data_17128 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; unbound Cation-independent mannose-6-phosphate receptor domain 11 E4 mutant ; _BMRB_accession_number 17128 _BMRB_flat_file_name bmr17128.str _Entry_type original _Submission_date 2010-08-13 _Accession_date 2010-08-13 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'triple mutant of domain 11 from human Cation-independent mannose-6-phosphate receptor' 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 . . 11 Jones E Yvonne . 12 Crump Matthew P. . 13 Hassan A Bassim . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 790 "13C chemical shifts" 593 "15N chemical shifts" 145 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' 'mannose 6 phosphate receptor' 'NMR structure' 'protein evolution' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Domain 11 mutant' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Domain 11 mutant' $domain_11 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_domain_11 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common domain_11 _Molecular_mass 15434.610 _Mol_thiol_state 'all disulfide bound' loop_ _Biological_function 'Fragment of the Cation-independent mannose-6-phosphate receptor that binds IGF-II' 'Mutated residues in the AB loop region to improve binding affinity' stop_ _Details 'Disulfide linkages: Cys1516-Cys1553, Cys1559-Cys1566, Cys1598-Cys1634, Cys1614-Cys1646' ############################## # Polymer residue sequence # ############################## _Residue_count 142 _Mol_residue_sequence ; MKSNEHDDCQVTNPSTGHLF DLSSLSGRAGFTAAYSKSGV VYMSICGENENCPPGVGACF GQTRISVGKANKRLRYVDQV LQLVYKDGSPCPSKSGLSYK SVISFVCRPEAGPTNRPMLI SLDKQTCTLFFSWHTPLACE PE ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1508 MET 2 1509 LYS 3 1510 SER 4 1511 ASN 5 1512 GLU 6 1513 HIS 7 1514 ASP 8 1515 ASP 9 1516 CYS 10 1517 GLN 11 1518 VAL 12 1519 THR 13 1520 ASN 14 1521 PRO 15 1522 SER 16 1523 THR 17 1524 GLY 18 1525 HIS 19 1526 LEU 20 1527 PHE 21 1528 ASP 22 1529 LEU 23 1530 SER 24 1531 SER 25 1532 LEU 26 1533 SER 27 1534 GLY 28 1535 ARG 29 1536 ALA 30 1537 GLY 31 1538 PHE 32 1539 THR 33 1540 ALA 34 1541 ALA 35 1542 TYR 36 1543 SER 37 1544 LYS 38 1545 SER 39 1546 GLY 40 1547 VAL 41 1548 VAL 42 1549 TYR 43 1550 MET 44 1551 SER 45 1552 ILE 46 1553 CYS 47 1554 GLY 48 1555 GLU 49 1556 ASN 50 1557 GLU 51 1558 ASN 52 1559 CYS 53 1560 PRO 54 1561 PRO 55 1562 GLY 56 1563 VAL 57 1564 GLY 58 1565 ALA 59 1566 CYS 60 1567 PHE 61 1568 GLY 62 1569 GLN 63 1570 THR 64 1571 ARG 65 1572 ILE 66 1573 SER 67 1574 VAL 68 1575 GLY 69 1576 LYS 70 1577 ALA 71 1578 ASN 72 1579 LYS 73 1580 ARG 74 1581 LEU 75 1582 ARG 76 1583 TYR 77 1584 VAL 78 1585 ASP 79 1586 GLN 80 1587 VAL 81 1588 LEU 82 1589 GLN 83 1590 LEU 84 1591 VAL 85 1592 TYR 86 1593 LYS 87 1594 ASP 88 1595 GLY 89 1596 SER 90 1597 PRO 91 1598 CYS 92 1599 PRO 93 1600 SER 94 1601 LYS 95 1602 SER 96 1603 GLY 97 1604 LEU 98 1605 SER 99 1606 TYR 100 1607 LYS 101 1608 SER 102 1609 VAL 103 1610 ILE 104 1611 SER 105 1612 PHE 106 1613 VAL 107 1614 CYS 108 1615 ARG 109 1616 PRO 110 1617 GLU 111 1618 ALA 112 1619 GLY 113 1620 PRO 114 1621 THR 115 1622 ASN 116 1623 ARG 117 1624 PRO 118 1625 MET 119 1626 LEU 120 1627 ILE 121 1628 SER 122 1629 LEU 123 1630 ASP 124 1631 LYS 125 1632 GLN 126 1633 THR 127 1634 CYS 128 1635 THR 129 1636 LEU 130 1637 PHE 131 1638 PHE 132 1639 SER 133 1640 TRP 134 1641 HIS 135 1642 THR 136 1643 PRO 137 1644 LEU 138 1645 ALA 139 1646 CYS 140 1647 GLU 141 1648 PRO 142 1649 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-02-05 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 17127 HD11 100.00 142 100.00 100.00 1.21e-100 BMRB 19117 Domain_11 98.59 142 97.14 97.86 1.65e-95 BMRB 19153 IGF2R 98.59 142 97.14 97.86 1.65e-95 PDB 1E6F "Human Mir-Receptor, Repeat 11" 98.59 143 97.86 99.29 1.62e-97 PDB 1GP0 "Human Igf2r Domain 11" 98.59 143 97.86 99.29 1.62e-97 PDB 1GP3 "Human Igf2r Domain 11" 98.59 143 97.86 99.29 1.62e-97 PDB 1GQB "Human Mir-Receptor, Repeat 11" 98.59 143 97.86 99.29 1.62e-97 PDB 2CNJ "Nmr Studies On The Interaction Of Insulin-Growth Factor Ii ( Igf-Ii) With Igf2r Domain 11" 98.59 151 97.86 99.29 1.70e-97 PDB 2L29 "Complex Structure Of E4 Mutant Human Igf2r Domain 11 Bound To Igf-Ii" 100.00 142 100.00 100.00 1.21e-100 PDB 2L2A "Mutated Domain 11 Of The Cytoplasmic Region Of The Cation-Independent Mannose-6-Phosphate Receptor" 100.00 142 100.00 100.00 1.21e-100 PDB 2M68 "Nmr Solution Structure Ensemble Of 3-4d Mutant Domain 11 Igf2r In Complex With Igf2 (domain 11 Structure Only)" 98.59 142 97.14 97.86 1.65e-95 PDB 2M6T "Nmr Solution Structure Ensemble Of 3-4d Mutant Domain 11 Igf2r" 98.59 142 97.14 97.86 1.65e-95 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 $domain_11 Human 9606 Eukaryota Metazoa Homo sapiens igf2r 'mutated human Domain 11' 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 $domain_11 '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' 10 mM . . '[U-99% 2H]' $domain_11 . mM 0.5 1 '[U-98% 13C; U-98% 15N]' EDTA 100 uM . . 'natural abundance' 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_Analysis _Saveframe_category software _Name Analysis _Version 2.13 loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' stop_ _Details . save_ save_CNS _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 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_TALOS _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'geometry optimization' 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_ARIA _Saveframe_category software _Name ARIA _Version 2.2 loop_ _Vendor _Address _Electronic_address 'Linge, O'Donoghue and Nilges' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model VNMRS _Field_strength 600 _Details 'cryoprobe 600MHz' 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_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _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 4.2 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 4.658 internal indirect . . . 0.251449530 water H 1 protons ppm 4.658 internal direct . . . 1.00 water N 15 protons ppm 4.658 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 '3D CBCA(CO)NH' '3D C(CO)NH' '3D HNCO' '3D HNCA' '3D HNCACB' '3D HN(CO)CA' '3D HCCH-TOCSY' '3D H(CCO)NH' 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 'Domain 11 mutant' _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 2 2 LYS HA H 4.506 0.024 1 2 2 2 LYS HB2 H 1.878 0.015 1 3 2 2 LYS HB3 H 1.878 0.015 1 4 2 2 LYS HD2 H 1.719 0.000 1 5 2 2 LYS HD3 H 1.719 0.000 1 6 2 2 LYS HE2 H 3.074 0.000 1 7 2 2 LYS HE3 H 3.074 0.000 1 8 2 2 LYS HG2 H 1.495 0.000 1 9 2 2 LYS HG3 H 1.495 0.000 1 10 2 2 LYS C C 176.967 0.000 1 11 2 2 LYS CA C 56.616 0.044 1 12 2 2 LYS CB C 33.516 0.140 1 13 2 2 LYS CD C 29.426 0.178 1 14 2 2 LYS CE C 42.222 0.000 1 15 2 2 LYS CG C 24.969 0.164 1 16 3 3 SER H H 8.613 0.012 1 17 3 3 SER HA H 4.756 0.049 1 18 3 3 SER HB2 H 3.965 0.033 2 19 3 3 SER HB3 H 4.015 0.005 2 20 3 3 SER C C 174.897 0.000 1 21 3 3 SER CA C 58.202 0.072 1 22 3 3 SER CB C 64.553 0.071 1 23 3 3 SER N N 117.779 0.213 1 24 4 4 ASN H H 8.760 0.005 1 25 4 4 ASN HA H 4.963 0.004 1 26 4 4 ASN HB2 H 2.907 0.009 2 27 4 4 ASN HB3 H 2.915 0.005 2 28 4 4 ASN HD21 H 6.984 0.002 1 29 4 4 ASN HD22 H 7.724 0.026 1 30 4 4 ASN C C 175.442 0.000 1 31 4 4 ASN CA C 52.933 0.025 1 32 4 4 ASN CB C 39.755 0.000 1 33 4 4 ASN N N 120.016 0.084 1 34 4 4 ASN ND2 N 112.738 0.014 1 35 5 5 GLU H H 