0.007 1 58 1529 8 ASN HA H 4.927 0.008 1 59 1529 8 ASN HB2 H 2.926 0.007 1 60 1529 8 ASN HB3 H 2.926 0.007 1 61 1529 8 ASN C C 174.508 0.050 1 62 1529 8 ASN CA C 53.340 0.029 1 63 1529 8 ASN CB C 38.922 0.065 1 64 1529 8 ASN N N 117.821 0.035 1 65 1530 9 CYS H H 9.597 0.013 1 66 1530 9 CYS HA H 4.113 0.075 1 67 1530 9 CYS HB2 H 3.704 0.018 2 68 1530 9 CYS HB3 H 2.790 0.014 2 69 1530 9 CYS C C 171.595 0.050 1 70 1530 9 CYS CA C 58.632 0.115 1 71 1530 9 CYS CB C 40.803 0.055 1 72 1530 9 CYS N N 124.150 0.058 1 73 1531 10 GLN H H 7.690 0.008 1 74 1531 10 GLN HA H 5.428 0.011 1 75 1531 10 GLN HB2 H 2.011 0.010 1 76 1531 10 GLN HB3 H 2.011 0.010 1 77 1531 10 GLN HE21 H 7.231 0.002 1 78 1531 10 GLN HE22 H 6.776 0.003 1 79 1531 10 GLN HG2 H 2.259 0.009 1 80 1531 10 GLN HG3 H 2.259 0.009 1 81 1531 10 GLN C C 174.301 0.050 1 82 1531 10 GLN CA C 54.167 0.068 1 83 1531 10 GLN CB C 33.508 0.036 1 84 1531 10 GLN CD C 179.951 0.013 1 85 1531 10 GLN CG C 33.386 0.050 1 86 1531 10 GLN N N 113.072 0.055 1 87 1531 10 GLN NE2 N 110.384 0.014 1 88 1532 11 VAL H H 8.818 0.006 1 89 1532 11 VAL HA H 4.622 0.009 1 90 1532 11 VAL HB H 2.245 0.009 1 91 1532 11 VAL HG1 H 1.383 0.006 2 92 1532 11 VAL HG2 H 0.767 0.007 2 93 1532 11 VAL C C 171.901 0.050 1 94 1532 11 VAL CA C 61.557 0.025 1 95 1532 11 VAL CB C 34.216 0.054 1 96 1532 11 VAL CG1 C 23.149 0.077 2 97 1532 11 VAL CG2 C 20.387 0.102 2 98 1532 11 VAL N N 119.641 0.077 1 99 1533 12 THR H H 8.031 0.008 1 100 1533 12 THR HA H 5.568 0.008 1 101 1533 12 THR HB H 3.771 0.004 1 102 1533 12 THR HG2 H 0.919 0.005 1 103 1533 12 THR C C 175.009 0.050 1 104 1533 12 THR CA C 60.078 0.128 1 105 1533 12 THR CB C 70.958 0.159 1 106 1533 12 THR CG2 C 21.657 0.050 1 107 1533 12 THR N N 119.823 0.060 1 108 1534 13 ASN H H 8.223 0.006 1 109 1534 13 ASN HA H 4.378 0.011 1 110 1534 13 ASN HB2 H 2.413 0.006 2 111 1534 13 ASN HB3 H 3.288 0.007 2 112 1534 13 ASN HD21 H 7.326 0.007 1 113 1534 13 ASN HD22 H 9.490 0.008 1 114 1534 13 ASN CA C 49.849 0.050 1 115 1534 13 ASN CB C 38.718 0.050 1 116 1534 13 ASN CG C 176.429 0.020 1 117 1534 13 ASN N N 120.781 0.056 1 118 1534 13 ASN ND2 N 117.830 0.045 1 119 1535 14 PRO HA H 4.331 0.004 1 120 1535 14 PRO HB2 H 2.093 0.006 2 121 1535 14 PRO HB3 H 2.447 0.002 2 122 1535 14 PRO HD2 H 4.278 0.010 2 123 1535 14 PRO HD3 H 3.947 0.002 2 124 1535 14 PRO HG2 H 2.208 0.013 1 125 1535 14 PRO HG3 H 2.208 0.013 1 126 1535 14 PRO C C 177.763 0.050 1 127 1535 14 PRO CA C 64.256 0.055 1 128 1535 14 PRO CB C 32.178 0.030 1 129 1535 14 PRO CD C 51.193 0.126 1 130 1535 14 PRO CG C 27.259 0.050 1 131 1536 15 ALA H H 7.805 0.005 1 132 1536 15 ALA HA H 4.344 0.008 1 133 1536 15 ALA HB H 1.582 0.003 1 134 1536 15 ALA C C 178.820 0.050 1 135 1536 15 ALA CA C 54.207 0.103 1 136 1536 15 ALA CB C 19.554 0.016 1 137 1536 15 ALA N N 117.756 0.050 1 138 1537 16 THR H H 6.824 0.005 1 139 1537 16 THR HA H 4.574 0.050 1 140 1537 16 THR HB H 4.357 0.004 1 141 1537 16 THR HG2 H 1.159 0.007 1 142 1537 16 THR C C 176.315 0.050 1 143 1537 16 THR CA C 60.736 0.070 1 144 1537 16 THR CB C 71.536 0.155 1 145 1537 16 THR CG2 C 21.158 0.050 1 146 1537 16 THR N N 103.143 0.058 1 147 1538 17 GLY H H 8.804 0.005 1 148 1538 17 GLY HA2 H 4.228 0.050 2 149 1538 17 GLY HA3 H 3.576 0.003 2 150 1538 17 GLY C C 173.577 0.050 1 151 1538 17 GLY CA C 45.303 0.033 1 152 1538 17 GLY N N 111.757 0.076 1 153 1539 18 HIS H H 7.916 0.003 1 154 1539 18 HIS HA H 4.051 0.010 1 155 1539 18 HIS HB2 H 3.035 0.003 2 156 1539 18 HIS HB3 H 2.616 0.001 2 157 1539 18 HIS C C 172.562 0.050 1 158 1539 18 HIS CA C 56.878 0.103 1 159 1539 18 HIS CB C 29.665 0.033 1 160 1539 18 HIS N N 119.497 0.045 1 161 1540 19 LEU H H 7.824 0.006 1 162 1540 19 LEU HA H 4.337 0.004 1 163 1540 19 LEU HB2 H 1.227 0.050 2 164 1540 19 LEU HB3 H 1.548 0.006 2 165 1540 19 LEU HD1 H 0.786 0.001 2 166 1540 19 LEU HD2 H 0.744 0.012 2 167 1540 19 LEU HG H 1.147 0.012 1 168 1540 19 LEU C C 174.968 0.050 1 169 1540 19 LEU CA C 54.326 0.025 1 170 1540 19 LEU CB C 43.260 0.018 1 171 1540 19 LEU CD1 C 25.732 0.088 2 172 1540 19 LEU CD2 C 24.045 0.050 2 173 1540 19 LEU CG C 27.073 0.050 1 174 1540 19 LEU N N 128.901 0.046 1 175 1541 20 PHE H H 9.377 0.009 1 176 1541 20 PHE HA H 4.753 0.007 1 177 1541 20 PHE HB2 H 2.711 0.009 2 178 1541 20 PHE HB3 H 3.076 0.023 2 179 1541 20 PHE HD1 H 7.494 0.013 3 180 1541 20 PHE HD2 H 7.494 0.013 3 181 1541 20 PHE HE1 H 6.943 0.050 3 182 1541 20 PHE HE2 H 6.943 0.050 3 183 1541 20 PHE C C 174.449 0.050 1 184 1541 20 PHE CA C 57.146 0.024 1 185 1541 20 PHE CB C 40.512 0.066 1 186 1541 20 PHE CD1 C 132.666 0.017 3 187 1541 20 PHE CD2 C 132.666 0.017 3 188 1541 20 PHE N N 126.611 0.070 1 189 1542 21 ASP H H 8.533 0.005 1 190 1542 21 ASP HA H 5.048 0.006 1 191 1542 21 ASP HB2 H 2.302 0.014 2 192 1542 21 ASP HB3 H 2.991 0.010 2 193 1542 21 ASP C C 176.543 0.050 1 194 1542 21 ASP CA C 53.224 0.060 1 195 1542 21 ASP CB C 43.235 0.080 1 196 1542 21 ASP N N 120.778 0.083 1 197 1543 22 LEU H H 8.207 0.005 1 198 1543 22 LEU HA H 4.438 0.005 1 199 1543 22 LEU HB2 H 1.459 0.024 2 200 1543 22 LEU HB3 H 1.275 0.006 2 201 1543 22 LEU HD1 H -0.271 0.009 2 202 1543 22 LEU HD2 H -0.012 0.007 2 203 1543 22 LEU HG H 1.009 0.006 1 204 1543 22 LEU C C 177.084 0.050 1 205 1543 22 LEU CA C 53.908 0.052 1 206 1543 22 LEU CB C 40.731 0.054 1 207 1543 22 LEU CD1 C 24.234 0.053 2 208 1543 22 LEU CD2 C 22.692 0.017 2 209 1543 22 LEU CG C 27.584 0.107 1 210 1543 22 LEU N N 125.923 0.073 1 211 1544 23 ASN H H 9.016 0.006 1 212 1544 23 ASN HA H 4.207 0.002 1 213 1544 23 ASN HB2 H 2.590 0.027 2 214 1544 23 ASN HB3 H 3.105 0.009 2 215 1544 23 ASN HD21 H 7.208 0.002 1 216 1544 23 ASN HD22 H 8.750 0.009 1 217 1544 23 ASN C C 178.048 0.050 1 218 1544 23 ASN CA C 58.575 0.046 1 219 1544 23 ASN CB C 38.997 0.058 1 220 1544 23 ASN N N 119.340 0.041 1 221 1544 23 ASN ND2 N 116.298 0.023 1 222 1545 24 SER H H 8.753 0.006 1 223 1545 24 SER HA H 4.266 0.002 1 224 1545 24 SER HB2 H 3.876 0.050 2 225 1545 24 SER HB3 H 4.015 0.050 2 226 1545 24 SER C C 175.243 0.050 1 227 1545 24 SER CA C 61.091 0.052 1 228 1545 24 SER CB C 62.459 0.170 1 229 1545 24 SER N N 113.760 0.041 1 230 1546 25 LEU H H 7.873 0.004 1 231 1546 25 LEU HA H 4.455 0.050 1 232 1546 25 LEU HB2 H 1.401 0.004 2 233 1546 25 LEU HB3 H 1.744 0.004 2 234 1546 25 LEU HD1 H -0.041 0.005 2 235 1546 25 LEU HD2 H 0.628 0.009 2 236 1546 25 LEU HG H 1.241 0.013 1 237 1546 25 LEU C C 178.641 0.050 1 238 1546 25 LEU CA C 54.743 0.041 1 239 1546 25 LEU CB C 41.467 0.014 1 240 1546 25 LEU CD1 C 25.073 0.081 2 241 1546 25 LEU CD2 C 21.299 0.087 2 242 1546 25 LEU CG C 26.488 0.030 1 243 1546 25 LEU N N 119.354 0.040 1 244 1547 26 LYS H H 7.549 0.003 1 245 1547 26 LYS HA H 4.370 0.002 1 246 1547 26 LYS HB2 H 1.760 0.002 2 247 1547 26 LYS HB3 H 1.953 0.002 2 248 1547 26 