data_6001 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 15N and 13C resonance assignments of the C345C domain of the complement component C5 ; _BMRB_accession_number 6001 _BMRB_flat_file_name bmr6001.str _Entry_type original _Submission_date 2003-11-11 _Accession_date 2003-11-11 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Bramham Janice . . 2 Thai Chuong-Thu . . 3 Mark Rance . . 4 Uhrin Dusan . . 5 Assa-Munt Nuria . . 6 Ogata Ronald T. . 7 Barlow Paul N. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 855 "13C chemical shifts" 510 "15N chemical shifts" 157 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2004-04-07 original author . stop_ _Original_release_date 2004-04-07 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Letter to the Editor: 1H, 15N and 13C resonance assignments of the C345C domain of the complement component C5 ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 15014240 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Bramham Janice . . 2 Rance Mark . . 3 Thai Chuong-Thu . . 4 Uhrin Dusan . . 5 Assa-Munt Nuria . . 6 Ogata Ronald T. . 7 Barlow Paul N. . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 29 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 217 _Page_last 218 _Year 2004 _Details . loop_ _Keyword C345C complement NTR NMR 'chemical shift assignment' stop_ save_ ####################################### # Cited references within the entry # ####################################### save_ref_1 _Saveframe_category citation _Citation_full 'J. Biomol. NMR (1995) 6, 135-140.' _Citation_title . _Citation_status . _Citation_type . _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? _Journal_abbreviation . _Journal_name_full . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_system_C5_C345C _Saveframe_category molecular_system _Mol_system_name 'C5 C345C domain' _Abbreviation_common 'C5 C345C' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'C5 C345C domain' $C5_C345C stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not reported' loop_ _Biological_function 'protein-protein interactions in complement membrane attack complex' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_C5_C345C _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'C terminal domain of C5' _Name_variant F1613A _Abbreviation_common 'C5 C345C' _Molecular_mass 17129.6 _Mol_thiol_state 'not reported' _Details ; F1613A mutant. 4 N-terminal residues are vector-derived: G1508, S1509, H1510 and M1511. The protein has six cysteines that are proposed to form three disulphide bonds. The predicted disulphide bonding pattern has yet to be confirmed experimentally. ; ############################## # Polymer residue sequence # ############################## _Residue_count 151 _Mol_residue_sequence ; GSHMADCGQMQEELDLTISA ETRKQTACKPEIAYAYKVSI TSITVENVFVKYKATLLDIY KTGEAVAEKDSEITFIKKVT CTNAELVKGRQYLIMGKEAL QIKYNASFRYIYPLDSLTWI EYWPRDTTCSSCQAFLANLD EFAEDIFLNGC ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1508 GLY 2 1509 SER 3 1510 HIS 4 1511 MET 5 1512 ALA 6 1513 ASP 7 1514 CYS 8 1515 GLY 9 1516 GLN 10 1517 MET 11 1518 GLN 12 1519 GLU 13 1520 GLU 14 1521 LEU 15 1522 ASP 16 1523 LEU 17 1524 THR 18 1525 ILE 19 1526 SER 20 1527 ALA 21 1528 GLU 22 1529 THR 23 1530 ARG 24 1531 LYS 25 1532 GLN 26 1533 THR 27 1534 ALA 28 1535 CYS 29 1536 LYS 30 1537 PRO 31 1538 GLU 32 1539 ILE 33 1540 ALA 34 1541 TYR 35 1542 ALA 36 1543 TYR 37 1544 LYS 38 1545 VAL 39 1546 SER 40 1547 ILE 41 1548 THR 42 1549 SER 43 1550 ILE 44 1551 THR 45 1552 VAL 46 1553 GLU 47 1554 ASN 48 1555 VAL 49 1556 PHE 50 1557 VAL 51 1558 LYS 52 1559 TYR 53 1560 LYS 54 1561 ALA 55 1562 THR 56 1563 LEU 57 1564 LEU 58 1565 ASP 59 1566 ILE 60 1567 TYR 61 1568 LYS 62 1569 THR 63 1570 GLY 64 1571 GLU 65 1572 ALA 66 1573 VAL 67 1574 ALA 68 1575 GLU 69 1576 LYS 70 1577 ASP 71 1578 SER 72 1579 GLU 73 1580 ILE 74 1581 THR 75 1582 PHE 76 1583 ILE 77 1584 LYS 78 1585 LYS 79 1586 VAL 80 1587 THR 81 1588 CYS 82 1589 THR 83 1590 ASN 84 1591 ALA 85 1592 GLU 86 1593 LEU 87 1594 VAL 88 1595 LYS 89 1596 GLY 90 1597 ARG 91 1598 GLN 92 1599 TYR 93 1600 LEU 94 1601 ILE 95 1602 MET 96 1603 GLY 97 1604 LYS 98 1605 GLU 99 1606 ALA 100 1607 LEU 101 1608 GLN 102 1609 ILE 103 1610 LYS 104 1611 TYR 105 1612 ASN 106 1613 ALA 107 1614 SER 108 1615 PHE 109 1616 ARG 110 1617 TYR 111 1618 ILE 112 1619 TYR 113 1620 PRO 114 1621 LEU 115 1622 ASP 116 1623 SER 117 1624 LEU 118 1625 THR 119 1626 TRP 120 1627 ILE 121 1628 GLU 122 1629 TYR 123 1630 TRP 124 1631 PRO 125 1632 ARG 126 1633 ASP 127 1634 THR 128 1635 THR 129 1636 CYS 130 1637 SER 131 1638 SER 132 1639 CYS 133 1640 GLN 134 1641 ALA 135 1642 PHE 136 1643 LEU 137 1644 ALA 138 1645 ASN 139 1646 LEU 140 1647 ASP 141 1648 GLU 142 1649 PHE 143 1650 ALA 144 1651 GLU 145 1652 ASP 146 1653 ILE 147 1654 PHE 148 1655 LEU 149 1656 ASN 150 1657 GLY 151 1658 CYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 1XWE "Nmr Structure Of C345c (Ntr) Domain Of C5 Of Complement" 100.00 151 100.00 100.00 6.61e-107 PDB 3CU7 "Human Complement Component 5" 97.35 1676 99.32 99.32 1.43e-92 PDB 3KLS "Structure Of Complement C5 In Complex With Ssl7" 97.35 1676 99.32 99.32 1.43e-92 PDB 3KM9 "Structure Of Complement C5 In Complex With The C-Terminal Beta-Grasp Domain Of Ssl7" 97.35 1676 99.32 99.32 1.43e-92 PDB 3PRX "Structure Of Complement C5 In Complex With Cvf And Ssl7" 97.35 1676 99.32 99.32 1.43e-92 PDB 3PVM "Structure Of Complement C5 In Complex With Cvf" 97.35 1676 99.32 99.32 1.43e-92 PDB 4A5W "Crystal Structure Of C5b6" 97.35 1580 99.32 99.32 5.88e-93 PDB 4E0S "Crystal Structure Of C5b-6" 97.35 1676 99.32 99.32 1.43e-92 GB AAA51856 "complement component C5, partial [Homo sapiens]" 97.35 1265 99.32 99.32 4.33e-93 GB AAA51925 "complement component C5 [Homo sapiens]" 97.35 1676 99.32 99.32 1.43e-92 GB AAI13739 "Complement component 5 [Homo sapiens]" 97.35 1676 99.32 99.32 1.43e-92 GB AAI13741 "Complement component 5 [Homo sapiens]" 97.35 1676 99.32 99.32 1.43e-92 GB ABD48959 "complement component 5 [Homo sapiens]" 97.35 1676 99.32 99.32 1.43e-92 REF NP_001726 "complement C5 preproprotein [Homo sapiens]" 97.35 1676 99.32 99.32 1.43e-92 REF XP_003264119 "PREDICTED: complement C5 [Nomascus leucogenys]" 97.35 1676 98.64 99.32 4.48e-92 REF XP_003833147 "PREDICTED: complement C5 isoform X2 [Pan paniscus]" 97.35 1676 97.96 98.64 1.34e-91 REF XP_004048612 "PREDICTED: complement C5 [Gorilla gorilla gorilla]" 97.35 1597 97.96 97.96 1.82e-91 REF XP_008956866 "PREDICTED: complement C5 isoform X1 [Pan paniscus]" 97.35 1681 97.96 98.64 1.51e-91 SP P01031 "RecName: Full=Complement C5; AltName: Full=C3 and PZP-like alpha-2-macroglobulin domain-containing protein 4; Contains: RecName" 97.35 1676 99.32 99.32 1.43e-92 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Tissue _Fraction $C5_C345C Human 9606 Eukaryota Metazoa Homo sapiens blood extracellular stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $C5_C345C 'recombinant technology' 'E. coli' Escherichia coli ORIGAMI plasmid pET15b 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 $C5_C345C . mM 0.5 1.0 '[U->98% 13C; U->98% 15N]' NaCl 100 mM . . . 