8.326 0.008 1 36 5 5 GLU HA H 4.722 0.000 1 37 5 5 GLU HB2 H 1.930 0.020 2 38 5 5 GLU HB3 H 2.000 0.023 2 39 5 5 GLU HG2 H 2.173 0.000 2 40 5 5 GLU HG3 H 2.174 0.001 2 41 5 5 GLU C C 176.452 0.000 1 42 5 5 GLU CA C 56.442 0.012 1 43 5 5 GLU CB C 31.366 0.070 1 44 5 5 GLU CG C 36.558 0.072 1 45 5 5 GLU N N 120.959 0.085 1 46 6 6 HIS H H 8.721 0.010 1 47 6 6 HIS HA H 4.739 0.000 1 48 6 6 HIS HB2 H 3.294 0.025 2 49 6 6 HIS HB3 H 3.712 0.000 2 50 6 6 HIS C C 173.801 0.000 1 51 6 6 HIS CA C 55.544 0.011 1 52 6 6 HIS CB C 29.923 0.034 1 53 6 6 HIS N N 120.301 0.084 1 54 7 7 ASP H H 8.339 0.011 1 55 7 7 ASP HA H 4.743 0.000 1 56 7 7 ASP HB2 H 2.568 0.031 2 57 7 7 ASP HB3 H 2.769 0.029 2 58 7 7 ASP C C 176.926 0.000 1 59 7 7 ASP CA C 56.559 0.000 1 60 7 7 ASP CB C 42.083 0.000 1 61 7 7 ASP N N 121.760 0.229 1 62 8 8 ASP H H 8.613 0.012 1 63 8 8 ASP HA H 4.572 0.019 1 64 8 8 ASP HB2 H 2.518 0.000 2 65 8 8 ASP HB3 H 2.808 0.012 2 66 8 8 ASP C C 176.119 0.000 1 67 8 8 ASP CA C 55.036 0.085 1 68 8 8 ASP CB C 40.505 0.004 1 69 8 8 ASP N N 117.879 0.096 1 70 9 9 CYS H H 9.790 0.010 1 71 9 9 CYS HA H 4.053 0.010 1 72 9 9 CYS HB2 H 2.762 0.016 2 73 9 9 CYS HB3 H 3.672 0.000 2 74 9 9 CYS C C 172.735 0.000 1 75 9 9 CYS CA C 58.449 0.030 1 76 9 9 CYS CB C 41.842 0.000 1 77 9 9 CYS N N 122.970 0.114 1 78 10 10 GLN H H 7.782 0.010 1 79 10 10 GLN HA H 5.448 0.020 1 80 10 10 GLN HB2 H 1.932 0.023 2 81 10 10 GLN HB3 H 1.909 0.000 2 82 10 10 GLN HE21 H 6.718 0.002 1 83 10 10 GLN HE22 H 7.243 0.001 1 84 10 10 GLN HG2 H 2.134 0.011 2 85 10 10 GLN HG3 H 2.342 0.035 2 86 10 10 GLN C C 174.635 0.000 1 87 10 10 GLN CA C 54.153 0.052 1 88 10 10 GLN CB C 33.470 0.000 1 89 10 10 GLN CG C 33.833 0.000 1 90 10 10 GLN N N 113.327 0.172 1 91 10 10 GLN NE2 N 109.747 0.017 1 92 11 11 VAL H H 8.755 0.008 1 93 11 11 VAL HA H 4.486 0.011 1 94 11 11 VAL HB H 2.273 0.025 1 95 11 11 VAL HG1 H 0.733 0.025 2 96 11 11 VAL HG2 H 1.313 0.022 2 97 11 11 VAL C C 172.790 0.000 1 98 11 11 VAL CA C 61.412 0.070 1 99 11 11 VAL CB C 34.094 0.050 1 100 11 11 VAL CG1 C 20.536 0.058 2 101 11 11 VAL CG2 C 22.937 0.045 2 102 11 11 VAL N N 118.078 0.099 1 103 12 12 THR H H 7.905 0.011 1 104 12 12 THR HA H 5.557 0.025 1 105 12 12 THR HB H 3.693 0.027 1 106 12 12 THR HG2 H 0.904 0.030 1 107 12 12 THR C C 176.183 0.000 1 108 12 12 THR CA C 59.964 0.153 1 109 12 12 THR CB C 71.114 0.198 1 110 12 12 THR CG2 C 22.131 0.033 1 111 12 12 THR N N 118.595 0.117 1 112 13 13 ASN H H 8.225 0.008 1 113 13 13 ASN HA H 4.150 0.027 1 114 13 13 ASN HB2 H 2.476 0.024 2 115 13 13 ASN HB3 H 3.248 0.022 2 116 13 13 ASN HD21 H 7.272 0.005 1 117 13 13 ASN HD22 H 9.677 0.002 1 118 13 13 ASN CA C 50.136 0.177 1 119 13 13 ASN CB C 39.105 0.017 1 120 13 13 ASN N N 120.595 0.113 1 121 13 13 ASN ND2 N 119.027 0.026 1 122 14 14 PRO HA H 4.362 0.002 1 123 14 14 PRO HB2 H 2.401 0.004 2 124 14 14 PRO HB3 H 2.380 0.021 2 125 14 14 PRO HD2 H 3.823 0.008 2 126 14 14 PRO HD3 H 3.825 0.009 2 127 14 14 PRO HG2 H 2.143 0.007 2 128 14 14 PRO HG3 H 2.141 0.005 2 129 14 14 PRO C C 179.050 0.000 1 130 14 14 PRO CA C 64.247 0.076 1 131 14 14 PRO CB C 32.348 0.000 1 132 14 14 PRO CD C 50.889 0.067 1 133 14 14 PRO CG C 27.151 0.000 1 134 15 15 SER H H 8.123 0.006 1 135 15 15 SER HA H 4.503 0.000 1 136 15 15 SER HB2 H 4.008 0.006 2 137 15 15 SER HB3 H 4.012 0.001 2 138 15 15 SER C C 176.017 0.000 1 139 15 15 SER CA C 60.775 0.057 1 140 15 15 SER CB C 63.614 0.000 1 141 15 15 SER N N 111.944 0.081 1 142 16 16 THR H H 6.809 0.006 1 143 16 16 THR HA H 4.367 0.000 1 144 16 16 THR HB H 4.493 0.085 1 145 16 16 THR HG2 H 1.166 0.013 1 146 16 16 THR C C 177.218 0.000 1 147 16 16 THR CA C 61.285 0.044 1 148 16 16 THR CB C 71.366 0.040 1 149 16 16 THR CG2 C 21.292 0.000 1 150 16 16 THR N N 106.955 0.089 1 151 17 17 GLY H H 8.706 0.009 1 152 17 17 GLY HA2 H 3.578 0.011 2 153 17 17 GLY HA3 H 4.235 0.011 2 154 17 17 GLY C C 174.473 0.000 1 155 17 17 GLY CA C 45.295 0.000 1 156 17 17 GLY N N 111.454 0.092 1 157 18 18 HIS H H 7.907 0.007 1 158 18 18 HIS HA H 4.041 0.005 1 159 18 18 HIS HB2 H 2.555 0.053 2 160 18 18 HIS HB3 H 2.984 0.004 2 161 18 18 HIS C C 173.505 0.000 1 162 18 18 HIS CA C 56.900 0.042 1 163 18 18 HIS CB C 29.377 0.000 1 164 18 18 HIS N N 119.126 0.180 1 165 19 19 LEU H H 7.859 0.009 1 166 19 19 LEU HA H 4.213 0.021 1 167 19 19 LEU HB2 H 1.149 0.006 2 168 19 19 LEU HB3 H 1.493 0.007 2 169 19 19 LEU HD1 H 0.672 0.035 2 170 19 19 LEU HD2 H 0.732 0.020 2 171 19 19 LEU HG H 1.064 0.004 1 172 19 19 LEU C C 175.680 0.000 1 173 19 19 LEU CA C 54.421 0.058 1 174 19 19 LEU CB C 43.415 0.089 1 175 19 19 LEU CD1 C 25.615 0.049 2 176 19 19 LEU CD2 C 24.095 0.058 2 177 19 19 LEU CG C 27.307 0.003 1 178 19 19 LEU N N 128.814 0.088 1 179 20 20 PHE H H 9.267 0.009 1 180 20 20 PHE HA H 4.750 0.011 1 181 20 20 PHE HB2 H 2.722 0.009 2 182 20 20 PHE HB3 H 3.105 0.028 2 183 20 20 PHE HD1 H 7.530 0.005 3 184 20 20 PHE HD2 H 7.530 0.005 3 185 20 20 PHE HE1 H 6.988 0.076 3 186 20 20 PHE HE2 H 6.988 0.076 3 187 20 20 PHE HZ H 7.469 0.011 1 188 20 20 PHE C C 175.213 0.000 1 189 20 20 PHE CA C 57.205 0.008 1 190 20 20 PHE CB C 40.421 0.079 1 191 20 20 PHE CD1 C 132.790 0.093 3 192 20 20 PHE CD2 C 132.790 0.093 3 193 20 20 PHE CE1 C 130.717 0.000 3 194 20 20 PHE CE2 C 130.717 0.000 3 195 20 20 PHE N N 126.381 0.152 1 196 21 21 ASP H H 8.479 0.009 1 197 21 21 ASP HA H 5.080 0.026 1 198 21 21 ASP HB2 H 2.314 0.023 2 199 21 21 ASP HB3 H 2.897 0.028 2 200 21 21 ASP C C 177.570 0.000 1 201 21 21 ASP CA C 53.187 0.187 1 202 21 21 ASP CB C 43.044 0.000 1 203 21 21 ASP N N 120.566 0.094 1 204 22 22 LEU H H 8.354 0.011 1 205 22 22 LEU HA H 4.425 0.017 1 206 22 22 LEU HB2 H 1.254 0.020 2 207 22 22 LEU HB3 H 1.367 0.001 2 208 22 22 LEU HD1 H -0.001 0.012 2 209 22 22 LEU HD2 H -0.325 0.023 2 210 22 22 LEU HG H 0.952 0.002 1 211 22 22 LEU C C 177.999 0.000 1 212 22 22 LEU CA C 53.977 0.035 1 213 22 22 LEU CB C 40.899 0.081 1 214 22 22 LEU CD1 C 52.661 17.296 2 215 22 22 LEU CD2 C 24.684 0.139 2 216 22 22 LEU CG C 27.252 0.062 1 217 22 22 LEU N N 126.379 0.121 1 218 23 23 SER H H 9.035 0.007 1 219 23 23 SER HA H 3.981 0.001 1 220 23 23 SER HB2 H 3.981 0.001 1 221 23 23 SER HB3 H 3.981 0.001 1 222 23 23 SER C C 178.497 0.000 1 223 23 23 SER CA C 61.556 0.000 1 224 23 23 SER CB C 63.072 0.004 1 225 23 23 SER N N 117.007 0.083 1 226 24 24 SER H H 8.943 0.011 1 227 24 24 SER HA H 4.294 0.003 1 228 24 24 SER HB2 H 3.894 0.000 2 229 24 24 SER HB3 H 4.024 0.045 2 230 24 24 SER C C 176.603 0.000 1 231 24 24 SER CA C 61.426 0.029 1 232 24 24 SER CB C 62.702 0.066 1 233 24 24 SER N N 118.899 0.084 1 234 25 25 LEU H H 8.031 0.010 1 235 25 25 LEU HA H 4.781 0.000 1 236 25 25 LEU HB2 H 1.663 0.032 2 237 25 25 LEU HB3 H 1.706 0.000 2 238 25 25 LEU HD1 H 0.034 0.024 1 239 25 25 LEU HG H 1.310 0.000 1 240 25 25 LEU C C 178.124 0.000 1 241 25 25 LEU CA C 54.703 0.012 1 242 25 25 LEU CB C 42.042 0.000 1 243 25 25 LEU CD1 C 25.201 0.139 2 244 25 25 LEU CD2 C 21.546 0.109 2 245 25 25 LEU CG C 26.743 0.015 1 246 25 25 LEU N N 120.776 0.091 1 247 26 26 SER H H 7.738 0.007 1 248 26 26 SER HA H 4.920 0.034 1 249 26 26 SER HB2 H 3.950 0.064 2 250 26 26 SER HB3 H 4.204 0.026 2 251 26 26 SER C C 174.877 0.000 1 252 26 26 SER CA C 59.548 0.094 1 253 26 26 SER CB C 65.116 0.000 1 254 26 26 SER N N 114.923 0.107 1 255 27 27 GLY H H 9.129 0.015 1 256 27 27 GLY HA2 H 3.882 0.009 2 257 27 27 GLY HA3 H 4.850 0.009 2 258 27 27 GLY C C 177.082 0.000 1 259 27 27 