data_17127 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; COMPLEX STRUCTURE OF E4 mutant HUMAN IGF2R DOMAIN 11 BOUND TO IGF-II ; _BMRB_accession_number 17127 _BMRB_flat_file_name bmr17127.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 'Solution structure of IGF-II in complex with the mutant form of human domain 11 from the 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 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1110 "13C chemical shifts" 768 "15N chemical shifts" 215 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-03-04 update author 'update entry citation' 2012-08-30 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'An exon splice enhancer primes IGF2:IGF2R binding site structure and function evolution' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 23197533 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Williams Christopher . . 2 Hoppe Hans . . 3 Rezgui Dellel . . 4 Strickland Madeline . . 5 Frago Susana . . 6 Ellis Rosamund Z. . 7 Wattana-Amorn Pakorn . . 8 Prince Stuart N. . 9 Zaccheo Oliver J. . 10 Forbes Briony E. . 11 Jones E. Yvonne . 12 Crump Matthew P. . 13 Hassan A. Bassim . 14 Grutzner Frank . . 15 Nolan Catherine M. . 16 Mungall Andrew J. . stop_ _Journal_abbreviation Science _Journal_volume 338 _Journal_issue 6111 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1209 _Page_last 1213 _Year 2012 _Details . loop_ _Keyword 'CATION-INDEPENDENT MANNOSE-6-PHOSPHATE' 'Genomic imprinting' 'Insulin-like growth factor 2' 'mannose 6 phosphate receptor' 'NMR structure' 'protein evolution' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'IGF-II in complex with the mutant form of human domain 11' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'human domain 11' $HD11 IGF2 $IGF2 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_HD11 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common HD11 _Molecular_mass 15434.610 _Mol_thiol_state 'all disulfide bound' loop_ _Biological_function 'Domain 11 of IGF2R in complex with IGF-II' stop_ _Details 'Disulfide linkages: Cys1516-Cys1553, Cys1559-Cys-1566, Cys1598-Cys1634, Cys1614-1646' ############################## # 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 17128 domain_11 100.00 142 100.00 100.00 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_ save_IGF2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common IGF2 _Molecular_mass 7484.514 _Mol_thiol_state 'all disulfide bound' loop_ _Biological_function 'Free IGF-II is regulated by IGF2R' 'IGF-II act via the tyrosine kinase type 1 IGF receptor (IGF-1R) to promote cell survival and proliferation' stop_ _Details . _Residue_count 67 _Mol_residue_sequence ; AYRPSETLCGGELVDTLQFV CGDRGFYFSRPASRVSRRSR GIVEECCFRSCDLALLETYC ATPAKSE ; loop_ _Residue_seq_code _Residue_label 1 ALA 2 TYR 3 ARG 4 PRO 5 SER 6 GLU 7 THR 8 LEU 9 CYS 10 GLY 11 GLY 12 GLU 13 LEU 14 VAL 15 ASP 16 THR 17 LEU 18 GLN 19 PHE 20 VAL 21 CYS 22 GLY 23 ASP 24 ARG 25 GLY 26 PHE 27 TYR 28 PHE 29 SER 30 ARG 31 PRO 32 ALA 33 SER 34 ARG 35 VAL 36 SER 37 ARG 38 ARG 39 SER 40 ARG 41 GLY 42 ILE 43 VAL 44 GLU 45 GLU 46 CYS 47 CYS 48 PHE 49 ARG 50 SER 51 CYS 52 ASP 53 LEU 54 ALA 55 LEU 56 LEU 57 GLU 58 THR 59 TYR 60 CYS 61 ALA 62 THR 63 PRO 64 ALA 65 LYS 66 SER 67 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-30 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 1IGL "Solution Structure Of Human Insulin-Like Growth Factor Ii Relationship To Receptor And Binding Protein Interactions" 100.00 67 100.00 100.00 3.70e-39 PDB 2L29 "Complex Structure Of E4 Mutant Human Igf2r Domain 11 Bound To Igf-Ii" 100.00 67 100.00 100.00 3.70e-39 PDB 2V5P "Complex Structure Of Human Igf2r Domains 11-13 Bound To Igf-Ii" 100.00 67 100.00 100.00 3.70e-39 PDB 3E4Z "Crystal Structure Of Human Insulin Degrading Enzyme In Complex With Insulin-Like Growth Factor Ii" 100.00 67 100.00 100.00 3.70e-39 PDB 3KR3 "Crystal Structure Of Igf-Ii Antibody Complex" 100.00 67 100.00 100.00 3.70e-39 DBJ BAF84283 "unnamed protein product [Homo sapiens]" 100.00 180 98.51 100.00 1.47e-38 DBJ BAG36657 "unnamed protein product [Homo sapiens]" 100.00 180 100.00 100.00 6.20e-39 DBJ BAG54360 "unnamed protein product [Homo sapiens]" 100.00 180 100.00 100.00 6.20e-39 DBJ BAI46830 "insulin-like growth factor 2 [synthetic construct]" 100.00 180 100.00 100.00 6.20e-39 DBJ BAO53964 "insulin-like growth factor 2 [Equus caballus]" 100.00 181 97.01 100.00 2.11e-38 EMBL CAA04657 "IGF2 protein [Callithrix jacchus]" 100.00 72 98.51 98.51 2.15e-38 EMBL CAA25426 "preproinsulin-like growth factor II [Homo sapiens]" 100.00 180 100.00 100.00 6.20e-39 EMBL CAA27156 "unnamed protein product [Homo sapiens]" 56.72 49 100.00 100.00 1.92e-16 EMBL CAA27249 "put. IGF-II [Homo sapiens]" 100.00 180 100.00 100.00 5.05e-39 EMBL CAA29516 "unnamed protein product [Homo sapiens]" 100.00 180 100.00 100.00 6.20e-39 GB AAA52544 "insulin-like growth factor II precursor [Homo sapiens]" 100.00 180 100.00 100.00 5.33e-39 GB AAA52545 "insulin-like growth factor II precursor [Homo sapiens]" 100.00 180 100.00 100.00 6.20e-39 GB AAA60088 "insulin-like growth factor II [Homo sapiens]" 100.00 180 100.00 100.00 6.20e-39 GB AAA73915 "insulin-like growth factor II precursor, partial [Equus caballus]" 100.00 93 97.01 100.00 1.65e-38 GB AAB26479 "insulin-like growth factor II, partial [Cavia porcellus]" 100.00 128 100.00 100.00 3.84e-39 PRF 0407244A:PDB=1GF2 "insulin-like growth factor II" 100.00 67 100.00 100.00 3.70e-39 PRF 1009249A "insulin-like growth factor II precursor" 100.00 180 100.00 100.00 6.20e-39 PRF 1203258B "insulin-like growth factor II" 100.00 180 100.00 100.00 6.20e-39 PRF 