'Na phosphate' 20 mM . . . stop_ save_ ############################ # Computer software used # ############################ save_AZARA _Saveframe_category software _Name AZARA _Version 2.6 loop_ _Task 'processing raw NMR data' stop_ _Details ; A suite of programs to process and view NMR data. copyright (C) 1993-2002 Wayne Boucher and Department of Biochemistry, University of Cambridge. ; save_ save_ANSIG _Saveframe_category software _Name ANSIG _Version 3.3 loop_ _Task 'peak assignment' stop_ _Details ; A program for viewing and assigning multidimensional NMR spectra by interactive graphics. P.J. Kraulis. J. Magn. Reson. (1989) 24, 627-633. ; save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 800 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H,15N-HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name 1H,15N-HSQC _Sample_label $sample_1 save_ save_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label $sample_1 save_ save_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label $sample_1 save_ save_(H)C(CO)NH-TOCSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name (H)C(CO)NH-TOCSY _Sample_label $sample_1 save_ save_TOCSY-HSQC_5 _Saveframe_category NMR_applied_experiment _Experiment_name TOCSY-HSQC _Sample_label $sample_1 save_ save_H(C)(CO)NH-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name H(C)(CO)NH-TOCSY _Sample_label $sample_1 save_ save_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label $sample_1 save_ save_13C-editted_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '13C-editted NOESY' _Sample_label $sample_1 save_ save_(HB)CB(CGCD)HD_9 _Saveframe_category NMR_applied_experiment _Experiment_name (HB)CB(CGCD)HD _Sample_label $sample_1 save_ save_(HB)CB(CGCDCE)HE_10 _Saveframe_category NMR_applied_experiment _Experiment_name (HB)CB(CGCDCE)HE _Sample_label $sample_1 save_ save_TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name TOCSY _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_Sample_conditions _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.0 0.2 n/a temperature 303 0.5 K 'ionic strength' 0.1 0.05 M stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _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 H2O H 1 protons ppm 4.766 internal direct . internal . 1.000000000 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 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_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $Sample_conditions _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'C5 C345C domain' _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 . 3 HIS CA C 56.1 0.2 1 2 . 3 HIS CB C 29.8 0.2 1 3 . 4 MET H H 8.46 0.03 1 4 . 4 MET HE H 2.12 0.03 1 5 . 4 MET CA C 55.7 0.2 1 6 . 4 MET CB C 32.9 0.2 1 7 . 4 MET CE C 17.1 0.2 1 8 . 4 MET N N 121.8 0.2 1 9 . 5 ALA H H 8.43 0.07 1 10 . 5 ALA HA H 4.31 0.03 1 11 . 5 ALA HB H 1.42 0.03 1 12 . 5 ALA CA C 53.1 0.2 1 13 . 5 ALA CB C 19.3 0.2 1 14 . 5 ALA N N 125.2 0.2 1 15 . 6 ASP H H 8.35 0.04 1 16 . 6 ASP HA H 4.70 0.03 1 17 . 6 ASP HB2 H 2.87 0.03 2 18 . 6 ASP HB3 H 2.71 0.03 2 19 . 6 ASP CA C 54.3 0.2 1 20 . 6 ASP CB C 40.9 0.2 1 21 . 6 ASP N N 118.3 0.3 1 22 . 7 CYS H H 7.97 0.07 1 23 . 7 CYS HA H 5.05 0.03 1 24 . 7 CYS HB2 H 3.36 0.03 2 25 . 7 CYS HB3 H 2.76 0.03 2 26 . 7 CYS CA C 52.9 0.2 1 27 . 7 CYS CB C 39.4 0.2 1 28 . 7 CYS N N 117.3 0.3 1 29 . 8 GLY H H 8.34 0.04 1 30 . 8 GLY HA2 H 4.29 0.03 2 31 . 8 GLY HA3 H 3.46 0.03 2 32 . 8 GLY CA C 44.8 0.2 1 33 . 8 GLY N N 109.1 0.3 1 34 . 9 GLN H H 8.48 0.03 1 35 . 9 GLN HA H 4.47 0.03 1 36 . 9 GLN HB2 H 1.92 0.03 2 37 . 9 GLN HB3 H 1.86 0.03 2 38 . 9 GLN HG2 H 2.19 0.03 1 39 . 9 GLN HG3 H 2.19 0.03 1 40 . 9 GLN HE21 H 7.42 0.03 2 41 . 9 GLN HE22 H 6.72 0.03 2 42 . 9 GLN CA C 53.9 0.2 1 43 . 9 GLN CB C 31.0 0.2 1 44 . 9 GLN CG C 33.2 0.2 1 45 . 9 GLN N N 118.4 0.2 1 46 . 9 GLN NE2 N 112.2 0.2 1 47 . 10 MET H H 8.39 0.03 1 48 . 10 MET HA H 4.45 0.03 1 49 . 10 MET HB2 H 2.00 0.03 2 50 . 10 MET HB3 H 1.81 0.03 2 51 . 10 MET HG2 H 2.52 0.03 1 52 . 10 MET HG3 H 2.52 0.03 1 53 . 10 MET HE H 1.96 0.03 1 54 . 10 MET CA C 55.2 0.2 1 55 . 10 MET CB C 34.3 0.2 1 56 . 10 MET CG C 31.1 0.2 1 57 . 10 MET CE C 17.0 0.2 1 58 . 10 MET N N 123.0 0.2 1 59 . 11 GLN H H 8.22 0.03 1 60 . 11 GLN HA H 3.9 0.03 1 61 . 11 GLN HB2 H 2.13 0.03 2 62 . 11 GLN HB3 H 1.69 0.03 2 63 . 11 GLN HG2 H 1.49 0.03 2 64 . 11 GLN HG3 H 1.19 0.03 2 65 . 11 GLN HE21 H 6.07 0.03 2 66 . 11 GLN HE22 H 5.90 0.03 2 67 . 11 GLN CA C 55.1 0.2 1 68 . 11 GLN CB C 28.1 0.2 1 69 . 11 GLN CG C 32.1 0.2 1 70 . 11 GLN N N 121.0 0.3 1 71 . 11 GLN NE2 N 114.2 0.2 1 72 . 12 GLU H H 9.18 0.03 1 73 . 12 GLU HA H 4.01 0.03 1 74 . 12 GLU HB2 H 1.95 0.03 2 75 . 12 GLU HB3 H 1.87 0.03 2 76 . 12 GLU HG2 H 2.36 0.03 2 77 . 12 GLU HG3 H 2.26 0.03 2 78 . 12 GLU CA C 56.9 0.2 1 79 . 12 GLU CB C 29.5 0.2 1 80 . 12 GLU CG C 36.2 0.2 1 81 . 12 GLU N N 125.0 0.2 1 82 . 13 GLU H H 8.48 0.03 1 83 . 13 GLU HA H 4.16 0.03 1 84 . 13 GLU HB2 H 1.90 0.03 1 85 . 13 GLU HB3 H 1.90 0.03 1 86 . 13 GLU HG2 H 2.44 0.03 2 87 . 13 GLU HG3 H 2.18 0.03 2 88 . 13 GLU CA C 57.7 0.2 1 89 . 13 GLU CB C 30.1 0.2 1 90 . 13 GLU CG C 37.5 0.2 1 91 . 13 GLU N N 122.8 0.2 1 92 . 14 LEU H H 8.90 0.03 1 93 . 14 LEU HA H 1.58 0.03 1 94 . 14 LEU HB2 H 1.66 0.03 2 95 . 14 LEU HB3 H 1.08 0.03 2 96 . 14 LEU HG H 1.22 0.03 1 97 . 14 LEU HD1 H 0.88 0.03 2 98 . 14 LEU HD2 H 0.57 0.03 2 99 . 14 LEU CA C 54.6 0.2 1 100 . 14 LEU CB C 38.5 0.2 1 101 . 14 LEU CG C 28.0 0.2 1 102 . 14 LEU CD1 C 26.7 0.2 2 103 . 14 LEU CD2 C 25.4 0.2 2 104 . 14 LEU N N 123.0 0.2 1 105 . 15 ASP H H 7.84 0.03 1 106 . 15 ASP HA H 4.43 0.03 1 107 . 15 ASP HB2 H 3.21 0.03 2 108 . 15 ASP HB3 H 2.24 0.03 2 109 . 15 ASP CA C 54.1 0.2 1 110 . 15 ASP CB C 40.1 0.2 1 111 . 15 ASP N N 117.0 0.2 1 112 . 16 LEU H H 8.64 0.03 1 113 . 16 LEU HA H 4.25 0.03 1 114 . 16 LEU HB2 H 1.87 0.03 2 115 . 16 LEU HB3 H 1.73 0.03 2 116 . 16 LEU HG H 1.97 0.03 1 117 . 16 LEU HD1 H 1.04 0.03 2 118 . 16 LEU HD2 H 1.00 0.03 2 119 . 16 LEU CA C 56.2 0.2 1 120 . 16 LEU CB C 41.6 0.2 1 121 . 16 LEU CG C 27.0 0.2 1 122 . 16 LEU CD1 C 25.3 0.2 2 123 . 16 LEU CD2 C 22.9 0.2 2 124 . 16 LEU N N 128.3 0.2 1 125 . 17 THR H H 8.89 0.03 1 126 . 17 THR HA H 4.26 0.03 1 127 . 17 THR HB H 4.34 0.03 1 128 . 17 THR HG2 H 1.25 0.03 1 129 . 17 THR CA C 63.2 0.2 1 130 . 17 THR CB C 69.1 0.2 1 131 . 17 THR CG2 C 21.5 0.2 1 132 . 17 THR N N 110.1 0.2 1 133 . 18 ILE H H 6.66 0.03 1 134 . 18 ILE HA H 4.20 0.03 1 135 . 18 ILE HB H 1.94 0.03 1 136 . 18 ILE HG12 H 1.54 0.03 2 137 . 18 ILE HG13 H 1.00 0.03 2 138 . 18 ILE HG2 H 1.09 0.03 1 139 . 18 ILE HD1 H 1.09 0.03 1 140 . 18 ILE CA C 61.2 0.2 1 141 . 18 ILE CB C 38.8 0.2 1 142 . 18 ILE CG1 C 27.3 0.2 1 143 . 18 ILE CG2 C 17.5 0.2 1 144 . 18 ILE CD1 C 14.3 0.2 1 145 . 18 ILE N N 120.9 0.2 1 146 . 19 SER H H 9.15 0.03 1 147 . 19 SER HA H 4.48 0.03 1 148 . 19 SER HB2 H 4.42 0.03 2 149 . 19 SER HB3 H 4.06 0.03 2 150 . 19 SER CA C 57.5 0.2 1 151 . 19 SER CB C 65.2 0.2 1 152 . 