LYS HE2 H 3.053 0.002 1 249 1547 26 LYS HE3 H 3.053 0.002 1 250 1547 26 LYS HG2 H 1.447 0.002 1 251 1547 26 LYS HG3 H 1.447 0.002 1 252 1547 26 LYS C C 175.895 0.050 1 253 1547 26 LYS CA C 58.024 0.028 1 254 1547 26 LYS CB C 32.591 0.010 1 255 1547 26 LYS CD C 29.753 0.050 1 256 1547 26 LYS CE C 42.133 0.050 1 257 1547 26 LYS CG C 24.599 0.050 1 258 1547 26 LYS N N 121.883 0.056 1 259 1548 27 ASN H H 8.059 0.005 1 260 1548 27 ASN HA H 4.731 0.002 1 261 1548 27 ASN HB2 H 3.020 0.050 1 262 1548 27 ASN HB3 H 3.020 0.050 1 263 1548 27 ASN C C 175.341 0.050 1 264 1548 27 ASN CA C 53.108 0.036 1 265 1548 27 ASN CB C 39.689 0.029 1 266 1548 27 ASN N N 120.839 0.054 1 267 1549 28 ASP H H 8.802 0.005 1 268 1549 28 ASP HA H 4.584 0.001 1 269 1549 28 ASP HB2 H 2.679 0.009 1 270 1549 28 ASP HB3 H 2.679 0.009 1 271 1549 28 ASP C C 177.663 0.050 1 272 1549 28 ASP CA C 56.450 0.026 1 273 1549 28 ASP CB C 41.108 0.082 1 274 1549 28 ASP N N 121.237 0.055 1 275 1550 29 SER H H 8.349 0.005 1 276 1550 29 SER HA H 4.223 0.005 1 277 1550 29 SER HB2 H 3.843 0.050 2 278 1550 29 SER HB3 H 3.748 0.050 2 279 1550 29 SER C C 175.618 0.050 1 280 1550 29 SER CA C 60.500 0.049 1 281 1550 29 SER CB C 63.721 0.048 1 282 1550 29 SER N N 114.170 0.060 1 283 1551 30 GLY H H 8.123 0.004 1 284 1551 30 GLY HA2 H 4.204 0.002 2 285 1551 30 GLY HA3 H 3.910 0.009 2 286 1551 30 GLY C C 171.720 0.050 1 287 1551 30 GLY CA C 45.459 0.028 1 288 1551 30 GLY N N 110.443 0.068 1 289 1552 31 TYR H H 9.177 0.009 1 290 1552 31 TYR HA H 4.231 0.050 1 291 1552 31 TYR HB2 H 2.992 0.050 2 292 1552 31 TYR HB3 H 2.526 0.050 2 293 1552 31 TYR HD1 H 7.234 0.006 3 294 1552 31 TYR HD2 H 7.234 0.006 3 295 1552 31 TYR HE1 H 6.229 0.006 3 296 1552 31 TYR HE2 H 6.229 0.006 3 297 1552 31 TYR C C 175.051 0.050 1 298 1552 31 TYR CA C 57.123 0.174 1 299 1552 31 TYR CB C 41.781 0.019 1 300 1552 31 TYR CD1 C 133.000 0.019 3 301 1552 31 TYR CD2 C 133.000 0.019 3 302 1552 31 TYR N N 118.967 0.046 1 303 1553 32 SER H H 8.897 0.009 1 304 1553 32 SER HA H 5.475 0.008 1 305 1553 32 SER HB2 H 3.812 0.004 2 306 1553 32 SER HB3 H 3.681 0.011 2 307 1553 32 SER C C 173.583 0.050 1 308 1553 32 SER CA C 56.723 0.030 1 309 1553 32 SER CB C 66.038 0.155 1 310 1553 32 SER N N 117.473 0.064 1 311 1554 33 VAL H H 9.134 0.009 1 312 1554 33 VAL HA H 4.423 0.005 1 313 1554 33 VAL HB H 2.143 0.004 1 314 1554 33 VAL HG1 H 1.066 0.006 2 315 1554 33 VAL HG2 H 0.858 0.003 2 316 1554 33 VAL C C 173.963 0.050 1 317 1554 33 VAL CA C 60.471 0.033 1 318 1554 33 VAL CB C 35.151 0.029 1 319 1554 33 VAL CG1 C 22.399 0.146 2 320 1554 33 VAL CG2 C 21.330 0.057 2 321 1554 33 VAL N N 121.357 0.031 1 322 1555 34 ALA H H 8.554 0.006 1 323 1555 34 ALA HA H 4.332 0.005 1 324 1555 34 ALA HB H 1.519 0.005 1 325 1555 34 ALA C C 174.961 0.050 1 326 1555 34 ALA CA C 52.964 0.040 1 327 1555 34 ALA CB C 19.159 0.126 1 328 1555 34 ALA N N 127.649 0.049 1 329 1556 35 TYR H H 8.657 0.005 1 330 1556 35 TYR HA H 4.769 0.005 1 331 1556 35 TYR HB2 H 2.609 0.008 2 332 1556 35 TYR HB3 H 2.449 0.002 2 333 1556 35 TYR HD1 H 6.761 0.008 3 334 1556 35 TYR HD2 H 6.761 0.008 3 335 1556 35 TYR HE1 H 6.586 0.002 3 336 1556 35 TYR HE2 H 6.586 0.002 3 337 1556 35 TYR C C 174.215 0.050 1 338 1556 35 TYR CA C 55.913 0.058 1 339 1556 35 TYR CB C 38.918 0.086 1 340 1556 35 TYR CD1 C 131.949 0.086 3 341 1556 35 TYR CD2 C 131.949 0.086 3 342 1556 35 TYR CE1 C 117.875 0.086 3 343 1556 35 TYR CE2 C 117.875 0.086 3 344 1556 35 TYR N N 117.441 0.065 1 345 1557 36 SER H H 7.602 0.008 1 346 1557 36 SER HA H 4.202 0.050 1 347 1557 36 SER HB2 H 3.736 0.008 1 348 1557 36 SER HB3 H 3.736 0.008 1 349 1557 36 SER C C 174.558 0.050 1 350 1557 36 SER CA C 58.754 0.046 1 351 1557 36 SER CB C 63.783 0.042 1 352 1557 36 SER N N 117.091 0.056 1 353 1558 37 GLU H H 7.377 0.017 1 354 1558 37 GLU HA H 4.246 0.094 1 355 1558 37 GLU HB2 H 1.877 0.050 2 356 1558 37 GLU HB3 H 2.104 0.050 2 357 1558 37 GLU HG2 H 2.145 0.050 2 358 1558 37 GLU HG3 H 2.251 0.050 2 359 1558 37 GLU C C 176.003 0.050 1 360 1558 37 GLU CA C 57.331 0.065 1 361 1558 37 GLU CB C 29.551 0.083 1 362 1558 37 GLU CG C 36.261 0.050 1 363 1558 37 GLU N N 119.616 0.080 1 364 1559 38 LYS H H 7.987 0.004 1 365 1559 38 LYS HA H 4.380 0.016 1 366 1559 38 LYS HB2 H 1.854 0.016 1 367 1559 38 LYS HB3 H 1.854 0.016 1 368 1559 38 LYS HD2 H 1.620 0.050 1 369 1559 38 LYS HD3 H 1.620 0.050 1 370 1559 38 LYS HE2 H 2.949 0.050 1 371 1559 38 LYS HE3 H 2.949 0.050 1 372 1559 38 LYS HG2 H 1.277 0.001 1 373 1559 38 LYS HG3 H 1.277 0.001 1 374 1559 38 LYS C C 176.393 0.050 1 375 1559 38 LYS CA C 55.871 0.031 1 376 1559 38 LYS CB C 32.816 0.345 1 377 1559 38 LYS CD C 28.731 0.050 1 378 1559 38 LYS CE C 42.080 0.050 1 379 1559 38 LYS CG C 24.909 0.078 1 380 1559 38 LYS N N 116.211 0.071 1 381 1560 39 GLY H H 7.941 0.005 1 382 1560 39 GLY HA2 H 3.959 0.050 1 383 1560 39 GLY HA3 H 3.959 0.050 1 384 1560 39 GLY C C 172.826 0.050 1 385 1560 39 GLY CA C 44.934 0.050 1 386 1560 39 GLY N N 109.183 0.038 1 387 1561 40 LEU H H 8.380 0.002 1 388 1561 40 LEU HA H 4.819 0.006 1 389 1561 40 LEU HB2 H 1.431 0.012 2 390 1561 40 LEU HB3 H 1.015 0.050 2 391 1561 40 LEU HD1 H 0.760 0.005 2 392 1561 40 LEU HD2 H 0.839 0.007 2 393 1561 40 LEU HG H 1.446 0.001 1 394 1561 40 LEU C C 176.133 0.050 1 395 1561 40 LEU CA C 54.578 0.003 1 396 1561 40 LEU CB C 44.968 0.134 1 397 1561 40 LEU CD1 C 23.453 0.243 2 398 1561 40 LEU CD2 C 25.127 0.034 2 399 1561 40 LEU CG C 27.091 0.041 1 400 1561 40 LEU N N 122.578 0.054 1 401 1562 41 ILE H H 8.759 0.009 1 402 1562 41 ILE HA H 4.547 0.002 1 403 1562 41 ILE HB H 1.568 0.008 1 404 1562 41 ILE HD1 H 0.146 0.009 1 405 1562 41 ILE HG12 H 0.480 0.011 2 406 1562 41 ILE HG13 H 1.395 0.009 2 407 1562 41 ILE HG2 H 0.815 0.007 1 408 1562 41 ILE C C 174.152 0.050 1 409 1562 41 ILE CA C 60.274 0.023 1 410 1562 41 ILE CB C 40.854 0.036 1 411 1562 41 ILE CD1 C 14.064 0.032 1 412 1562 41 ILE CG1 C 28.162 0.080 1 413 1562 41 ILE CG2 C 18.868 0.029 1 414 1562 41 ILE N N 122.705 0.066 1 415 1563 42 TYR H H 8.867 0.007 1 416 1563 42 TYR HA H 4.561 0.006 1 417 1563 42 TYR HB2 H 2.972 0.013 1 418 1563 42 TYR HB3 H 2.972 0.013 1 419 1563 42 TYR HD1 H 7.089 0.007 3 420 1563 42 TYR HD2 H 7.089 0.007 3 421 1563 42 TYR HE1 H 6.757 0.050 3 422 1563 42 TYR HE2 H 6.757 0.050 3 423 1563 42 TYR C C 177.781 0.050 1 424 1563 42 TYR CA C 57.229 0.054 1 425 1563 42 TYR CB C 40.783 0.064 1 426 1563 42 TYR CD1 C 132.803 0.050 3 427 1563 42 TYR CD2 C 132.803 0.050 3 428 1563 42 TYR CE1 C 117.361 0.050 3 429 1563 42 TYR CE2 C 117.361 0.050 3 430 1563 42 TYR N N 125.305 0.075 1 431 1564 43 ILE H H 8.661 0.006 1 432 1564 43 ILE HA H 5.399 0.004 1 433 1564 43 ILE HB H 1.506 0.009 1 434 1564 43 ILE HD1 H 0.103 0.010 1 435 1564 43 ILE HG12 H 0.663 0.020 2 436 1564 43 ILE HG13 H 1.425 0.007 2 437 1564 