1707201B "insulin-like growth factor 2" 100.00 67 98.51 100.00 7.66e-39 PRF 1904317A "insulin-like growth factor II" 100.00 128 100.00 100.00 3.84e-39 REF NP_000603 "insulin-like growth factor II isoform 1 preproprotein [Homo sapiens]" 100.00 180 100.00 100.00 6.20e-39 REF NP_001007140 "insulin-like growth factor II isoform 1 preproprotein [Homo sapiens]" 100.00 180 100.00 100.00 6.20e-39 REF NP_001108011 "insulin-like growth factor II precursor [Equus caballus]" 100.00 181 97.01 100.00 2.11e-38 REF NP_001121070 "insulin-like growth factor II isoform 2 [Homo sapiens]" 100.00 236 100.00 100.00 5.86e-39 REF NP_001164877 "insulin-like growth factor II precursor [Oryctolagus cuniculus]" 100.00 181 98.51 100.00 5.48e-39 SP P01344 "RecName: Full=Insulin-like growth factor II; Short=IGF-II; AltName: Full=Somatomedin-A; Contains: RecName: Full=Insulin-like gr" 100.00 180 100.00 100.00 6.20e-39 SP P23695 "RecName: Full=Insulin-like growth factor II; Short=IGF-II; Contains: RecName: Full=Insulin-like growth factor II; Contains: Rec" 100.00 181 98.51 100.00 1.91e-38 SP P41694 "RecName: Full=Insulin-like growth factor II; Short=IGF-II; Contains: RecName: Full=Insulin-like growth factor II; Contains: Rec" 101.49 129 98.53 98.53 4.17e-37 SP P51459 "RecName: Full=Insulin-like growth factor II; Short=IGF-II; AltName: Full=Somatomedin-A; Contains: RecName: Full=Insulin-like gr" 100.00 181 97.01 100.00 2.11e-38 SP Q08279 "RecName: Full=Insulin-like growth factor II; Short=IGF-II; AltName: Full=Somatomedin-A; Contains: RecName: Full=Insulin-like gr" 100.00 128 100.00 100.00 3.84e-39 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $HD11 Human 9606 Eukaryota Metazoa Homo sapiens $IGF2 Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $HD11 'recombinant technology' . Escherichia coli 'BL21 (DE3)' pET26a $IGF2 'recombinant technology' . Escherichia coli JM101 PGEM-TEASY 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 $HD11 . mM 0.5 1 '[U-98% 13C; U-98% 15N]' $IGF2 . mM 1 1.5 'natural abundance' D2O 5 % . . 'natural abundance' 'sodium azide' 100 uM . . 'natural abundance' 'sodium acetate' 5 mM . . 'natural abundance' EDTA 0.1 mM . . 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $IGF2 . mM 0.5 1 '[U-98% 13C; U-98% 15N]' $HD11 . mM 1 1.5 'natural abundance' D2O 5 % . . 'natural abundance' 'sodium azide' 100 uM . . 'natural abundance' 'sodium acetate' 5 mM . . 'natural abundance' EDTA 0.1 mM . . 'natural abundance' H2O 95 % . . 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $IGF2 . mM 0.5 1 '[U-98% 15N; U-95% 2H]' $HD11 . mM 1 1.5 'natural abundance' D2O 5 % . . 'natural abundance' 'sodium azide' 100 uM . . 'natural abundance' 'sodium acetate' 5 mM . . 'natural abundance' EDTA 0.1 mM . . '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_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_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_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_ save_CNS _Saveframe_category software _Name CNS _Version 1.2 loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details 'room temp probe' save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model VNMRS _Field_strength 600 _Details 'cryoprobe 600MHz' save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model UnityPlus _Field_strength 900 _Details 'cryoprobe 900MHz' save_ ############################# # NMR applied experiments # ############################# save_3D_1H-13C_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_2 save_ save_2D_1H-15N_HSQC_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_3 save_ save_3D_1H-15N_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_3 save_ save_2D_1H-15N_HSQC_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_HNCO_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCA_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCACB_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_17 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_18 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_19 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_20 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_21 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_2 save_ save_3D_CBCA(CO)NH_22 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_2 save_ save_3D_C(CO)NH_23 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_2 save_ save_3D_HNCO_24 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_HNCA_25 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_3D_HNCACB_26 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_HN(CO)CA_27 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_2 save_ save_3D_H(CCO)NH_28 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_2 save_ save_3D_HCCH-TOCSY_29 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_30 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_31 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_2 save_ save_2D_f2_filter_noesy_32 _Saveframe_category NMR_applied_experiment _Experiment_name '2D f2 filter noesy' _Sample_label $sample_1 save_ save_2D_f2_filter_noesy_33 _Saveframe_category NMR_applied_experiment _Experiment_name '2D f2 filter noesy' _Sample_label $sample_2 save_ save_2D_f2_filter_noesy_34 _Saveframe_category NMR_applied_experiment _Experiment_name '2D f2 filter noesy' _Sample_label $sample_1 save_ save_2D_f2_filter_noesy_35 _Saveframe_category NMR_applied_experiment _Experiment_name '2D f2 filter noesy' _Sample_label $sample_2 save_ save_2D_CN_filtered_noesy_36 _Saveframe_category NMR_applied_experiment _Experiment_name '2D CN filtered noesy' _Sample_label $sample_1 save_ save_2D_CN_filtered_noesy_37 _Saveframe_category NMR_applied_experiment _Experiment_name '2D CN filtered noesy' _Sample_label $sample_2 save_ save_2D_CN_filtered_noesy_38 _Saveframe_category NMR_applied_experiment _Experiment_name '2D CN filtered noesy' _Sample_label $sample_1 save_ save_2D_CN_filtered_noesy_39 _Saveframe_category NMR_applied_experiment _Experiment_name '2D CN filtered noesy' _Sample_label $sample_2 save_ save_2D_CN_filtered_tocsy_40 _Saveframe_category NMR_applied_experiment _Experiment_name '2D CN filtered tocsy' _Sample_label $sample_1 save_ save_2D_CN_filtered_tocsy_41 _Saveframe_category NMR_applied_experiment _Experiment_name '2D CN filtered tocsy' _Sample_label $sample_2 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 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_bound_E4_chem_shift_list_1_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $Analysis stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D 1H-15N NOESY' '3D HNCO' '3D CBCA(CO)NH' '3D C(CO)NH' '3D HNCA' '3D HCCH-TOCSY' '3D HN(CO)CA' '3D H(CCO)NH' '2D 1H-13C HSQC' '3D HNCACB' '2D f2 filter noesy' '2D CN filtered noesy' '2D CN filtered tocsy' stop_ loop_ _Sample_label $sample_3 $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'human domain 11' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1508 1 MET HA H 4.190 0.05 1 2 1508 1 MET HB2 H 2.186 0.05 1 3 1508 1 MET HB3 H 2.186 0.05 1 4 1508 1 MET HE H 2.083 0.05 1 5 1508 1 MET HG2 H 2.586 0.05 1 6 1508 1 MET HG3 H 2.586 0.05 1 7 1508 1 MET C C 172.251 0.20 1 8 1508 1 MET CA C 55.369 0.20 1 9 1508 1 MET CB C 34.401 0.20 1 10 1508 1 MET CE C 16.902 0.20 1 11 1508 1 MET CG C 31.376 0.20 1 12 1509 2 LYS H H 8.773 0.05 1 13 1509 2 LYS HA H 4.441 0.05 1 14 1509 2 LYS HB2 H 1.837 0.05 2 15 1509 2 LYS HB3 H 1.832 0.05 2 16 1509 2 LYS HD2 H 1.671 0.05 1 17 1509 2 LYS HD3 H 1.671 0.05 1 18 1509 2 LYS HE2 H 2.975 0.05 1 19 1509 2 LYS HE3 H 2.975 0.05 1 20 1509 2 LYS HG2 H 1.458 0.05 1 21 1509 2 LYS HG3 H 1.458 0.05 1 22 1509 2 LYS C C 175.990 0.20 1 23 1509 2 LYS CA C 56.775 0.20 1 24 1509 2 LYS CB C 33.421 0.20 1 25 1509 2 LYS CD C 29.262 0.20 1 26 1509 2 LYS CE C 42.274 0.20 1 27 1509 2 LYS CG C 24.790 0.20 1 28 1509 2 LYS N N 124.542 0.05 1 29 1510 3 SER H H 8.470 0.05 1 30 1510 3 SER HA H 4.600 0.05 1 31 1510 3 SER HB2 H 3.875 0.05 2 32 1510 3 SER HB3 H 3.915 0.05 2 33 1510 3 SER C C 174.055 0.20 1 34 1510 3 SER CA C 58.291 0.20 1 35 1510 3 SER CB C 64.502 0.20 1 36 1510 3 SER N N 117.531 0.05 1 37 1511 4 ASN H H 8.610 0.05 1 38 1511 4 ASN HA H 4.842 0.05 1 39 1511 4 ASN HB2 H 2.822 0.05 2 40 1511 4 ASN HB3 H 2.845 0.05 2 41 1511 4 ASN HD21 H 7.630 0.05 1 42 1511 4 ASN HD22 H 6.910 0.05 1 43 1511 4 ASN C C 174.630 0.20 1 44 1511 4 ASN CA C 53.323 0.20 1 45 1511 4 ASN CB C 39.461 0.20 1 46 1511 4 ASN N N 120.184 0.05 1 47 1511 4 ASN ND2 N 112.534 0.05 1 48 1512 5 GLU H H 8.217 0.05 1 49 1512 5 GLU HA H 4.510 0.05 1 50 1512 5 GLU HB2 H 1.979 0.05 2 51 1512 5 GLU HB3 H 1.904 0.05 2 52 1512 5 GLU HG2 H 2.203 0.05 1 53 1512 5 GLU HG3 H 2.203 0.05 1 54 1512 5 GLU C C 175.584 0.20 1 55 1512 5 GLU CA C 56.461 0.20 1 56 1512 5 GLU CB C 30.058 0.20 1 57 1512 5 GLU CG C 35.587 0.20 1 58 1512 5 GLU N N 120.655 0.05 1 59 1513 6 HIS H H 8.617 0.05 1 60 1513 6 HIS HA H 4.688 0.05 1 61 1513 6 HIS HB2 H 3.557 0.05 2 62 1513 6 HIS HB3 H 3.228 0.05 2 63 1513 6 HIS C C 173.193 0.20 1 64 1513 6 HIS CA C 55.559 0.20 1 65 1513 6 HIS CB C 29.586 0.20 1 66 1513 6 HIS N N 119.985 0.05 1 67 1514 7 ASP H H 8.302 0.05 1 68 1514 7 ASP HA H 4.854 0.05 1 69 1514 7 ASP HB2 H 2.737 0.05 2 70 1514 7 ASP HB3 H 2.570 0.05 2 71 1514 7 ASP C C 175.657 0.20 1 72 1514 7 ASP CA C 53.867 0.20 1 73 1514 7 ASP CB C 41.004 0.20 1 74 1514 7 ASP N N 121.252 0.05 1 75 1515 8 ASP H H 8.585 0.05 1 76 1515 8 ASP HA H 4.536 0.05 1 77 1515 8 ASP HB2 H 2.727 0.05 2 78 1515 8 ASP HB3 H 2.750 0.05 2 79 1515 8 ASP C C 174.949 0.20 1 80 1515 8 ASP CA C 54.358 0.20 1 81 1515 8 ASP CB C 40.003 0.20 1 82 1515 8 ASP N N 117.770 0.05 1 83 1516 9 CYS H H 9.553 0.05 1 84 1516 9 CYS HA H 4.046 0.05 1 85 1516 9 CYS HB2 H 3.531 0.05 2 86 1516 9 CYS HB3 H 2.643 0.05 2 87 1516 9 CYS C C 171.841 0.20 1 88 1516 9 CYS CA C 58.286 0.20 1 89 1516 9 CYS CB C 41.604 0.20 1 90 1516 9 CYS N N 123.080 0.05 1 91 1517 10 GLN H H 7.723 0.05 1 92 1517 10 GLN HA H 5.401 0.05 1 93 1517 10 GLN HB2 H 2.029 0.05 1 94 1517 10 GLN HB3 H 2.029 0.05 1 95 1517 10 GLN HE21 H 7.162 0.05 1 96 1517 10 GLN HE22 H 6.673 0.05 1 97 1517 10 GLN HG2 H 2.252 0.05 2 98 1517 10 GLN HG3 H 2.110 0.05 2 99 1517 10 GLN C C 174.010 0.20 1 100 1517 10 GLN CA C 54.375 0.20 1 101 1517 10 GLN CG C 33.876 0.20 1 102 1517 10 GLN N N 113.486 0.05 1 103 1517 10 GLN NE2 N 109.739 0.05 1 104 1518 11 VAL H H 8.709 0.05 1 105 1518 11 VAL HA H 4.461 0.05 1 106 1518 11 VAL HB H 2.207 0.05 1 107 1518 11 VAL HG1 H 1.286 0.05 2 108 1518 11 VAL HG2 H 0.646 0.05 2 109 1518 11 VAL C C 171.922 0.20 1 110 1518 11 VAL CA C 61.470 0.20 1 111 1518 11 VAL CB C 34.026 0.20 1 112 1518 11 VAL CG1 C 22.827 0.20 2 113 1518 11 VAL CG2 C 20.293 0.20 2 114 1518 11 VAL N N 118.448 0.05 1 115 1519 12 THR H H 7.843 0.05 1 116 1519 12 THR HA H 5.471 0.05 1 117 1519 12 THR HB H 3.670 0.05 1 118 1519 12 THR HG2 H 0.865 0.05 1 119 1519 12 THR C C 175.114 0.20 1 120 1519 12 THR CA C 60.063 0.20 1 121 1519 12 THR CB C 71.167 0.20 1 122 1519 12 THR CG2 C 22.007 0.20 1 123 1519 12 THR N N 118.607 0.05 1 124 1520 13 ASN H H 8.175 0.05 1 125 1520 13 ASN HA H 4.170 0.05 1 126 1520 13 ASN HB2 H 2.418 0.05 2 127 1520 13 ASN HB3 H 3.216 0.05 2 128 1520 13 ASN HD21 H 7.162 0.05 1 129 1520 13 ASN HD22 H 9.333 0.05 1 130 1520 13 ASN CA C 50.306 0.20 1 131 1520 13 ASN CB