19 SER N N 128.0 0.2 1 153 . 20 ALA H H 9.20 0.03 1 154 . 20 ALA HA H 3.81 0.03 1 155 . 20 ALA HB H 1.51 0.03 1 156 . 20 ALA CA C 56.3 0.2 1 157 . 20 ALA CB C 18.1 0.3 1 158 . 20 ALA N N 125.2 0.2 1 159 . 21 GLU H H 8.49 0.03 1 160 . 21 GLU HA H 3.99 0.03 1 161 . 21 GLU HB2 H 2.07 0.03 2 162 . 21 GLU HB3 H 1.90 0.03 2 163 . 21 GLU HG2 H 2.23 0.03 1 164 . 21 GLU HG3 H 2.23 0.03 1 165 . 21 GLU CA C 59.6 0.2 1 166 . 21 GLU CB C 29.1 0.2 1 167 . 21 GLU CG C 36.1 0.2 1 168 . 21 GLU N N 118.3 0.2 1 169 . 22 THR H H 8.20 0.03 1 170 . 22 THR HA H 3.80 0.03 1 171 . 22 THR HB H 4.14 0.03 1 172 . 22 THR HG2 H 1.20 0.03 1 173 . 22 THR CA C 66.7 0.2 1 174 . 22 THR CB C 68.0 0.2 1 175 . 22 THR CG2 C 22.1 0.2 1 176 . 22 THR N N 119.2 0.2 1 177 . 23 ARG H H 7.17 0.03 1 178 . 23 ARG HA H 2.74 0.03 1 179 . 23 ARG HB2 H 1.19 0.03 1 180 . 23 ARG HB3 H 1.19 0.03 1 181 . 23 ARG HG2 H 0.14 0.03 1 182 . 23 ARG HG3 H 0.14 0.03 1 183 . 23 ARG HD2 H 1.98 0.03 1 184 . 23 ARG HD3 H 1.98 0.03 1 185 . 23 ARG HE H 10.73 0.03 1 186 . 23 ARG CA C 60.1 0.2 1 187 . 23 ARG CB C 29.7 0.2 1 188 . 23 ARG CG C 29.6 0.2 1 189 . 23 ARG CD C 42.5 0.2 1 190 . 23 ARG N N 121.6 0.2 1 191 . 23 ARG NE N 89.0 0.2 1 192 . 24 LYS H H 8.16 0.03 1 193 . 24 LYS HA H 3.85 0.03 1 194 . 24 LYS HB2 H 1.99 0.03 2 195 . 24 LYS HB3 H 1.94 0.06 2 196 . 24 LYS HG2 H 1.49 0.03 2 197 . 24 LYS HG3 H 1.35 0.03 2 198 . 24 LYS HD2 H 1.63 0.03 2 199 . 24 LYS HD3 H 1.57 0.03 2 200 . 24 LYS HE2 H 2.96 0.03 2 201 . 24 LYS HE3 H 2.72 0.03 2 202 . 24 LYS CA C 60.4 0.2 1 203 . 24 LYS CB C 32.2 0.2 1 204 . 24 LYS CG C 26.2 0.2 1 205 . 24 LYS CD C 29.1 0.2 1 206 . 24 LYS CE C 42.9 0.2 1 207 . 24 LYS N N 121.1 0.2 1 208 . 25 GLN H H 8.43 0.03 1 209 . 25 GLN HA H 3.82 0.03 1 210 . 25 GLN HB2 H 2.09 0.03 2 211 . 25 GLN HB3 H 2.00 0.03 2 212 . 25 GLN HG2 H 2.52 0.03 2 213 . 25 GLN HG3 H 2.34 0.03 2 214 . 25 GLN HE21 H 7.49 0.03 2 215 . 25 GLN HE22 H 6.73 0.03 2 216 . 25 GLN CA C 58.7 0.2 1 217 . 25 GLN CB C 28.0 0.2 1 218 . 25 GLN CG C 34.1 0.2 1 219 . 25 GLN N N 117.0 0.2 1 220 . 25 GLN NE2 N 111.7 0.2 1 221 . 26 THR H H 7.24 0.03 1 222 . 26 THR HA H 3.73 0.03 1 223 . 26 THR HB H 3.55 0.03 1 224 . 26 THR HG2 H 1.14 0.03 1 225 . 26 THR CA C 67.5 0.2 1 226 . 26 THR CB C 68.4 0.2 1 227 . 26 THR CG2 C 21.0 0.2 1 228 . 26 THR N N 115.2 0.2 1 229 . 27 ALA H H 7.86 0.03 1 230 . 27 ALA HA H 3.85 0.03 1 231 . 27 ALA HB H 1.36 0.03 1 232 . 27 ALA CA C 54.7 0.2 1 233 . 27 ALA CB C 19.2 0.2 1 234 . 27 ALA N N 121.0 0.2 1 235 . 28 CYS H H 7.72 0.03 1 236 . 28 CYS HA H 4.57 0.03 1 237 . 28 CYS HB2 H 3.33 0.03 2 238 . 28 CYS HB3 H 2.71 0.03 2 239 . 28 CYS CA C 53.4 0.2 1 240 . 28 CYS CB C 37.3 0.2 1 241 . 28 CYS N N 109.3 0.2 1 242 . 29 LYS H H 7.58 0.03 1 243 . 29 LYS HA H 4.43 0.03 1 244 . 29 LYS HB2 H 2.07 0.03 2 245 . 29 LYS HB3 H 1.86 0.03 2 246 . 29 LYS HG2 H 2.04 0.03 2 247 . 29 LYS HG3 H 1.67 0.03 2 248 . 29 LYS HD2 H 1.79 0.03 1 249 . 29 LYS HD3 H 1.79 0.03 1 250 . 29 LYS HE2 H 3.00 0.03 1 251 . 29 LYS HE3 H 3.00 0.03 1 252 . 29 LYS CA C 55.9 0.2 1 253 . 29 LYS CB C 31.7 0.2 1 254 . 29 LYS CG C 25.1 0.2 1 255 . 29 LYS CD C 29.8 0.2 1 256 . 29 LYS N N 126.8 0.2 1 257 . 30 PRO HA H 4.26 0.03 1 258 . 30 PRO HB2 H 2.34 0.03 2 259 . 30 PRO HB3 H 1.90 0.03 2 260 . 30 PRO HG2 H 2.13 0.03 2 261 . 30 PRO HG3 H 2.05 0.03 2 262 . 30 PRO HD2 H 3.86 0.03 1 263 . 30 PRO HD3 H 3.86 0.03 1 264 . 30 PRO CA C 64.7 0.2 1 265 . 30 PRO CB C 31.7 0.2 1 266 . 30 PRO CG C 27.6 0.2 1 267 . 30 PRO CD C 50.3 0.2 1 268 . 31 GLU H H 8.88 0.03 1 269 . 31 GLU HA H 4.07 0.03 1 270 . 31 GLU HB2 H 2.03 0.03 2 271 . 31 GLU HB3 H 1.95 0.03 2 272 . 31 GLU HG2 H 2.28 0.03 1 273 . 31 GLU HG3 H 2.28 0.03 1 274 . 31 GLU CA C 58.2 0.2 1 275 . 31 GLU CB C 29.3 0.2 1 276 . 31 GLU CG C 36.7 0.2 1 277 . 31 GLU N N 114.3 0.2 1 278 . 32 ILE H H 7.37 0.03 1 279 . 32 ILE HA H 3.92 0.03 1 280 . 32 ILE HB H 2.22 0.03 1 281 . 32 ILE HG12 H 1.62 0.03 2 282 . 32 ILE HG13 H 1.23 0.03 2 283 . 32 ILE HG2 H 0.70 0.03 1 284 . 32 ILE HD1 H 0.52 0.03 1 285 . 32 ILE CA C 57.4 0.2 1 286 . 32 ILE CB C 34.8 0.2 1 287 . 32 ILE CG1 C 26.2 0.2 1 288 . 32 ILE CG2 C 18.4 0.2 1 289 . 32 ILE CD1 C 8.20 0.2 1 290 . 32 ILE N N 121.6 0.2 1 291 . 33 ALA H H 8.75 0.03 1 292 . 33 ALA HA H 4.39 0.03 1 293 . 33 ALA HB H 1.63 0.03 1 294 . 33 ALA CA C 52.8 0.2 1 295 . 33 ALA CB C 21.7 0.2 1 296 . 33 ALA N N 131.8 0.2 1 297 . 34 TYR H H 6.96 0.03 1 298 . 34 TYR HA H 4.55 0.03 1 299 . 34 TYR HB2 H 2.59 0.06 2 300 . 34 TYR HB3 H 2.57 0.05 2 301 . 34 TYR CA C 55.0 0.2 1 302 . 34 TYR CB C 41.2 0.2 1 303 . 34 TYR N N 109.3 0.2 1 304 . 35 ALA H H 8.08 0.03 1 305 . 35 ALA HA H 5.10 0.03 1 306 . 35 ALA HB H 1.40 0.03 1 307 . 35 ALA CA C 52.4 0.2 1 308 . 35 ALA CB C 21.8 0.2 1 309 . 35 ALA N N 119.1 0.2 1 310 . 36 TYR H H 9.71 0.03 1 311 . 36 TYR HA H 5.72 0.03 1 312 . 36 TYR HB2 H 3.28 0.03 2 313 . 36 TYR HB3 H 2.98 0.03 2 314 . 36 TYR CA C 52.7 0.2 1 315 . 36 TYR CB C 44.6 0.2 1 316 . 36 TYR N N 124.8 0.2 1 317 . 37 LYS H H 8.53 0.04 1 318 . 37 LYS HA H 5.66 0.03 1 319 . 37 LYS HB2 H 2.03 0.03 2 320 . 37 LYS HB3 H 1.43 0.03 2 321 . 37 LYS HG2 H 0.79 0.03 1 322 . 37 LYS HG3 H 0.79 0.03 1 323 . 37 LYS HD2 H 0.76 0.03 2 324 . 37 LYS HD3 H 0.37 0.03 2 325 . 37 LYS HE2 H 1.39 0.03 2 326 . 37 LYS HE3 H 1.13 0.03 2 327 . 37 LYS CA C 55.4 0.2 1 328 . 37 LYS CB C 34.8 0.2 1 329 . 37 LYS CG C 25.4 0.2 1 330 . 37 LYS CD C 29.3 0.2 1 331 . 37 LYS CE C 40.7 0.2 1 332 . 37 LYS N N 122.4 0.2 1 333 . 38 VAL H H 9.35 0.03 1 334 . 38 VAL HA H 5.69 0.03 1 335 . 38 VAL HB H 2.25 0.03 1 336 . 38 VAL HG1 H 1.12 0.03 2 337 . 38 VAL HG2 H 0.90 0.03 2 338 . 38 VAL CA C 58.2 0.2 1 339 . 38 VAL CB C 35.5 0.2 1 340 . 38 VAL CG1 C 22.1 0.2 2 341 . 38 VAL CG2 C 18.4 0.2 2 342 . 38 VAL N N 118.8 0.2 1 343 . 39 SER H H 8.53 0.03 1 344 . 39 SER HA H 5.33 0.03 1 345 . 39 SER HB2 H 3.77 0.03 2 346 . 39 SER HB3 H 3.66 0.03 2 347 . 39 SER CA C 56.3 0.2 1 348 . 39 SER CB C 65.0 0.2 1 349 . 39 SER N N 113.5 0.2 1 350 . 40 ILE H H 8.46 0.03 1 351 . 40 ILE HA H 4.52 0.03 1 352 . 40 ILE HB H 2.86 0.03 1 353 . 40 ILE HG12 H 2.20 0.03 2 354 . 40 ILE HG13 H 1.29 0.03 2 355 . 40 ILE HG2 H 1.01 0.03 1 356 . 40 ILE HD1 H 0.59 0.03 1 357 . 40 ILE CA C 60.0 0.2 1 358 . 40 ILE CB C 34.8 0.2 1 359 . 40 ILE CG1 C 27.0 0.2 1 360 . 40 ILE CG2 C 17.3 0.2 1 361 . 40 ILE CD1 C 8.60 0.2 1 362 . 40 ILE N N 125.4 0.2 1 363 . 41 THR H H 9.90 0.03 1 364 . 41 THR HA H 4.61 0.03 1 365 . 41 THR HB H 4.21 0.03 1 366 . 41 THR HG2 H 1.25 0.03 1 367 . 41 THR CA C 62.9 0.2 1 368 . 41 THR CB C 69.7 0.2 1 369 . 41 THR CG2 C 22.6 0.2 1 370 . 41 THR N N 123.5 0.2 1 371 . 42 SER H H 7.83 0.03 1 372 . 42 SER HA H 4.68 0.03 1 373 . 42 SER HB2 H 3.88 0.03 1 374 . 42 SER HB3 H 3.88 0.03 1 375 . 42 SER CA C 58.5 0.2 1 376 . 42 SER CB C 65.0 0.2 1 377 . 42 SER N N 114.5 0.2 1 378 . 43 ILE H H 8.52 0.03 1 379 . 43 ILE HA H 4.68 0.03 1 380 . 43 ILE HB H 1.67 0.03 1 381 . 43 ILE HG12 H 1.52 0.03 2 382 . 43 ILE HG13 H 1.25 0.03 2 383 . 43 ILE HG2 H 0.60 0.03 1 384 . 43 ILE HD1 H 1.09 0.03 1 385 . 43 ILE CA C 61.7 0.2 1 386 . 43 ILE CB C 41.6 0.2 1 387 . 