GLY CA C 44.841 0.031 1 260 27 27 GLY N N 110.706 0.094 1 261 28 28 ARG H H 8.813 0.010 1 262 28 28 ARG HA H 4.608 0.012 1 263 28 28 ARG HB2 H 1.730 0.079 2 264 28 28 ARG HB3 H 1.809 0.000 2 265 28 28 ARG HD2 H 3.229 0.000 2 266 28 28 ARG HD3 H 3.374 0.000 2 267 28 28 ARG HE H 7.892 0.018 1 268 28 28 ARG HG2 H 1.650 0.000 1 269 28 28 ARG HG3 H 1.650 0.000 1 270 28 28 ARG C C 176.580 0.000 1 271 28 28 ARG CA C 58.424 0.000 1 272 28 28 ARG CB C 31.079 0.000 1 273 28 28 ARG CD C 43.136 0.000 1 274 28 28 ARG CG C 28.662 0.000 1 275 28 28 ARG CZ C 160.497 0.000 1 276 28 28 ARG N N 123.749 0.107 1 277 28 28 ARG NE N 83.981 0.161 1 278 29 29 ALA H H 8.403 0.005 1 279 29 29 ALA HA H 4.048 0.004 1 280 29 29 ALA HB H 1.357 0.007 1 281 29 29 ALA C C 180.995 0.000 1 282 29 29 ALA CA C 54.781 0.059 1 283 29 29 ALA CB C 18.006 0.000 1 284 29 29 ALA N N 122.728 0.092 1 285 30 30 GLY H H 7.349 0.008 1 286 30 30 GLY HA2 H 3.920 0.005 1 287 30 30 GLY HA3 H 3.920 0.005 1 288 30 30 GLY C C 173.719 0.000 1 289 30 30 GLY CA C 46.727 0.043 1 290 30 30 GLY N N 102.465 0.086 1 291 31 31 PHE H H 9.359 0.016 1 292 31 31 PHE HA H 5.025 0.006 1 293 31 31 PHE HB2 H 2.505 0.007 2 294 31 31 PHE HB3 H 3.231 0.008 2 295 31 31 PHE HD1 H 7.466 0.004 3 296 31 31 PHE HD2 H 7.466 0.004 3 297 31 31 PHE HE1 H 7.932 0.008 3 298 31 31 PHE HE2 H 7.932 0.008 3 299 31 31 PHE HZ H 7.715 0.001 1 300 31 31 PHE C C 176.308 0.000 1 301 31 31 PHE CA C 57.104 0.000 1 302 31 31 PHE CB C 44.579 0.000 1 303 31 31 PHE CD1 C 131.998 0.089 3 304 31 31 PHE CD2 C 131.998 0.089 3 305 31 31 PHE CE1 C 131.966 0.075 3 306 31 31 PHE CE2 C 131.966 0.075 3 307 31 31 PHE CZ C 130.342 0.000 1 308 31 31 PHE N N 120.420 0.089 1 309 32 32 THR H H 8.670 0.010 1 310 32 32 THR HA H 5.472 0.022 1 311 32 32 THR HB H 3.931 0.039 1 312 32 32 THR HG2 H 1.131 0.018 1 313 32 32 THR C C 174.428 0.000 1 314 32 32 THR CA C 60.012 0.163 1 315 32 32 THR CB C 72.247 0.000 1 316 32 32 THR CG2 C 23.020 0.000 1 317 32 32 THR N N 112.674 0.097 1 318 33 33 ALA H H 8.837 0.009 1 319 33 33 ALA HA H 4.782 0.027 1 320 33 33 ALA HB H 1.280 0.041 1 321 33 33 ALA C C 176.832 0.000 1 322 33 33 ALA CA C 50.307 0.000 1 323 33 33 ALA CB C 21.906 0.000 1 324 33 33 ALA N N 123.441 0.078 1 325 34 34 ALA H H 8.663 0.011 1 326 34 34 ALA HA H 4.584 0.022 1 327 34 34 ALA HB H 1.479 0.032 1 328 34 34 ALA C C 178.162 0.000 1 329 34 34 ALA CA C 53.149 0.190 1 330 34 34 ALA CB C 19.501 0.029 1 331 34 34 ALA N N 125.269 0.110 1 332 35 35 TYR H H 8.231 0.024 1 333 35 35 TYR HA H 4.871 0.027 1 334 35 35 TYR HB2 H 2.710 0.020 2 335 35 35 TYR HB3 H 3.019 0.019 2 336 35 35 TYR HD1 H 6.943 0.003 3 337 35 35 TYR HD2 H 6.943 0.003 3 338 35 35 TYR HE1 H 6.687 0.036 3 339 35 35 TYR HE2 H 6.687 0.036 3 340 35 35 TYR C C 174.573 0.000 1 341 35 35 TYR CA C 56.890 0.151 1 342 35 35 TYR CB C 39.994 0.000 1 343 35 35 TYR CD1 C 132.416 0.044 3 344 35 35 TYR CD2 C 132.416 0.044 3 345 35 35 TYR CE1 C 117.857 0.000 3 346 35 35 TYR CE2 C 117.857 0.000 3 347 35 35 TYR N N 120.430 0.081 1 348 36 36 SER H H 8.156 0.008 1 349 36 36 SER HA H 4.290 0.024 1 350 36 36 SER HB2 H 3.756 0.025 2 351 36 36 SER HB3 H 3.827 0.032 2 352 36 36 SER C C 175.434 0.000 1 353 36 36 SER CA C 57.508 0.145 1 354 36 36 SER CB C 63.988 0.000 1 355 36 36 SER N N 117.969 0.099 1 356 37 37 LYS H H 8.419 0.013 1 357 37 37 LYS HA H 4.198 0.027 1 358 37 37 LYS HB2 H 1.894 0.000 1 359 37 37 LYS HB3 H 1.894 0.000 1 360 37 37 LYS HD2 H 1.702 0.012 2 361 37 37 LYS HD3 H 1.690 0.000 2 362 37 37 LYS HE2 H 3.039 0.000 1 363 37 37 LYS HE3 H 3.039 0.000 1 364 37 37 LYS HG2 H 1.475 0.020 1 365 37 37 LYS HG3 H 1.475 0.020 1 366 37 37 LYS C C 178.318 0.000 1 367 37 37 LYS CA C 58.672 0.025 1 368 37 37 LYS CB C 32.024 0.000 1 369 37 37 LYS CD C 29.159 0.119 1 370 37 37 LYS CE C 42.165 0.000 1 371 37 37 LYS CG C 25.179 0.189 1 372 37 37 LYS N N 120.124 0.089 1 373 38 38 SER H H 8.220 0.008 1 374 38 38 SER HA H 4.650 0.026 1 375 38 38 SER HB2 H 3.814 0.022 2 376 38 38 SER HB3 H 3.890 0.022 2 377 38 38 SER C C 175.035 0.000 1 378 38 38 SER CA C 58.213 0.116 1 379 38 38 SER CB C 64.662 0.000 1 380 38 38 SER N N 111.489 0.091 1 381 39 39 GLY H H 7.789 0.007 1 382 39 39 GLY HA2 H 3.688 0.018 2 383 39 39 GLY HA3 H 4.315 0.008 2 384 39 39 GLY C C 174.337 0.000 1 385 39 39 GLY CA C 45.369 0.022 1 386 39 39 GLY N N 111.185 0.095 1 387 40 40 VAL H H 8.454 0.009 1 388 40 40 VAL HA H 4.954 0.033 1 389 40 40 VAL HB H 1.772 0.001 1 390 40 40 VAL HG1 H 0.483 0.025 2 391 40 40 VAL HG2 H 0.664 0.022 2 392 40 40 VAL C C 175.649 0.000 1 393 40 40 VAL CA C 60.353 0.009 1 394 40 40 VAL CB C 35.999 0.094 1 395 40 40 VAL CG1 C 19.201 0.012 2 396 40 40 VAL CG2 C 20.983 0.095 2 397 40 40 VAL N N 117.970 0.094 1 398 41 41 VAL H H 9.023 0.008 1 399 41 41 VAL HA H 4.630 0.036 1 400 41 41 VAL HB H 1.940 0.011 1 401 41 41 VAL HG1 H 0.764 0.016 2 402 41 41 VAL HG2 H 0.838 0.025 2 403 41 41 VAL C C 176.218 0.000 1 404 41 41 VAL CA C 61.123 0.208 1 405 41 41 VAL CB C 34.365 0.000 1 406 41 41 VAL CG1 C 21.387 0.090 2 407 41 41 VAL CG2 C 21.680 0.000 2 408 41 41 VAL N N 122.994 0.072 1 409 42 42 TYR H H 8.911 0.008 1 410 42 42 TYR HA H 5.018 0.014 1 411 42 42 TYR HB2 H 2.794 0.000 2 412 42 42 TYR HB3 H 3.137 0.002 2 413 42 42 TYR HD1 H 7.118 0.005 3 414 42 42 TYR HD2 H 7.118 0.005 3 415 42 42 TYR HE1 H 6.779 0.033 3 416 42 42 TYR HE2 H 6.779 0.033 3 417 42 42 TYR C C 176.474 0.000 1 418 42 42 TYR CA C 57.457 0.000 1 419 42 42 TYR CB C 40.016 0.000 1 420 42 42 TYR CD1 C 133.195 0.046 3 421 42 42 TYR CD2 C 133.195 0.046 3 422 42 42 TYR CE1 C 117.692 0.037 3 423 42 42 TYR CE2 C 117.692 0.037 3 424 42 42 TYR N N 126.633 0.079 1 425 43 43 MET H H 8.803 0.008 1 426 43 43 MET HA H 5.748 0.031 1 427 43 43 MET HB2 H 1.770 0.000 2 428 43 43 MET HB3 H 1.838 0.000 2 429 43 43 MET HE H 0.777 0.003 1 430 43 43 MET HG2 H 2.117 0.023 2 431 43 43 MET HG3 H 2.192 0.050 2 432 43 43 MET C C 175.771 0.000 1 433 43 43 MET CA C 55.048 0.207 1 434 43 43 MET CB C 37.921 0.000 1 435 43 43 MET CE C 15.187 0.016 1 436 43 43 MET CG C 30.311 0.000 1 437 43 43 MET N N 117.588 0.088 1 438 44 44 SER H H 9.416 0.008 1 439 44 44 SER HA H 5.581 0.014 1 440 44 44 SER HB2 H 3.625 0.024 2 441 44 44 SER HB3 H 3.731 0.021 2 442 44 44 SER C C 173.872 0.000 1 443 44 44 SER CA C 58.423 0.026 1 444 44 44 SER CB C 67.977 0.000 1 445 44 44 SER N N 120.654 0.115 1 446 45 45 ILE H H 9.968 0.013 1 447 45 45 ILE HA H 4.123 0.036 1 448 45 45 ILE HB H 2.337 0.021 1 449 45 45 ILE HD1 H 0.804 0.026 1 450 45 45 ILE HG12 H 1.873 0.030 2 451 45 45 ILE HG13 H 2.049 0.026 2 452 45 45 ILE HG2 H 0.797 0.024 1 453 45 45 ILE C C 176.728 0.000 1 454 45 45 ILE CA C 58.332 0.056 1 455 45 45 ILE CB C 36.696 0.000 1 456 45 45 ILE CD1 C 9.669 0.000 1 457 45 45 ILE CG1 C 27.454 0.000 1 458 45 45 ILE CG2 C 17.569 0.042 1 459 45 45 ILE N N 123.986 0.087 1 460 46 46 CYS H H 8.216 0.007 1 461 46 46 CYS HA H 4.532 0.039 1 462 46 46 CYS HB2 H 3.219 0.023 2 463 46 46 CYS HB3 H 4.085 0.033 2 464 46 46 CYS C C 172.913 0.000 1 465 46 46 CYS CA C 56.495 0.088 1 466 46 46 CYS CB C 41.136 0.000 1 467 46 46 CYS N N 118.516 0.092 1 468 47 47 GLY H H 6.997 0.006 1 469 47 47 GLY HA2 H 3.745 0.043 2 470 47 47 GLY HA3 H 4.105 0.005 2 471 47 47 GLY C C 170.661 0.000 1 472 47 47 GLY CA C 45.341 0.000 1 473 47 47 GLY N N 100.589 0.114 1 474 48 48 GLU H H 7.910 0.009 1 475 48 48 GLU HA H 3.809 0.027 1 476 48 48 GLU HB2 H 1.573 0.000 1 477 48 48 GLU HB3 H 1.573 0.000 1 478 48 48 GLU