C 39.392 0.20 1 132 1520 13 ASN N N 120.605 0.05 1 133 1520 13 ASN ND2 N 118.208 0.05 1 134 1521 14 PRO HA H 4.528 0.05 1 135 1521 14 PRO HB2 H 2.355 0.05 1 136 1521 14 PRO HB3 H 2.355 0.05 1 137 1521 14 PRO HD2 H 3.733 0.05 1 138 1521 14 PRO HD3 H 3.733 0.05 1 139 1521 14 PRO HG2 H 2.041 0.05 1 140 1521 14 PRO HG3 H 2.041 0.05 1 141 1521 14 PRO C C 178.109 0.20 1 142 1521 14 PRO CA C 64.348 0.20 1 143 1521 14 PRO CB C 32.403 0.20 1 144 1521 14 PRO CD C 50.922 0.20 1 145 1521 14 PRO CG C 27.285 0.20 1 146 1522 15 SER H H 8.030 0.05 1 147 1522 15 SER HA H 4.423 0.05 1 148 1522 15 SER HB2 H 3.943 0.05 1 149 1522 15 SER HB3 H 3.943 0.05 1 150 1522 15 SER C C 175.156 0.20 1 151 1522 15 SER CA C 61.117 0.20 1 152 1522 15 SER CB C 63.575 0.20 1 153 1522 15 SER N N 111.787 0.05 1 154 1523 16 THR H H 6.775 0.05 1 155 1523 16 THR HA H 4.450 0.05 1 156 1523 16 THR HB H 4.296 0.05 1 157 1523 16 THR HG2 H 1.106 0.05 1 158 1523 16 THR C C 176.263 0.20 1 159 1523 16 THR CA C 61.377 0.20 1 160 1523 16 THR CB C 71.294 0.20 1 161 1523 16 THR CG2 C 20.896 0.20 1 162 1523 16 THR N N 106.781 0.05 1 163 1524 17 GLY H H 8.626 0.05 1 164 1524 17 GLY HA2 H 4.180 0.05 2 165 1524 17 GLY HA3 H 3.577 0.05 2 166 1524 17 GLY C C 173.614 0.20 1 167 1524 17 GLY CA C 45.957 0.20 1 168 1524 17 GLY N N 111.289 0.05 1 169 1525 18 HIS H H 7.810 0.05 1 170 1525 18 HIS HA H 3.999 0.05 1 171 1525 18 HIS HB2 H 2.923 0.05 2 172 1525 18 HIS HB3 H 2.536 0.05 2 173 1525 18 HIS HE1 H 8.591 0.05 1 174 1525 18 HIS C C 172.603 0.20 1 175 1525 18 HIS CA C 56.856 0.20 1 176 1525 18 HIS CB C 29.344 0.20 1 177 1525 18 HIS CE1 C 136.562 0.20 1 178 1525 18 HIS N N 118.862 0.05 1 179 1526 19 LEU H H 7.809 0.05 1 180 1526 19 LEU HA H 4.037 0.05 1 181 1526 19 LEU HB2 H 1.479 0.05 2 182 1526 19 LEU HB3 H 1.156 0.05 2 183 1526 19 LEU HD1 H 0.615 0.05 2 184 1526 19 LEU HD2 H 0.687 0.05 2 185 1526 19 LEU HG H 1.087 0.05 1 186 1526 19 LEU C C 174.874 0.20 1 187 1526 19 LEU CA C 54.888 0.20 1 188 1526 19 LEU CB C 43.260 0.20 1 189 1526 19 LEU CD1 C 23.831 0.20 2 190 1526 19 LEU CD2 C 25.534 0.20 2 191 1526 19 LEU CG C 27.733 0.20 1 192 1526 19 LEU N N 128.714 0.05 1 193 1527 20 PHE H H 9.194 0.05 1 194 1527 20 PHE HA H 4.685 0.05 1 195 1527 20 PHE HB2 H 3.000 0.05 2 196 1527 20 PHE HB3 H 2.650 0.05 2 197 1527 20 PHE HD1 H 7.443 0.05 3 198 1527 20 PHE HD2 H 7.443 0.05 3 199 1527 20 PHE HE1 H 6.923 0.05 3 200 1527 20 PHE HE2 H 6.923 0.05 3 201 1527 20 PHE HZ H 7.347 0.05 1 202 1527 20 PHE C C 174.375 0.20 1 203 1527 20 PHE CA C 57.323 0.20 1 204 1527 20 PHE CB C 40.436 0.20 1 205 1527 20 PHE CD1 C 132.932 0.20 3 206 1527 20 PHE CD2 C 132.932 0.20 3 207 1527 20 PHE CE1 C 131.156 0.20 3 208 1527 20 PHE CE2 C 131.156 0.20 3 209 1527 20 PHE CZ C 129.970 0.20 1 210 1527 20 PHE N N 126.148 0.05 1 211 1528 21 ASP H H 8.415 0.05 1 212 1528 21 ASP HA H 5.011 0.05 1 213 1528 21 ASP HB2 H 2.264 0.05 2 214 1528 21 ASP HB3 H 2.877 0.05 2 215 1528 21 ASP C C 176.514 0.20 1 216 1528 21 ASP CA C 53.091 0.20 1 217 1528 21 ASP CB C 42.860 0.20 1 218 1528 21 ASP N N 120.561 0.05 1 219 1529 22 LEU H H 8.308 0.05 1 220 1529 22 LEU HA H 4.357 0.05 1 221 1529 22 LEU HB2 H 1.218 0.05 2 222 1529 22 LEU HB3 H 1.366 0.05 2 223 1529 22 LEU HD1 H -0.070 0.05 2 224 1529 22 LEU HD2 H -0.330 0.05 2 225 1529 22 LEU HG H 0.936 0.05 1 226 1529 22 LEU C C 177.140 0.20 1 227 1529 22 LEU CA C 54.133 0.20 1 228 1529 22 LEU CB C 41.152 0.20 1 229 1529 22 LEU CD1 C 24.449 0.20 2 230 1529 22 LEU CD2 C 22.621 0.20 2 231 1529 22 LEU CG C 27.290 0.20 1 232 1529 22 LEU N N 126.367 0.05 1 233 1530 23 SER H H 8.949 0.05 1 234 1530 23 SER HA H 3.927 0.05 1 235 1530 23 SER HB2 H 4.021 0.05 1 236 1530 23 SER HB3 H 4.021 0.05 1 237 1530 23 SER C C 177.602 0.20 1 238 1530 23 SER CA C 63.181 0.20 1 239 1530 23 SER CB C 62.665 0.20 1 240 1530 23 SER N N 116.958 0.05 1 241 1531 24 SER H H 8.834 0.05 1 242 1531 24 SER HA H 4.278 0.05 1 243 1531 24 SER HB2 H 3.945 0.05 2 244 1531 24 SER HB3 H 3.975 0.05 2 245 1531 24 SER C C 175.648 0.20 1 246 1531 24 SER CA C 61.393 0.20 1 247 1531 24 SER CB C 62.600 0.20 1 248 1531 24 SER N N 118.663 0.05 1 249 1532 25 LEU H H 7.972 0.05 1 250 1532 25 LEU HA H 4.693 0.05 1 251 1532 25 LEU HB2 H 1.644 0.05 2 252 1532 25 LEU HB3 H 1.562 0.05 2 253 1532 25 LEU HD1 H 0.676 0.05 2 254 1532 25 LEU HD2 H -0.036 0.05 2 255 1532 25 LEU HG H 1.231 0.05 1 256 1532 25 LEU C C 177.148 0.20 1 257 1532 25 LEU CA C 54.931 0.20 1 258 1532 25 LEU CB C 42.338 0.20 1 259 1532 25 LEU CD1 C 25.016 0.20 2 260 1532 25 LEU CD2 C 21.466 0.20 2 261 1532 25 LEU CG C 26.516 0.20 1 262 1532 25 LEU N N 120.469 0.05 1 263 1533 26 SER H H 7.671 0.05 1 264 1533 26 SER HA H 4.898 0.05 1 265 1533 26 SER HB2 H 4.148 0.05 2 266 1533 26 SER HB3 H 3.942 0.05 2 267 1533 26 SER C C 174.113 0.20 1 268 1533 26 SER CA C 59.574 0.20 1 269 1533 26 SER CB C 65.142 0.20 1 270 1533 26 SER N N 114.709 0.05 1 271 1534 27 GLY H H 8.968 0.05 1 272 1534 27 GLY HA2 H 4.776 0.05 2 273 1534 27 GLY HA3 H 3.830 0.05 2 274 1534 27 GLY C C 176.278 0.20 1 275 1534 27 GLY CA C 45.008 0.20 1 276 1534 27 GLY N N 110.461 0.05 1 277 1535 28 ARG H H 8.688 0.05 1 278 1535 28 ARG HA H 4.552 0.05 1 279 1535 28 ARG HB2 H 1.745 0.05 1 280 1535 28 ARG HB3 H 1.745 0.05 1 281 1535 28 ARG HD2 H 3.231 0.05 2 282 1535 28 ARG HD3 H 3.171 0.05 2 283 1535 28 ARG HE H 7.739 0.05 1 284 1535 28 ARG HG2 H 1.582 0.05 1 285 1535 28 ARG HG3 H 1.582 0.05 1 286 1535 28 ARG C C 177.548 0.20 1 287 1535 28 ARG CA C 58.470 0.20 1 288 1535 28 ARG CB C 31.270 0.20 1 289 1535 28 ARG CD C 43.271 0.20 1 290 1535 28 ARG CG C 28.891 0.20 1 291 1535 28 ARG N N 123.274 0.05 1 292 1535 28 ARG NE N 84.095 0.05 1 293 1536 29 