43 ILE CG1 C 27.7 0.2 1 388 . 43 ILE CG2 C 17.5 0.2 1 389 . 43 ILE CD1 C 14.9 0.2 1 390 . 43 ILE N N 123.1 0.2 1 391 . 44 THR H H 8.85 0.03 1 392 . 44 THR HA H 4.61 0.03 1 393 . 44 THR HB H 3.95 0.03 1 394 . 44 THR HG2 H 1.19 0.03 1 395 . 44 THR CA C 61.4 0.2 1 396 . 44 THR CB C 71.6 0.2 1 397 . 44 THR CG2 C 21.5 0.2 1 398 . 44 THR N N 123.5 0.2 1 399 . 45 VAL H H 8.83 0.03 1 400 . 45 VAL HA H 4.26 0.03 1 401 . 45 VAL HB H 1.99 0.03 1 402 . 45 VAL HG1 H 0.89 0.03 1 403 . 45 VAL HG2 H 0.89 0.03 1 404 . 45 VAL CA C 63.0 0.2 1 405 . 45 VAL CB C 32.4 0.2 1 406 . 45 VAL CG1 C 21.2 0.2 1 407 . 45 VAL CG2 C 21.2 0.2 1 408 . 45 VAL N N 127.6 0.2 1 409 . 46 GLU H H 8.64 0.03 1 410 . 46 GLU HA H 4.62 0.03 1 411 . 46 GLU HB2 H 2.13 0.03 1 412 . 46 GLU HB3 H 2.13 0.03 1 413 . 46 GLU HG2 H 2.16 0.03 1 414 . 46 GLU HG3 H 2.16 0.03 1 415 . 46 GLU CA C 54.8 0.2 1 416 . 46 GLU CB C 31.5 0.2 1 417 . 46 GLU CG C 36.3 0.2 1 418 . 46 GLU N N 129.5 0.2 1 419 . 47 ASN H H 8.72 0.03 1 420 . 47 ASN HA H 4.29 0.03 1 421 . 47 ASN HB2 H 2.97 0.03 1 422 . 47 ASN HB3 H 2.97 0.03 1 423 . 47 ASN HD21 H 7.78 0.03 2 424 . 47 ASN HD22 H 7.01 0.03 2 425 . 47 ASN CA C 56.2 0.2 1 426 . 47 ASN CB C 38.4 0.2 1 427 . 47 ASN N N 119.7 0.2 1 428 . 47 ASN ND2 N 114.0 0.2 1 429 . 48 VAL H H 7.84 0.04 1 430 . 48 VAL HA H 4.10 0.03 1 431 . 48 VAL HB H 2.03 0.03 1 432 . 48 VAL HG1 H 0.52 0.03 1 433 . 48 VAL HG2 H 0.52 0.03 1 434 . 48 VAL CA C 62.6 0.2 1 435 . 48 VAL CB C 32.2 0.2 1 436 . 48 VAL CG1 C 21.1 0.2 2 437 . 48 VAL CG2 C 19.7 0.2 2 438 . 48 VAL N N 115.9 0.2 1 439 . 49 PHE H H 8.04 0.03 1 440 . 49 PHE HA H 5.43 0.03 1 441 . 49 PHE HB2 H 3.01 0.03 2 442 . 49 PHE HB3 H 2.79 0.03 2 443 . 49 PHE HD1 H 7.19 0.03 1 444 . 49 PHE HD2 H 7.19 0.03 1 445 . 49 PHE CA C 56.8 0.2 1 446 . 49 PHE CB C 42.5 0.2 1 447 . 49 PHE CD1 C 131.8 0.2 1 448 . 49 PHE CD2 C 131.8 0.2 1 449 . 49 PHE N N 119.7 0.2 1 450 . 50 VAL H H 9.29 0.03 1 451 . 50 VAL HA H 4.41 0.03 1 452 . 50 VAL HB H 1.74 0.03 1 453 . 50 VAL HG1 H 0.91 0.03 2 454 . 50 VAL HG2 H 0.37 0.03 2 455 . 50 VAL CA C 61.8 0.2 1 456 . 50 VAL CB C 33.5 0.2 1 457 . 50 VAL CG1 C 22.5 0.2 2 458 . 50 VAL CG2 C 21.1 0.2 2 459 . 50 VAL N N 120.4 0.2 1 460 . 51 LYS H H 8.93 0.03 1 461 . 51 LYS HA H 5.19 0.03 1 462 . 51 LYS HB2 H 1.59 0.03 1 463 . 51 LYS HB3 H 1.59 0.03 1 464 . 51 LYS HG2 H 1.29 0.03 2 465 . 51 LYS HG3 H 1.13 0.03 2 466 . 51 LYS HD2 H 1.53 0.03 1 467 . 51 LYS HD3 H 1.53 0.03 1 468 . 51 LYS HE2 H 2.69 0.05 2 469 . 51 LYS HE3 H 2.68 0.03 2 470 . 51 LYS CA C 54.4 0.2 1 471 . 51 LYS CB C 34.8 0.2 1 472 . 51 LYS CG C 25.8 0.2 1 473 . 51 LYS CD C 29.5 0.2 1 474 . 51 LYS CE C 42.0 0.2 1 475 . 51 LYS N N 125.0 0.2 1 476 . 52 TYR H H 9.49 0.03 1 477 . 52 TYR HA H 5.36 0.03 1 478 . 52 TYR HB2 H 3.09 0.03 2 479 . 52 TYR HB3 H 2.88 0.03 2 480 . 52 TYR HD1 H 6.89 0.03 1 481 . 52 TYR HD2 H 6.89 0.03 1 482 . 52 TYR CA C 56.2 0.2 1 483 . 52 TYR CB C 40.6 0.2 1 484 . 52 TYR CD1 C 133.4 0.2 1 485 . 52 TYR CD2 C 133.4 0.2 1 486 . 52 TYR N N 124.5 0.2 1 487 . 53 LYS H H 8.69 0.03 1 488 . 53 LYS HA H 5.28 0.03 1 489 . 53 LYS HB2 H 1.86 0.03 2 490 . 53 LYS HB3 H 1.84 0.03 2 491 . 53 LYS HG2 H 1.40 0.03 1 492 . 53 LYS HG3 H 1.40 0.03 1 493 . 53 LYS HD2 H 1.65 0.03 1 494 . 53 LYS HD3 H 1.65 0.03 1 495 . 53 LYS HE2 H 2.85 0.03 1 496 . 53 LYS HE3 H 2.85 0.03 1 497 . 53 LYS CA C 55.4 0.2 1 498 . 53 LYS CB C 33.5 0.2 1 499 . 53 LYS CG C 25.0 0.2 1 500 . 53 LYS CD C 28.8 0.2 1 501 . 53 LYS CE C 42.1 0.2 1 502 . 53 LYS N N 123.7 0.2 1 503 . 54 ALA H H 9.33 0.03 1 504 . 54 ALA HA H 5.59 0.03 1 505 . 54 ALA HB H 1.38 0.03 1 506 . 54 ALA CA C 50.5 0.2 1 507 . 54 ALA CB C 24.4 0.2 1 508 . 54 ALA N N 125.8 0.2 1 509 . 55 THR H H 9.08 0.03 1 510 . 55 THR HA H 4.75 0.03 1 511 . 55 THR HB H 3.82 0.03 1 512 . 55 THR HG2 H 1.05 0.03 1 513 . 55 THR CA C 62.1 0.2 1 514 . 55 THR CB C 70.0 0.2 1 515 . 55 THR CG2 C 22.7 0.2 1 516 . 55 THR N N 118.7 0.2 1 517 . 56 LEU H H 8.86 0.03 1 518 . 56 LEU HA H 4.19 0.03 1 519 . 56 LEU HB2 H 1.80 0.03 2 520 . 56 LEU HB3 H 1.04 0.03 2 521 . 56 LEU HG H 0.91 0.03 1 522 . 56 LEU HD1 H 0.10 0.03 1 523 . 56 LEU HD2 H 0.10 0.03 1 524 . 56 LEU CA C 55.3 0.2 1 525 . 56 LEU CB C 41.3 0.2 1 526 . 56 LEU CG C 27.9 0.2 1 527 . 56 LEU CD1 C 25.1 0.2 1 528 . 56 LEU CD2 C 25.1 0.2 1 529 . 56 LEU N N 129.6 0.2 1 530 . 57 LEU H H 8.74 0.03 1 531 . 57 LEU HA H 4.30 0.03 1 532 . 57 LEU HB2 H 1.29 0.03 2 533 . 57 LEU HB3 H 1.22 0.03 2 534 . 57 LEU HG H 1.53 0.03 1 535 . 57 LEU HD1 H 0.66 0.03 2 536 . 57 LEU HD2 H 0.73 0.03 2 537 . 57 LEU CA C 56.3 0.2 1 538 . 57 LEU CB C 42.6 0.2 1 539 . 57 LEU CG C 26.7 0.2 1 540 . 57 LEU CD1 C 26.7 0.2 2 541 . 57 LEU CD2 C 22.2 0.2 2 542 . 57 LEU N N 128.4 0.2 1 543 . 58 ASP H H 7.74 0.03 1 544 . 58 ASP HA H 4.57 0.03 1 545 . 58 ASP HB2 H 2.12 0.03 1 546 . 58 ASP HB3 H 2.12 0.03 1 547 . 58 ASP CA C 53.7 0.2 1 548 . 58 ASP CB C 44.9 0.2 1 549 . 58 ASP N N 114.7 0.2 1 550 . 59 ILE H H 8.45 0.03 1 551 . 59 ILE HA H 4.16 0.03 1 552 . 59 ILE HB H 1.59 0.03 1 553 . 59 ILE HG12 H 1.04 0.03 2 554 . 59 ILE HG13 H 0.69 0.03 2 555 . 59 ILE HG2 H 0.94 0.03 1 556 . 59 ILE HD1 H 0.63 0.03 1 557 . 59 ILE CA C 61.6 0.2 1 558 . 59 ILE CB C 41.5 0.2 1 559 . 59 ILE CG1 C 28.0 0.2 1 560 . 59 ILE CG2 C 19.0 0.2 1 561 . 59 ILE CD1 C 14.5 0.2 1 562 . 59 ILE N N 120.6 0.2 1 563 . 60 TYR H H 8.59 0.03 1 564 . 60 TYR HA H 4.80 0.03 1 565 . 60 TYR HB2 H 3.20 0.03 2 566 . 60 TYR HB3 H 2.59 0.03 2 567 . 60 TYR HD1 H 6.65 0.03 1 568 . 60 TYR HD2 H 6.65 0.03 1 569 . 60 TYR HE1 H 6.70 0.03 1 570 . 60 TYR HE2 H 6.70 0.03 1 571 . 60 TYR CA C 57.8 0.2 1 572 . 60 TYR CB C 38.7 0.2 1 573 . 60 TYR CD1 C 131.8 0.2 1 574 . 60 TYR CD2 C 131.8 0.2 1 575 . 60 TYR CE1 C 118.4 0.2 1 576 . 60 TYR CE2 C 118.4 0.2 1 577 . 60 TYR N N 125.6 0.2 1 578 . 61 LYS H H 7.96 0.03 1 579 . 61 LYS HA H 4.56 0.03 1 580 . 61 LYS HB2 H 1.53 0.03 2 581 . 61 LYS HB3 H 1.54 0.03 2 582 . 61 LYS HD2 H 1.53 0.03 2 583 . 61 LYS HD3 H 1.19 0.03 2 584 . 61 LYS HE2 H 2.90 0.03 1 585 . 61 LYS HE3 H 2.90 0.03 1 586 . 61 LYS CA C 56.6 0.2 1 587 . 61 LYS CB C 36.9 0.2 1 588 . 61 LYS CD C 30.2 0.2 1 589 . 61 LYS CE C 42.4 0.2 1 590 . 61 LYS N N 119.3 0.2 1 591 . 62 THR H H 8.58 0.03 1 592 . 62 THR HA H 4.82 0.03 1 593 . 62 THR HB H 4.31 0.03 1 594 . 62 THR HG2 H 1.37 0.03 1 595 . 62 THR CA C 61.2 0.2 1 596 . 62 THR CB C 71.2 0.2 1 597 . 62 THR CG2 C 21.8 0.2 1 598 . 62 THR N N 119.8 0.2 1 599 . 63 GLY H H 8.39 0.04 1 600 . 63 GLY HA2 H 4.67 0.03 2 601 . 63 GLY HA3 H 3.86 0.03 2 602 . 63 GLY CA C 44.8 0.3 1 603 . 63 GLY N N 113.5 0.2 1 604 . 64 GLU H H 10.01 0.06 1 605 . 64 GLU HA H 4.05 0.03 1 606 . 64 GLU HB2 H 1.95 0.03 2 607 . 64 GLU HB3 H 1.84 0.03 2 608 . 64 GLU HG2 H 2.30 0.03 2 609 . 64 GLU HG3 H 2.19 0.03 2 610 . 64 GLU CA C 58.2 0.2 1 611 . 64 GLU CB C 29.7 0.2 1 612 . 64 GLU CG C 36.5 0.2 1 613 . 64 GLU N N 126.0 0.2 1 614 . 65 ALA H H 7.96 0.03 1 615 . 65 ALA HA H 3.63 0.03 1 616 . 65 ALA HB H 0.65 0.03 1 617 . 65 ALA CA C 52.2 0.2 1 618 . 65 ALA CB C 17.9 0.2 1 619 . 65 ALA N N 122.3 0.2 1 620 . 66 VAL H H 7.03 0.04 1 621 . 66 VAL HA H 3.76 0.03 1 622 . 