HG2 H 1.838 0.022 2 479 48 48 GLU HG3 H 2.087 0.000 2 480 48 48 GLU C C 174.825 0.000 1 481 48 48 GLU CA C 55.070 0.012 1 482 48 48 GLU CB C 28.784 0.000 1 483 48 48 GLU CG C 34.863 0.003 1 484 48 48 GLU N N 115.227 0.101 1 485 49 49 ASN H H 8.058 0.015 1 486 49 49 ASN HA H 5.515 0.030 1 487 49 49 ASN HB2 H 2.141 0.014 2 488 49 49 ASN HB3 H 2.661 0.038 2 489 49 49 ASN HD21 H 7.079 0.004 1 490 49 49 ASN HD22 H 7.949 0.003 1 491 49 49 ASN C C 178.651 0.000 1 492 49 49 ASN CA C 52.639 0.161 1 493 49 49 ASN CB C 43.758 0.000 1 494 49 49 ASN N N 117.470 0.097 1 495 49 49 ASN ND2 N 116.873 0.057 1 496 50 50 GLU H H 9.255 0.010 1 497 50 50 GLU HA H 4.159 0.026 1 498 50 50 GLU HB2 H 1.783 0.000 1 499 50 50 GLU HG2 H 1.745 0.000 2 500 50 50 GLU HG3 H 2.264 0.025 2 501 50 50 GLU C C 176.026 0.000 1 502 50 50 GLU CA C 57.927 0.074 1 503 50 50 GLU CB C 28.888 0.000 1 504 50 50 GLU CG C 33.555 0.136 1 505 50 50 GLU N N 125.861 0.118 1 506 51 51 ASN H H 8.521 0.008 1 507 51 51 ASN HA H 4.472 0.029 1 508 51 51 ASN HB2 H 1.872 0.042 2 509 51 51 ASN HB3 H 2.199 0.014 2 510 51 51 ASN HD21 H 7.221 0.005 1 511 51 51 ASN HD22 H 7.635 0.003 1 512 51 51 ASN C C 174.287 0.000 1 513 51 51 ASN CA C 54.013 0.072 1 514 51 51 ASN CB C 39.175 0.000 1 515 51 51 ASN N N 117.718 0.105 1 516 51 51 ASN ND2 N 119.795 0.026 1 517 52 52 CYS H H 7.636 0.009 1 518 52 52 CYS HA H 5.230 0.003 1 519 52 52 CYS HB2 H 2.650 0.033 2 520 52 52 CYS HB3 H 3.117 0.026 2 521 52 52 CYS CA C 54.151 0.000 1 522 52 52 CYS CB C 39.674 0.008 1 523 52 52 CYS N N 117.399 0.119 1 524 54 54 PRO HA H 4.214 0.021 1 525 54 54 PRO HB2 H 1.866 0.011 2 526 54 54 PRO HB3 H 1.862 0.009 2 527 54 54 PRO HD2 H 2.975 0.015 2 528 54 54 PRO HD3 H 3.062 0.000 2 529 54 54 PRO HG2 H 1.686 0.000 2 530 54 54 PRO HG3 H 1.750 0.063 2 531 54 54 PRO C C 178.760 0.000 1 532 54 54 PRO CA C 64.597 0.062 1 533 54 54 PRO CB C 31.815 0.000 1 534 54 54 PRO CD C 50.337 0.024 1 535 54 54 PRO CG C 27.865 0.000 1 536 55 55 GLY H H 9.361 0.007 1 537 55 55 GLY HA2 H 3.800 0.161 2 538 55 55 GLY HA3 H 4.274 0.011 2 539 55 55 GLY C C 175.118 0.000 1 540 55 55 GLY CA C 45.511 0.063 1 541 55 55 GLY N N 112.487 0.096 1 542 56 56 VAL H H 8.216 0.006 1 543 56 56 VAL HA H 3.900 0.021 1 544 56 56 VAL HB H 2.482 0.037 1 545 56 56 VAL HG1 H 0.920 0.021 2 546 56 56 VAL HG2 H 1.232 0.023 2 547 56 56 VAL C C 175.834 0.000 1 548 56 56 VAL CA C 64.949 0.158 1 549 56 56 VAL CB C 32.012 0.113 1 550 56 56 VAL CG1 C 22.697 0.142 2 551 56 56 VAL CG2 C 24.580 0.178 2 552 56 56 VAL N N 124.730 0.095 1 553 57 57 GLY H H 8.547 0.008 1 554 57 57 GLY HA2 H 3.068 0.005 2 555 57 57 GLY HA3 H 4.038 0.456 2 556 57 57 GLY C C 171.987 0.000 1 557 57 57 GLY CA C 46.457 0.038 1 558 57 57 GLY N N 114.785 0.073 1 559 58 58 ALA H H 7.405 0.007 1 560 58 58 ALA HA H 5.844 0.030 1 561 58 58 ALA HB H 1.243 0.034 1 562 58 58 ALA C C 176.203 0.000 1 563 58 58 ALA CA C 51.146 0.040 1 564 58 58 ALA CB C 22.109 0.129 1 565 58 58 ALA N N 119.466 0.084 1 566 59 59 CYS H H 9.197 0.034 1 567 59 59 CYS HA H 5.470 0.019 1 568 59 59 CYS HB2 H 2.907 0.011 2 569 59 59 CYS HB3 H 3.147 0.027 2 570 59 59 CYS C C 172.628 0.000 1 571 59 59 CYS CA C 55.559 0.070 1 572 59 59 CYS CB C 42.945 0.000 1 573 59 59 CYS N N 114.017 0.100 1 574 60 60 PHE H H 8.550 0.008 1 575 60 60 PHE HA H 5.192 0.027 1 576 60 60 PHE HB2 H 2.892 0.015 2 577 60 60 PHE HB3 H 3.167 0.021 2 578 60 60 PHE HD1 H 6.862 0.022 3 579 60 60 PHE HD2 H 6.862 0.022 3 580 60 60 PHE HE1 H 6.491 0.002 3 581 60 60 PHE HE2 H 6.491 0.002 3 582 60 60 PHE HZ H 6.799 0.000 1 583 60 60 PHE C C 177.594 0.000 1 584 60 60 PHE CA C 58.022 0.148 1 585 60 60 PHE CB C 41.752 0.000 1 586 60 60 PHE CD1 C 130.750 0.046 3 587 60 60 PHE CD2 C 130.750 0.046 3 588 60 60 PHE CE1 C 130.579 0.090 3 589 60 60 PHE CE2 C 130.579 0.090 3 590 60 60 PHE CZ C 128.489 0.000 1 591 60 60 PHE N N 118.429 0.119 1 592 61 61 GLY H H 9.047 0.011 1 593 61 61 GLY HA2 H 4.156 0.028 2 594 61 61 GLY HA3 H 4.179 0.002 2 595 61 61 GLY C C 176.464 0.000 1 596 61 61 GLY CA C 46.297 0.025 1 597 61 61 GLY N N 108.975 0.160 1 598 62 62 GLN H H 9.120 0.010 1 599 62 62 GLN HA H 4.128 0.018 1 600 62 62 GLN HB2 H 2.294 0.055 2 601 62 62 GLN HB3 H 2.426 0.024 2 602 62 62 GLN HG2 H 2.481 0.017 2 603 62 62 GLN HG3 H 2.528 0.000 2 604 62 62 GLN CA C 59.982 0.045 1 605 62 62 GLN CB C 28.471 0.014 1 606 62 62 GLN CG C 34.514 0.211 1 607 62 62 GLN N N 119.210 0.102 1 608 63 63 THR H H 8.323 0.000 1 609 63 63 THR HA H 4.404 0.032 1 610 63 63 THR HB H 4.390 0.011 1 611 63 63 THR HG2 H 1.288 0.016 1 612 63 63 THR C C 175.925 0.000 1 613 63 63 THR CA C 61.902 0.161 1 614 63 63 THR CB C 69.862 0.000 1 615 63 63 THR CG2 C 22.171 0.000 1 616 64 64 ARG H H 7.899 0.007 1 617 64 64 ARG HA H 3.818 0.027 1 618 64 64 ARG HB2 H 1.734 0.066 1 619 64 64 ARG HB3 H 1.734 0.066 1 620 64 64 ARG HD2 H 3.239 0.033 1 621 64 64 ARG HD3 H 3.239 0.033 1 622 64 64 ARG HE H 6.972 0.012 1 623 64 64 ARG HG2 H 1.614 0.000 1 624 64 64 ARG HG3 H 1.614 0.000 1 625 64 64 ARG C C 175.873 0.000 1 626 64 64 ARG CA C 56.777 0.041 1 627 64 64 ARG CB C 27.524 0.000 1 628 64 64 ARG CD C 43.386 0.135 1 629 64 64 ARG CG C 27.762 0.000 1 630 64 64 ARG CZ C 160.260 0.000 1 631 64 64 ARG N N 116.358 0.103 1 632 64 64 ARG NE N 85.342 0.145 1 633 65 65 ILE H H 7.611 0.008 1 634 65 65 ILE HA H 3.819 0.026 1 635 65 65 ILE HB H 1.524 0.000 1 636 65 65 ILE HD1 H 0.844 0.025 1 637 65 65 ILE HG12 H 1.178 0.038 2 638 65 65 ILE HG13 H 1.510 0.025 2 639 65 65 ILE HG2 H 0.853 0.026 1 640 65 65 ILE C C 177.550 0.000 1 641 65 65 ILE CA C 61.885 0.050 1 642 65 65 ILE CB C 38.915 0.000 1 643 65 65 ILE CD1 C 12.345 0.076 1 644 65 65 ILE CG1 C 28.398 0.177 1 645 65 65 ILE CG2 C 17.381 0.000 1 646 65 65 ILE N N 120.521 0.086 1 647 66 66 SER H H 8.574 0.008 1 648 66 66 SER HA H 4.440 0.004 1 649 66 66 SER HB2 H 3.906 0.059 2 650 66 66 SER HB3 H 3.962 0.002 2 651 66 66 SER HG H 6.156 0.007 1 652 66 66 SER C C 177.604 0.000 1 653 66 66 SER CA C 57.568 0.087 1 654 66 66 SER CB C 63.956 0.000 1 655 66 66 SER N N 120.945 0.092 1 656 67 67 VAL H H 8.996 0.016 1 657 67 67 VAL HA H 4.757 0.000 1 658 67 67 VAL HB H 2.234 0.038 1 659 67 67 VAL HG1 H 0.102 0.036 2 660 67 67 VAL HG2 H 0.435 0.021 2 661 67 67 VAL C C 174.890 0.000 1 662 67 67 VAL CA C 59.650 0.011 1 663 67 67 VAL CB C 29.313 0.000 1 664 67 67 VAL CG1 C 22.986 0.024 2 665 67 67 VAL CG2 C 19.880 0.021 2 666 67 67 VAL N N 121.402 0.078 1 667 68 68 GLY H H 7.817 0.007 1 668 68 68 GLY HA2 H 3.049 0.004 2 669 68 68 GLY HA3 H 4.693 0.011 2 670 68 68 GLY C C 174.258 0.000 1 671 68 68 GLY CA C 45.442 0.049 1 672 68 68 GLY N N 106.418 0.088 1 673 69 69 LYS H H 9.103 0.008 1 674 69 69 LYS HA H 4.310 0.006 1 675 69 69 LYS HB2 H 1.825 0.029 2 676 69 69 LYS HB3 H 1.878 0.027 2 677 69 69 LYS HD2 H 1.792 0.022 2 678 69 69 LYS HD3 H 1.761 0.000 2 679 69 69 LYS HE2 H 3.100 0.002 2 680 69 69 LYS HE3 H 3.171 0.003 2 681 69 69 LYS HG2 H 1.380 0.018 2 682 69 69 LYS HG3 H 1.816 0.021 2 683 69 69 LYS C C 177.451 0.000 1 684 69 69 LYS CA C 57.230 0.071 1 685 69 69 LYS CB C 33.085 0.000 1 686 69 69 LYS CD C 29.838 0.000 1 687 69 69 LYS CE C 42.206 0.000 1 688 69 69 LYS CG C 26.108 0.000 1 689 69 69 LYS N N 126.851 0.119 1 690 70 70 ALA H H 7.982 0.007 1 691 70 70 ALA HA H 2.561 0.017 1 692 70 70 ALA HB H 0.661 0.012 1 693 70 70 ALA C C 177.144 0.000 1 694 70 70 ALA CA C 52.091 0.032 1 695 70 70 ALA CB C 18.674 0.044 1 696 70 70 ALA N N 123.947 0.075 1 697 71 71 ASN H H 7.024 