43 ILE HG2 H 0.689 0.005 1 438 1564 43 ILE C C 175.013 0.050 1 439 1564 43 ILE CA C 59.895 0.037 1 440 1564 43 ILE CB C 43.457 0.045 1 441 1564 43 ILE CD1 C 13.979 0.025 1 442 1564 43 ILE CG1 C 27.704 0.095 1 443 1564 43 ILE CG2 C 17.448 0.184 1 444 1564 43 ILE N N 117.419 0.080 1 445 1565 44 GLY H H 9.358 0.008 1 446 1565 44 GLY HA2 H 3.617 0.050 2 447 1565 44 GLY HA3 H 4.774 0.003 2 448 1565 44 GLY C C 173.655 0.050 1 449 1565 44 GLY CA C 43.596 0.030 1 450 1565 44 GLY N N 113.165 0.049 1 451 1566 45 ILE H H 8.839 0.005 1 452 1566 45 ILE HA H 4.281 0.018 1 453 1566 45 ILE HB H 2.168 0.007 1 454 1566 45 ILE HD1 H 0.876 0.006 1 455 1566 45 ILE HG12 H 1.515 0.001 2 456 1566 45 ILE HG13 H 1.877 0.004 2 457 1566 45 ILE HG2 H 0.825 0.008 1 458 1566 45 ILE C C 174.381 0.050 1 459 1566 45 ILE CA C 57.730 0.034 1 460 1566 45 ILE CB C 36.610 0.261 1 461 1566 45 ILE CD1 C 9.710 0.089 1 462 1566 45 ILE CG1 C 27.286 0.050 1 463 1566 45 ILE CG2 C 16.983 0.070 1 464 1566 45 ILE N N 123.270 0.043 1 465 1567 46 CYS H H 8.108 0.006 1 466 1567 46 CYS HA H 4.403 0.007 1 467 1567 46 CYS HB2 H 2.990 0.002 2 468 1567 46 CYS HB3 H 4.105 0.005 2 469 1567 46 CYS C C 170.994 0.050 1 470 1567 46 CYS CA C 56.324 0.010 1 471 1567 46 CYS CB C 41.302 0.062 1 472 1567 46 CYS N N 118.394 0.058 1 473 1568 47 GLY H H 6.859 0.004 1 474 1568 47 GLY HA2 H 1.149 0.002 2 475 1568 47 GLY HA3 H 2.990 0.004 2 476 1568 47 GLY C C 170.993 0.050 1 477 1568 47 GLY CA C 43.227 0.050 1 478 1568 47 GLY N N 101.392 0.075 1 479 1569 48 GLY H H 6.681 0.006 1 480 1569 48 GLY HA2 H 3.494 0.006 2 481 1569 48 GLY HA3 H 3.826 0.006 2 482 1569 48 GLY C C 172.984 0.050 1 483 1569 48 GLY CA C 43.461 0.096 1 484 1569 48 GLY N N 99.938 0.054 1 485 1570 49 THR H H 8.570 0.006 1 486 1570 49 THR HA H 4.821 0.008 1 487 1570 49 THR HB H 4.039 0.004 1 488 1570 49 THR HG2 H 1.022 0.003 1 489 1570 49 THR C C 174.551 0.050 1 490 1570 49 THR CA C 58.131 0.050 1 491 1570 49 THR CB C 70.851 0.108 1 492 1570 49 THR CG2 C 20.739 0.050 1 493 1570 49 THR N N 110.567 0.037 1 494 1571 50 LYS H H 8.104 0.004 1 495 1571 50 LYS HA H 4.260 0.004 1 496 1571 50 LYS HB2 H 1.774 0.069 1 497 1571 50 LYS HB3 H 1.774 0.069 1 498 1571 50 LYS HD2 H 1.799 0.050 1 499 1571 50 LYS HD3 H 1.799 0.050 1 500 1571 50 LYS HE2 H 2.916 0.005 1 501 1571 50 LYS HE3 H 2.916 0.005 1 502 1571 50 LYS HG2 H 1.277 0.004 2 503 1571 50 LYS HG3 H 1.442 0.005 2 504 1571 50 LYS C C 176.483 0.050 1 505 1571 50 LYS CA C 57.751 0.021 1 506 1571 50 LYS CB C 32.023 0.060 1 507 1571 50 LYS CD C 29.174 0.050 1 508 1571 50 LYS CE C 40.056 0.050 1 509 1571 50 LYS CG C 23.866 0.248 1 510 1571 50 LYS N N 123.879 0.046 1 511 1572 51 ASN H H 7.646 0.009 1 512 1572 51 ASN HA H 4.362 0.011 1 513 1572 51 ASN HB2 H 1.583 0.005 2 514 1572 51 ASN HB3 H 1.787 0.004 2 515 1572 51 ASN C C 173.497 0.050 1 516 1572 51 ASN CA C 54.163 0.030 1 517 1572 51 ASN CB C 40.085 0.022 1 518 1572 51 ASN N N 115.343 0.092 1 519 1573 52 CYS H H 7.685 0.004 1 520 1573 52 CYS HA H 5.354 0.007 1 521 1573 52 CYS HB2 H 2.482 0.005 2 522 1573 52 CYS HB3 H 3.032 0.003 2 523 1573 52 CYS CA C 51.011 0.086 1 524 1573 52 CYS CB C 40.277 0.050 1 525 1573 52 CYS N N 115.723 0.051 1 526 1574 53 PRO HA H 4.517 0.008 1 527 1574 53 PRO HB2 H 1.901 0.003 2 528 1574 53 PRO HB3 H 2.540 0.015 2 529 1574 53 PRO HG2 H 2.112 0.050 2 530 1574 53 PRO HG3 H 2.328 0.050 2 531 1574 53 PRO C C 174.756 0.050 1 532 1574 53 PRO CA C 62.549 0.178 1 533 1574 53 PRO CB C 32.493 0.028 1 534 1574 53 PRO CD C 51.354 0.050 1 535 1574 53 PRO CG C 27.891 0.050 1 536 1575 54 SER H H 8.420 0.004 1 537 1575 54 SER HA H 4.364 0.050 1 538 1575 54 SER HB2 H 3.943 0.001 1 539 1575 54 SER HB3 H 3.943 0.001 1 540 1575 54 SER C C 175.979 0.050 1 541 1575 54 SER CA C 60.503 0.079 1 542 1575 54 SER CB C 63.210 0.076 1 543 1575 54 SER N N 114.626 0.061 1 544 1576 55 GLY H H 9.734 0.011 1 545 1576 55 GLY HA2 H 3.546 0.010 2 546 1576 55 GLY HA3 H 4.367 0.050 2 547 1576 55 GLY C C 174.696 0.050 1 548 1576 55 GLY CA C 45.191 0.043 1 549 1576 55 GLY N N 114.877 0.057 1 550 1577 56 VAL H H 8.431 0.005 1 551 1577 56 VAL HA H 3.935 0.005 1 552 1577 56 VAL HB H 2.450 0.005 1 553 1577 56 VAL HG1 H 0.911 0.007 2 554 1577 56 VAL HG2 H 1.200 0.004 2 555 1577 56 VAL C C 176.183 0.050 1 556 1577 56 VAL CA C 64.660 0.062 1 557 1577 56 VAL CB C 31.793 0.031 1 558 1577 56 VAL CG1 C 22.160 0.016 2 559 1577 56 VAL CG2 C 24.456 0.050 2 560 1577 56 VAL N N 123.637 0.049 1 561 1578 57 GLY H H 10.067 0.013 1 562 1578 57 GLY HA2 H 3.764 0.050 2 563 1578 57 GLY HA3 H 4.463 0.050 2 564 1578 57 GLY C C 171.361 0.050 1 565 1578 57 GLY CA C 47.164 0.009 1 566 1578 57 GLY N N 116.593 0.088 1 567 1579 58 VAL H H 7.531 0.003 1 568 1579 58 VAL HA H 5.512 0.040 1 569 1579 58 VAL HB H 1.892 0.005 1 570 1579 58 VAL HG1 H 0.908 0.009 2 571 1579 58 VAL HG2 H 1.050 0.010 2 572 1579 58 VAL C C 174.118 0.050 1 573 1579 58 VAL CA C 60.654 0.068 1 574 1579 58 VAL CB C 36.184 0.098 1 575 1579 58 VAL CG1 C 22.056 0.534 2 576 1579 58 VAL CG2 C 21.810 0.093 2 577 1579 58 VAL N N 119.575 0.056 1 578 1580 59 CYS H H 9.188 0.010 1 579 1580 59 CYS HA H 6.102 0.007 1 580 1580 59 CYS HB2 H 3.271 0.005 2 581 1580 59 CYS HB3 H 2.615 0.008 2 582 1580 59 CYS C C 172.580 0.050 1 583 1580 59 CYS CA C 54.831 0.168 1 584 1580 59 CYS CB C 42.667 0.040 1 585 1580 59 CYS N N 119.594 0.072 1 586 1581 60 PHE H H 7.966 0.005 1 587 1581 60 PHE HA H 5.384 0.004 1 588 1581 60 PHE HB2 H 2.872 0.050 2 589 1581 60 PHE HB3 H 2.821 0.050 2 590 1581 60 PHE HD1 H 6.783 0.050 3 591 1581 60 PHE HD2 H 6.783 0.050 3 592 1581 60 PHE HE1 H 6.876 0.050 3 593 1581 60 PHE HE2 H 6.876 0.050 3 594 1581 60 PHE C C 175.256 0.050 1 595 1581 60 PHE CA C 56.498 0.034 1 596 1581 60 PHE CB C 43.316 0.056 1 597 1581 60 PHE CD1 C 131.278 0.056 3 598 1581 60 PHE CD2 C 131.278 0.056 3 599 1581 60 PHE N N 116.074 0.079 1 600 1582 61 GLY H H 8.633 0.005 1 601 1582 61 GLY HA2 H 4.143 0.050 2 602 1582 61 GLY HA3 H 4.366 0.050 2 603 1582 61 GLY C C 175.698 0.050 1 604 1582 61 GLY CA C 45.471 0.020 1 605 1582 61 GLY N N 107.872 0.087 1 606 1583 62 LEU H H 8.928 0.010 1 607 1583 62 LEU HA H 4.294 0.010 1 608 1583 62 LEU HB2 H 1.733 0.006 2 609 1583 62 LEU HB3 H 1.920 0.006 2 610 1583 62 LEU HD1 H 1.037 0.050 2 611 1583 62 LEU HD2 H 1.005 0.003 2 612 1583 62 LEU C C 179.289 0.050 1 613 1583 62 LEU CA C 58.134 0.037 1 614 1583 62 LEU CB C 42.222 0.037 1 615 1583 62 LEU CD1 C 24.806 0.050 2 616 1583 62 LEU CD2 C 23.479 0.029 2 617 1583 62 LEU N N 120.831 0.044 1 618 1584 63 THR H H 7.982 0.004 1 619 1584 63 THR HA H 4.359 0.002 1 620 1584 63 THR HB H 4.478 0.003 1 621 1584 63 THR HG2 H 1.225 0.003 1 622 1584 63 THR C C 174.102 0.050 1 623 1584 63 THR CA C 61.086 0.057 1 624 1584 63 THR CB C 69.017 0.131 1 625 1584 63 THR CG2 C 21.899 0.050 1 626 1584 63 THR N N 