ALA H H 8.347 0.05 1 294 1536 29 ALA HA H 3.972 0.05 1 295 1536 29 ALA HB H 1.308 0.05 1 296 1536 29 ALA C C 179.877 0.20 1 297 1536 29 ALA CA C 54.965 0.20 1 298 1536 29 ALA CB C 17.866 0.20 1 299 1536 29 ALA N N 122.736 0.05 1 300 1537 30 GLY H H 7.264 0.05 1 301 1537 30 GLY HA2 H 3.848 0.05 2 302 1537 30 GLY HA3 H 3.919 0.05 2 303 1537 30 GLY C C 172.767 0.20 1 304 1537 30 GLY CA C 47.115 0.20 1 305 1537 30 GLY N N 102.096 0.05 1 306 1538 31 PHE H H 9.343 0.05 1 307 1538 31 PHE HA H 4.990 0.05 1 308 1538 31 PHE HB2 H 3.211 0.05 2 309 1538 31 PHE HB3 H 2.420 0.05 2 310 1538 31 PHE HD1 H 7.424 0.05 3 311 1538 31 PHE HD2 H 7.424 0.05 3 312 1538 31 PHE HE1 H 7.904 0.05 3 313 1538 31 PHE HE2 H 7.904 0.05 3 314 1538 31 PHE HZ H 7.682 0.05 1 315 1538 31 PHE C C 175.517 0.20 1 316 1538 31 PHE CA C 56.842 0.20 1 317 1538 31 PHE CB C 45.046 0.20 1 318 1538 31 PHE CD1 C 132.143 0.20 3 319 1538 31 PHE CD2 C 132.143 0.20 3 320 1538 31 PHE CE1 C 132.385 0.20 3 321 1538 31 PHE CE2 C 132.385 0.20 3 322 1538 31 PHE CZ C 130.834 0.20 1 323 1538 31 PHE N N 119.950 0.05 1 324 1539 32 THR H H 8.538 0.05 1 325 1539 32 THR HA H 5.538 0.05 1 326 1539 32 THR HB H 3.772 0.05 1 327 1539 32 THR HG2 H 1.128 0.05 1 328 1539 32 THR C C 173.327 0.20 1 329 1539 32 THR CA C 59.322 0.20 1 330 1539 32 THR CB C 72.529 0.20 1 331 1539 32 THR CG2 C 23.084 0.20 1 332 1539 32 THR N N 110.952 0.05 1 333 1540 33 ALA H H 8.651 0.05 1 334 1540 33 ALA HA H 4.821 0.05 1 335 1540 33 ALA HB H 1.244 0.05 1 336 1540 33 ALA C C 176.284 0.20 1 337 1540 33 ALA CA C 50.670 0.20 1 338 1540 33 ALA CB C 21.853 0.20 1 339 1540 33 ALA N N 122.369 0.05 1 340 1541 34 ALA H H 8.681 0.05 1 341 1541 34 ALA HA H 4.677 0.05 1 342 1541 34 ALA HB H 1.424 0.05 1 343 1541 34 ALA C C 178.014 0.20 1 344 1541 34 ALA CA C 53.557 0.20 1 345 1541 34 ALA CB C 19.855 0.20 1 346 1541 34 ALA N N 126.451 0.05 1 347 1542 35 TYR H H 7.786 0.05 1 348 1542 35 TYR HA H 4.958 0.05 1 349 1542 35 TYR HB2 H 2.441 0.05 2 350 1542 35 TYR HB3 H 3.229 0.05 2 351 1542 35 TYR HD1 H 6.891 0.05 3 352 1542 35 TYR HD2 H 6.891 0.05 3 353 1542 35 TYR HE1 H 6.669 0.05 3 354 1542 35 TYR HE2 H 6.669 0.05 3 355 1542 35 TYR C C 173.829 0.20 1 356 1542 35 TYR CA C 56.156 0.20 1 357 1542 35 TYR CB C 39.704 0.20 1 358 1542 35 TYR CD1 C 133.754 0.20 3 359 1542 35 TYR CD2 C 133.754 0.20 3 360 1542 35 TYR CE1 C 118.953 0.20 3 361 1542 35 TYR CE2 C 118.953 0.20 3 362 1542 35 TYR N N 115.444 0.05 1 363 1543 36 SER H H 7.964 0.05 1 364 1543 36 SER HA H 4.575 0.05 1 365 1543 36 SER HB2 H 4.198 0.05 2 366 1543 36 SER HB3 H 3.899 0.05 2 367 1543 36 SER C C 173.852 0.20 1 368 1543 36 SER CA C 57.144 0.20 1 369 1543 36 SER CB C 64.653 0.20 1 370 1543 36 SER N N 117.694 0.05 1 371 1544 37 LYS H H 10.311 0.05 1 372 1544 37 LYS HA H 4.082 0.05 1 373 1544 37 LYS HB2 H 1.864 0.05 2 374 1544 37 LYS HB3 H 1.859 0.05 2 375 1544 37 LYS HD2 H 1.652 0.05 2 376 1544 37 LYS HD3 H 1.649 0.05 2 377 1544 37 LYS HE2 H 2.961 0.05 2 378 1544 37 LYS HE3 H 2.963 0.05 2 379 1544 37 LYS HG2 H 1.486 0.05 2 380 1544 37 LYS HG3 H 1.512 0.05 2 381 1544 37 LYS C C 177.719 0.20 1 382 1544 37 LYS CA C 59.691 0.20 1 383 1544 37 LYS CB C 32.238 0.20 1 384 1544 37 LYS CD C 29.217 0.20 1 385 1544 37 LYS CE C 42.085 0.20 1 386 1544 37 LYS CG C 25.278 0.20 1 387 1544 37 LYS N N 121.292 0.05 1 388 1545 38 SER H H 8.040 0.05 1 389 1545 38 SER HA H 4.638 0.05 1 390 1545 38 SER HB2 H 3.828 0.05 2 391 1545 38 SER HB3 H 3.715 0.05 2 392 1545 38 SER C C 173.908 0.20 1 393 1545 38 SER CA C 57.770 0.20 1 394 1545 38 SER CB C 65.081 0.20 1 395 1545 38 SER N N 109.484 0.05 1 396 1546 39 GLY H H 7.435 0.05 1 397 1546 39 GLY HA2 H 4.160 0.05 2 398 1546 39 GLY HA3 H 2.874 0.05 2 399 1546 39 GLY C C 172.582 0.20 1 400 1546 39 GLY CA C 45.046 0.20 1 401 1546 39 GLY N N 112.372 0.05 1 402 1547 40 VAL H H 7.490 0.05 1 403 1547 40 VAL HA H 4.839 0.05 1 404 1547 40 VAL HB H 1.534 0.05 1 405 1547 40 VAL HG1 H 0.183 0.05 2 406 1547 40 VAL HG2 H 0.577 0.05 2 407 1547 40 VAL C C 175.307 0.20 1 408 1547 40 VAL CA C 58.798 0.20 1 409 1547 40 VAL CB C 36.112 0.20 1 410 1547 40 VAL CG1 C 21.264 0.20 2 411 1547 40 VAL CG2 C 17.782 0.20 2 412 1547 40 VAL N N 114.610 0.05 1 413 1548 41 VAL H H 9.113 0.05 1 414 1548 41 VAL HA H 4.639 0.05 1 415 1548 41 VAL HB H 2.220 0.05 1 416 1548 41 VAL HG1 H 0.981 0.05 2 417 1548 41 VAL HG2 H 1.201 0.05 2 418 1548 41 VAL C C 175.986 0.20 1 419 1548 41 VAL CA C 61.383 0.20 1 420 1548 41 VAL CB C 33.934 0.20 1 421 1548 41 VAL CG1 C 21.676 0.20 2 422 1548 41 VAL CG2 C 21.892 0.20 2 423 1548 41 VAL N N 121.647 0.05 1 424 1549 42 TYR H H 8.928 0.05 1 425 1549 42 TYR HA H 4.674 0.05 1 426 1549 42 TYR HB2 H 3.098 0.05 2 427 1549 42 TYR HB3 H 2.849 0.05 2 428 1549 42 TYR HD1 H 7.108 0.05 3 429 1549 42 TYR HD2 H 7.108 0.05 3 430 1549 42 TYR HE1 H 6.631 0.05 3 431 1549 42 TYR HE2 H 6.631 0.05 3 432 1549 42 TYR C C 175.588 0.20 1 433 1549 42 TYR CA C 58.085 0.20 1 434 1549 42 TYR CB C 39.110 0.20 1 435 1549 42 TYR CD1 C 133.355 0.20 3 436 1549 42 TYR CD2 C 133.355 0.20 3 437 1549 42 TYR CE1 C 117.438 0.20 3 438 1549 42 TYR CE2 C 117.438 0.20 3 439 1549 42 TYR N N 128.189 0.05 1 440 1550 43 MET H H 8.669 0.05 1 441 1550 43 MET HA H 5.761 0.05 1 442 1550 43 MET HB2 H 1.831 0.05 2 443 1550 43 MET HB3 H 1.806 0.05 2 444 1550 43 MET HE H 0.783 0.05 1 445 1550 43 MET HG2 H 2.192 0.05 2 446 1550 43 MET HG3 H 2.097 0.05 2 447 1550 43 MET C C 174.957 0.20 1 448 1550 43 MET CA C 55.099 0.20 1 449 1550 43 MET CB C 37.759 0.20 1 450 1550 43 MET CE C 14.936 0.20 1 451 1550 43 MET CG C 30.364 0.20 1 452 1550 43 MET N N 118.454 0.05 1 453 1551 44 SER H H 9.343 0.05 1 454 1551 44 SER HA H 5.563 0.05 1 455 