0.009 1 698 71 71 ASN HA H 4.661 0.019 1 699 71 71 ASN HB2 H 3.004 0.019 2 700 71 71 ASN HB3 H 3.003 0.022 2 701 71 71 ASN HD21 H 8.011 0.007 1 702 71 71 ASN HD22 H 8.151 0.002 1 703 71 71 ASN C C 173.016 0.000 1 704 71 71 ASN CA C 53.382 0.124 1 705 71 71 ASN CB C 41.244 0.016 1 706 71 71 ASN N N 113.532 0.088 1 707 71 71 ASN ND2 N 119.291 0.016 1 708 72 72 LYS H H 8.801 0.010 1 709 72 72 LYS HA H 4.929 0.017 1 710 72 72 LYS HB2 H 2.037 0.043 1 711 72 72 LYS HB3 H 2.037 0.043 1 712 72 72 LYS HD2 H 1.797 0.000 1 713 72 72 LYS HD3 H 1.797 0.000 1 714 72 72 LYS HE2 H 3.128 0.000 1 715 72 72 LYS HE3 H 3.128 0.000 1 716 72 72 LYS HG2 H 1.314 0.029 1 717 72 72 LYS HG3 H 1.314 0.029 1 718 72 72 LYS C C 177.082 0.000 1 719 72 72 LYS CA C 54.663 0.013 1 720 72 72 LYS CB C 32.839 0.000 1 721 72 72 LYS CD C 29.973 0.000 1 722 72 72 LYS CE C 42.177 0.000 1 723 72 72 LYS CG C 24.638 0.000 1 724 72 72 LYS N N 115.759 0.105 1 725 73 73 ARG H H 8.533 0.029 1 726 73 73 ARG HA H 4.802 0.078 1 727 73 73 ARG HB2 H 1.781 0.074 1 728 73 73 ARG HB3 H 1.781 0.074 1 729 73 73 ARG HD2 H 3.240 0.024 2 730 73 73 ARG HD3 H 3.271 0.000 2 731 73 73 ARG HE H 7.574 0.014 1 732 73 73 ARG HG2 H 1.657 0.017 2 733 73 73 ARG HG3 H 1.662 0.019 2 734 73 73 ARG C C 175.165 0.000 1 735 73 73 ARG CA C 25.298 0.000 1 736 73 73 ARG CB C 29.189 0.002 1 737 73 73 ARG CD C 43.440 0.000 1 738 73 73 ARG CG C 27.548 0.061 1 739 73 73 ARG CZ C 160.525 0.000 1 740 73 73 ARG N N 122.694 0.096 1 741 73 73 ARG NE N 84.914 0.148 1 742 74 74 LEU H H 8.480 0.011 1 743 74 74 LEU HA H 4.643 0.012 1 744 74 74 LEU HB2 H 0.934 0.059 2 745 74 74 LEU HB3 H 1.644 0.000 2 746 74 74 LEU HD1 H 0.681 0.021 2 747 74 74 LEU HD2 H 0.594 0.024 2 748 74 74 LEU HG H 1.375 0.006 1 749 74 74 LEU C C 176.411 0.000 1 750 74 74 LEU CA C 54.704 0.019 1 751 74 74 LEU CB C 44.481 0.000 1 752 74 74 LEU CD1 C 24.829 0.002 2 753 74 74 LEU CD2 C 26.446 0.064 2 754 74 74 LEU CG C 26.928 0.045 1 755 74 74 LEU N N 129.674 0.128 1 756 75 75 ARG H H 8.920 0.010 1 757 75 75 ARG HA H 5.117 0.027 1 758 75 75 ARG HB2 H 1.782 0.003 2 759 75 75 ARG HB3 H 1.817 0.001 2 760 75 75 ARG HD2 H 3.194 0.031 2 761 75 75 ARG HD3 H 3.222 0.003 2 762 75 75 ARG HE H 7.266 0.026 1 763 75 75 ARG HG2 H 1.670 0.000 1 764 75 75 ARG HG3 H 1.670 0.000 1 765 75 75 ARG C C 175.421 0.000 1 766 75 75 ARG CA C 54.558 0.052 1 767 75 75 ARG CB C 34.143 0.077 1 768 75 75 ARG CD C 43.792 0.000 1 769 75 75 ARG CG C 27.459 0.000 1 770 75 75 ARG CZ C 160.460 0.000 1 771 75 75 ARG N N 123.327 0.108 1 772 75 75 ARG NE N 84.974 0.130 1 773 76 76 TYR H H 8.996 0.008 1 774 76 76 TYR HA H 4.926 0.015 1 775 76 76 TYR HB2 H 2.646 0.009 2 776 76 76 TYR HB3 H 3.137 0.008 2 777 76 76 TYR HD1 H 6.885 0.009 3 778 76 76 TYR HD2 H 6.885 0.009 3 779 76 76 TYR HE1 H 6.827 0.037 3 780 76 76 TYR HE2 H 6.827 0.037 3 781 76 76 TYR C C 175.492 0.000 1 782 76 76 TYR CA C 57.743 0.000 1 783 76 76 TYR CB C 40.328 0.000 1 784 76 76 TYR CD1 C 132.803 0.059 3 785 76 76 TYR CD2 C 132.803 0.059 3 786 76 76 TYR CE1 C 117.502 0.000 3 787 76 76 TYR CE2 C 117.502 0.000 3 788 76 76 TYR N N 124.913 0.073 1 789 77 77 VAL H H 8.746 0.007 1 790 77 77 VAL HA H 4.284 0.024 1 791 77 77 VAL HB H 1.859 0.000 1 792 77 77 VAL HG1 H 0.766 0.030 2 793 77 77 VAL HG2 H 0.808 0.021 2 794 77 77 VAL C C 175.505 0.000 1 795 77 77 VAL CA C 60.616 0.164 1 796 77 77 VAL CB C 33.640 0.000 1 797 77 77 VAL CG1 C 20.394 0.054 2 798 77 77 VAL CG2 C 20.429 0.000 2 799 77 77 VAL N N 127.962 0.118 1 800 78 78 ASP H H 9.033 0.012 1 801 78 78 ASP HA H 4.249 0.035 1 802 78 78 ASP HB2 H 2.538 0.000 2 803 78 78 ASP HB3 H 2.870 0.000 2 804 78 78 ASP C C 175.112 0.000 1 805 78 78 ASP CA C 55.963 0.011 1 806 78 78 ASP CB C 39.886 0.000 1 807 78 78 ASP N N 126.669 0.082 1 808 79 79 GLN H H 6.611 0.007 1 809 79 79 GLN HA H 3.598 0.022 1 810 79 79 GLN HB2 H 2.344 0.033 2 811 79 79 GLN HB3 H 2.538 0.017 2 812 79 79 GLN HG2 H 2.314 0.026 2 813 79 79 GLN HG3 H 2.452 0.024 2 814 79 79 GLN C C 175.176 0.000 1 815 79 79 GLN CA C 58.476 0.000 1 816 79 79 GLN CB C 27.876 0.147 1 817 79 79 GLN CG C 35.412 0.097 1 818 79 79 GLN N N 104.108 0.084 1 819 80 80 VAL H H 7.695 0.007 1 820 80 80 VAL HA H 4.492 0.050 1 821 80 80 VAL HB H 2.134 0.018 1 822 80 80 VAL HG1 H 0.870 0.040 2 823 80 80 VAL HG2 H 0.913 0.013 2 824 80 80 VAL C C 175.010 0.000 1 825 80 80 VAL CA C 60.634 0.194 1 826 80 80 VAL CB C 34.174 0.000 1 827 80 80 VAL CG1 C 20.942 0.000 2 828 80 80 VAL CG2 C 21.572 0.000 2 829 80 80 VAL N N 120.354 0.094 1 830 81 81 LEU H H 8.272 0.010 1 831 81 81 LEU HA H 5.429 0.023 1 832 81 81 LEU HB2 H 1.342 0.038 2 833 81 81 LEU HB3 H 1.730 0.000 2 834 81 81 LEU HD1 H 0.168 0.026 2 835 81 81 LEU HD2 H 0.478 0.043 2 836 81 81 LEU HG H 1.349 0.013 1 837 81 81 LEU C C 177.861 0.000 1 838 81 81 LEU CA C 52.267 0.038 1 839 81 81 LEU CB C 42.949 0.094 1 840 81 81 LEU CD1 C 23.119 0.092 2 841 81 81 LEU CD2 C 25.397 0.060 2 842 81 81 LEU CG C 27.268 0.018 1 843 81 81 LEU N N 122.414 0.108 1 844 82 82 GLN H H 9.444 0.008 1 845 82 82 GLN HA H 6.003 0.027 1 846 82 82 GLN HB2 H 1.728 0.022 2 847 82 82 GLN HB3 H 1.839 0.017 2 848 82 82 GLN HE21 H 6.729 0.001 1 849 82 82 GLN HE22 H 7.057 0.000 1 850 82 82 GLN HG2 H 2.086 0.027 2 851 82 82 GLN HG3 H 2.162 0.023 2 852 82 82 GLN C C 176.087 0.000 1 853 82 82 GLN CA C 55.086 0.177 1 854 82 82 GLN CB C 35.739 0.000 1 855 82 82 GLN CG C 35.529 0.083 1 856 82 82 GLN N N 121.781 0.109 1 857 82 82 GLN NE2 N 109.737 0.002 1 858 83 83 LEU H H 8.968 0.010 1 859 83 83 LEU HA H 4.863 0.009 1 860 83 83 LEU HB2 H 1.402 0.020 1 861 83 83 LEU HB3 H 1.402 0.020 1 862 83 83 LEU HD1 H 0.998 0.036 2 863 83 83 LEU HD2 H 1.121 0.021 2 864 83 83 LEU HG H 1.548 0.028 1 865 83 83 LEU C C 175.597 0.000 1 866 83 83 LEU CA C 53.836 0.047 1 867 83 83 LEU CB C 47.670 0.146 1 868 83 83 LEU CD1 C 24.633 0.084 2 869 83 83 LEU CD2 C 25.990 0.106 2 870 83 83 LEU CG C 27.318 0.000 1 871 83 83 LEU N N 126.144 0.081 1 872 84 84 VAL H H 9.444 0.011 1 873 84 84 VAL HA H 5.010 0.029 1 874 84 84 VAL HB H 2.066 0.022 1 875 84 84 VAL HG1 H 0.923 0.051 2 876 84 84 VAL HG2 H 0.894 0.031 2 877 84 84 VAL C C 177.181 0.000 1 878 84 84 VAL CA C 61.288 0.188 1 879 84 84 VAL CB C 34.099 0.000 1 880 84 84 VAL CG1 C 21.277 0.102 2 881 84 84 VAL CG2 C 20.837 0.043 2 882 84 84 VAL N N 122.562 0.078 1 883 85 85 TYR H H 9.376 0.007 1 884 85 85 TYR HA H 5.277 0.017 1 885 85 85 TYR HB2 H 2.912 0.018 2 886 85 85 TYR HB3 H 3.210 0.000 2 887 85 85 TYR HD1 H 6.879 0.008 3 888 85 85 TYR HD2 H 6.879 0.008 3 889 85 85 TYR HE1 H 7.124 0.007 3 890 85 85 TYR HE2 H 7.124 0.007 3 891 85 85 TYR HH H 10.306 0.003 1 892 85 85 TYR C C 175.154 0.000 1 893 85 85 TYR CA C 52.396 0.069 1 894 85 85 TYR CB C 38.431 0.141 1 895 85 85 TYR CD1 C 130.339 0.000 3 896 85 85 TYR CD2 C 130.339 0.000 3 897 85 85 TYR CE1 C 116.594 0.073 3 898 85 85 TYR CE2 C 116.594 0.073 3 899 85 85 TYR N N 129.342 0.114 1 900 86 86 LYS H H 9.073 0.010 1 901 86 86 LYS HA H 5.069 0.057 1 902 86 86 LYS HB2 H 1.779 0.039 2 903 86 86 LYS HB3 H 1.951 0.014 2 904 86 86 LYS HD2 H 1.707 0.011 2 905 86 86 LYS HD3 H 1.675 0.047 2 906 86 86 LYS HE2 H 3.014 0.007 2 907 86 86 LYS HE3 H 3.007 0.013 2 908 86 86 LYS HG2 H 1.403 0.000 2 909 86 86 LYS HG3 H 1.479 0.000 2 910 86 86 LYS C C 176.134 0.000 1 911 86 86 LYS CA C 54.497 0.000 1 912 86 86 LYS CB C 35.800 0.197 1 913 86 86 LYS CD C 29.732 0.000 1 914 86 86 LYS CE C 41.862 0.000 1 915 86 86 LYS CG C 24.537 0.000 1 916 86 86 