105.821 0.064 1 627 1585 64 LYS H H 7.799 0.004 1 628 1585 64 LYS HA H 3.481 0.010 1 629 1585 64 LYS HB2 H 2.156 0.050 1 630 1585 64 LYS HB3 H 2.156 0.050 1 631 1585 64 LYS HD2 H 1.716 0.015 1 632 1585 64 LYS HD3 H 1.716 0.015 1 633 1585 64 LYS HE2 H 3.064 0.050 1 634 1585 64 LYS HE3 H 3.064 0.050 1 635 1585 64 LYS HG2 H 1.348 0.011 2 636 1585 64 LYS HG3 H 1.451 0.011 2 637 1585 64 LYS C C 174.611 0.050 1 638 1585 64 LYS CA C 57.148 0.112 1 639 1585 64 LYS CB C 29.620 0.015 1 640 1585 64 LYS CD C 29.397 0.050 1 641 1585 64 LYS CG C 25.254 0.050 1 642 1585 64 LYS N N 118.395 0.044 1 643 1586 65 ILE H H 7.765 0.008 1 644 1586 65 ILE HA H 3.571 0.009 1 645 1586 65 ILE HB H 0.655 0.050 1 646 1586 65 ILE HD1 H 0.685 0.012 1 647 1586 65 ILE HG12 H 1.346 0.010 2 648 1586 65 ILE HG13 H 0.955 0.011 2 649 1586 65 ILE HG2 H 0.475 0.009 1 650 1586 65 ILE C C 175.888 0.050 1 651 1586 65 ILE CA C 62.167 0.096 1 652 1586 65 ILE CB C 37.829 0.035 1 653 1586 65 ILE CD1 C 12.579 0.071 1 654 1586 65 ILE CG1 C 28.547 0.034 1 655 1586 65 ILE CG2 C 17.365 0.239 1 656 1586 65 ILE N N 121.720 0.058 1 657 1587 66 ASN H H 7.984 0.003 1 658 1587 66 ASN HA H 4.569 0.050 1 659 1587 66 ASN HB2 H 3.172 0.009 2 660 1587 66 ASN HB3 H 3.026 0.050 2 661 1587 66 ASN HD21 H 6.401 0.004 1 662 1587 66 ASN HD22 H 7.546 0.002 1 663 1587 66 ASN C C 173.654 0.050 1 664 1587 66 ASN CA C 53.125 0.057 1 665 1587 66 ASN CB C 38.233 0.049 1 666 1587 66 ASN CG C 175.012 0.002 1 667 1587 66 ASN N N 123.253 0.066 1 668 1587 66 ASN ND2 N 107.991 0.038 1 669 1588 67 ALA H H 9.254 0.009 1 670 1588 67 ALA HA H 4.690 0.050 1 671 1588 67 ALA HB H 1.217 0.005 1 672 1588 67 ALA C C 175.296 0.050 1 673 1588 67 ALA CA C 50.389 0.046 1 674 1588 67 ALA CB C 18.527 0.067 1 675 1588 67 ALA N N 131.821 0.047 1 676 1589 68 GLY H H 8.810 0.005 1 677 1589 68 GLY HA2 H 4.629 0.050 2 678 1589 68 GLY HA3 H 3.184 0.050 2 679 1589 68 GLY C C 174.343 0.050 1 680 1589 68 GLY CA C 46.051 0.016 1 681 1589 68 GLY N N 108.131 0.053 1 682 1590 69 SER H H 9.044 0.007 1 683 1590 69 SER HA H 4.556 0.050 1 684 1590 69 SER HB2 H 3.943 0.006 1 685 1590 69 SER HB3 H 3.943 0.006 1 686 1590 69 SER C C 174.147 0.050 1 687 1590 69 SER CA C 59.422 0.049 1 688 1590 69 SER CB C 63.512 0.021 1 689 1590 69 SER N N 125.709 0.048 1 690 1591 70 TRP H H 7.072 0.005 1 691 1591 70 TRP HA H 4.871 0.050 1 692 1591 70 TRP HB2 H 2.323 0.050 2 693 1591 70 TRP HB3 H 2.779 0.006 2 694 1591 70 TRP HD1 H 6.338 0.006 1 695 1591 70 TRP HE1 H 10.396 0.014 1 696 1591 70 TRP HZ2 H 6.677 0.003 1 697 1591 70 TRP C C 174.602 0.050 1 698 1591 70 TRP CA C 56.144 0.064 1 699 1591 70 TRP CB C 29.725 0.015 1 700 1591 70 TRP CD1 C 125.479 0.050 1 701 1591 70 TRP CZ2 C 115.745 0.050 1 702 1591 70 TRP N N 121.102 0.077 1 703 1591 70 TRP NE1 N 129.513 0.021 1 704 1592 71 ASN H H 7.388 0.007 1 705 1592 71 ASN HA H 4.630 0.003 1 706 1592 71 ASN HB2 H 3.127 0.012 2 707 1592 71 ASN HB3 H 2.923 0.050 2 708 1592 71 ASN HD21 H 6.821 0.007 1 709 1592 71 ASN HD22 H 7.523 0.007 1 710 1592 71 ASN C C 172.640 0.050 1 711 1592 71 ASN CA C 53.645 0.151 1 712 1592 71 ASN CB C 41.251 0.061 1 713 1592 71 ASN N N 113.992 0.085 1 714 1592 71 ASN ND2 N 111.586 0.005 1 715 1593 72 SER H H 9.005 0.009 1 716 1593 72 SER HA H 5.284 0.005 1 717 1593 72 SER HB2 H 4.240 0.050 2 718 1593 72 SER HB3 H 3.934 0.009 2 719 1593 72 SER C C 174.751 0.050 1 720 1593 72 SER CA C 56.359 0.087 1 721 1593 72 SER CB C 63.517 0.070 1 722 1593 72 SER N N 112.333 0.115 1 723 1594 73 GLN H H 8.644 0.007 1 724 1594 73 GLN HA H 4.750 0.050 1 725 1594 73 GLN HB2 H 2.053 0.050 2 726 1594 73 GLN HB3 H 2.244 0.050 2 727 1594 73 GLN HE21 H 6.946 0.050 1 728 1594 73 GLN HE22 H 7.675 0.050 1 729 1594 73 GLN HG2 H 2.453 0.050 1 730 1594 73 GLN HG3 H 2.453 0.050 1 731 1594 73 GLN C C 173.817 0.050 1 732 1594 73 GLN CA C 54.620 0.032 1 733 1594 73 GLN CB C 27.508 0.083 1 734 1594 73 GLN CG C 34.342 0.050 1 735 1594 73 GLN N N 124.227 0.103 1 736 1594 73 GLN NE2 N 112.299 0.003 1 737 1595 74 LEU H H 8.311 0.009 1 738 1595 74 LEU HA H 4.497 0.050 1 739 1595 74 LEU HB2 H 0.936 0.006 2 740 1595 74 LEU HB3 H 1.734 0.007 2 741 1595 74 LEU HD1 H 0.718 0.010 2 742 1595 74 LEU HD2 H 0.594 0.007 2 743 1595 74 LEU HG H 1.461 0.008 1 744 1595 74 LEU C C 175.370 0.050 1 745 1595 74 LEU CA C 55.433 0.009 1 746 1595 74 LEU CB C 43.910 0.021 1 747 1595 74 LEU CD1 C 24.221 0.010 2 748 1595 74 LEU CD2 C 26.583 0.033 2 749 1595 74 LEU CG C 26.439 0.011 1 750 1595 74 LEU N N 129.642 0.051 1 751 1596 75 MET H H 9.097 0.008 1 752 1596 75 MET HA H 5.014 0.006 1 753 1596 75 MET HB2 H 2.077 0.005 1 754 1596 75 MET HB3 H 2.077 0.005 1 755 1596 75 MET HG2 H 2.222 0.007 1 756 1596 75 MET HG3 H 2.222 0.007 1 757 1596 75 MET C C 174.338 0.050 1 758 1596 75 MET CA C 54.592 0.027 1 759 1596 75 MET CB C 36.806 0.102 1 760 1596 75 MET CG C 31.853 0.050 1 761 1596 75 MET N N 123.840 0.089 1 762 1597 76 TYR H H 8.996 0.008 1 763 1597 76 TYR HA H 4.910 0.005 1 764 1597 76 TYR HB2 H 3.208 0.010 2 765 1597 76 TYR HB3 H 2.636 0.016 2 766 1597 76 TYR HD1 H 6.904 0.009 3 767 1597 76 TYR HD2 H 6.904 0.009 3 768 1597 76 TYR HE1 H 6.838 0.003 3 769 1597 76 TYR HE2 H 6.838 0.003 3 770 1597 76 TYR C C 174.511 0.050 1 771 1597 76 TYR CA C 57.926 0.032 1 772 1597 76 TYR CB C 40.002 0.124 1 773 1597 76 TYR CD1 C 132.532 0.035 3 774 1597 76 TYR CD2 C 132.532 0.035 3 775 1597 76 TYR CE1 C 117.117 0.035 3 776 1597 76 TYR CE2 C 117.117 0.035 3 777 1597 76 TYR N N 124.114 0.049 1 778 1598 77 VAL H H 8.621 0.006 1 779 1598 77 VAL HA H 4.223 0.001 1 780 1598 77 VAL HB H 1.893 0.002 1 781 1598 77 VAL HG1 H 0.844 0.002 1 782 1598 77 VAL HG2 H 0.844 0.002 1 783 1598 77 VAL C C 174.972 0.050 1 784 1598 77 VAL CA C 60.725 0.035 1 785 1598 77 VAL CB C 33.661 0.039 1 786 1598 77 VAL CG1 C 20.562 0.050 1 787 1598 77 VAL CG2 C 20.562 0.050 1 788 1598 77 VAL N N 128.170 0.065 1 789 1599 78 ASP H H 8.985 0.008 1 790 1599 78 ASP HA H 4.233 0.011 1 791 1599 78 ASP HB2 H 2.897 0.010 2 792 1599 78 ASP HB3 H 2.534 0.010 2 793 1599 78 ASP C C 174.229 0.050 1 794 1599 78 ASP CA C 55.759 0.110 1 795 1599 78 ASP CB C 39.530 0.069 1 796 1599 78 ASP N N 126.619 0.051 1 797 1600 79 GLN H H 6.788 0.010 1 798 1600 79 GLN HA H 3.540 0.007 1 799 1600 79 GLN HB2 H 2.541 0.050 2 800 1600 79 GLN HB3 H 2.385 0.050 2 801 1600 79 GLN HG2 H 2.429 0.050 2 802 1600 79 GLN HG3 H 2.356 0.050 2 803 1600 79 GLN C C 174.242 0.050 1 804 1600 79 GLN CA C 58.258 0.120 1 805 1600 79 GLN CB C 27.697 0.053 1 806 1600 79 GLN CG C 35.072 0.050 1 807 1600 79 GLN N N 104.883 0.052 1 808 1601 80 VAL H H 7.605 0.005 1 809 1601 80 VAL HA H 4.449 0.003 1 810 1601 80 VAL HB H 2.107 0.006 1 811 1601 80 VAL HG1 H 0.922 0.006 2 812 1601 80 VAL HG2 H 0.885 0.010 2 813 1601 80 VAL C C 174.205 0.050 1 814 1601 80 VAL CA C 60.820 0.025 1 815 1601 80 