1551 44 SER HB2 H 3.725 0.05 2 456 1551 44 SER HB3 H 3.621 0.05 2 457 1551 44 SER C C 173.019 0.20 1 458 1551 44 SER CA C 58.754 0.20 1 459 1551 44 SER CB C 68.102 0.20 1 460 1551 44 SER N N 120.779 0.05 1 461 1552 45 ILE H H 9.926 0.05 1 462 1552 45 ILE HA H 4.142 0.05 1 463 1552 45 ILE HB H 2.072 0.05 1 464 1552 45 ILE HD1 H 0.800 0.05 1 465 1552 45 ILE HG12 H 1.775 0.05 2 466 1552 45 ILE HG13 H 1.267 0.05 2 467 1552 45 ILE HG2 H 0.760 0.05 1 468 1552 45 ILE C C 175.780 0.20 1 469 1552 45 ILE CA C 58.212 0.20 1 470 1552 45 ILE CD1 C 9.415 0.20 1 471 1552 45 ILE CG1 C 27.453 0.20 1 472 1552 45 ILE CG2 C 17.489 0.20 1 473 1552 45 ILE N N 123.834 0.05 1 474 1553 46 CYS H H 8.134 0.05 1 475 1553 46 CYS HA H 4.483 0.05 1 476 1553 46 CYS HB2 H 4.096 0.05 2 477 1553 46 CYS HB3 H 3.186 0.05 2 478 1553 46 CYS C C 172.029 0.20 1 479 1553 46 CYS CA C 56.623 0.20 1 480 1553 46 CYS CB C 41.042 0.20 1 481 1553 46 CYS N N 118.027 0.05 1 482 1554 47 GLY H H 6.943 0.05 1 483 1554 47 GLY HA2 H 4.025 0.05 2 484 1554 47 GLY HA3 H 3.657 0.05 2 485 1554 47 GLY C C 169.794 0.20 1 486 1554 47 GLY CA C 45.442 0.20 1 487 1554 47 GLY N N 100.487 0.05 1 488 1555 48 GLU H H 7.824 0.05 1 489 1555 48 GLU HA H 3.758 0.05 1 490 1555 48 GLU HB2 H 1.512 0.05 1 491 1555 48 GLU HB3 H 1.512 0.05 1 492 1555 48 GLU HG2 H 2.085 0.05 2 493 1555 48 GLU HG3 H 1.813 0.05 2 494 1555 48 GLU C C 173.848 0.20 1 495 1555 48 GLU CA C 55.174 0.20 1 496 1555 48 GLU CB C 28.907 0.20 1 497 1555 48 GLU CG C 34.609 0.20 1 498 1555 48 GLU N N 115.179 0.05 1 499 1556 49 ASN H H 8.031 0.05 1 500 1556 49 ASN HA H 5.461 0.05 1 501 1556 49 ASN HB2 H 2.094 0.05 2 502 1556 49 ASN HB3 H 2.223 0.05 2 503 1556 49 ASN HD21 H 7.160 0.05 1 504 1556 49 ASN HD22 H 7.901 0.05 1 505 1556 49 ASN C C 177.755 0.20 1 506 1556 49 ASN CA C 52.608 0.20 1 507 1556 49 ASN CB C 43.772 0.20 1 508 1556 49 ASN N N 117.424 0.05 1 509 1556 49 ASN ND2 N 117.022 0.05 1 510 1557 50 GLU H H 9.240 0.05 1 511 1557 50 GLU HA H 4.127 0.05 1 512 1557 50 GLU HB2 H 1.664 0.05 2 513 1557 50 GLU HB3 H 1.714 0.05 2 514 1557 50 GLU HG2 H 1.830 0.05 2 515 1557 50 GLU HG3 H 2.322 0.05 2 516 1557 50 GLU C C 174.882 0.20 1 517 1557 50 GLU CA C 57.759 0.20 1 518 1557 50 GLU CB C 29.121 0.20 1 519 1557 50 GLU CG C 32.073 0.20 1 520 1557 50 GLU N N 125.380 0.05 1 521 1558 51 ASN H H 8.495 0.05 1 522 1558 51 ASN HA H 4.396 0.05 1 523 1558 51 ASN HB2 H 1.570 0.05 2 524 1558 51 ASN HB3 H 2.205 0.05 2 525 1558 51 ASN HD21 H 7.473 0.05 1 526 1558 51 ASN HD22 H 7.570 0.05 1 527 1558 51 ASN C C 173.378 0.20 1 528 1558 51 ASN CA C 54.231 0.20 1 529 1558 51 ASN CB C 38.853 0.20 1 530 1558 51 ASN N N 117.490 0.05 1 531 1558 51 ASN ND2 N 119.157 0.05 1 532 1559 52 CYS H H 7.571 0.05 1 533 1559 52 CYS HA H 5.126 0.05 1 534 1559 52 CYS HB2 H 2.442 0.05 2 535 1559 52 CYS HB3 H 3.070 0.05 2 536 1559 52 CYS CA C 51.111 0.20 1 537 1559 52 CYS CB C 40.123 0.20 1 538 1559 52 CYS N N 116.916 0.05 1 539 1560 53 PRO HA H 4.132 0.05 1 540 1560 53 PRO HB2 H 2.300 0.05 1 541 1560 53 PRO HB3 H 2.300 0.05 1 542 1561 54 PRO HA H 4.146 0.05 1 543 1561 54 PRO HB2 H 1.814 0.05 1 544 1561 54 PRO HB3 H 1.814 0.05 1 545 1561 54 PRO HG2 H 1.522 0.05 1 546 1561 54 PRO HG3 H 1.522 0.05 1 547 1561 54 PRO C C 177.874 0.20 1 548 1561 54 PRO CA C 64.772 0.20 1 549 1561 54 PRO CB C 31.731 0.20 1 550 1562 55 GLY H H 9.183 0.05 1 551 1562 55 GLY HA2 H 4.169 0.05 2 552 1562 55 GLY HA3 H 3.665 0.05 2 553 1562 55 GLY C C 174.279 0.20 1 554 1562 55 GLY CA C 45.633 0.20 1 555 1562 55 GLY N N 112.141 0.05 1 556 1563 56 VAL H H 8.189 0.05 1 557 1563 56 VAL HA H 3.827 0.05 1 558 1563 56 VAL HB H 2.433 0.05 1 559 1563 56 VAL HG1 H 0.857 0.05 2 560 1563 56 VAL HG2 H 1.219 0.05 2 561 1563 56 VAL C C 175.093 0.20 1 562 1563 56 VAL CA C 64.999 0.20 1 563 1563 56 VAL CB C 31.480 0.20 1 564 1563 56 VAL CG1 C 22.616 0.20 2 565 1563 56 VAL CG2 C 24.140 0.20 2 566 1563 56 VAL N N 124.746 0.05 1 567 1564 57 GLY H H 8.614 0.05 1 568 1564 57 GLY HA2 H 4.219 0.05 2 569 1564 57 GLY HA3 H 4.058 0.05 2 570 1564 57 GLY C C 171.151 0.20 1 571 1564 57 GLY CA C 46.570 0.20 1 572 1564 57 GLY N N 114.423 0.05 1 573 1565 58 ALA H H 7.335 0.05 1 574 1565 58 ALA HA H 5.961 0.05 1 575 1565 58 ALA HB H 1.224 0.05 1 576 1565 58 ALA C C 175.554 0.20 1 577 1565 58 ALA CA C 51.352 0.20 1 578 1565 58 ALA CB C 21.895 0.20 1 579 1565 58 ALA N N 119.576 0.05 1 580 1566 59 CYS H H 9.183 0.05 1 581 1566 59 CYS HA H 5.465 0.05 1 582 1566 59 CYS HB2 H 3.123 0.05 2 583 1566 59 CYS HB3 H 2.702 0.05 2 584 1566 59 CYS C C 171.136 0.20 1 585 1566 59 CYS CA C 56.429 0.20 1 586 1566 59 CYS CB C 43.547 0.20 1 587 1566 59 CYS N N 114.878 0.05 1 588 1567 60 PHE H H 8.436 0.05 1 589 1567 60 PHE HA H 5.689 0.05 1 590 1567 60 PHE HB2 H 2.611 0.05 2 591 1567 60 PHE HB3 H 2.828 0.05 2 592 1567 60 PHE HD1 H 6.185 0.05 3 593 1567 60 PHE HD2 H 6.185 0.05 3 594 1567 60 PHE HE1 H 6.448 0.05 3 595 1567 60 PHE HE2 H 6.448 0.05 3 596 1567 60 PHE HZ H 6.537 0.05 1 597 1567 60 PHE C C 172.645 0.20 1 598 1567 60 PHE CA C 56.654 0.20 1 599 1567 60 PHE CB C 44.040 0.20 1 600 1567 60 PHE CD1 C 130.376 0.20 3 601 1567 60 PHE CD2 C 130.376 0.20 3 602 1567 60 PHE CE1 C 130.599 0.20 3 603 1567 60 PHE CE2 C 130.599 0.20 3 604 1567 60 PHE CZ C 129.937 0.20 1 605 1567 60 PHE N N 115.218 0.05 1 606 1568 61 GLY H H 8.802 0.05 1 607 1568 61 GLY HA2 H 4.116 0.05 2 608 1568 61 GLY HA3 H 4.258 0.05 2 609 1568 61 GLY C C 175.953 0.20 1 610 1568 61 GLY CA C 43.711 0.20 1 611 1568 61 GLY N N 105.731 0.05 1 612 1569 62 GLN H H 9.519 0.05 1 613 1569 62 GLN HA H 4.138 0.05 1 614 1569 62 GLN HB2 H 2.279 0.05 2 615 1569 62 GLN HB3 H 2.166 0.05 2 616 1569 62 GLN HE21 H 6.897 0.05 1 