LYS N N 122.162 0.087 1 917 87 87 ASP H H 9.231 0.009 1 918 87 87 ASP HA H 4.381 0.029 1 919 87 87 ASP HB2 H 3.001 0.020 2 920 87 87 ASP HB3 H 2.956 0.011 2 921 87 87 ASP C C 177.748 0.000 1 922 87 87 ASP CA C 55.926 0.066 1 923 87 87 ASP CB C 38.871 0.182 1 924 87 87 ASP N N 115.454 0.081 1 925 88 88 GLY H H 8.186 0.008 1 926 88 88 GLY HA2 H 3.556 0.004 2 927 88 88 GLY HA3 H 4.363 0.038 2 928 88 88 GLY C C 172.981 0.000 1 929 88 88 GLY CA C 44.809 0.012 1 930 88 88 GLY N N 103.608 0.081 1 931 89 89 SER H H 8.826 0.011 1 932 89 89 SER HA H 4.774 0.028 1 933 89 89 SER HB2 H 4.116 0.017 2 934 89 89 SER HB3 H 4.319 0.067 2 935 89 89 SER CA C 60.043 0.172 1 936 89 89 SER CB C 62.630 0.013 1 937 89 89 SER N N 115.791 0.091 1 938 90 90 PRO HA H 4.473 0.011 1 939 90 90 PRO HB2 H 1.873 0.000 2 940 90 90 PRO HB3 H 2.430 0.020 2 941 90 90 PRO HD2 H 3.633 0.047 2 942 90 90 PRO HD3 H 3.935 0.000 2 943 90 90 PRO HG2 H 2.098 0.023 2 944 90 90 PRO HG3 H 2.190 0.019 2 945 90 90 PRO C C 178.379 0.000 1 946 90 90 PRO CA C 64.076 0.139 1 947 90 90 PRO CB C 32.248 0.050 1 948 90 90 PRO CD C 50.204 0.019 1 949 90 90 PRO CG C 27.369 0.000 1 950 91 91 CYS H H 8.412 0.013 1 951 91 91 CYS HA H 4.654 0.033 1 952 91 91 CYS HB2 H 2.236 0.023 2 953 91 91 CYS HB3 H 2.759 0.019 2 954 91 91 CYS CA C 52.000 0.201 1 955 91 91 CYS CB C 42.396 0.018 1 956 91 91 CYS N N 122.749 0.096 1 957 92 92 PRO HA H 4.444 0.026 1 958 92 92 PRO HB2 H 2.074 0.061 2 959 92 92 PRO HB3 H 2.375 0.022 2 960 92 92 PRO HD2 H 3.801 0.017 2 961 92 92 PRO HD3 H 4.154 0.017 2 962 92 92 PRO HG2 H 2.167 0.025 2 963 92 92 PRO HG3 H 2.119 0.042 2 964 92 92 PRO C C 177.809 0.000 1 965 92 92 PRO CA C 64.370 0.079 1 966 92 92 PRO CB C 31.863 0.061 1 967 92 92 PRO CD C 51.859 0.141 1 968 92 92 PRO CG C 27.853 0.097 1 969 93 93 SER H H 7.461 0.008 1 970 93 93 SER HA H 4.387 0.018 1 971 93 93 SER HB2 H 3.866 0.012 2 972 93 93 SER HB3 H 3.932 0.084 2 973 93 93 SER C C 175.057 0.000 1 974 93 93 SER CA C 59.072 0.036 1 975 93 93 SER CB C 63.921 0.080 1 976 93 93 SER N N 112.325 0.094 1 977 94 94 LYS H H 7.421 0.015 1 978 94 94 LYS HA H 4.428 0.024 1 979 94 94 LYS HB2 H 1.729 0.023 2 980 94 94 LYS HB3 H 1.809 0.049 2 981 94 94 LYS HD2 H 1.753 0.023 2 982 94 94 LYS HD3 H 1.737 0.024 2 983 94 94 LYS HE2 H 3.044 0.027 1 984 94 94 LYS HE3 H 3.044 0.027 1 985 94 94 LYS HG2 H 1.404 0.000 1 986 94 94 LYS HG3 H 1.404 0.000 1 987 94 94 LYS C C 175.625 0.000 1 988 94 94 LYS CA C 56.009 0.091 1 989 94 94 LYS CB C 33.477 0.091 1 990 94 94 LYS CD C 28.566 0.000 1 991 94 94 LYS CE C 42.598 0.000 1 992 94 94 LYS CG C 24.619 0.162 1 993 94 94 LYS N N 122.227 0.127 1 994 95 95 SER H H 8.392 0.010 1 995 95 95 SER HA H 4.423 0.008 1 996 95 95 SER HB2 H 3.900 0.002 2 997 95 95 SER HB3 H 3.901 0.000 2 998 95 95 SER C C 176.480 0.000 1 999 95 95 SER CA C 59.655 0.096 1 1000 95 95 SER CB C 63.373 0.000 1 1001 95 95 SER N N 118.207 0.112 1 1002 96 96 GLY H H 8.595 0.009 1 1003 96 96 GLY HA2 H 3.858 0.021 2 1004 96 96 GLY HA3 H 4.229 0.007 2 1005 96 96 GLY C C 175.161 0.000 1 1006 96 96 GLY CA C 45.807 0.030 1 1007 96 96 GLY N N 113.193 0.097 1 1008 97 97 LEU H H 7.738 0.007 1 1009 97 97 LEU HA H 4.739 0.012 1 1010 97 97 LEU HB2 H 1.432 0.000 2 1011 97 97 LEU HB3 H 1.657 0.075 2 1012 97 97 LEU HD1 H 0.881 0.019 2 1013 97 97 LEU HD2 H 0.906 0.044 2 1014 97 97 LEU HG H 1.526 0.042 1 1015 97 97 LEU C C 177.376 0.000 1 1016 97 97 LEU CA C 54.456 0.029 1 1017 97 97 LEU CB C 43.558 0.000 1 1018 97 97 LEU CD1 C 23.450 0.086 2 1019 97 97 LEU CD2 C 25.338 0.018 2 1020 97 97 LEU CG C 29.115 0.000 1 1021 97 97 LEU N N 119.707 0.089 1 1022 98 98 SER H H 8.393 0.009 1 1023 98 98 SER HA H 4.933 0.023 1 1024 98 98 SER HB2 H 3.708 0.021 2 1025 98 98 SER HB3 H 3.859 0.020 2 1026 98 98 SER C C 174.533 0.000 1 1027 98 98 SER CA C 56.935 0.139 1 1028 98 98 SER CB C 65.878 0.062 1 1029 98 98 SER N N 117.126 0.082 1 1030 99 99 TYR H H 8.768 0.009 1 1031 99 99 TYR HA H 5.245 0.000 1 1032 99 99 TYR HB2 H 2.936 0.012 2 1033 99 99 TYR HB3 H 3.181 0.003 2 1034 99 99 TYR HD1 H 7.171 0.005 3 1035 99 99 TYR HD2 H 7.171 0.005 3 1036 99 99 TYR HE1 H 6.811 0.015 3 1037 99 99 TYR HE2 H 6.811 0.015 3 1038 99 99 TYR C C 176.686 0.000 1 1039 99 99 TYR CA C 60.046 0.006 1 1040 99 99 TYR CB C 42.164 0.000 1 1041 99 99 TYR CD1 C 133.650 0.000 3 1042 99 99 TYR CD2 C 133.650 0.000 3 1043 99 99 TYR CE1 C 117.423 0.013 3 1044 99 99 TYR CE2 C 117.423 0.013 3 1045 99 99 TYR N N 119.926 0.102 1 1046 100 100 LYS H H 8.436 0.008 1 1047 100 100 LYS HA H 5.187 0.008 1 1048 100 100 LYS HB2 H 1.970 0.023 2 1049 100 100 LYS HB3 H 1.962 0.022 2 1050 100 100 LYS HD2 H 1.564 0.014 2 1051 100 100 LYS HD3 H 1.621 0.026 2 1052 100 100 LYS HE2 H 2.896 0.003 2 1053 100 100 LYS HE3 H 2.960 0.048 2 1054 100 100 LYS HG2 H 1.277 0.018 2 1055 100 100 LYS HG3 H 1.543 0.023 2 1056 100 100 LYS C C 175.476 0.000 1 1057 100 100 LYS CA C 54.904 0.004 1 1058 100 100 LYS CB C 36.932 0.191 1 1059 100 100 LYS CD C 29.587 0.000 1 1060 100 100 LYS CE C 42.042 0.000 1 1061 100 100 LYS CG C 24.043 0.153 1 1062 100 100 LYS N N 116.751 0.113 1 1063 101 101 SER H H 9.306 0.008 1 1064 101 101 SER HA H 5.634 0.008 1 1065 101 101 SER HB2 H 3.710 0.072 2 1066 101 101 SER HB3 H 3.778 0.034 2 1067 101 101 SER C C 173.078 0.000 1 1068 101 101 SER CA C 58.561 0.028 1 1069 101 101 SER CB C 67.003 0.000 1 1070 101 101 SER N N 116.671 0.115 1 1071 102 102 VAL H H 9.196 0.019 1 1072 102 102 VAL HA H 4.480 0.054 1 1073 102 102 VAL HB H 1.946 0.020 1 1074 102 102 VAL HG1 H 0.688 0.015 2 1075 102 102 VAL HG2 H 0.907 0.030 2 1076 102 102 VAL C C 175.927 0.000 1 1077 102 102 VAL CA C 61.485 0.097 1 1078 102 102 VAL CB C 33.408 0.002 1 1079 102 102 VAL CG1 C 20.795 0.000 2 1080 102 102 VAL CG2 C 21.054 0.000 2 1081 102 102 VAL N N 125.179 0.116 1 1082 103 103 ILE H H 9.391 0.011 1 1083 103 103 ILE HA H 4.375 0.022 1 1084 103 103 ILE HB H 1.536 0.024 1 1085 103 103 ILE HD1 H 0.201 0.018 1 1086 103 103 ILE HG12 H 0.335 0.000 2 1087 103 103 ILE HG13 H 1.071 0.051 2 1088 103 103 ILE HG2 H 0.162 0.019 1 1089 103 103 ILE C C 175.071 0.000 1 1090 103 103 ILE CA C 61.134 0.166 1 1091 103 103 ILE CB C 39.882 0.000 1 1092 103 103 ILE CD1 C 14.129 0.081 1 1093 103 103 ILE CG1 C 27.840 0.075 1 1094 103 103 ILE CG2 C 18.618 0.024 1 1095 103 103 ILE N N 129.721 0.202 1 1096 104 104 SER H H 8.303 0.013 1 1097 104 104 SER HA H 5.335 0.008 1 1098 104 104 SER HB2 H 3.626 0.011 2 1099 104 104 SER HB3 H 3.901 0.016 2 1100 104 104 SER C C 173.025 0.000 1 1101 104 104 SER CA C 57.613 0.058 1 1102 104 104 SER CB C 64.403 0.000 1 1103 104 104 SER N N 121.861 0.219 1 1104 105 105 PHE H H 9.670 0.009 1 1105 105 105 PHE HA H 5.406 0.019 1 1106 105 105 PHE HB2 H 2.435 0.033 2 1107 105 105 PHE HB3 H 2.822 0.035 2 1108 105 105 PHE HD1 H 6.695 0.015 3 1109 105 105 PHE HD2 H 6.695 0.015 3 1110 105 105 PHE HE1 H 6.367 0.004 3 1111 105 105 PHE HE2 H 6.367 0.004 3 1112 105 105 PHE HZ H 6.750 0.068 1 1113 105 105 PHE C C 175.025 0.000 1 1114 105 105 PHE CA C 56.309 0.062 1 1115 105 105 PHE CB C 39.614 0.126 1 1116 105 105 PHE CD1 C 131.340 0.000 3 1117 105 105 PHE CD2 C 131.340 0.000 3 1118 105 105 PHE CE1 C 130.137 0.081 3 1119 105 105 PHE CE2 C 130.137 0.081 3 1120 105 105 PHE CZ C 128.154 0.000 1 1121 105 105 PHE N N 124.657 0.093 1 1122 106 106 VAL H H 8.409 0.008 1 1123 106 106 VAL HA H 4.429 0.015 1 1124 106 106 VAL HB H 1.388 0.024 1 1125 106 106 VAL HG1 H 0.689 0.040 2 1126 106 106 VAL HG2 H 0.889 0.034 