VAL CB C 34.222 0.072 1 816 1601 80 VAL CG1 C 21.364 0.050 2 817 1601 80 VAL CG2 C 21.176 0.188 2 818 1601 80 VAL N N 120.496 0.044 1 819 1602 81 LEU H H 8.392 0.006 1 820 1602 81 LEU HA H 5.459 0.013 1 821 1602 81 LEU HB2 H 1.495 0.009 2 822 1602 81 LEU HB3 H 1.706 0.006 2 823 1602 81 LEU HD1 H 0.179 0.009 2 824 1602 81 LEU HD2 H 0.500 0.024 2 825 1602 81 LEU HG H 1.392 0.002 1 826 1602 81 LEU C C 176.840 0.050 1 827 1602 81 LEU CA C 52.372 0.105 1 828 1602 81 LEU CB C 42.873 0.004 1 829 1602 81 LEU CD1 C 23.159 0.020 2 830 1602 81 LEU CD2 C 25.245 0.031 2 831 1602 81 LEU CG C 27.023 0.014 1 832 1602 81 LEU N N 124.087 0.058 1 833 1603 82 GLN H H 9.350 0.009 1 834 1603 82 GLN HA H 6.041 0.005 1 835 1603 82 GLN HB2 H 1.783 0.050 2 836 1603 82 GLN HB3 H 1.915 0.050 2 837 1603 82 GLN HE21 H 6.617 0.003 1 838 1603 82 GLN HE22 H 6.719 0.005 1 839 1603 82 GLN HG2 H 2.138 0.010 2 840 1603 82 GLN HG3 H 2.185 0.050 2 841 1603 82 GLN C C 175.002 0.050 1 842 1603 82 GLN CA C 54.911 0.104 1 843 1603 82 GLN CB C 35.110 0.053 1 844 1603 82 GLN CG C 35.225 0.050 1 845 1603 82 GLN N N 121.203 0.067 1 846 1603 82 GLN NE2 N 108.656 0.027 1 847 1604 83 LEU H H 8.828 0.007 1 848 1604 83 LEU HA H 4.913 0.004 1 849 1604 83 LEU HB2 H 1.500 0.006 1 850 1604 83 LEU HB3 H 1.500 0.006 1 851 1604 83 LEU HD1 H 1.320 0.020 2 852 1604 83 LEU HD2 H 1.127 0.019 2 853 1604 83 LEU HG H 1.790 0.007 1 854 1604 83 LEU C C 175.285 0.050 1 855 1604 83 LEU CA C 53.739 0.064 1 856 1604 83 LEU CB C 46.850 0.042 1 857 1604 83 LEU CD1 C 26.835 0.021 2 858 1604 83 LEU CD2 C 23.014 0.091 2 859 1604 83 LEU CG C 27.118 0.050 1 860 1604 83 LEU N N 122.358 0.045 1 861 1605 84 VAL H H 9.596 0.009 1 862 1605 84 VAL HA H 4.800 0.004 1 863 1605 84 VAL HB H 2.150 0.050 1 864 1605 84 VAL HG1 H 0.968 0.050 1 865 1605 84 VAL HG2 H 0.968 0.050 1 866 1605 84 VAL C C 175.696 0.050 1 867 1605 84 VAL CA C 61.657 0.027 1 868 1605 84 VAL CB C 33.797 0.030 1 869 1605 84 VAL CG1 C 21.184 0.050 1 870 1605 84 VAL CG2 C 21.184 0.050 1 871 1605 84 VAL N N 121.361 0.078 1 872 1606 85 TYR H H 9.671 0.009 1 873 1606 85 TYR HA H 5.229 0.006 1 874 1606 85 TYR HB2 H 2.914 0.006 2 875 1606 85 TYR HB3 H 3.273 0.005 2 876 1606 85 TYR C C 173.989 0.050 1 877 1606 85 TYR CA C 52.374 0.082 1 878 1606 85 TYR CB C 37.579 0.039 1 879 1606 85 TYR N N 130.168 0.047 1 880 1607 86 ASP H H 8.457 0.006 1 881 1607 86 ASP HA H 5.217 0.006 1 882 1607 86 ASP HB2 H 2.806 0.050 2 883 1607 86 ASP HB3 H 2.867 0.050 2 884 1607 86 ASP C C 175.781 0.050 1 885 1607 86 ASP CA C 51.716 0.104 1 886 1607 86 ASP CB C 43.316 0.018 1 887 1607 86 ASP N N 123.929 0.040 1 888 1608 87 ASP H H 9.734 0.011 1 889 1608 87 ASP HA H 4.306 0.003 1 890 1608 87 ASP HB2 H 2.614 0.006 2 891 1608 87 ASP HB3 H 3.113 0.007 2 892 1608 87 ASP C C 176.851 0.050 1 893 1608 87 ASP CA C 55.803 0.104 1 894 1608 87 ASP CB C 39.016 0.008 1 895 1608 87 ASP N N 115.937 0.048 1 896 1609 88 GLY H H 8.082 0.004 1 897 1609 88 GLY HA2 H 3.557 0.050 2 898 1609 88 GLY HA3 H 4.332 0.050 2 899 1609 88 GLY C C 172.317 0.050 1 900 1609 88 GLY CA C 44.383 0.028 1 901 1609 88 GLY N N 105.496 0.067 1 902 1610 89 ALA H H 9.102 0.004 1 903 1610 89 ALA HA H 4.690 0.002 1 904 1610 89 ALA HB H 1.724 0.050 1 905 1610 89 ALA CA C 51.210 0.050 1 906 1610 89 ALA CB C 17.763 0.050 1 907 1610 89 ALA N N 120.522 0.041 1 908 1611 90 PRO HA H 4.526 0.004 1 909 1611 90 PRO HB2 H 1.857 0.050 2 910 1611 90 PRO HB3 H 2.464 0.050 2 911 1611 90 PRO HD2 H 3.740 0.050 2 912 1611 90 PRO HD3 H 3.991 0.050 2 913 1611 90 PRO HG2 H 2.018 0.050 2 914 1611 90 PRO HG3 H 2.247 0.050 2 915 1611 90 PRO C C 175.750 0.050 1 916 1611 90 PRO CA C 63.975 0.298 1 917 1611 90 PRO CB C 32.072 0.002 1 918 1611 90 PRO CD C 50.120 0.050 1 919 1611 90 PRO CG C 28.483 0.084 1 920 1612 91 CYS H H 8.327 0.005 1 921 1612 91 CYS HA H 4.844 0.009 1 922 1612 91 CYS HB2 H 2.243 0.050 2 923 1612 91 CYS HB3 H 2.679 0.050 2 924 1612 91 CYS CA C 51.965 0.019 1 925 1612 91 CYS CB C 42.677 0.050 1 926 1612 91 CYS N N 122.692 0.118 1 927 1613 92 PRO HA H 4.510 0.007 1 928 1613 92 PRO HB2 H 2.094 0.015 2 929 1613 92 PRO HB3 H 2.354 0.003 2 930 1613 92 PRO HD2 H 3.761 0.050 2 931 1613 92 PRO HD3 H 4.130 0.050 2 932 1613 92 PRO HG2 H 2.228 0.050 2 933 1613 92 PRO HG3 H 2.141 0.050 2 934 1613 92 PRO C C 176.559 0.050 1 935 1613 92 PRO CA C 64.296 0.006 1 936 1613 92 PRO CB C 31.269 0.059 1 937 1613 92 PRO CD C 51.614 0.097 1 938 1613 92 PRO CG C 27.854 0.050 1 939 1614 93 SER H H 7.677 0.004 1 940 1614 93 SER HA H 4.437 0.004 1 941 1614 93 SER HB2 H 3.976 0.002 1 942 1614 93 SER HB3 H 3.976 0.002 1 943 1614 93 SER C C 174.289 0.050 1 944 1614 93 SER CA C 58.631 0.104 1 945 1614 93 SER CB C 63.916 0.071 1 946 1614 93 SER N N 114.730 0.100 1 947 1615 94 LYS H H 7.998 0.005 1 948 1615 94 LYS HA H 4.419 0.002 1 949 1615 94 LYS HB2 H 1.803 0.050 1 950 1615 94 LYS HB3 H 1.803 0.050 1 951 1615 94 LYS HD2 H 1.754 0.050 1 952 1615 94 LYS HD3 H 1.754 0.050 1 953 1615 94 LYS HG2 H 1.477 0.004 1 954 1615 94 LYS HG3 H 1.477 0.004 1 955 1615 94 LYS C C 175.956 0.050 1 956 1615 94 LYS CA C 56.648 0.055 1 957 1615 94 LYS CB C 32.884 0.034 1 958 1615 94 LYS CD C 28.901 0.050 1 959 1615 94 LYS CG C 24.586 0.050 1 960 1615 94 LYS N N 122.002 0.056 1 961 1616 95 ASN H H 8.498 0.007 1 962 1616 95 ASN HA H 4.716 0.015 1 963 1616 95 ASN HB2 H 2.752 0.011 2 964 1616 95 ASN HB3 H 2.864 0.010 2 965 1616 95 ASN C C 174.341 0.050 1 966 1616 95 ASN CA C 54.387 0.062 1 967 1616 95 ASN CB C 38.458 0.079 1 968 1616 95 ASN N N 118.824 0.053 1 969 1617 96 ALA H H 8.090 0.004 1 970 1617 96 ALA HA H 4.271 0.002 1 971 1617 96 ALA HB H 1.421 0.007 1 972 1617 96 ALA C C 176.720 0.050 1 973 1617 96 ALA CA C 53.199 0.187 1 974 1617 96 ALA CB C 18.125 0.258 1 975 1617 96 ALA N N 120.613 0.066 1 976 1618 97 LEU H H 7.978 0.003 1 977 1618 97 LEU HA H 4.594 0.050 1 978 1618 97 LEU HB2 H 1.505 0.050 2 979 1618 97 LEU HB3 H 1.741 0.050 2 980 1618 97 LEU HD1 H 0.899 0.050 2 981 1618 97 LEU HD2 H 0.933 0.050 2 982 1618 97 LEU C C 176.405 0.050 1 983 1618 97 LEU CA C 54.532 0.017 1 984 1618 97 LEU CB C 43.847 0.058 1 985 1618 97 LEU CD1 C 22.978 0.050 2 986 1618 97 LEU CD2 C 25.535 0.050 2 987 1618 97 LEU N N 118.987 0.179 1 988 1619 98 LYS H H 8.077 0.004 1 989 1619 98 LYS HA H 4.880 0.050 1 990 1619 98 LYS HB2 H 1.939 0.070 2 991 1619 98 LYS HB3 H 1.617 0.070 2 992 1619 98 LYS HD2 H 1.651 0.050 1 993 1619 98 LYS HD3 H 1.651 0.050 1 994 1619 98 LYS HE2 H 2.934 0.050 1 995 1619 98 LYS HE3 H 2.934 0.050 1 996 1619 98 LYS HG2 H 1.236 0.050 1 997 1619 98 LYS HG3 H 1.236 0.050 1 998 1619 98 LYS C C 176.307 0.050 1 999 1619 98 LYS CA C 54.439 0.081 1 1000 1619 98 LYS CB C 35.851 0.048 1 1001 1619 98 LYS CD C 29.271 0.050 1 1002 1619 98 LYS CE C 42.243 0.050 1 1003 1619 98 LYS CG C 25.423 0.050 1 1004 1619 98 LYS N N 