617 1569 62 GLN HE22 H 7.588 0.05 1 618 1569 62 GLN HG2 H 2.538 0.05 2 619 1569 62 GLN HG3 H 2.535 0.05 2 620 1569 62 GLN CA C 59.583 0.20 1 621 1569 62 GLN CB C 29.019 0.20 1 622 1569 62 GLN CG C 34.360 0.20 1 623 1569 62 GLN N N 123.198 0.05 1 624 1569 62 GLN NE2 N 111.989 0.05 1 625 1570 63 THR H H 10.323 0.05 1 626 1570 63 THR HA H 4.129 0.05 1 627 1570 63 THR HB H 4.243 0.05 1 628 1570 63 THR HG2 H 1.129 0.05 1 629 1570 63 THR C C 174.569 0.20 1 630 1570 63 THR CA C 62.813 0.20 1 631 1570 63 THR CB C 69.102 0.20 1 632 1570 63 THR CG2 C 20.851 0.20 1 633 1570 63 THR N N 110.264 0.05 1 634 1571 64 ARG H H 7.283 0.05 1 635 1571 64 ARG HA H 4.128 0.05 1 636 1571 64 ARG HB2 H 2.234 0.05 1 637 1571 64 ARG HB3 H 2.234 0.05 1 638 1571 64 ARG HD2 H 3.381 0.05 2 639 1571 64 ARG HD3 H 3.059 0.05 2 640 1571 64 ARG HE H 6.599 0.05 1 641 1571 64 ARG HG2 H 1.584 0.05 1 642 1571 64 ARG HG3 H 1.584 0.05 1 643 1571 64 ARG C C 174.442 0.20 1 644 1571 64 ARG CA C 54.725 0.20 1 645 1571 64 ARG CD C 42.356 0.20 1 646 1571 64 ARG CZ C 158.789 0.20 1 647 1571 64 ARG N N 116.691 0.05 1 648 1571 64 ARG NE N 86.482 0.05 1 649 1572 65 ILE H H 7.601 0.05 1 650 1572 65 ILE HA H 3.212 0.05 1 651 1572 65 ILE HB H 0.064 0.05 1 652 1572 65 ILE HD1 H 0.600 0.05 1 653 1572 65 ILE HG12 H 1.495 0.05 2 654 1572 65 ILE HG13 H 0.613 0.05 2 655 1572 65 ILE HG2 H 0.457 0.05 1 656 1572 65 ILE C C 176.718 0.20 1 657 1572 65 ILE CA C 63.274 0.20 1 658 1572 65 ILE CB C 37.991 0.20 1 659 1572 65 ILE CD1 C 14.759 0.20 1 660 1572 65 ILE CG1 C 28.879 0.20 1 661 1572 65 ILE CG2 C 17.806 0.20 1 662 1572 65 ILE N N 122.886 0.05 1 663 1573 66 SER H H 8.098 0.05 1 664 1573 66 SER HA H 4.300 0.05 1 665 1573 66 SER HB2 H 3.831 0.05 1 666 1573 66 SER HB3 H 3.831 0.05 1 667 1573 66 SER HG H 5.970 0.05 1 668 1573 66 SER C C 176.977 0.20 1 669 1573 66 SER CA C 56.996 0.20 1 670 1573 66 SER CB C 63.729 0.20 1 671 1573 66 SER N N 119.922 0.05 1 672 1574 67 VAL H H 8.906 0.05 1 673 1574 67 VAL HA H 4.709 0.05 1 674 1574 67 VAL HB H 2.345 0.05 1 675 1574 67 VAL HG1 H 0.316 0.05 2 676 1574 67 VAL HG2 H 0.640 0.05 2 677 1574 67 VAL C C 174.272 0.20 1 678 1574 67 VAL CA C 59.753 0.20 1 679 1574 67 VAL CB C 29.022 0.20 1 680 1574 67 VAL CG1 C 22.672 0.20 2 681 1574 67 VAL CG2 C 20.034 0.20 2 682 1574 67 VAL N N 120.335 0.05 1 683 1575 68 GLY H H 7.825 0.05 1 684 1575 68 GLY HA2 H 4.660 0.05 2 685 1575 68 GLY HA3 H 2.968 0.05 2 686 1575 68 GLY C C 173.347 0.20 1 687 1575 68 GLY CA C 45.585 0.20 1 688 1575 68 GLY N N 106.445 0.05 1 689 1576 69 LYS H H 8.949 0.05 1 690 1576 69 LYS HA H 4.265 0.05 1 691 1576 69 LYS HB2 H 1.769 0.05 2 692 1576 69 LYS HB3 H 1.908 0.05 2 693 1576 69 LYS HD2 H 1.727 0.05 1 694 1576 69 LYS HD3 H 1.727 0.05 1 695 1576 69 LYS HE2 H 3.070 0.05 1 696 1576 69 LYS HE3 H 3.070 0.05 1 697 1576 69 LYS HG2 H 1.346 0.05 1 698 1576 69 LYS HG3 H 1.346 0.05 1 699 1576 69 LYS C C 176.554 0.20 1 700 1576 69 LYS CA C 57.201 0.20 1 701 1576 69 LYS CB C 32.921 0.20 1 702 1576 69 LYS CD C 25.859 0.20 1 703 1576 69 LYS CE C 45.670 0.20 1 704 1576 69 LYS CG C 29.917 0.20 1 705 1576 69 LYS N N 126.584 0.05 1 706 1577 70 ALA H H 7.853 0.05 1 707 1577 70 ALA HA H 2.481 0.05 1 708 1577 70 ALA HB H 0.600 0.05 1 709 1577 70 ALA C C 176.248 0.20 1 710 1577 70 ALA CA C 52.125 0.20 1 711 1577 70 ALA CB C 18.690 0.20 1 712 1577 70 ALA N N 123.804 0.05 1 713 1578 71 ASN H H 6.935 0.05 1 714 1578 71 ASN HA H 4.603 0.05 1 715 1578 71 ASN HB2 H 2.952 0.05 1 716 1578 71 ASN HB3 H 2.952 0.05 1 717 1578 71 ASN HD21 H 7.936 0.05 1 718 1578 71 ASN HD22 H 8.116 0.05 1 719 1578 71 ASN C C 172.253 0.20 1 720 1578 71 ASN CA C 53.469 0.20 1 721 1578 71 ASN CB C 41.255 0.20 1 722 1578 71 ASN N N 113.446 0.05 1 723 1578 71 ASN ND2 N 119.059 0.05 1 724 1579 72 LYS H H 8.636 0.05 1 725 1579 72 LYS HA H 4.839 0.05 1 726 1579 72 LYS HB2 H 2.009 0.05 1 727 1579 72 LYS HB3 H 2.009 0.05 1 728 1579 72 LYS HD2 H 1.750 0.05 1 729 1579 72 LYS HD3 H 1.750 0.05 1 730 1579 72 LYS HE2 H 3.000 0.05 2 731 1579 72 LYS HE3 H 3.005 0.05 2 732 1579 72 LYS HG2 H 1.243 0.05 1 733 1579 72 LYS HG3 H 1.243 0.05 1 734 1579 72 LYS C C 176.171 0.20 1 735 1579 72 LYS CA C 54.925 0.20 1 736 1579 72 LYS CB C 32.857 0.20 1 737 1579 72 LYS CD C 30.105 0.20 1 738 1579 72 LYS CE C 42.462 0.20 1 739 1579 72 LYS CG C 24.743 0.20 1 740 1579 72 LYS N N 115.608 0.05 1 741 1580 73 ARG H H 8.488 0.05 1 742 1580 73 ARG HA H 4.633 0.05 1 743 1580 73 ARG HB2 H 1.806 0.05 2 744 1580 73 ARG HB3 H 1.805 0.05 2 745 1580 73 ARG HD2 H 3.230 0.05 2 746 1580 73 ARG HD3 H 3.252 0.05 2 747 1580 73 ARG HE H 7.434 0.05 1 748 1580 73 ARG HG2 H 1.623 0.05 1 749 1580 73 ARG HG3 H 1.623 0.05 1 750 1580 73 ARG C C 174.379 0.20 1 751 1580 73 ARG CA C 55.419 0.20 1 752 1580 73 ARG CB C 29.012 0.20 1 753 1580 73 ARG CD C 43.436 0.20 1 754 1580 73 ARG CG C 27.384 0.20 1 755 1580 73 ARG N N 122.777 0.05 1 756 1580 73 ARG NE N 84.981 0.05 1 757 1581 74 LEU H H 8.340 0.05 1 758 1581 74 LEU HA H 4.519 0.05 1 759 1581 74 LEU HB2 H 0.970 0.05 2 760 1581 74 LEU HB3 H 1.576 0.05 2 761 1581 74 LEU HD1 H 0.547 0.05 2 762 1581 74 LEU HD2 H 0.632 0.05 2 763 1581 74 LEU HG H 1.360 0.05 1 764 1581 74 LEU C C 175.647 0.20 1 765 1581 74 LEU CA C 55.027 0.20 1 766 1581 74 LEU CB C 44.852 0.20 1 767 1581 74 LEU CD1 C 26.319 0.20 2 768 1581 74 LEU CD2 C 24.820 0.20 2 769 1581 74 LEU CG C 26.727 0.20 1 770 1581 74 LEU N N 129.383 0.05 1 771 1582 75 ARG H H 8.861 0.05 1 772 1582 75 ARG HA H 4.984 0.05 1 773 1582 75 ARG HB2 H 1.769 0.05 1 774 1582 75 ARG HB3 H 1.769 0.05 1 775 1582 75 ARG HD2 H 3.208 0.05 1 776 1582 75 ARG HD3 H 3.208 0.05 1 777 1582 75 ARG HE H 7.130 0.05 1 778 1582 75 ARG HG2 H 1.620 0.05 1 