2 1127 106 106 VAL C C 176.115 0.000 1 1128 106 106 VAL CA C 59.779 0.092 1 1129 106 106 VAL CB C 30.269 0.000 1 1130 106 106 VAL CG1 C 20.246 0.133 2 1131 106 106 VAL CG2 C 21.569 0.105 2 1132 106 106 VAL N N 120.876 0.208 1 1133 107 107 CYS H H 9.213 0.009 1 1134 107 107 CYS HA H 4.477 0.010 1 1135 107 107 CYS HB2 H 2.869 0.008 2 1136 107 107 CYS HB3 H 3.128 0.012 2 1137 107 107 CYS C C 175.851 0.000 1 1138 107 107 CYS CA C 56.958 0.069 1 1139 107 107 CYS CB C 38.841 0.067 1 1140 107 107 CYS N N 123.942 0.098 1 1141 108 108 ARG H H 7.310 0.008 1 1142 108 108 ARG HA H 4.799 0.000 1 1143 108 108 ARG HD2 H 3.246 0.013 1 1144 108 108 ARG HE H 7.328 0.014 1 1145 108 108 ARG CA C 53.605 0.000 1 1146 108 108 ARG CZ C 160.454 0.000 1 1147 108 108 ARG N N 130.598 0.107 1 1148 108 108 ARG NE N 84.596 0.115 1 1149 109 109 PRO HA H 4.365 0.026 1 1150 109 109 PRO HB2 H 2.062 0.000 2 1151 109 109 PRO HB3 H 2.349 0.000 2 1152 109 109 PRO HD2 H 3.873 0.012 2 1153 109 109 PRO HD3 H 3.857 0.000 2 1154 109 109 PRO HG2 H 2.091 0.000 2 1155 109 109 PRO HG3 H 2.136 0.045 2 1156 109 109 PRO C C 177.826 0.000 1 1157 109 109 PRO CA C 64.819 0.114 1 1158 109 109 PRO CB C 32.234 0.000 1 1159 109 109 PRO CD C 51.447 0.012 1 1160 109 109 PRO CG C 27.361 0.000 1 1161 110 110 GLU H H 8.362 0.008 1 1162 110 110 GLU HA H 4.412 0.029 1 1163 110 110 GLU HB2 H 1.964 0.000 2 1164 110 110 GLU HB3 H 2.036 0.000 2 1165 110 110 GLU HG2 H 2.265 0.000 2 1166 110 110 GLU HG3 H 2.306 0.042 2 1167 110 110 GLU C C 176.676 0.000 1 1168 110 110 GLU CA C 56.409 0.144 1 1169 110 110 GLU CB C 29.880 0.000 1 1170 110 110 GLU CG C 36.058 0.000 1 1171 110 110 GLU N N 117.418 0.095 1 1172 111 111 ALA H H 8.297 0.011 1 1173 111 111 ALA HA H 4.369 0.050 1 1174 111 111 ALA HB H 1.515 0.016 1 1175 111 111 ALA C C 178.379 0.000 1 1176 111 111 ALA CA C 52.639 0.000 1 1177 111 111 ALA CB C 19.608 0.117 1 1178 111 111 ALA N N 125.128 0.098 1 1179 112 112 GLY H H 8.239 0.015 1 1180 112 112 GLY HA2 H 4.264 0.048 2 1181 112 112 GLY HA3 H 4.350 0.000 2 1182 112 112 GLY CA C 45.262 0.000 1 1183 112 112 GLY N N 108.447 0.227 1 1184 113 113 PRO HA H 4.590 0.030 1 1185 113 113 PRO HB2 H 2.091 0.022 2 1186 113 113 PRO HB3 H 2.404 0.016 2 1187 113 113 PRO HD2 H 3.675 0.003 2 1188 113 113 PRO HD3 H 3.768 0.000 2 1189 113 113 PRO HG2 H 2.101 0.000 1 1190 113 113 PRO HG3 H 2.101 0.000 1 1191 113 113 PRO C C 178.379 0.000 1 1192 113 113 PRO CA C 64.084 0.000 1 1193 113 113 PRO CB C 32.307 0.000 1 1194 113 113 PRO CD C 50.336 0.050 1 1195 113 113 PRO CG C 27.272 0.000 1 1196 114 114 THR H H 8.166 0.009 1 1197 114 114 THR HA H 4.480 0.014 1 1198 114 114 THR HB H 4.432 0.046 1 1199 114 114 THR HG2 H 1.291 0.024 1 1200 114 114 THR C C 175.385 0.000 1 1201 114 114 THR CA C 62.140 0.095 1 1202 114 114 THR CB C 69.340 0.151 1 1203 114 114 THR CG2 C 22.031 0.005 1 1204 114 114 THR N N 111.237 0.098 1 1205 115 115 ASN H H 8.387 0.010 1 1206 115 115 ASN HA H 5.133 0.023 1 1207 115 115 ASN HB2 H 3.147 0.028 2 1208 115 115 ASN HB3 H 3.280 0.024 2 1209 115 115 ASN HD21 H 7.185 0.002 1 1210 115 115 ASN HD22 H 7.996 0.013 1 1211 115 115 ASN C C 174.276 0.000 1 1212 115 115 ASN CA C 53.251 0.021 1 1213 115 115 ASN CB C 38.336 0.187 1 1214 115 115 ASN N N 123.229 0.104 1 1215 115 115 ASN ND2 N 112.104 0.027 1 1216 116 116 ARG H H 7.959 0.009 1 1217 116 116 ARG HA H 3.930 0.031 1 1218 116 116 ARG HB2 H 1.619 0.027 2 1219 116 116 ARG HB3 H 1.886 0.060 2 1220 116 116 ARG HD2 H 3.056 0.000 1 1221 116 116 ARG HD3 H 3.056 0.000 1 1222 116 116 ARG HE H 7.214 0.012 1 1223 116 116 ARG HG2 H 1.485 0.021 2 1224 116 116 ARG HG3 H 1.638 0.019 2 1225 116 116 ARG CA C 52.592 0.027 1 1226 116 116 ARG CB C 31.534 0.036 1 1227 116 116 ARG CG C 26.132 0.056 1 1228 116 116 ARG CZ C 160.575 0.000 1 1229 116 116 ARG N N 120.488 0.086 1 1230 116 116 ARG NE N 85.246 0.151 1 1231 117 117 PRO HA H 4.150 0.004 1 1232 117 117 PRO C C 176.379 0.000 1 1233 117 117 PRO CA C 62.076 0.061 1 1234 117 117 PRO CB C 31.451 0.000 1 1235 117 117 PRO CG C 26.345 0.000 1 1236 118 118 MET H H 8.700 0.014 1 1237 118 118 MET HA H 4.849 0.030 1 1238 118 118 MET HB2 H 1.994 0.003 2 1239 118 118 MET HB3 H 2.020 0.037 2 1240 118 118 MET HE H 2.097 0.000 1 1241 118 118 MET HG2 H 2.468 0.020 2 1242 118 118 MET HG3 H 2.579 0.015 2 1243 118 118 MET C C 176.144 0.000 1 1244 118 118 MET CA C 53.872 0.165 1 1245 118 118 MET CB C 36.274 0.000 1 1246 118 118 MET CE C 17.098 0.000 1 1247 118 118 MET CG C 31.932 0.144 1 1248 118 118 MET N N 117.983 0.076 1 1249 119 119 LEU H H 9.348 0.012 1 1250 119 119 LEU HA H 4.386 0.621 1 1251 119 119 LEU HB2 H 0.991 0.044 2 1252 119 119 LEU HB3 H 1.955 0.031 2 1253 119 119 LEU HD1 H 0.160 0.024 2 1254 119 119 LEU HD2 H 0.650 0.022 2 1255 119 119 LEU HG H 1.025 0.003 1 1256 119 119 LEU C C 176.499 0.000 1 1257 119 119 LEU CA C 55.233 0.048 1 1258 119 119 LEU CB C 41.597 0.057 1 1259 119 119 LEU CD1 C 23.287 0.000 2 1260 119 119 LEU CD2 C 26.640 0.056 2 1261 119 119 LEU CG C 27.334 0.000 1 1262 119 119 LEU N N 126.726 0.110 1 1263 120 120 ILE H H 9.270 0.011 1 1264 120 120 ILE HA H 4.196 0.019 1 1265 120 120 ILE HB H 1.906 0.023 1 1266 120 120 ILE HD1 H 0.759 0.023 1 1267 120 120 ILE HG12 H 1.408 0.031 2 1268 120 120 ILE HG13 H 1.397 0.023 2 1269 120 120 ILE HG2 H 0.884 0.023 1 1270 120 120 ILE C C 177.729 0.000 1 1271 120 120 ILE CA C 61.281 0.046 1 1272 120 120 ILE CB C 37.705 0.103 1 1273 120 120 ILE CD1 C 11.039 0.096 1 1274 120 120 ILE CG1 C 26.991 0.203 1 1275 120 120 ILE CG2 C 17.795 0.119 1 1276 120 120 ILE N N 129.297 0.096 1 1277 121 121 SER H H 7.533 0.007 1 1278 121 121 SER HA H 4.518 0.020 1 1279 121 121 SER HB2 H 3.778 0.005 2 1280 121 121 SER HB3 H 3.816 0.030 2 1281 121 121 SER C C 171.839 0.000 1 1282 121 121 SER CA C 57.935 0.047 1 1283 121 121 SER CB C 65.191 0.080 1 1284 121 121 SER N N 111.049 0.162 1 1285 122 122 LEU H H 8.377 0.009 1 1286 122 122 LEU HA H 5.059 0.018 1 1287 122 122 LEU HB2 H 1.445 0.022 2 1288 122 122 LEU HB3 H 1.862 0.005 2 1289 122 122 LEU HD1 H 0.851 0.005 1 1290 122 122 LEU HD2 H 0.851 0.005 1 1291 122 122 LEU HG H 1.482 0.040 1 1292 122 122 LEU C C 176.150 0.000 1 1293 122 122 LEU CA C 55.036 0.077 1 1294 122 122 LEU CB C 44.259 0.029 1 1295 122 122 LEU CD1 C 24.846 0.000 2 1296 122 122 LEU CD2 C 24.972 0.000 2 1297 122 122 LEU CG C 29.115 0.000 1 1298 122 122 LEU N N 125.119 0.081 1 1299 123 123 ASP H H 9.324 0.008 1 1300 123 123 ASP HA H 4.999 0.011 1 1301 123 123 ASP HB2 H 2.906 0.001 2 1302 123 123 ASP HB3 H 3.148 0.003 2 1303 123 123 ASP C C 177.813 0.000 1 1304 123 123 ASP CA C 53.145 0.020 1 1305 123 123 ASP CB C 42.147 0.000 1 1306 123 123 ASP N N 126.308 0.196 1 1307 124 124 LYS H H 9.038 0.009 1 1308 124 124 LYS HA H 3.961 0.019 1 1309 124 124 LYS HB2 H 1.914 0.021 2 1310 124 124 LYS HB3 H 1.872 0.000 2 1311 124 124 LYS HD2 H 1.690 0.033 2 1312 124 124 LYS HD3 H 1.696 0.035 2 1313 124 124 LYS HE2 H 3.119 0.000 1 1314 124 124 LYS HE3 H 3.119 0.000 1 1315 124 124 LYS HG2 H 1.507 0.004 2 1316 124 124 LYS HG3 H 1.501 0.000 2 1317 124 124 LYS C C 178.703 0.000 1 1318 124 124 LYS CA C 59.158 0.070 1 1319 124 124 LYS CB C 32.877 0.148 1 1320 124 124 LYS CD C 29.518 0.000 1 1321 124 124 LYS CE C 42.154 0.000 1 1322 124 124 LYS CG C 26.037 0.029 1 1323 124 124 LYS N N 127.028 0.107 1 1324 125 125 GLN H H 8.502 0.031 1 1325 125 125 GLN HA H 4.203 0.039 1 1326 125 125 GLN HB2 H 2.173 0.014 2 1327 125 125 GLN HB3 H 2.360 0.068 2 1328 125 125 GLN