120.652 0.057 1 1005 1620 99 TYR H H 8.886 0.006 1 1006 1620 99 TYR HA H 5.099 0.047 1 1007 1620 99 TYR HB2 H 3.110 0.007 2 1008 1620 99 TYR HB3 H 3.142 0.050 2 1009 1620 99 TYR HD1 H 7.276 0.013 3 1010 1620 99 TYR HD2 H 7.276 0.013 3 1011 1620 99 TYR HE1 H 6.847 0.050 3 1012 1620 99 TYR HE2 H 6.847 0.050 3 1013 1620 99 TYR C C 175.459 0.050 1 1014 1620 99 TYR CA C 59.995 0.039 1 1015 1620 99 TYR CB C 41.508 0.036 1 1016 1620 99 TYR CD1 C 133.356 0.002 3 1017 1620 99 TYR CD2 C 133.356 0.002 3 1018 1620 99 TYR CE1 C 117.101 0.002 3 1019 1620 99 TYR CE2 C 117.101 0.002 3 1020 1620 99 TYR N N 118.740 0.071 1 1021 1621 100 LYS H H 8.469 0.007 1 1022 1621 100 LYS HA H 5.304 0.008 1 1023 1621 100 LYS HB2 H 1.965 0.009 1 1024 1621 100 LYS HB3 H 1.965 0.009 1 1025 1621 100 LYS HD2 H 1.599 0.050 2 1026 1621 100 LYS HD3 H 1.688 0.050 2 1027 1621 100 LYS HE2 H 2.947 0.050 2 1028 1621 100 LYS HE3 H 2.984 0.004 2 1029 1621 100 LYS HG2 H 1.309 0.003 2 1030 1621 100 LYS HG3 H 1.593 0.004 2 1031 1621 100 LYS C C 175.047 0.050 1 1032 1621 100 LYS CA C 54.858 0.112 1 1033 1621 100 LYS CB C 36.735 0.067 1 1034 1621 100 LYS CD C 29.518 0.050 1 1035 1621 100 LYS CE C 41.873 0.050 1 1036 1621 100 LYS CG C 23.758 0.050 1 1037 1621 100 LYS N N 116.400 0.085 1 1038 1622 101 SER H H 9.053 0.007 1 1039 1622 101 SER HA H 5.867 0.001 1 1040 1622 101 SER HB2 H 3.769 0.020 2 1041 1622 101 SER HB3 H 3.822 0.050 2 1042 1622 101 SER C C 172.015 0.050 1 1043 1622 101 SER CA C 58.645 0.059 1 1044 1622 101 SER CB C 68.234 0.042 1 1045 1622 101 SER N N 116.094 0.062 1 1046 1623 102 VAL H H 9.278 0.009 1 1047 1623 102 VAL HA H 4.675 0.004 1 1048 1623 102 VAL HB H 1.963 0.050 1 1049 1623 102 VAL HG1 H 0.781 0.002 2 1050 1623 102 VAL HG2 H 0.951 0.012 2 1051 1623 102 VAL C C 175.119 0.050 1 1052 1623 102 VAL CA C 61.387 0.034 1 1053 1623 102 VAL CB C 33.641 0.014 1 1054 1623 102 VAL CG1 C 20.798 0.050 2 1055 1623 102 VAL CG2 C 20.789 0.050 2 1056 1623 102 VAL N N 125.119 0.045 1 1057 1624 103 ILE H H 9.238 0.008 1 1058 1624 103 ILE HA H 4.444 0.050 1 1059 1624 103 ILE HB H 1.555 0.005 1 1060 1624 103 ILE HD1 H 0.258 0.007 1 1061 1624 103 ILE HG12 H 0.485 0.011 2 1062 1624 103 ILE HG13 H 1.219 0.007 2 1063 1624 103 ILE HG2 H 0.199 0.003 1 1064 1624 103 ILE C C 174.241 0.050 1 1065 1624 103 ILE CA C 60.724 0.076 1 1066 1624 103 ILE CB C 39.780 0.035 1 1067 1624 103 ILE CD1 C 14.120 0.062 1 1068 1624 103 ILE CG1 C 27.792 0.066 1 1069 1624 103 ILE CG2 C 17.956 0.194 1 1070 1624 103 ILE N N 128.557 0.046 1 1071 1625 104 SER H H 8.144 0.007 1 1072 1625 104 SER HA H 5.337 0.006 1 1073 1625 104 SER HB2 H 3.650 0.006 2 1074 1625 104 SER HB3 H 3.771 0.010 2 1075 1625 104 SER C C 172.169 0.050 1 1076 1625 104 SER CA C 57.521 0.114 1 1077 1625 104 SER CB C 64.694 0.123 1 1078 1625 104 SER N N 121.254 0.137 1 1079 1626 105 PHE H H 9.577 0.011 1 1080 1626 105 PHE HA H 5.518 0.021 1 1081 1626 105 PHE HB2 H 2.491 0.016 2 1082 1626 105 PHE HB3 H 2.841 0.005 2 1083 1626 105 PHE HD1 H 6.703 0.050 3 1084 1626 105 PHE HD2 H 6.703 0.050 3 1085 1626 105 PHE HE1 H 6.578 0.050 3 1086 1626 105 PHE HE2 H 6.578 0.050 3 1087 1626 105 PHE HZ H 6.802 0.050 1 1088 1626 105 PHE C C 174.175 0.050 1 1089 1626 105 PHE CA C 55.975 0.074 1 1090 1626 105 PHE CB C 39.992 0.059 1 1091 1626 105 PHE CD1 C 131.947 0.059 3 1092 1626 105 PHE CD2 C 131.947 0.059 3 1093 1626 105 PHE CZ C 128.061 0.059 1 1094 1626 105 PHE N N 123.742 0.085 1 1095 1627 106 VAL H H 8.380 0.010 1 1096 1627 106 VAL HA H 4.376 0.005 1 1097 1627 106 VAL HB H 1.135 0.004 1 1098 1627 106 VAL HG1 H 0.863 0.011 2 1099 1627 106 VAL HG2 H 0.605 0.007 2 1100 1627 106 VAL C C 175.068 0.050 1 1101 1627 106 VAL CA C 59.791 0.125 1 1102 1627 106 VAL CB C 35.417 0.047 1 1103 1627 106 VAL CG1 C 21.257 0.017 2 1104 1627 106 VAL CG2 C 19.892 0.012 2 1105 1627 106 VAL N N 121.110 0.067 1 1106 1628 107 CYS H H 9.105 0.008 1 1107 1628 107 CYS HA H 4.486 0.050 1 1108 1628 107 CYS HB2 H 2.747 0.050 2 1109 1628 107 CYS HB3 H 3.133 0.050 2 1110 1628 107 CYS C C 175.150 0.050 1 1111 1628 107 CYS CA C 56.796 0.051 1 1112 1628 107 CYS CB C 39.198 0.018 1 1113 1628 107 CYS N N 124.316 0.062 1 1114 1629 108 THR H H 6.804 0.005 1 1115 1629 108 THR HA H 4.594 0.004 1 1116 1629 108 THR HB H 4.138 0.010 1 1117 1629 108 THR HG2 H 1.079 0.003 1 1118 1629 108 THR C C 171.057 0.050 1 1119 1629 108 THR CA C 60.080 0.115 1 1120 1629 108 THR CB C 70.318 0.051 1 1121 1629 108 THR CG2 C 19.467 0.050 1 1122 1629 108 THR N N 121.145 0.074 1 1123 1630 109 HIS H H 8.714 0.006 1 1124 1630 109 HIS HA H 4.914 0.001 1 1125 1630 109 HIS HB2 H 3.084 0.003 2 1126 1630 109 HIS HB3 H 3.555 0.005 2 1127 1630 109 HIS C C 174.499 0.050 1 1128 1630 109 HIS CA C 55.451 0.041 1 1129 1630 109 HIS CB C 28.966 0.020 1 1130 1630 109 HIS N N 121.079 0.050 1 1131 1631 110 ASP H H 8.401 0.005 1 1132 1631 110 ASP HA H 4.755 0.007 1 1133 1631 110 ASP HB2 H 2.708 0.050 2 1134 1631 110 ASP HB3 H 2.873 0.050 2 1135 1631 110 ASP C C 176.477 0.050 1 1136 1631 110 ASP CA C 54.300 0.023 1 1137 1631 110 ASP CB C 41.477 0.016 1 1138 1631 110 ASP N N 122.244 0.171 1 1139 1632 111 SER H H 8.729 0.006 1 1140 1632 111 SER HA H 4.462 0.001 1 1141 1632 111 SER HB2 H 3.993 0.050 2 1142 1632 111 SER HB3 H 4.068 0.050 2 1143 1632 111 SER C C 175.221 0.050 1 1144 1632 111 SER CA C 59.415 0.032 1 1145 1632 111 SER CB C 63.651 0.039 1 1146 1632 111 SER N N 119.254 0.051 1 1147 1633 112 GLY H H 8.648 0.005 1 1148 1633 112 GLY HA2 H 3.967 0.050 2 1149 1633 112 GLY HA3 H 4.173 0.050 2 1150 1633 112 GLY C C 174.272 0.050 1 1151 1633 112 GLY CA C 45.356 0.029 1 1152 1633 112 GLY N N 110.514 0.053 1 1153 1634 113 ALA H H 7.895 0.002 1 1154 1634 113 ALA HA H 4.531 0.001 1 1155 1634 113 ALA HB H 1.469 0.034 1 1156 1634 113 ALA C C 176.876 0.050 1 1157 1634 113 ALA CA C 52.942 0.022 1 1158 1634 113 ALA CB C 19.350 0.128 1 1159 1634 113 ALA N N 123.174 0.058 1 1160 1635 114 ASN H H 8.375 0.005 1 1161 1635 114 ASN HA H 4.798 0.007 1 1162 1635 114 ASN HB2 H 2.866 0.050 2 1163 1635 114 ASN HB3 H 3.064 0.050 2 1164 1635 114 ASN HD21 H 6.223 0.003 1 1165 1635 114 ASN HD22 H 7.496 0.003 1 1166 1635 114 ASN C C 175.498 0.050 1 1167 1635 114 ASN CA C 53.712 0.004 1 1168 1635 114 ASN CB C 38.831 0.027 1 1169 1635 114 ASN CG C 176.474 0.020 1 1170 1635 114 ASN N N 119.979 0.045 1 1171 1635 114 ASN ND2 N 112.411 0.017 1 1172 1636 115 ASN H H 8.547 0.008 1 1173 1636 115 ASN HA H 5.145 0.008 1 1174 1636 115 ASN HB2 H 3.093 0.009 2 1175 1636 115 ASN HB3 H 3.277 0.010 2 1176 1636 115 ASN HD21 H 7.018 0.028 1 1177 1636 115 ASN HD22 H 7.819 0.003 1 1178 1636 115 ASN C C 173.536 0.050 1 1179 1636 115 ASN CA C 53.150 0.033 1 1180 1636 115 ASN CB C 38.239 0.081 1 1181 1636 115 ASN CG C 177.625 0.017 1 1182 1636 115 ASN N N 120.339 0.080 1 1183 1636 115 ASN ND2 N 111.525 0.035 