66 VAL HB H 1.97 0.03 1 623 . 66 VAL HG1 H 1.01 0.03 2 624 . 66 VAL HG2 H 0.88 0.03 2 625 . 66 VAL CA C 63.3 0.2 1 626 . 66 VAL CB C 32.1 0.2 1 627 . 66 VAL CG1 C 21.3 0.2 2 628 . 66 VAL CG2 C 21.0 0.2 2 629 . 66 VAL N N 122.9 0.2 1 630 . 67 ALA H H 8.14 0.03 1 631 . 67 ALA HA H 4.43 0.03 1 632 . 67 ALA HB H 1.09 0.03 1 633 . 67 ALA CA C 51.0 0.2 1 634 . 67 ALA CB C 21.1 0.2 1 635 . 67 ALA N N 131.6 0.2 1 636 . 68 GLU H H 7.85 0.03 1 637 . 68 GLU HA H 4.44 0.03 1 638 . 68 GLU HB2 H 1.91 0.03 2 639 . 68 GLU HB3 H 1.74 0.03 2 640 . 68 GLU HG2 H 2.16 0.03 1 641 . 68 GLU HG3 H 2.16 0.03 1 642 . 68 GLU CA C 54.4 0.2 1 643 . 68 GLU CB C 32.1 0.2 1 644 . 68 GLU CG C 36.0 0.2 1 645 . 68 GLU N N 119.9 0.2 1 646 . 69 LYS H H 8.89 0.03 1 647 . 69 LYS HA H 3.55 0.03 1 648 . 69 LYS HB2 H 1.61 0.03 1 649 . 69 LYS HB3 H 1.61 0.03 1 650 . 69 LYS HG2 H 1.31 0.03 2 651 . 69 LYS HG3 H 1.19 0.03 2 652 . 69 LYS HD2 H 1.68 0.03 1 653 . 69 LYS HD3 H 1.68 0.03 1 654 . 69 LYS HE2 H 3.02 0.03 1 655 . 69 LYS HE3 H 3.02 0.03 1 656 . 69 LYS CA C 59.1 0.2 1 657 . 69 LYS CB C 32.3 0.2 1 658 . 69 LYS CG C 25.6 0.2 1 659 . 69 LYS CD C 29.5 0.2 1 660 . 69 LYS CE C 42.0 0.2 1 661 . 69 LYS N N 127.0 0.2 1 662 . 70 ASP H H 9.38 0.03 1 663 . 70 ASP HA H 4.16 0.03 1 664 . 70 ASP HB2 H 2.99 0.03 2 665 . 70 ASP HB3 H 2.83 0.03 2 666 . 70 ASP CA C 57.1 0.2 1 667 . 70 ASP CB C 39.1 0.2 1 668 . 70 ASP N N 118.9 0.2 1 669 . 71 SER H H 7.67 0.03 1 670 . 71 SER HA H 4.53 0.03 1 671 . 71 SER HB2 H 4.00 0.03 2 672 . 71 SER HB3 H 3.82 0.03 2 673 . 71 SER CA C 58.1 0.2 1 674 . 71 SER CB C 65.3 0.2 1 675 . 71 SER N N 114.3 0.2 1 676 . 72 GLU H H 8.28 0.03 1 677 . 72 GLU HA H 5.29 0.03 1 678 . 72 GLU HB2 H 1.92 0.03 1 679 . 72 GLU HB3 H 1.92 0.03 1 680 . 72 GLU HG2 H 2.23 0.03 2 681 . 72 GLU HG3 H 1.98 0.03 2 682 . 72 GLU CA C 55.2 0.2 1 683 . 72 GLU CB C 32.1 0.2 1 684 . 72 GLU CG C 37.6 0.2 1 685 . 72 GLU N N 119.6 0.2 1 686 . 73 ILE H H 9.35 0.03 1 687 . 73 ILE HA H 4.79 0.03 1 688 . 73 ILE HB H 1.70 0.03 1 689 . 73 ILE HG12 H 0.95 0.03 2 690 . 73 ILE HG13 H 0.80 0.03 2 691 . 73 ILE HG2 H 0.65 0.03 1 692 . 73 ILE HD1 H 0.18 0.03 1 693 . 73 ILE CA C 59.5 0.2 1 694 . 73 ILE CB C 41.0 0.2 1 695 . 73 ILE CG1 C 25.1 0.2 1 696 . 73 ILE CG2 C 17.9 0.2 1 697 . 73 ILE CD1 C 14.5 0.2 1 698 . 73 ILE N N 123.1 0.2 1 699 . 74 THR H H 8.32 0.03 1 700 . 74 THR HA H 5.37 0.03 1 701 . 74 THR HB H 3.96 0.03 1 702 . 74 THR HG2 H 1.07 0.03 1 703 . 74 THR CA C 61.9 0.2 1 704 . 74 THR CB C 71.2 0.2 1 705 . 74 THR CG2 C 21.4 0.2 1 706 . 74 THR N N 116.4 0.2 1 707 . 75 PHE H H 9.40 0.03 1 708 . 75 PHE HA H 5.98 0.03 1 709 . 75 PHE HB2 H 3.20 0.03 2 710 . 75 PHE HB3 H 3.01 0.03 2 711 . 75 PHE HD1 H 7.15 0.03 1 712 . 75 PHE HD2 H 7.15 0.03 1 713 . 75 PHE HE1 H 7.15 0.03 1 714 . 75 PHE HE2 H 7.15 0.03 1 715 . 75 PHE HZ H 6.85 0.03 1 716 . 75 PHE CA C 56.2 0.2 1 717 . 75 PHE CB C 42.7 0.2 1 718 . 75 PHE CD1 C 132.5 0.2 1 719 . 75 PHE CD2 C 132.5 0.2 1 720 . 75 PHE CE1 C 130.6 0.2 1 721 . 75 PHE CE2 C 130.6 0.2 1 722 . 75 PHE CZ C 129.0 0.2 1 723 . 75 PHE N N 125.0 0.2 1 724 . 76 ILE H H 8.60 0.03 1 725 . 76 ILE HA H 5.77 0.03 1 726 . 76 ILE HB H 1.44 0.03 1 727 . 76 ILE HG12 H 1.49 0.03 2 728 . 76 ILE HG13 H 0.83 0.03 2 729 . 76 ILE HG2 H 0.68 0.03 1 730 . 76 ILE HD1 H 0.22 0.03 1 731 . 76 ILE CA C 59.1 0.2 1 732 . 76 ILE CB C 42.9 0.2 1 733 . 76 ILE CG1 C 27.7 0.2 1 734 . 76 ILE CG2 C 16.9 0.2 1 735 . 76 ILE CD1 C 13.0 0.2 1 736 . 76 ILE N N 117.1 0.2 1 737 . 77 LYS H H 9.07 0.03 1 738 . 77 LYS HA H 5.15 0.03 1 739 . 77 LYS HB2 H 2.03 0.03 1 740 . 77 LYS HB3 H 2.03 0.03 1 741 . 77 LYS HG2 H 1.82 0.03 1 742 . 77 LYS HG3 H 1.82 0.03 1 743 . 77 LYS CA C 54.2 0.2 1 744 . 77 LYS CB C 38.1 0.2 1 745 . 77 LYS CG C 24.1 0.2 1 746 . 77 LYS CD C 29.5 0.2 1 747 . 77 LYS N N 123.9 0.2 1 748 . 78 LYS H H 8.96 0.05 1 749 . 78 LYS HA H 4.65 0.03 1 750 . 78 LYS HB2 H 2.03 0.03 1 751 . 78 LYS HB3 H 2.03 0.03 1 752 . 78 LYS HG2 H 1.76 0.03 2 753 . 78 LYS HG3 H 1.48 0.03 2 754 . 78 LYS HD2 H 1.68 0.03 1 755 . 78 LYS HD3 H 1.68 0.03 1 756 . 78 LYS HE2 H 3.01 0.03 1 757 . 78 LYS HE3 H 3.01 0.03 1 758 . 78 LYS CA C 58.1 0.3 1 759 . 78 LYS CB C 33.0 0.2 1 760 . 78 LYS CG C 26.0 0.2 1 761 . 78 LYS CD C 29.4 0.2 1 762 . 78 LYS CE C 42.1 0.2 1 763 . 78 LYS N N 125.4 0.2 1 764 . 79 VAL H H 8.45 0.03 1 765 . 79 VAL HA H 3.79 0.03 1 766 . 79 VAL HB H 1.84 0.03 1 767 . 79 VAL HG1 H 0.88 0.03 1 768 . 79 VAL HG2 H 0.88 0.03 1 769 . 79 VAL CA C 64.6 0.2 1 770 . 79 VAL CB C 32.2 0.2 1 771 . 79 VAL CG1 C 21.3 0.2 2 772 . 79 VAL CG2 C 20.8 0.2 2 773 . 79 VAL N N 121.8 0.2 1 774 . 80 THR H H 7.11 0.03 1 775 . 80 THR HA H 4.10 0.03 1 776 . 80 THR HB H 4.42 0.03 1 777 . 80 THR HG2 H 1.25 0.03 1 778 . 80 THR CA C 62.2 0.2 1 779 . 80 THR CB C 68.3 0.2 1 780 . 80 THR CG2 C 22.7 0.2 1 781 . 80 THR N N 107.3 0.2 1 782 . 81 CYS H H 7.74 0.03 1 783 . 81 CYS HA H 5.15 0.03 1 784 . 81 CYS HB2 H 3.55 0.03 2 785 . 81 CYS HB3 H 3.01 0.03 2 786 . 81 CYS CA C 52.6 0.2 1 787 . 81 CYS CB C 33.7 0.2 1 788 . 81 CYS N N 121.8 0.2 1 789 . 82 THR H H 8.04 0.03 1 790 . 82 THR HA H 4.26 0.03 1 791 . 82 THR HB H 4.45 0.03 1 792 . 82 THR HG2 H 1.19 0.03 1 793 . 82 THR CA C 62.7 0.2 1 794 . 82 THR CB C 68.8 0.2 1 795 . 82 THR CG2 C 21.9 0.2 1 796 . 82 THR N N 114.9 0.2 1 797 . 83 ASN H H 8.62 0.03 1 798 . 83 ASN HA H 4.83 0.03 1 799 . 83 ASN HB2 H 3.01 0.03 2 800 . 83 ASN HB3 H 2.73 0.03 2 801 . 83 ASN HD21 H 7.61 0.03 2 802 . 83 ASN HD22 H 6.90 0.03 2 803 . 83 ASN CA C 53.8 0.2 1 804 . 83 ASN CB C 38.6 0.2 1 805 . 83 ASN N N 119.3 0.2 1 806 . 83 ASN ND2 N 113.5 0.2 1 807 . 84 ALA H H 7.53 0.04 1 808 . 84 ALA HA H 4.20 0.03 1 809 . 84 ALA HB H 0.91 0.03 1 810 . 84 ALA CA C 51.2 0.2 1 811 . 84 ALA CB C 17.7 0.2 1 812 . 84 ALA N N 122.9 0.2 1 813 . 85 GLU H H 7.95 0.03 1 814 . 85 GLU HA H 4.31 0.03 1 815 . 85 GLU HB2 H 1.87 0.03 2 816 . 85 GLU HB3 H 1.78 0.03 2 817 . 85 GLU HG2 H 2.09 0.03 2 818 . 85 GLU HG3 H 2.07 0.03 2 819 . 85 GLU CA C 54.9 0.2 1 820 . 85 GLU CB C 29.7 0.2 1 821 . 85 GLU CG C 35.8 0.2 1 822 . 85 GLU N N 123.5 0.2 1 823 . 86 LEU H H 6.47 0.03 1 824 . 86 LEU HA H 3.95 0.03 1 825 . 86 LEU HB2 H 0.80 0.03 2 826 . 86 LEU HB3 H 0.60 0.03 2 827 . 86 LEU HG H 0.50 0.03 1 828 . 86 LEU HD1 H -0.27 0.03 2 829 . 86 LEU HD2 H -0.43 0.03 2 830 . 86 LEU CA C 54.8 0.2 1 831 . 86 LEU CB C 41.0 0.2 1 832 . 86 LEU CG C 26.9 0.2 1 833 . 86 LEU CD1 C 24.3 0.2 2 834 . 86 LEU CD2 C 22.6 0.2 2 835 . 86 LEU N N 123.5 0.2 1 836 . 87 VAL H H 7.91 0.03 1 837 . 87 VAL HA H 4.03 0.03 1 838 . 87 VAL HB H 1.78 0.03 1 839 . 87 VAL HG1 H 0.86 0.03 2 840 . 87 VAL HG2 H 0.98 0.03 2 841 . 87 VAL CA C 61.8 0.2 1 842 . 87 VAL CB C 34.4 0.2 1 843 . 87 VAL CG1 C 21.1 0.2 2 844 . 87 VAL CG2 C 20.5 0.2 2 845 . 87 VAL N N 122.0 0.2 1 846 . 88 LYS H H 8.55 0.03 1 847 . 88 LYS HA H 3.72 0.03 1 848 . 88 LYS HB2 H 1.82 0.03 2 849 . 88 LYS HB3 H 1.69 0.03 2 850 . 88 LYS HG2 H 1.32 0.03 1 851 . 88 LYS HG3 H 1.32 0.03 1 852 . 88 LYS HD2 H 1.81 0.03 1 853 . 88 LYS HD3 H 1.81 0.03 1 854 . 88 LYS HE2 H 3.11 0.03 1 855 . 88 LYS HE3 H 3.11 0.03 1 856 . 88 LYS CA C 58.9 0.2 1 857 . 