HE21 H 6.959 0.005 1 1329 125 125 GLN HE22 H 7.670 0.001 1 1330 125 125 GLN HG2 H 2.491 0.026 2 1331 125 125 GLN HG3 H 2.485 0.025 2 1332 125 125 GLN C C 178.077 0.000 1 1333 125 125 GLN CA C 58.401 0.161 1 1334 125 125 GLN CB C 28.439 0.000 1 1335 125 125 GLN CG C 34.552 0.191 1 1336 125 125 GLN N N 116.253 0.096 1 1337 125 125 GLN NE2 N 112.360 0.027 1 1338 126 126 THR H H 7.207 0.007 1 1339 126 126 THR HA H 4.429 0.059 1 1340 126 126 THR HB H 4.404 0.073 1 1341 126 126 THR HG2 H 1.191 0.036 1 1342 126 126 THR C C 174.993 0.000 1 1343 126 126 THR CA C 60.733 0.100 1 1344 126 126 THR CB C 70.580 0.043 1 1345 126 126 THR CG2 C 20.834 0.000 1 1346 126 126 THR N N 103.623 0.079 1 1347 127 127 CYS H H 8.045 0.007 1 1348 127 127 CYS HA H 3.696 0.024 1 1349 127 127 CYS HB2 H 2.706 0.030 2 1350 127 127 CYS HB3 H 3.090 0.025 2 1351 127 127 CYS C C 172.896 0.000 1 1352 127 127 CYS CA C 58.834 0.120 1 1353 127 127 CYS CB C 40.604 0.197 1 1354 127 127 CYS N N 117.337 0.095 1 1355 128 128 THR H H 7.523 0.008 1 1356 128 128 THR HA H 5.029 0.034 1 1357 128 128 THR HB H 3.627 0.030 1 1358 128 128 THR HG2 H 0.319 0.020 1 1359 128 128 THR C C 173.318 0.000 1 1360 128 128 THR CA C 62.037 0.122 1 1361 128 128 THR CB C 70.241 0.000 1 1362 128 128 THR CG2 C 22.180 0.042 1 1363 128 128 THR N N 111.115 0.099 1 1364 129 129 LEU H H 9.203 0.008 1 1365 129 129 LEU HA H 4.679 0.009 1 1366 129 129 LEU HB2 H 1.188 0.013 2 1367 129 129 LEU HB3 H 1.849 0.008 2 1368 129 129 LEU HD1 H 0.729 0.022 2 1369 129 129 LEU HD2 H 0.941 0.026 2 1370 129 129 LEU HG H 1.556 0.018 1 1371 129 129 LEU C C 174.665 0.000 1 1372 129 129 LEU CA C 56.562 0.021 1 1373 129 129 LEU CB C 43.262 0.172 1 1374 129 129 LEU CD1 C 27.156 0.093 2 1375 129 129 LEU CD2 C 25.335 0.036 2 1376 129 129 LEU CG C 32.219 0.012 1 1377 129 129 LEU N N 129.849 0.105 1 1378 130 130 PHE H H 8.573 0.009 1 1379 130 130 PHE HA H 5.131 0.020 1 1380 130 130 PHE HB2 H 2.915 0.018 1 1381 130 130 PHE HB3 H 2.915 0.018 1 1382 130 130 PHE HD1 H 7.208 0.005 3 1383 130 130 PHE HD2 H 7.208 0.005 3 1384 130 130 PHE HE1 H 7.309 0.010 3 1385 130 130 PHE HE2 H 7.309 0.010 3 1386 130 130 PHE HZ H 7.209 0.000 1 1387 130 130 PHE C C 175.628 0.000 1 1388 130 130 PHE CA C 57.339 0.000 1 1389 130 130 PHE CB C 40.261 0.114 1 1390 130 130 PHE CD1 C 131.742 0.090 3 1391 130 130 PHE CD2 C 131.742 0.090 3 1392 130 130 PHE CE1 C 130.528 0.000 3 1393 130 130 PHE CE2 C 130.528 0.000 3 1394 130 130 PHE CZ C 128.876 0.000 1 1395 130 130 PHE N N 119.770 0.088 1 1396 131 131 PHE H H 9.487 0.010 1 1397 131 131 PHE HA H 5.765 0.019 1 1398 131 131 PHE HB2 H 2.648 0.023 2 1399 131 131 PHE HB3 H 2.843 0.037 2 1400 131 131 PHE HD1 H 7.103 0.005 3 1401 131 131 PHE HD2 H 7.103 0.005 3 1402 131 131 PHE HE1 H 6.792 0.008 3 1403 131 131 PHE HE2 H 6.792 0.008 3 1404 131 131 PHE HZ H 6.900 0.067 1 1405 131 131 PHE C C 176.818 0.000 1 1406 131 131 PHE CA C 55.862 0.051 1 1407 131 131 PHE CB C 43.439 0.128 1 1408 131 131 PHE CD1 C 131.167 0.047 3 1409 131 131 PHE CD2 C 131.167 0.047 3 1410 131 131 PHE CE1 C 131.292 0.046 3 1411 131 131 PHE CE2 C 131.292 0.046 3 1412 131 131 PHE CZ C 129.069 0.000 1 1413 131 131 PHE N N 120.548 0.088 1 1414 132 132 SER H H 9.377 0.009 1 1415 132 132 SER HA H 5.490 0.008 1 1416 132 132 SER HB2 H 3.714 0.005 2 1417 132 132 SER HB3 H 3.722 0.002 2 1418 132 132 SER C C 174.280 0.000 1 1419 132 132 SER CA C 56.744 0.049 1 1420 132 132 SER CB C 66.449 0.000 1 1421 132 132 SER N N 117.038 0.079 1 1422 133 133 TRP H H 9.025 0.009 1 1423 133 133 TRP HA H 4.905 0.029 1 1424 133 133 TRP HB2 H 2.305 0.032 2 1425 133 133 TRP HB3 H 3.007 0.010 2 1426 133 133 TRP HD1 H 6.995 0.030 1 1427 133 133 TRP HE1 H 9.749 0.006 1 1428 133 133 TRP HZ2 H 6.797 0.002 1 1429 133 133 TRP HZ3 H 6.489 0.006 1 1430 133 133 TRP C C 176.131 0.000 1 1431 133 133 TRP CA C 55.723 0.187 1 1432 133 133 TRP CB C 31.570 0.000 1 1433 133 133 TRP CD1 C 122.708 0.000 1 1434 133 133 TRP CZ2 C 114.193 0.039 1 1435 133 133 TRP CZ3 C 120.204 0.000 1 1436 133 133 TRP N N 129.154 0.110 1 1437 133 133 TRP NE1 N 127.187 0.088 1 1438 134 134 HIS H H 9.292 0.024 1 1439 134 134 HIS HA H 5.479 0.021 1 1440 134 134 HIS HB2 H 2.966 0.022 2 1441 134 134 HIS HB3 H 3.303 0.018 2 1442 134 134 HIS HD2 H 7.424 0.000 1 1443 134 134 HIS C C 174.827 0.000 1 1444 134 134 HIS CA C 55.595 0.090 1 1445 134 134 HIS CB C 29.763 0.125 1 1446 134 134 HIS CD2 C 120.485 0.000 1 1447 134 134 HIS N N 128.036 0.110 1 1448 135 135 THR H H 9.061 0.007 1 1449 135 135 THR HA H 5.446 0.028 1 1450 135 135 THR HB H 4.391 0.025 1 1451 135 135 THR HG2 H 1.132 0.032 1 1452 135 135 THR CA C 56.930 0.173 1 1453 135 135 THR CB C 69.601 0.000 1 1454 135 135 THR CG2 C 19.845 0.000 1 1455 135 135 THR N N 119.846 0.080 1 1456 136 136 PRO HA H 4.830 0.015 1 1457 136 136 PRO HB2 H 2.026 0.025 2 1458 136 136 PRO HB3 H 2.549 0.023 2 1459 136 136 PRO HD2 H 3.837 0.000 1 1460 136 136 PRO HD3 H 3.837 0.000 1 1461 136 136 PRO HG2 H 2.059 0.060 2 1462 136 136 PRO HG3 H 2.161 0.000 2 1463 136 136 PRO C C 180.299 0.000 1 1464 136 136 PRO CA C 64.713 0.082 1 1465 136 136 PRO CB C 32.265 0.110 1 1466 136 136 PRO CD C 52.630 0.000 1 1467 136 136 PRO CG C 27.454 0.233 1 1468 137 137 LEU H H 8.549 0.007 1 1469 137 137 LEU HA H 4.242 0.011 1 1470 137 137 LEU HB2 H 1.364 0.000 2 1471 137 137 LEU HB3 H 1.481 0.000 2 1472 137 137 LEU HD1 H 0.767 0.022 2 1473 137 137 LEU HD2 H 0.949 0.026 2 1474 137 137 LEU HG H 1.595 0.041 1 1475 137 137 LEU C C 177.780 0.000 1 1476 137 137 LEU CA C 56.574 0.034 1 1477 137 137 LEU CB C 42.166 0.054 1 1478 137 137 LEU CD1 C 25.894 0.123 2 1479 137 137 LEU CD2 C 22.212 0.060 2 1480 137 137 LEU CG C 27.330 0.013 1 1481 137 137 LEU N N 118.818 0.102 1 1482 138 138 ALA H H 7.176 0.008 1 1483 138 138 ALA HA H 4.524 0.042 1 1484 138 138 ALA HB H 1.183 0.014 1 1485 138 138 ALA C C 175.839 0.000 1 1486 138 138 ALA CA C 51.363 0.152 1 1487 138 138 ALA CB C 19.082 0.055 1 1488 138 138 ALA N N 116.822 0.071 1 1489 139 139 CYS H H 7.607 0.008 1 1490 139 139 CYS HA H 4.960 0.004 1 1491 139 139 CYS HB2 H 3.091 0.015 2 1492 139 139 CYS HB3 H 3.334 0.004 2 1493 139 139 CYS C C 174.251 0.000 1 1494 139 139 CYS CA C 54.170 0.041 1 1495 139 139 CYS CB C 42.508 0.066 1 1496 139 139 CYS N N 117.030 0.095 1 1497 140 140 GLU H H 9.022 0.008 1 1498 140 140 GLU HA H 4.244 0.021 1 1499 140 140 GLU HB2 H 1.599 0.024 2 1500 140 140 GLU HB3 H 1.574 0.000 2 1501 140 140 GLU HG2 H 1.802 0.020 2 1502 140 140 GLU HG3 H 2.020 0.000 2 1503 140 140 GLU CA C 53.604 0.021 1 1504 140 140 GLU CB C 31.015 0.000 1 1505 140 140 GLU CG C 35.999 0.001 1 1506 140 140 GLU N N 123.132 0.082 1 1507 141 141 PRO HA H 4.388 0.025 1 1508 141 141 PRO HB2 H 1.901 0.000 2 1509 141 141 PRO HB3 H 2.265 0.000 2 1510 141 141 PRO HD2 H 3.245 0.018 2 1511 141 141 PRO HD3 H 3.334 0.000 2 1512 141 141 PRO HG2 H 1.908 0.000 2 1513 141 141 PRO HG3 H 1.973 0.000 2 1514 141 141 PRO C C 176.813 0.000 1 1515 141 141 PRO CA C 63.440 0.069 1 1516 141 141 PRO CB C 32.233 0.110 1 1517 141 141 PRO CD C 50.503 0.030 1 1518 141 141 PRO CG C 27.611 0.207 1 1519 142 142 GLU H H 8.162 0.010 1 1520 142 142 GLU HA H 4.131 0.021 1 1521 142 142 GLU HB2 H 1.928 0.024 2 1522 142 142 GLU HB3 H 2.074 0.023 2 1523 142 142 GLU HG2 H 2.315 0.025 2 1524 142 142 GLU HG3 H 2.300 0.001 2 1525 142 142 GLU CA C 58.030 0.000 1 1526 142 142 GLU CB C 31.059 0.000 1 1527 142 142 GLU CG C 36.463 0.157 1 1528 142 142 GLU N N 126.705 0.079 1 stop_ save_