1 1184 1637 116 LYS H H 7.592 0.003 1 1185 1637 116 LYS HA H 3.945 0.003 1 1186 1637 116 LYS HB2 H 1.510 0.003 2 1187 1637 116 LYS HB3 H 1.796 0.003 2 1188 1637 116 LYS HD2 H 1.788 0.003 1 1189 1637 116 LYS HD3 H 1.788 0.003 1 1190 1637 116 LYS HE2 H 3.134 0.003 1 1191 1637 116 LYS HE3 H 3.134 0.003 1 1192 1637 116 LYS HG2 H 1.352 0.003 1 1193 1637 116 LYS HG3 H 1.352 0.003 1 1194 1637 116 LYS CA C 52.849 0.050 1 1195 1637 116 LYS CB C 33.382 0.050 1 1196 1637 116 LYS CD C 29.553 0.004 1 1197 1637 116 LYS CE C 42.330 0.055 1 1198 1637 116 LYS CG C 23.770 0.004 1 1199 1637 116 LYS N N 118.843 0.029 1 1200 1638 117 PRO HA H 4.233 0.003 1 1201 1638 117 PRO HB2 H 1.356 0.003 2 1202 1638 117 PRO HB3 H 1.655 0.003 2 1203 1638 117 PRO HD2 H 1.180 0.003 2 1204 1638 117 PRO HD3 H 2.966 0.003 2 1205 1638 117 PRO HG2 H 0.991 0.003 2 1206 1638 117 PRO HG3 H 1.517 0.003 2 1207 1638 117 PRO C C 174.780 0.050 1 1208 1638 117 PRO CA C 61.973 0.060 1 1209 1638 117 PRO CB C 31.113 0.044 1 1210 1638 117 PRO CD C 47.685 0.020 1 1211 1638 117 PRO CG C 26.305 0.050 1 1212 1639 118 VAL H H 8.956 0.007 1 1213 1639 118 VAL HA H 4.490 0.004 1 1214 1639 118 VAL HB H 2.187 0.006 1 1215 1639 118 VAL HG1 H 0.962 0.004 1 1216 1639 118 VAL HG2 H 0.962 0.004 1 1217 1639 118 VAL C C 175.870 0.050 1 1218 1639 118 VAL CA C 60.536 0.044 1 1219 1639 118 VAL CB C 35.272 0.024 1 1220 1639 118 VAL CG1 C 20.877 0.050 2 1221 1639 118 VAL CG2 C 21.104 0.050 2 1222 1639 118 VAL N N 116.512 0.045 1 1223 1640 119 PHE H H 8.910 0.007 1 1224 1640 119 PHE HA H 4.482 0.008 1 1225 1640 119 PHE HB2 H 2.949 0.001 2 1226 1640 119 PHE HB3 H 3.122 0.003 2 1227 1640 119 PHE HD1 H 6.755 0.017 3 1228 1640 119 PHE HD2 H 6.755 0.017 3 1229 1640 119 PHE HE1 H 6.910 0.017 3 1230 1640 119 PHE HE2 H 6.910 0.017 3 1231 1640 119 PHE C C 174.028 0.050 1 1232 1640 119 PHE CA C 57.945 0.030 1 1233 1640 119 PHE CB C 39.668 0.055 1 1234 1640 119 PHE CD1 C 130.924 0.055 3 1235 1640 119 PHE CD2 C 130.924 0.055 3 1236 1640 119 PHE N N 125.642 0.046 1 1237 1641 120 VAL H H 8.489 0.007 1 1238 1641 120 VAL HA H 3.754 0.005 1 1239 1641 120 VAL HB H 1.526 0.006 1 1240 1641 120 VAL HG1 H 0.804 0.050 2 1241 1641 120 VAL HG2 H 0.718 0.050 2 1242 1641 120 VAL C C 175.541 0.050 1 1243 1641 120 VAL CA C 64.356 0.016 1 1244 1641 120 VAL CB C 32.713 0.108 1 1245 1641 120 VAL CG1 C 21.549 0.050 2 1246 1641 120 VAL CG2 C 20.606 0.050 2 1247 1641 120 VAL N N 129.678 0.045 1 1248 1642 121 SER H H 6.702 0.005 1 1249 1642 121 SER HA H 4.028 0.007 1 1250 1642 121 SER HB2 H 3.684 0.005 1 1251 1642 121 SER HB3 H 3.684 0.005 1 1252 1642 121 SER C C 170.503 0.050 1 1253 1642 121 SER CA C 58.161 0.120 1 1254 1642 121 SER CB C 64.326 0.025 1 1255 1642 121 SER N N 108.972 0.071 1 1256 1643 122 LEU H H 8.340 0.007 1 1257 1643 122 LEU HA H 5.224 0.009 1 1258 1643 122 LEU HB2 H 1.658 0.015 2 1259 1643 122 LEU HB3 H 2.025 0.005 2 1260 1643 122 LEU HD1 H 0.966 0.014 2 1261 1643 122 LEU HD2 H 0.906 0.014 2 1262 1643 122 LEU HG H 1.521 0.001 1 1263 1643 122 LEU C C 175.304 0.050 1 1264 1643 122 LEU CA C 54.194 0.027 1 1265 1643 122 LEU CB C 44.522 0.058 1 1266 1643 122 LEU CD1 C 25.348 0.050 2 1267 1643 122 LEU CD2 C 24.494 0.050 2 1268 1643 122 LEU CG C 28.577 0.036 1 1269 1643 122 LEU N N 122.445 0.038 1 1270 1644 123 ASP H H 9.459 0.007 1 1271 1644 123 ASP HA H 4.976 0.002 1 1272 1644 123 ASP HB2 H 2.869 0.050 2 1273 1644 123 ASP HB3 H 3.228 0.050 2 1274 1644 123 ASP C C 176.986 0.050 1 1275 1644 123 ASP CA C 52.921 0.006 1 1276 1644 123 ASP CB C 41.731 0.011 1 1277 1644 123 ASP N N 126.904 0.067 1 1278 1645 124 LYS H H 9.036 0.005 1 1279 1645 124 LYS HA H 3.964 0.005 1 1280 1645 124 LYS HB2 H 1.944 0.009 1 1281 1645 124 LYS HB3 H 1.944 0.009 1 1282 1645 124 LYS HD2 H 1.794 0.050 1 1283 1645 124 LYS HD3 H 1.794 0.050 1 1284 1645 124 LYS HE2 H 3.135 0.009 1 1285 1645 124 LYS HE3 H 3.135 0.009 1 1286 1645 124 LYS HG2 H 1.541 0.002 2 1287 1645 124 LYS HG3 H 1.708 0.002 2 1288 1645 124 LYS C C 178.007 0.050 1 1289 1645 124 LYS CA C 59.350 0.043 1 1290 1645 124 LYS CB C 32.735 0.043 1 1291 1645 124 LYS CD C 29.551 0.050 1 1292 1645 124 LYS CE C 42.243 0.050 1 1293 1645 124 LYS CG C 26.152 0.050 1 1294 1645 124 LYS N N 126.592 0.026 1 1295 1646 125 GLN H H 8.539 0.004 1 1296 1646 125 GLN HA H 4.231 0.002 1 1297 1646 125 GLN HB2 H 2.248 0.050 2 1298 1646 125 GLN HB3 H 2.387 0.050 2 1299 1646 125 GLN HG2 H 2.470 0.050 2 1300 1646 125 GLN HG3 H 2.521 0.050 2 1301 1646 125 GLN C C 177.348 0.050 1 1302 1646 125 GLN CA C 58.246 0.033 1 1303 1646 125 GLN CB C 28.786 0.089 1 1304 1646 125 GLN CG C 34.405 0.016 1 1305 1646 125 GLN N N 116.274 0.059 1 1306 1647 126 THR H H 7.188 0.004 1 1307 1647 126 THR HA H 4.386 0.006 1 1308 1647 126 THR HB H 4.499 0.002 1 1309 1647 126 THR HG2 H 1.182 0.005 1 1310 1647 126 THR C C 173.893 0.050 1 1311 1647 126 THR CA C 60.460 0.062 1 1312 1647 126 THR CB C 70.410 0.070 1 1313 1647 126 THR CG2 C 20.892 0.050 1 1314 1647 126 THR N N 104.122 0.042 1 1315 1648 127 CYS H H 8.022 0.006 1 1316 1648 127 CYS HA H 3.651 0.009 1 1317 1648 127 CYS HB2 H 2.707 0.050 2 1318 1648 127 CYS HB3 H 3.125 0.003 2 1319 1648 127 CYS C C 171.653 0.050 1 1320 1648 127 CYS CA C 58.408 0.134 1 1321 1648 127 CYS CB C 40.398 0.022 1 1322 1648 127 CYS N N 116.813 0.058 1 1323 1649 128 THR H H 7.455 0.006 1 1324 1649 128 THR HA H 5.314 0.005 1 1325 1649 128 THR HB H 3.686 0.005 1 1326 1649 128 THR HG2 H 0.517 0.005 1 1327 1649 128 THR C C 172.753 0.050 1 1328 1649 128 THR CA C 61.718 0.079 1 1329 1649 128 THR CB C 70.485 0.067 1 1330 1649 128 THR CG2 C 21.216 0.050 1 1331 1649 128 THR N N 110.554 0.043 1 1332 1650 129 LEU H H 9.410 0.009 1 1333 1650 129 LEU HA H 4.873 0.008 1 1334 1650 129 LEU HB2 H 1.535 0.011 2 1335 1650 129 LEU HB3 H 2.329 0.002 2 1336 1650 129 LEU HD1 H 0.666 0.007 2 1337 1650 129 LEU HD2 H 1.082 0.005 2 1338 1650 129 LEU HG H 1.683 0.009 1 1339 1650 129 LEU C C 174.142 0.050 1 1340 1650 129 LEU CA C 56.724 0.008 1 1341 1650 129 LEU CB C 43.710 0.055 1 1342 1650 129 LEU CD1 C 25.788 0.005 2 1343 1650 129 LEU CD2 C 25.654 0.040 2 1344 1650 129 LEU CG C 32.382 0.050 1 1345 1650 129 LEU N N 129.815 0.051 1 1346 1651 130 TYR H H 8.668 0.008 1 1347 1651 130 TYR HA H 5.157 0.001 1 1348 1651 130 TYR HB2 H 2.577 0.012 2 1349 1651 130 TYR HB3 H 2.785 0.007 2 1350 1651 130 TYR HD1 H 7.079 0.007 3 1351 1651 130 TYR HD2 H 7.079 0.007 3 1352 1651 130 TYR HE1 H 6.652 0.013 3 1353 1651 130 TYR HE2 H 6.652 0.013 3 1354 1651 130 TYR C C 174.811 0.050 1 1355 1651 130 TYR CA C 57.671 0.100 1 1356 1651 130 TYR CB C 40.152 0.031 1 1357 1651 130 TYR CD1 C 133.071 0.029 3 1358 1651 130 TYR CD2 C 133.071 0.029 3 1359 1651 130 TYR CE1 C 116.992 0.050 3 1360 1651 130 TYR CE2 C 116.992 0.050 3 1361 1651 130 TYR N N 118.151 0.089 1 1362 1652 131 PHE H H 9.168 0.008 1 