88 LYS CB C 32.4 0.2 1 858 . 88 LYS CG C 24.9 0.2 1 859 . 88 LYS CD C 29.8 0.2 1 860 . 88 LYS CE C 41.9 0.2 1 861 . 88 LYS N N 126.8 0.2 1 862 . 89 GLY H H 9.17 0.03 1 863 . 89 GLY HA2 H 4.39 0.03 2 864 . 89 GLY HA3 H 3.82 0.03 2 865 . 89 GLY CA C 45.2 0.2 1 866 . 89 GLY N N 115.1 0.2 1 867 . 90 ARG H H 8.04 0.03 1 868 . 90 ARG HA H 4.59 0.03 1 869 . 90 ARG HB2 H 2.23 0.03 1 870 . 90 ARG HB3 H 2.23 0.03 1 871 . 90 ARG HG2 H 1.60 0.03 2 872 . 90 ARG HG3 H 1.75 0.03 2 873 . 90 ARG HD2 H 2.88 0.03 2 874 . 90 ARG HD3 H 2.55 0.03 2 875 . 90 ARG CA C 56.7 0.2 1 876 . 90 ARG CB C 33.1 0.2 1 877 . 90 ARG CG C 29.3 0.2 1 878 . 90 ARG CD C 44.0 0.2 1 879 . 90 ARG N N 120.5 0.2 1 880 . 91 GLN H H 8.49 0.03 1 881 . 91 GLN HA H 5.76 0.03 1 882 . 91 GLN HB2 H 2.58 0.03 2 883 . 91 GLN HB3 H 1.76 0.03 2 884 . 91 GLN HG2 H 2.57 0.03 2 885 . 91 GLN HG3 H 1.95 0.03 2 886 . 91 GLN HE21 H 6.88 0.03 2 887 . 91 GLN HE22 H 6.61 0.03 2 888 . 91 GLN CA C 53.2 0.2 1 889 . 91 GLN CB C 30.9 0.3 1 890 . 91 GLN CG C 35.0 0.2 1 891 . 91 GLN N N 117.7 0.3 1 892 . 91 GLN NE2 N 108.4 0.2 1 893 . 92 TYR H H 8.79 0.03 1 894 . 92 TYR HA H 5.49 0.03 1 895 . 92 TYR HB2 H 2.87 0.03 2 896 . 92 TYR HB3 H 2.22 0.03 2 897 . 92 TYR HD1 H 6.74 0.03 1 898 . 92 TYR HD2 H 6.74 0.03 1 899 . 92 TYR CA C 57.3 0.2 1 900 . 92 TYR CB C 43.9 0.2 1 901 . 92 TYR CD1 C 133.2 0.8 1 902 . 92 TYR CD2 C 133.2 0.8 1 903 . 92 TYR N N 115.3 0.2 1 904 . 93 LEU H H 9.89 0.03 1 905 . 93 LEU HA H 5.64 0.03 1 906 . 93 LEU HB2 H 2.36 0.03 2 907 . 93 LEU HB3 H 2.04 0.03 2 908 . 93 LEU HG H 1.63 0.03 1 909 . 93 LEU HD1 H 0.74 0.03 2 910 . 93 LEU HD2 H 1.28 0.03 2 911 . 93 LEU CA C 54.6 0.2 1 912 . 93 LEU CB C 43.9 0.2 1 913 . 93 LEU CG C 28.7 0.2 1 914 . 93 LEU CD1 C 26.5 0.2 2 915 . 93 LEU CD2 C 22.8 0.2 2 916 . 93 LEU N N 124.5 0.2 1 917 . 94 ILE H H 9.42 0.03 1 918 . 94 ILE HA H 5.74 0.03 1 919 . 94 ILE HB H 1.65 0.03 1 920 . 94 ILE HG12 H 1.51 0.03 2 921 . 94 ILE HG13 H 1.01 0.03 2 922 . 94 ILE HG2 H 0.86 0.03 1 923 . 94 ILE HD1 H -0.04 0.04 1 924 . 94 ILE CA C 60.1 0.2 1 925 . 94 ILE CB C 41.0 0.2 1 926 . 94 ILE CG1 C 28.2 0.2 1 927 . 94 ILE CG2 C 17.5 0.2 1 928 . 94 ILE CD1 C 12.4 0.2 1 929 . 94 ILE N N 127.1 0.2 1 930 . 95 MET H H 8.99 0.03 1 931 . 95 MET HA H 5.00 0.03 1 932 . 95 MET HB2 H 2.09 0.03 1 933 . 95 MET HB3 H 2.09 0.03 1 934 . 95 MET HG2 H 2.43 0.03 2 935 . 95 MET HG3 H 2.33 0.03 2 936 . 95 MET HE H 0.96 0.03 1 937 . 95 MET CA C 53.6 0.2 1 938 . 95 MET CB C 35.5 0.2 1 939 . 95 MET CG C 31.1 0.2 1 940 . 95 MET CE C 15.7 0.2 1 941 . 95 MET N N 124.7 0.2 1 942 . 96 GLY H H 5.62 0.04 1 943 . 96 GLY HA2 H 4.53 0.03 2 944 . 96 GLY HA3 H 3.93 0.03 2 945 . 96 GLY CA C 45.2 0.3 1 946 . 96 GLY N N 107.6 0.2 1 947 . 97 LYS H H 8.60 0.04 1 948 . 97 LYS HA H 4.66 0.03 1 949 . 97 LYS HB2 H 1.96 0.03 1 950 . 97 LYS HB3 H 1.96 0.03 1 951 . 97 LYS HG2 H 1.64 0.03 1 952 . 97 LYS HG3 H 1.64 0.03 1 953 . 97 LYS HD2 H 1.83 0.03 1 954 . 97 LYS HD3 H 1.83 0.03 1 955 . 97 LYS HE2 H 3.06 0.03 1 956 . 97 LYS HE3 H 3.06 0.03 1 957 . 97 LYS CA C 56.5 0.2 1 958 . 97 LYS CB C 34.6 0.2 1 959 . 97 LYS CG C 25.0 0.2 1 960 . 97 LYS CD C 29.8 0.2 1 961 . 97 LYS CE C 42.2 0.2 1 962 . 97 LYS N N 119.1 0.2 1 963 . 98 GLU H H 8.30 0.03 1 964 . 98 GLU HA H 4.00 0.03 1 965 . 98 GLU HB2 H 2.05 0.03 2 966 . 98 GLU HB3 H 1.95 0.03 2 967 . 98 GLU HG2 H 2.57 0.03 2 968 . 98 GLU HG3 H 2.36 0.03 2 969 . 98 GLU CA C 56.7 0.2 1 970 . 98 GLU CB C 31.0 0.2 1 971 . 98 GLU CG C 35.7 0.2 1 972 . 98 GLU N N 118.9 0.2 1 973 . 99 ALA H H 7.57 0.06 1 974 . 99 ALA HA H 4.03 0.03 1 975 . 99 ALA HB H 0.47 0.03 1 976 . 99 ALA CA C 52.6 0.2 1 977 . 99 ALA CB C 18.5 0.2 1 978 . 99 ALA N N 124.7 0.2 1 979 . 100 LEU H H 8.75 0.03 1 980 . 100 LEU HA H 4.42 0.03 1 981 . 100 LEU HB2 H 1.45 0.03 1 982 . 100 LEU HB3 H 1.45 0.03 1 983 . 100 LEU HG H 1.64 0.03 1 984 . 100 LEU HD1 H 0.86 0.03 1 985 . 100 LEU HD2 H 0.86 0.03 1 986 . 100 LEU CA C 54.2 0.2 1 987 . 100 LEU CB C 42.9 0.2 1 988 . 100 LEU CG C 27.5 0.2 1 989 . 100 LEU CD1 C 24.8 0.2 2 990 . 100 LEU CD2 C 23.3 0.2 2 991 . 100 LEU N N 121.9 0.2 1 992 . 101 GLN H H 8.46 0.03 1 993 . 101 GLN HA H 4.60 0.03 1 994 . 101 GLN HB2 H 1.71 0.03 1 995 . 101 GLN HB3 H 1.71 0.03 1 996 . 101 GLN HG2 H 1.87 0.03 2 997 . 101 GLN HG3 H 1.72 0.03 2 998 . 101 GLN HE21 H 6.76 0.03 2 999 . 101 GLN HE22 H 6.45 0.03 2 1000 . 101 GLN CA C 55.0 0.2 1 1001 . 101 GLN CB C 30.3 0.2 1 1002 . 101 GLN CG C 34.5 0.2 1 1003 . 101 GLN N N 121.9 0.2 1 1004 . 101 GLN NE2 N 111.1 0.2 1 1005 . 102 ILE H H 8.85 0.03 1 1006 . 102 ILE HA H 4.41 0.03 1 1007 . 102 ILE HB H 1.69 0.03 1 1008 . 102 ILE HG12 H 1.27 0.03 2 1009 . 102 ILE HG13 H 1.04 0.03 2 1010 . 102 ILE HG2 H 0.74 0.03 1 1011 . 102 ILE HD1 H 0.71 0.03 1 1012 . 102 ILE CA C 59.3 0.2 1 1013 . 102 ILE CB C 40.1 0.2 1 1014 . 102 ILE CG1 C 26.7 0.2 1 1015 . 102 ILE CG2 C 17.5 0.2 1 1016 . 102 ILE CD1 C 12.7 0.2 1 1017 . 102 ILE N N 125.3 0.2 1 1018 . 103 LYS H H 8.56 0.03 1 1019 . 103 LYS HA H 4.26 0.03 1 1020 . 103 LYS HB2 H 1.69 0.03 2 1021 . 103 LYS HB3 H 1.54 0.03 2 1022 . 103 LYS HG2 H 1.14 0.03 1 1023 . 103 LYS HG3 H 1.14 0.03 1 1024 . 103 LYS HD2 H 1.52 0.03 1 1025 . 103 LYS HD3 H 1.52 0.03 1 1026 . 103 LYS HE2 H 2.83 0.03 1 1027 . 103 LYS HE3 H 2.83 0.03 1 1028 . 103 LYS CA C 56.8 0.2 1 1029 . 103 LYS CB C 33.0 0.2 1 1030 . 103 LYS CG C 24.8 0.2 1 1031 . 103 LYS CD C 29.2 0.2 1 1032 . 103 LYS CE C 42.1 0.2 1 1033 . 103 LYS N N 126.7 0.2 1 1034 . 104 TYR H H 8.26 0.03 1 1035 . 104 TYR HA H 4.52 0.03 1 1036 . 104 TYR HB2 H 2.66 0.03 1 1037 . 104 TYR HB3 H 2.66 0.03 1 1038 . 104 TYR HD1 H 6.98 0.03 1 1039 . 104 TYR HD2 H 6.98 0.03 1 1040 . 104 TYR HE1 H 6.73 0.03 1 1041 . 104 TYR HE2 H 6.73 0.03 1 1042 . 104 TYR CA C 57.2 0.2 1 1043 . 104 TYR CB C 39.9 0.2 1 1044 . 104 TYR CD1 C 132.9 0.2 1 1045 . 104 TYR CD2 C 132.9 0.2 1 1046 . 104 TYR CE1 C 118.3 0.2 1 1047 . 104 TYR CE2 C 118.3 0.2 1 1048 . 104 TYR N N 126.1 0.2 1 1049 . 105 ASN H H 8.85 0.05 1 1050 . 105 ASN HA H 4.04 0.03 1 1051 . 105 ASN HB2 H 2.77 0.03 2 1052 . 105 ASN HB3 H 2.60 0.03 2 1053 . 105 ASN HD21 H 7.18 0.03 2 1054 . 105 ASN HD22 H 6.70 0.03 2 1055 . 105 ASN CA C 55.0 0.2 1 1056 . 105 ASN CB C 36.9 0.2 1 1057 . 105 ASN N N 124.8 0.3 1 1058 . 105 ASN ND2 N 112.9 0.2 1 1059 . 106 ALA H H 8.21 0.03 1 1060 . 106 ALA HA H 4.27 0.03 1 1061 . 106 ALA HB H 1.37 0.03 1 1062 . 106 ALA CA C 52.8 0.2 1 1063 . 106 ALA CB C 18.5 0.2 1 1064 . 106 ALA N N 123.1 0.2 1 1065 . 107 SER H H 7.90 0.03 1 1066 . 107 SER HA H 4.53 0.03 1 1067 . 107 SER HB2 H 3.82 0.03 1 1068 . 107 SER HB3 H 3.82 0.03 1 1069 . 107 SER CA C 56.7 0.2 1 1070 . 107 SER CB C 64.7 0.2 1 1071 . 107 SER N N 114.8 0.2 1 1072 . 108 PHE H H 8.42 0.03 1 1073 . 108 PHE HA H 5.29 0.03 1 1074 . 108 PHE HB2 H 2.70 0.03 1 1075 . 108 PHE HB3 H 2.70 0.03 1 1076 . 108 PHE HD1 H 6.92 0.03 1 1077 . 108 PHE HD2 H 6.92 0.03 1 1078 . 108 PHE CA C 57.0 0.2 1 1079 . 108 PHE CB C 41.9 0.2 1 1080 . 108 PHE N N 119.7 0.2 1 1081 . 109 ARG H H 8.93 0.03 1 1082 . 109 ARG HA H 4.52 0.03 1 1083 . 109 ARG HB2 H 1.75 0.03 2 1084 . 109 ARG HB3 H 1.53 0.03 2 1085 . 109 ARG HG2 H 1.42 0.03 1 1086 . 109 ARG HG3 H 1.42 0.03 1 1087 . 109 ARG HD2 H 2.96 0.03 2 1088 . 109 ARG HD3 H 2.81 0.03 2 1089 . 109 ARG CA C 54.4 0.2 1 1090 . 109 ARG CB C 33.5 0.2 1 1091 . 109 ARG CG C 27.0 0.2 1 1092 . 109 ARG CD C 43.2 0.2 1 1093 . 109 ARG N N 120.8 0.2 1 1094 . 110 TYR H H 8.45 0.03 1 1095 . 110 TYR HA H 5.43 0.03 1 1096 . 110 TYR HB2 H 2.69 0.03 2 1097 . 110 TYR HB3 H 2.37 0.03 2 1098 . 110 TYR HD1 H 6.99 0.03 1 1099 . 110 TYR HD2 H 6.99 0.03 1 1100 . 110 TYR HE1 H 6.80 0.03 1 1101 . 110 TYR HE2 H 6.80 0.03 1 1102 . 110 TYR CA C 57.2 0.2 1 1103 . 110 TYR CB C 40.6 0.2 1 1104 . 110 TYR CD1 C 133.4 0.2 1 1105 . 110 TYR CD2 C 133.4 0.2 1 1106 . 110 TYR CE1 C 118.2 0.2 1 1107 . 110 TYR CE2 C 118.2 0.2 1 1108 . 110 TYR N N 118.9 0.2 1 1109 . 111 ILE H H 8.77 0.03 1 1110 . 111 ILE HA H 4.59 0.03 1 1111 . 111 ILE HB H 1.53 0.03 1 1112 . 111 ILE HG12 H 1.37 0.03 2 1113 . 111 ILE HG13 H 0.98 0.03 2 1114 . 111 ILE HG2 H 0.70 0.03 1 1115 . 111 ILE HD1 H 0.68 0.03 1 1116 . 111 ILE CA C 59.8 0.2 1 1117 . 111 ILE CB C 41.4 0.2 1 1118 . 111 ILE CG1 C 26.7 0.2 1 1119 . 111 ILE CG2 C 18.1 0.2 1 1120 . 111 ILE CD1 C 13.1 0.2 1 1121 . 111 ILE N N 121.8 0.2 1 1122 . 112 TYR H H 8.91 0.03 1 1123 . 112 TYR HA H 4.75 0.03 1 1124 . 112 TYR HB2 H 2.97 0.03 2 1125 . 112 TYR HB3 H 2.63 0.03 2 1126 . 112 TYR HD1 H 6.85 0.03 1 1127 . 112 TYR HD2 H 6.85 0.03 1 1128 . 112 TYR HE1 H 6.19 0.03 1 1129 . 112 TYR HE2 H 6.19 0.03 1 1130 . 112 TYR CA C 56.7 0.2 1 1131 . 112 TYR CB C 40.4 0.2 1 1132 . 112 TYR CD1 C 133.7 0.2 1 1133 . 112 TYR CD2 C 133.7 0.2 1 1134 . 112 TYR CE1 C 117.8 0.2 1 1135 . 112 TYR CE2 C 117.8 0.2 1 1136 . 112 TYR N N 127.1 0.2 1 1137 . 113 PRO HA H 4.97 0.03 1 1138 . 113 PRO HB2 H 2.08 0.03 1 1139 . 113 PRO HB3 H 2.08 0.03 1 1140 . 113 PRO HG2 H 2.23 0.03 2 1141 . 113 PRO HG3 H 1.98 0.03 2 1142 . 113 PRO HD2 H 4.14 0.03 2 1143 . 113 PRO HD3 H 4.04 0.03 2 1144 . 113 PRO CA C 62.7 0.2 1 1145 . 113 PRO CB C 32.8 0.2 1 1146 . 113 PRO CG C 27.8 0.2 1 1147 . 113 PRO CD C 51.8 0.2 1 1148 . 114 LEU H H 8.98 0.05 1 1149 . 114 LEU HA H 5.01 0.03 1 1150 . 114 LEU HB2 H 1.46 0.03 2 1151 . 114 LEU HB3 H 1.43 0.04 2 1152 . 114 LEU HG H 1.98 0.03 1 1153 . 114 LEU HD1 H 0.70 0.03 2 1154 . 114 LEU HD2 H 0.79 0.03 2 1155 . 114 LEU CA C 53.5 0.2 1 1156 . 114 LEU CB C 41.1 0.2 1 1157 . 114 LEU CG C 26.9 0.2 1 1158 . 114 LEU CD1 C 26.2 0.2 2 1159 . 114 LEU CD2 C 24.2 0.2 2 1160 . 114 LEU N N 125.5 0.2 1 1161 . 115 ASP H H 9.09 0.05 1 1162 . 115 ASP HA H 4.91 0.03 1 1163 . 115 ASP HB2 H 3.26 0.03 2 1164 . 115 ASP HB3 H 2.73 0.03 2 1165 . 115 ASP CA C 53.6 0.2 1 1166 . 115 ASP CB C 42.2 0.2 1 1167 . 115 ASP N N 126.6 0.3 1 1168 . 116 SER H H 7.88 0.11 1 1169 . 116 SER HA H 3.99 0.03 1 1170 . 116 SER HB2 H 4.03 0.03 2 1171 . 116 SER HB3 H 3.82 0.03 2 1172 . 116 SER CA C 61.1 0.2 1 1173 . 116 SER CB C 63.2 0.2 1 1174 . 116 SER N N 111.6 0.3 1 1175 . 117 LEU H H 8.39 0.07 1 1176 . 117 LEU HA H 4.42 0.03 1 1177 . 117 LEU HB2 H 1.73 0.03 1 1178 . 117 LEU HB3 H 1.73 0.03 1 1179 . 117 LEU HG H 1.77 0.03 1 1180 . 117 LEU HD1 H 0.93 0.03 2 1181 . 117 LEU HD2 H 0.83 0.03 2 1182 . 117 LEU CA C 55.2 0.2 1 1183 . 117 LEU CB C 42.8 0.2 1 1184 . 117 LEU CG C 27.7 0.2 1 1185 . 117 LEU CD1 C 24.9 0.2 2 1186 . 117 LEU CD2 C 24.6 0.2 2 1187 . 117 LEU N N 123.7 0.2 1 1188 . 118 THR H H 7.70 0.03 1 1189 . 118 THR HA H 4.57 0.03 1 1190 . 118 THR HB H 3.99 0.03 1 1191 . 118 THR HG2 H 1.35 0.03 1 1192 . 118 THR CA C 63.9 0.2 1 1193 . 118 THR CB C 70.0 0.2 1 1194 . 118 THR CG2 C 24.9 0.2 1 1195 . 118 THR N N 113.5 0.2 1 1196 . 119 TRP H H 9.65 0.03 1 1197 . 119 TRP HA H 4.62 0.03 1 1198 . 119 TRP HB2 H 3.20 0.03 1 1199 . 119 TRP HB3 H 3.20 0.03 1 1200 . 119 TRP HD1 H 6.79 0.03 1 1201 . 119 TRP HE1 H 10.83 0.03 1 1202 . 119 TRP HE3 H 7.65 0.03 1 1203 . 119 TRP HZ2 H 7.20 0.03 1 1204 . 119 TRP HZ3 H 6.94 0.03 1 1205 . 119 TRP HH2 H 6.90 0.03 1 1206 . 119 TRP CA C 56.9 0.2 1 1207 . 119 TRP CB C 30.2 0.2 1 1208 . 119 TRP CD1 C 124.8 0.2 1 1209 . 119 TRP CE3 C 121.0 0.2 1 1210 . 119 TRP CZ2 C 113.6 0.2 1 1211 . 119 TRP CZ3 C 122.1 0.2 1 1212 . 119 TRP CH2 C 124.1 0.2 1 1213 . 119 TRP N N 131.9 0.3 1 1214 . 119 TRP NE1 N 132.3 0.2 1 1215 . 120 ILE H H 8.31 0.03 1 1216 . 120 ILE HA H 4.88 0.03 1 1217 . 120 ILE HB H 1.51 0.03 1 1218 . 120 ILE HG12 H 1.48 0.03 2 1219 . 120 ILE HG13 H 0.66 0.03 2 1220 . 120 ILE HG2 H 0.49 0.03 1 1221 . 120 ILE HD1 H 0.57 0.03 1 1222 . 120 ILE CA C 61.2 0.2 1 1223 . 120 ILE CB C 41.1 0.2 1 1224 . 120 ILE CG1 C 27.2 0.2 1 1225 . 120 ILE CG2 C 19.0 0.2 1 1226 . 120 ILE CD1 C 14.6 0.2 1 1227 . 120 ILE N N 127.2 0.2 1 1228 . 121 GLU H H 9.22 0.03 1 1229 . 121 GLU HA H 4.95 0.03 1 1230 . 121 GLU HB2 H 2.45 0.03 2 1231 . 121 GLU HB3 H 1.78 0.03 2 1232 . 121 GLU HG2 H 2.47 0.03 2 1233 . 121 GLU HG3 H 2.31 0.03 2 1234 . 121 GLU CA C 55.2 0.2 1 1235 . 121 GLU CB C 35.5 0.2 1 1236 . 121 GLU CG C 36.3 0.2 1 1237 . 121 GLU N N 128.1 0.2 1 1238 . 122 TYR H H 9.03 0.03 1 1239 . 122 TYR HA H 4.54 0.03 1 1240 . 122 TYR HB2 H 3.26 0.03 2 1241 . 122 TYR HB3 H 2.96 0.03 2 1242 . 122 TYR HD1 H 6.85 0.03 1 1243 . 122 TYR HD2 H 6.85 0.03 1 1244 . 122 TYR HE1 H 6.89 0.03 1 1245 . 122 TYR HE2 H 6.89 0.03 1 1246 . 122 TYR CA C 57.5 0.2 1 1247 . 122 TYR CB C 38.3 0.2 1 1248 . 122 TYR CD1 C 132.9 0.2 1 1249 . 122 TYR CD2 C 132.9 0.2 1 1250 . 122 TYR N N 130.0 0.2 1 1251 . 123 TRP H H 8.42 0.03 1 1252 . 123 TRP HA H 4.84 0.03 1 1253 . 123 TRP HB2 H 3.07 0.03 2 1254 . 123 TRP HB3 H 2.76 0.03 2 1255 . 123 TRP HD1 H 7.02 0.03 1 1256 . 123 TRP HE1 H 10.03 0.03 1 1257 . 123 TRP HE3 H 7.50 0.03 1 1258 . 123 TRP HZ2 H 7.46 0.03 1 1259 . 123 TRP HZ3 H 7.14 0.03 1 1260 . 123 TRP HH2 H 7.06 0.03 1 1261 . 123 TRP CA C 52.6 0.2 1 1262 . 123 TRP CB C 29.8 0.2 1 1263 . 123 TRP CD1 C 124.2 0.2 1 1264 . 123 TRP CE3 C 119.9 0.3 1 1265 . 123 TRP CZ2 C 114.8 0.2 1 1266 . 123 TRP CZ3 C 121.3 0.2 1 1267 . 123 TRP CH2 C 126.2 0.2 1 1268 . 123 TRP N N 134.8 0.3 1 1269 . 123 TRP NE1 N 130.0 0.2 1 1270 . 124 PRO HA H 4.03 0.03 1 1271 . 124 PRO HB2 H 2.21 0.03 1 1272 . 124 PRO HB3 H 2.21 0.03 1 1273 . 124 PRO HG2 H 2.03 0.03 2 1274 . 124 PRO HG3 H 1.79 0.03 2 1275 . 124 PRO HD2 H 3.64 0.03 2 1276 . 124 PRO HD3 H 3.07 0.03 2 1277 . 124 PRO CA C 63.0 0.2 1 1278 . 124 PRO CB C 31.8 0.2 1 1279 . 124 PRO CG C 27.0 0.2 1 1280 . 124 PRO CD C 50.6 0.2 1 1281 . 125 ARG H H 8.37 0.04 1 1282 . 125 ARG HA H 4.28 0.03 1 1283 . 125 ARG HB2 H 1.90 0.03 2 1284 . 125 ARG HB3 H 1.75 0.03 2 1285 . 125 ARG HG2 H 1.77 0.03 2 1286 . 125 ARG HG3 H 1.58 0.03 2 1287 . 125 ARG HD2 H 3.21 0.03 1 1288 . 125 ARG HD3 H 3.21 0.03 1 1289 . 125 ARG CA C 56.8 0.2 1 1290 . 125 ARG CB C 31.5 0.2 1 1291 . 125 ARG CG C 28.2 0.2 1 1292 . 125 ARG CD C 43.4 0.2 1 1293 . 125 ARG N N 118.9 0.3 1 1294 . 126 ASP H H 7.61 0.03 1 1295 . 126 ASP HA H 4.65 0.03 1 1296 . 126 ASP HB2 H 2.84 0.03 1 1297 . 126 ASP HB3 H 2.84 0.03 1 1298 . 126 ASP CA C 53.8 0.2 1 1299 . 126 ASP CB C 42.3 0.2 1 1300 . 126 ASP N N 118.8 0.2 1 1301 . 127 THR H H 7.99 0.03 1 1302 . 127 THR HA H 4.21 0.03 1 1303 . 