1363 1652 131 PHE HA H 5.495 0.008 1 1364 1652 131 PHE HB2 H 2.811 0.050 2 1365 1652 131 PHE HB3 H 2.890 0.050 2 1366 1652 131 PHE HD1 H 7.096 0.050 3 1367 1652 131 PHE HD2 H 7.096 0.050 3 1368 1652 131 PHE C C 175.435 0.050 1 1369 1652 131 PHE CA C 56.072 0.084 1 1370 1652 131 PHE CB C 43.553 0.052 1 1371 1652 131 PHE CD1 C 132.600 0.052 3 1372 1652 131 PHE CD2 C 132.600 0.052 3 1373 1652 131 PHE N N 118.515 0.056 1 1374 1653 132 SER H H 9.235 0.009 1 1375 1653 132 SER HA H 5.508 0.006 1 1376 1653 132 SER HB2 H 3.544 0.050 2 1377 1653 132 SER HB3 H 3.631 0.050 2 1378 1653 132 SER C C 173.072 0.050 1 1379 1653 132 SER CA C 56.557 0.121 1 1380 1653 132 SER CB C 66.119 0.042 1 1381 1653 132 SER N N 117.298 0.029 1 1382 1654 133 TRP H H 9.023 0.008 1 1383 1654 133 TRP HA H 4.933 0.005 1 1384 1654 133 TRP HB2 H 2.401 0.012 2 1385 1654 133 TRP HB3 H 3.164 0.007 2 1386 1654 133 TRP HD1 H 6.974 0.006 1 1387 1654 133 TRP HE1 H 9.695 0.007 1 1388 1654 133 TRP HH2 H 6.062 0.007 1 1389 1654 133 TRP HZ2 H 7.159 0.008 1 1390 1654 133 TRP C C 175.526 0.050 1 1391 1654 133 TRP CA C 55.757 0.030 1 1392 1654 133 TRP CB C 31.642 0.040 1 1393 1654 133 TRP CD1 C 122.771 0.040 1 1394 1654 133 TRP CZ2 C 114.421 0.040 1 1395 1654 133 TRP N N 127.919 0.069 1 1396 1654 133 TRP NE1 N 127.188 0.034 1 1397 1655 134 HIS H H 9.585 0.010 1 1398 1655 134 HIS HA H 5.545 0.003 1 1399 1655 134 HIS HB2 H 2.924 0.002 2 1400 1655 134 HIS HB3 H 3.351 0.007 2 1401 1655 134 HIS C C 173.422 0.050 1 1402 1655 134 HIS CA C 55.670 0.035 1 1403 1655 134 HIS CB C 28.772 0.025 1 1404 1655 134 HIS N N 127.884 0.076 1 1405 1656 135 THR H H 9.220 0.008 1 1406 1656 135 THR HA H 5.421 0.008 1 1407 1656 135 THR HB H 4.298 0.005 1 1408 1656 135 THR HG2 H 1.073 0.004 1 1409 1656 135 THR CA C 56.346 0.050 1 1410 1656 135 THR CB C 69.430 0.050 1 1411 1656 135 THR CG2 C 19.688 0.043 1 1412 1656 135 THR N N 121.136 0.051 1 1413 1657 136 PRO HA H 5.181 0.011 1 1414 1657 136 PRO HB2 H 2.057 0.001 2 1415 1657 136 PRO HB3 H 2.615 0.001 2 1416 1657 136 PRO HD2 H 3.765 0.008 2 1417 1657 136 PRO HD3 H 4.126 0.011 2 1418 1657 136 PRO HG2 H 2.071 0.009 2 1419 1657 136 PRO HG3 H 2.169 0.011 2 1420 1657 136 PRO C C 179.389 0.050 1 1421 1657 136 PRO CA C 64.561 0.035 1 1422 1657 136 PRO CB C 32.283 0.006 1 1423 1657 136 PRO CD C 52.388 0.014 1 1424 1657 136 PRO CG C 27.567 0.034 1 1425 1658 137 LEU H H 8.472 0.006 1 1426 1658 137 LEU HA H 4.234 0.050 1 1427 1658 137 LEU HB2 H 1.426 0.003 2 1428 1658 137 LEU HB3 H 1.510 0.001 2 1429 1658 137 LEU HD1 H 0.977 0.015 2 1430 1658 137 LEU HD2 H 0.780 0.004 2 1431 1658 137 LEU HG H 0.963 0.050 1 1432 1658 137 LEU C C 177.076 0.050 1 1433 1658 137 LEU CA C 56.608 0.030 1 1434 1658 137 LEU CB C 41.864 0.054 1 1435 1658 137 LEU CD1 C 22.095 0.050 2 1436 1658 137 LEU CD2 C 25.724 0.021 2 1437 1658 137 LEU N N 118.975 0.309 1 1438 1659 138 ALA H H 7.403 0.006 1 1439 1659 138 ALA HA H 4.572 0.050 1 1440 1659 138 ALA HB H 1.206 0.005 1 1441 1659 138 ALA C C 175.197 0.050 1 1442 1659 138 ALA CA C 51.300 0.074 1 1443 1659 138 ALA CB C 18.969 0.015 1 1444 1659 138 ALA N N 117.100 0.062 1 1445 1660 139 CYS H H 7.613 0.005 1 1446 1660 139 CYS HA H 4.891 0.005 1 1447 1660 139 CYS HB2 H 3.078 0.006 2 1448 1660 139 CYS HB3 H 3.343 0.003 2 1449 1660 139 CYS C C 173.938 0.050 1 1450 1660 139 CYS CA C 54.439 0.025 1 1451 1660 139 CYS CB C 42.615 0.020 1 1452 1660 139 CYS N N 116.796 0.254 1 1453 1661 140 GLU H H 8.995 0.007 1 1454 1661 140 GLU HA H 3.755 0.005 1 1455 1661 140 GLU HB2 H 1.696 0.050 2 1456 1661 140 GLU HB3 H 1.751 0.050 2 1457 1661 140 GLU HG2 H 1.867 0.050 2 1458 1661 140 GLU HG3 H 2.005 0.050 2 1459 1661 140 GLU C C 174.901 0.050 1 1460 1661 140 GLU CA C 56.222 0.038 1 1461 1661 140 GLU CB C 31.004 0.094 1 1462 1661 140 GLU CG C 35.989 0.050 1 1463 1661 140 GLU N N 122.921 0.050 1 1464 1662 141 LYS H H 8.121 0.005 1 1465 1662 141 LYS HA H 4.364 0.050 1 1466 1662 141 LYS HB2 H 1.816 0.050 1 1467 1662 141 LYS HB3 H 1.816 0.050 1 1468 1662 141 LYS HD2 H 1.734 0.050 1 1469 1662 141 LYS HD3 H 1.734 0.050 1 1470 1662 141 LYS HE2 H 3.045 0.050 1 1471 1662 141 LYS HE3 H 3.045 0.050 1 1472 1662 141 LYS HG2 H 1.437 0.050 1 1473 1662 141 LYS HG3 H 1.437 0.050 1 1474 1662 141 LYS C C 175.986 0.050 1 1475 1662 141 LYS CA C 56.185 0.027 1 1476 1662 141 LYS CB C 33.648 0.027 1 1477 1662 141 LYS CD C 29.238 0.050 1 1478 1662 141 LYS CE C 42.214 0.050 1 1479 1662 141 LYS CG C 24.646 0.050 1 1480 1662 141 LYS N N 121.714 0.070 1 1481 1663 142 GLU H H 8.580 0.004 1 1482 1663 142 GLU HA H 4.358 0.006 1 1483 1663 142 GLU HB2 H 1.953 0.001 2 1484 1663 142 GLU HB3 H 2.032 0.005 2 1485 1663 142 GLU HG2 H 2.311 0.005 1 1486 1663 142 GLU HG3 H 2.311 0.005 1 1487 1663 142 GLU C C 175.989 0.050 1 1488 1663 142 GLU CA C 56.079 0.116 1 1489 1663 142 GLU CB C 30.549 0.087 1 1490 1663 142 GLU CG C 36.128 0.050 1 1491 1663 142 GLU N N 123.334 0.030 1 1492 1664 143 GLU H H 8.608 0.004 1 1493 1664 143 GLU HA H 4.629 0.009 1 1494 1664 143 GLU HB2 H 1.871 0.003 2 1495 1664 143 GLU HB3 H 2.034 0.003 2 1496 1664 143 GLU HG2 H 2.305 0.002 1 1497 1664 143 GLU HG3 H 2.305 0.002 1 1498 1664 143 GLU CA C 54.196 0.050 1 1499 1664 143 GLU CB C 30.126 0.106 1 1500 1664 143 GLU CG C 35.773 0.050 1 1501 1664 143 GLU N N 124.783 0.071 1 1502 1665 144 PRO HA H 4.404 0.002 1 1503 1665 144 PRO HB2 H 1.839 0.004 2 1504 1665 144 PRO HB3 H 2.312 0.007 2 1505 1665 144 PRO HD2 H 3.727 0.006 2 1506 1665 144 PRO HD3 H 3.847 0.007 2 1507 1665 144 PRO HG2 H 2.048 0.009 1 1508 1665 144 PRO HG3 H 2.048 0.009 1 1509 1665 144 PRO C C 176.957 0.050 1 1510 1665 144 PRO CA C 63.654 0.113 1 1511 1665 144 PRO CB C 32.108 0.033 1 1512 1665 144 PRO CD C 50.609 0.028 1 1513 1665 144 PRO CG C 27.519 0.050 1 1514 1666 145 ARG H H 8.461 0.005 1 1515 1666 145 ARG HA H 4.240 0.002 1 1516 1666 145 ARG HB2 H 1.759 0.008 1 1517 1666 145 ARG HB3 H 1.759 0.008 1 1518 1666 145 ARG HD2 H 3.206 0.003 1 1519 1666 145 ARG HD3 H 3.206 0.003 1 1520 1666 145 ARG HE H 7.261 0.050 1 1521 1666 145 ARG HG2 H 1.606 0.004 1 1522 1666 145 ARG HG3 H 1.606 0.004 1 1523 1666 145 ARG C C 176.289 0.050 1 1524 1666 145 ARG CA C 56.373 0.028 1 1525 1666 145 ARG CB C 30.502 0.057 1 1526 1666 145 ARG CD C 43.258 0.050 1 1527 1666 145 ARG CG C 27.197 0.050 1 1528 1666 145 ARG N N 120.207 0.122 1 1529 1666 145 ARG NE N 84.578 0.296 1 1530 1667 146 HIS H H 8.378 0.005 1 1531 1667 146 HIS HB2 H 3.238 0.050 1 1532 1667 146 HIS HB3 H 3.238 0.050 1 1533 1667 146 HIS C C 173.648 0.050 1 1534 1667 146 HIS CA C 55.620 0.225 1 1535 1667 146 HIS CB C 29.758 0.024 1 1536 1667 146 HIS N N 118.881 0.029 1 1537 1668 147 HIS H H 8.351 0.004 1 1538 1668 147 HIS C C 175.078 0.050 1 1539 1668 147 HIS CA C 57.047 0.159 1 1540 1668 147 HIS CB C 30.065 0.184 1 1541 1668 147 HIS N N 125.423 0.047 1 stop_ save_