127 THR HB H 4.50 0.03 1 1304 . 127 THR HG2 H 1.18 0.03 1 1305 . 127 THR CA C 61.7 0.2 1 1306 . 127 THR CB C 69.1 0.2 1 1307 . 127 THR CG2 C 21.8 0.2 1 1308 . 127 THR N N 109.0 0.2 1 1309 . 128 THR H H 8.49 0.03 1 1310 . 128 THR HA H 4.40 0.03 1 1311 . 128 THR HB H 4.37 0.03 1 1312 . 128 THR HG2 H 1.25 0.03 1 1313 . 128 THR CA C 63.1 0.2 1 1314 . 128 THR CB C 70.2 0.4 1 1315 . 128 THR CG2 C 21.8 0.2 1 1316 . 128 THR N N 112.1 0.2 1 1317 . 129 CYS H H 7.59 0.03 1 1318 . 129 CYS HA H 4.91 0.03 1 1319 . 129 CYS HB2 H 3.50 0.03 1 1320 . 129 CYS HB3 H 3.50 0.03 1 1321 . 129 CYS CA C 56.8 0.2 1 1322 . 129 CYS CB C 41.7 0.2 1 1323 . 129 CYS N N 119.2 0.2 1 1324 . 132 CYS H H 8.18 0.03 1 1325 . 132 CYS CA C 65.1 0.2 1 1326 . 132 CYS N N 120.8 0.2 1 1327 . 133 GLN H H 8.77 0.03 1 1328 . 133 GLN HA H 3.97 0.03 1 1329 . 133 GLN HB2 H 2.16 0.03 1 1330 . 133 GLN HB3 H 2.16 0.03 1 1331 . 133 GLN HG2 H 2.56 0.03 2 1332 . 133 GLN HG3 H 2.40 0.03 2 1333 . 133 GLN HE21 H 7.52 0.03 2 1334 . 133 GLN HE22 H 6.85 0.03 2 1335 . 133 GLN CA C 60.3 0.2 1 1336 . 133 GLN CB C 28.0 0.2 1 1337 . 133 GLN CG C 34.2 0.2 1 1338 . 133 GLN N N 119.5 0.2 1 1339 . 133 GLN NE2 N 112.3 0.2 1 1340 . 134 ALA H H 8.47 0.03 1 1341 . 134 ALA HA H 4.08 0.03 1 1342 . 134 ALA HB H 1.46 0.03 1 1343 . 134 ALA CA C 54.7 0.2 1 1344 . 134 ALA CB C 18.3 0.2 1 1345 . 134 ALA N N 122.7 0.2 1 1346 . 135 PHE H H 8.09 0.03 1 1347 . 135 PHE HA H 3.95 0.03 1 1348 . 135 PHE HB2 H 3.04 0.03 2 1349 . 135 PHE HB3 H 2.75 0.03 2 1350 . 135 PHE HD1 H 6.61 0.03 1 1351 . 135 PHE HD2 H 6.61 0.03 1 1352 . 135 PHE HE1 H 7.31 0.03 1 1353 . 135 PHE HE2 H 7.31 0.03 1 1354 . 135 PHE CA C 62.1 0.2 1 1355 . 135 PHE CB C 40.2 0.2 1 1356 . 135 PHE CD1 C 129.9 0.2 1 1357 . 135 PHE CD2 C 129.9 0.2 1 1358 . 135 PHE CE1 C 132.5 0.2 1 1359 . 135 PHE CE2 C 132.5 0.2 1 1360 . 135 PHE N N 118.5 0.2 1 1361 . 136 LEU H H 8.53 0.03 1 1362 . 136 LEU HA H 3.48 0.03 1 1363 . 136 LEU HB2 H 1.85 0.07 2 1364 . 136 LEU HB3 H 1.46 0.03 2 1365 . 136 LEU HG H 1.81 0.03 1 1366 . 136 LEU HD1 H 0.96 0.03 2 1367 . 136 LEU HD2 H 0.80 0.03 2 1368 . 136 LEU CA C 57.5 0.2 1 1369 . 136 LEU CB C 41.4 0.2 1 1370 . 136 LEU CG C 27.7 0.2 1 1371 . 136 LEU CD1 C 23.3 0.2 2 1372 . 136 LEU CD2 C 25.4 0.2 2 1373 . 136 LEU N N 118.3 0.2 1 1374 . 137 ALA H H 7.64 0.03 1 1375 . 137 ALA HA H 4.16 0.03 1 1376 . 137 ALA HB H 1.46 0.03 1 1377 . 137 ALA CA C 55.2 0.2 1 1378 . 137 ALA CB C 17.4 0.2 1 1379 . 137 ALA N N 120.1 0.2 1 1380 . 138 ASN H H 7.20 0.03 1 1381 . 138 ASN HA H 4.41 0.03 1 1382 . 138 ASN HB2 H 2.92 0.03 2 1383 . 138 ASN HB3 H 2.38 0.03 2 1384 . 138 ASN HD21 H 7.62 0.03 2 1385 . 138 ASN HD22 H 7.14 0.03 2 1386 . 138 ASN CA C 55.6 0.2 1 1387 . 138 ASN CB C 37.2 0.2 1 1388 . 138 ASN N N 117.6 0.2 1 1389 . 138 ASN ND2 N 111.8 0.2 1 1390 . 139 LEU H H 7.05 0.03 1 1391 . 139 LEU HA H 3.51 0.03 1 1392 . 139 LEU HB2 H 0.88 0.03 2 1393 . 139 LEU HB3 H 0.13 0.03 2 1394 . 139 LEU HG H 0.30 0.03 1 1395 . 139 LEU HD1 H -0.6 0.03 2 1396 . 139 LEU HD2 H -0.21 0.03 2 1397 . 139 LEU CA C 57.9 0.2 1 1398 . 139 LEU CB C 40.2 0.2 1 1399 . 139 LEU CG C 25.3 0.2 1 1400 . 139 LEU CD1 C 24.8 0.2 2 1401 . 139 LEU CD2 C 21.5 0.2 2 1402 . 139 LEU N N 121.4 0.2 1 1403 . 140 ASP H H 8.57 0.03 1 1404 . 140 ASP HA H 4.48 0.03 1 1405 . 140 ASP HB2 H 2.68 0.03 2 1406 . 140 ASP HB3 H 2.61 0.03 2 1407 . 140 ASP CA C 57.4 0.2 1 1408 . 140 ASP CB C 40.1 0.2 1 1409 . 140 ASP N N 119.5 0.2 1 1410 . 141 GLU H H 7.86 0.03 1 1411 . 141 GLU HA H 4.00 0.03 1 1412 . 141 GLU HB2 H 2.16 0.03 2 1413 . 141 GLU HB3 H 2.08 0.03 2 1414 . 141 GLU HG2 H 2.39 0.03 1 1415 . 141 GLU HG3 H 2.39 0.03 1 1416 . 141 GLU CA C 59.4 0.2 1 1417 . 141 GLU CB C 29.1 0.2 1 1418 . 141 GLU CG C 35.9 0.2 1 1419 . 141 GLU N N 120.8 0.2 1 1420 . 142 PHE H H 7.46 0.04 1 1421 . 142 PHE HA H 4.25 0.03 1 1422 . 142 PHE HB2 H 3.20 0.03 2 1423 . 142 PHE HB3 H 3.08 0.03 2 1424 . 142 PHE HD1 H 6.88 0.03 1 1425 . 142 PHE HD2 H 6.88 0.03 1 1426 . 142 PHE HE1 H 6.58 0.03 1 1427 . 142 PHE HE2 H 6.58 0.03 1 1428 . 142 PHE HZ H 6.67 0.03 1 1429 . 142 PHE CA C 59.7 0.2 1 1430 . 142 PHE CB C 37.8 0.2 1 1431 . 142 PHE CD1 C 132.2 0.2 1 1432 . 142 PHE CD2 C 132.2 0.2 1 1433 . 142 PHE CE1 C 130.0 0.2 1 1434 . 142 PHE CE2 C 130.0 0.2 1 1435 . 142 PHE CZ C 128.6 0.2 1 1436 . 142 PHE N N 120.7 0.2 1 1437 . 143 ALA H H 8.18 0.05 1 1438 . 143 ALA HA H 2.78 0.03 1 1439 . 143 ALA HB H 1.20 0.03 1 1440 . 143 ALA CA C 54.6 0.2 1 1441 . 143 ALA CB C 18.4 0.2 1 1442 . 143 ALA N N 123.1 0.2 1 1443 . 144 GLU H H 8.09 0.03 1 1444 . 144 GLU HA H 4.05 0.03 1 1445 . 144 GLU HB2 H 2.04 0.03 1 1446 . 144 GLU HB3 H 2.04 0.03 1 1447 . 144 GLU HG2 H 2.39 0.03 2 1448 . 144 GLU HG3 H 2.29 0.03 2 1449 . 144 GLU CA C 59.2 0.2 1 1450 . 144 GLU CB C 29.7 0.2 1 1451 . 144 GLU CG C 36.5 0.2 1 1452 . 144 GLU N N 116.2 0.2 1 1453 . 145 ASP H H 7.69 0.09 1 1454 . 145 ASP HA H 4.34 0.03 1 1455 . 145 ASP HB2 H 2.83 0.03 2 1456 . 145 ASP HB3 H 2.71 0.03 2 1457 . 145 ASP CA C 57.1 0.2 1 1458 . 145 ASP CB C 41.8 0.2 1 1459 . 145 ASP N N 118.0 0.2 1 1460 . 146 ILE H H 8.07 0.03 1 1461 . 146 ILE HA H 3.82 0.03 1 1462 . 146 ILE HB H 1.23 0.03 1 1463 . 146 ILE HG12 H 1.14 0.03 1 1464 . 146 ILE HG13 H 1.14 0.03 1 1465 . 146 ILE HG2 H 0.57 0.03 1 1466 . 146 ILE HD1 H 0.62 0.03 1 1467 . 146 ILE CA C 64.2 0.2 1 1468 . 146 ILE CB C 37.7 0.2 1 1469 . 146 ILE CG1 C 29.7 0.2 1 1470 . 146 ILE CG2 C 17.6 0.2 1 1471 . 146 ILE CD1 C 14.3 0.2 1 1472 . 146 ILE N N 118.1 0.2 1 1473 . 147 PHE H H 7.97 0.03 1 1474 . 147 PHE HA H 4.56 0.03 1 1475 . 147 PHE HB2 H 3.41 0.03 2 1476 . 147 PHE HB3 H 3.19 0.03 2 1477 . 147 PHE HD1 H 7.33 0.03 1 1478 . 147 PHE HD2 H 7.33 0.03 1 1479 . 147 PHE HE1 H 7.42 0.03 1 1480 . 147 PHE HE2 H 7.42 0.03 1 1481 . 147 PHE CA C 60.5 0.2 1 1482 . 147 PHE CB C 39.8 0.2 1 1483 . 147 PHE CD1 C 131.6 0.2 1 1484 . 147 PHE CD2 C 131.6 0.2 1 1485 . 147 PHE CE1 C 131.6 0.2 1 1486 . 147 PHE CE2 C 131.6 0.2 1 1487 . 147 PHE N N 123.3 0.2 1 1488 . 148 LEU H H 8.24 0.03 1 1489 . 148 LEU HA H 4.06 0.03 1 1490 . 148 LEU HB2 H 1.83 0.03 2 1491 . 148 LEU HB3 H 1.49 0.03 2 1492 . 148 LEU HG H 1.83 0.03 1 1493 . 148 LEU HD1 H 0.92 0.03 1 1494 . 148 LEU HD2 H 0.92 0.03 1 1495 . 148 LEU CA C 57.2 0.2 1 1496 . 148 LEU CB C 43.2 0.2 1 1497 . 148 LEU CG C 27.0 0.2 1 1498 . 148 LEU CD1 C 24.8 0.2 2 1499 . 148 LEU CD2 C 23.5 0.2 2 1500 . 148 LEU N N 117.5 0.3 1 1501 . 149 ASN H H 8.51 0.04 1 1502 . 149 ASN HA H 4.83 0.03 1 1503 . 149 ASN HB2 H 2.80 0.03 2 1504 . 149 ASN HB3 H 2.69 0.03 2 1505 . 149 ASN HD21 H 8.06 0.03 2 1506 . 149 ASN HD22 H 6.95 0.03 2 1507 . 149 ASN CA C 54.0 0.2 1 1508 . 149 ASN CB C 40.6 0.2 1 1509 . 149 ASN N N 113.9 0.2 1 1510 . 149 ASN ND2 N 117.5 0.2 1 1511 . 150 GLY H H 7.89 0.03 1 1512 . 150 GLY HA2 H 4.04 0.03 2 1513 . 150 GLY HA3 H 3.98 0.03 2 1514 . 150 GLY CA C 45.5 0.2 1 1515 . 150 GLY N N 109.9 0.2 1 1516 . 151 CYS H H 8.05 0.03 1 1517 . 151 CYS HA H 4.64 0.03 1 1518 . 151 CYS HB2 H 3.15 0.03 2 1519 . 151 CYS HB3 H 2.66 0.03 2 1520 . 151 CYS CA C 55.4 0.2 1 1521 . 151 CYS CB C 40.1 0.2 1 1522 . 151 CYS N N 122.5 0.2 1 stop_ save_