779 1582 75 ARG HG3 H 1.620 0.05 1 780 1582 75 ARG C C 174.471 0.20 1 781 1582 75 ARG CA C 54.733 0.20 1 782 1582 75 ARG CB C 34.084 0.20 1 783 1582 75 ARG CD C 43.784 0.20 1 784 1582 75 ARG CG C 27.329 0.20 1 785 1582 75 ARG N N 123.232 0.05 1 786 1582 75 ARG NE N 85.116 0.05 1 787 1583 76 TYR H H 8.892 0.05 1 788 1583 76 TYR HA H 4.859 0.05 1 789 1583 76 TYR HB2 H 3.074 0.05 2 790 1583 76 TYR HB3 H 2.598 0.05 2 791 1583 76 TYR HD1 H 6.816 0.05 3 792 1583 76 TYR HD2 H 6.816 0.05 3 793 1583 76 TYR HE1 H 6.784 0.05 3 794 1583 76 TYR HE2 H 6.784 0.05 3 795 1583 76 TYR C C 174.595 0.20 1 796 1583 76 TYR CA C 57.790 0.20 1 797 1583 76 TYR CB C 40.225 0.20 1 798 1583 76 TYR CD1 C 132.896 0.20 3 799 1583 76 TYR CD2 C 132.896 0.20 3 800 1583 76 TYR CE1 C 117.584 0.20 3 801 1583 76 TYR CE2 C 117.584 0.20 3 802 1583 76 TYR N N 124.786 0.05 1 803 1584 77 VAL H H 8.655 0.05 1 804 1584 77 VAL HA H 4.207 0.05 1 805 1584 77 VAL HB H 2.091 0.05 1 806 1584 77 VAL HG1 H 0.796 0.05 2 807 1584 77 VAL HG2 H 0.774 0.05 2 808 1584 77 VAL C C 174.584 0.20 1 809 1584 77 VAL CA C 60.477 0.20 1 810 1584 77 VAL CB C 33.777 0.20 1 811 1584 77 VAL CG1 C 20.225 0.20 2 812 1584 77 VAL CG2 C 21.399 0.20 2 813 1584 77 VAL N N 127.777 0.05 1 814 1585 78 ASP H H 8.945 0.05 1 815 1585 78 ASP HA H 4.210 0.05 1 816 1585 78 ASP HB2 H 2.537 0.05 2 817 1585 78 ASP HB3 H 2.872 0.05 2 818 1585 78 ASP C C 174.001 0.20 1 819 1585 78 ASP CA C 55.604 0.20 1 820 1585 78 ASP CB C 38.945 0.20 1 821 1585 78 ASP N N 125.839 0.05 1 822 1586 79 GLN H H 6.621 0.05 1 823 1586 79 GLN HA H 3.562 0.05 1 824 1586 79 GLN HB2 H 2.287 0.05 2 825 1586 79 GLN HB3 H 2.481 0.05 2 826 1586 79 GLN HE21 H 6.855 0.05 1 827 1586 79 GLN HE22 H 7.536 0.05 1 828 1586 79 GLN HG2 H 2.285 0.05 2 829 1586 79 GLN HG3 H 2.420 0.05 2 830 1586 79 GLN C C 174.232 0.20 1 831 1586 79 GLN CA C 58.488 0.20 1 832 1586 79 GLN CB C 27.834 0.20 1 833 1586 79 GLN CG C 35.235 0.20 1 834 1586 79 GLN N N 104.367 0.05 1 835 1586 79 GLN NE2 N 111.996 0.05 1 836 1587 80 VAL H H 7.618 0.05 1 837 1587 80 VAL HA H 4.452 0.05 1 838 1587 80 VAL HB H 2.092 0.05 1 839 1587 80 VAL HG1 H 0.848 0.05 2 840 1587 80 VAL HG2 H 0.718 0.05 2 841 1587 80 VAL C C 174.135 0.20 1 842 1587 80 VAL CA C 60.438 0.20 1 843 1587 80 VAL CB C 34.286 0.20 1 844 1587 80 VAL CG1 C 20.822 0.20 2 845 1587 80 VAL CG2 C 21.896 0.20 2 846 1587 80 VAL N N 119.750 0.05 1 847 1588 81 LEU H H 8.162 0.05 1 848 1588 81 LEU HA H 5.361 0.05 1 849 1588 81 LEU HB2 H 1.720 0.05 2 850 1588 81 LEU HB3 H 1.303 0.05 2 851 1588 81 LEU HD1 H 0.130 0.05 2 852 1588 81 LEU HD2 H 0.411 0.05 2 853 1588 81 LEU HG H 1.308 0.05 1 854 1588 81 LEU C C 177.001 0.20 1 855 1588 81 LEU CA C 52.441 0.20 1 856 1588 81 LEU CB C 43.283 0.20 1 857 1588 81 LEU CD1 C 23.095 0.20 2 858 1588 81 LEU CD2 C 25.333 0.20 2 859 1588 81 LEU CG C 27.492 0.20 1 860 1588 81 LEU N N 121.985 0.05 1 861 1589 82 GLN H H 9.353 0.05 1 862 1589 82 GLN HA H 5.918 0.05 1 863 1589 82 GLN HB2 H 1.686 0.05 2 864 1589 82 GLN HB3 H 1.801 0.05 2 865 1589 82 GLN HE21 H 6.654 0.05 1 866 1589 82 GLN HE22 H 6.954 0.05 1 867 1589 82 GLN HG2 H 2.103 0.05 2 868 1589 82 GLN HG3 H 2.085 0.05 2 869 1589 82 GLN C C 175.233 0.20 1 870 1589 82 GLN CA C 54.994 0.20 1 871 1589 82 GLN CB C 35.499 0.20 1 872 1589 82 GLN CG C 35.404 0.20 1 873 1589 82 GLN N N 121.550 0.05 1 874 1589 82 GLN NE2 N 109.421 0.05 1 875 1590 83 LEU H H 8.922 0.05 1 876 1590 83 LEU HA H 4.784 0.05 1 877 1590 83 LEU HB2 H 1.387 0.05 1 878 1590 83 LEU HB3 H 1.387 0.05 1 879 1590 83 LEU HD1 H 1.071 0.05 2 880 1590 83 LEU HD2 H 0.973 0.05 2 881 1590 83 LEU HG H 1.508 0.05 1 882 1590 83 LEU C C 174.760 0.20 1 883 1590 83 LEU CA C 53.965 0.20 1 884 1590 83 LEU CB C 47.434 0.20 1 885 1590 83 LEU CD1 C 26.408 0.20 2 886 1590 83 LEU CD2 C 24.404 0.20 2 887 1590 83 LEU CG C 27.635 0.20 1 888 1590 83 LEU N N 126.016 0.05 1 889 1591 84 VAL H H 9.347 0.05 1 890 1591 84 VAL HA H 4.955 0.05 1 891 1591 84 VAL HB H 2.026 0.05 1 892 1591 84 VAL HG1 H 0.810 0.05 2 893 1591 84 VAL HG2 H 0.924 0.05 2 894 1591 84 VAL C C 176.273 0.20 1 895 1591 84 VAL CA C 61.203 0.20 1 896 1591 84 VAL CB C 34.153 0.20 1 897 1591 84 VAL CG1 C 20.204 0.20 2 898 1591 84 VAL CG2 C 21.168 0.20 2 899 1591 84 VAL N N 122.441 0.05 1 900 1592 85 TYR H H 9.399 0.05 1 901 1592 85 TYR HA H 5.183 0.05 1 902 1592 85 TYR HB2 H 3.160 0.05 2 903 1592 85 TYR HB3 H 2.873 0.05 2 904 1592 85 TYR HD1 H 6.807 0.05 3 905 1592 85 TYR HD2 H 6.807 0.05 3 906 1592 85 TYR HE1 H 7.067 0.05 3 907 1592 85 TYR HE2 H 7.067 0.05 3 908 1592 85 TYR HH H 10.219 0.05 1 909 1592 85 TYR C C 174.304 0.20 1 910 1592 85 TYR CA C 52.556 0.20 1 911 1592 85 TYR CB C 38.187 0.20 1 912 1592 85 TYR CD1 C 130.995 0.20 3 913 1592 85 TYR CD2 C 130.995 0.20 3 914 1592 85 TYR CE1 C 116.849 0.20 3 915 1592 85 TYR CE2 C 116.849 0.20 3 916 1592 85 TYR N N 129.163 0.05 1 917 1593 86 LYS H H 8.909 0.05 1 918 1593 86 LYS HA H 4.985 0.05 1 919 1593 86 LYS HB2 H 1.691 0.05 2 920 1593 86 LYS HB3 H 1.876 0.05 2 921 1593 86 LYS HD2 H 1.679 0.05 2 922 1593 86 LYS HD3 H 1.690 0.05 2 923 1593 86 LYS HE2 H 2.963 0.05 2 924 1593 86 LYS HE3 H 2.954 0.05 2 925 1593 86 LYS HG2 H 1.430 0.05 2 926 1593 86 LYS HG3 H 1.423 0.05 2 927 1593 86 LYS C C 175.148 0.20 1 928 1593 86 LYS CA C 54.583 0.20 1 929 1593 86 LYS CB C 35.386 0.20 1 930 1593 86 LYS CD C 29.771 0.20 1 931 1593 86 LYS CE C 42.197 0.20 1 932 1593 86 LYS CG C 24.716 0.20 1 933 1593 86 LYS N N 122.057 0.05 1 934 1594 87 ASP H H 9.096 0.05 1 935 1594 87 ASP HA H 4.329 0.05 1 936 1594 87 ASP HB2 H 2.903 0.05 1 937 1594 87 ASP HB3 H 2.903 0.05 1 938 1594 87 ASP C C 176.658 0.20 1 939 1594 87 ASP CA C 55.898 0.20 1 940 1594 87 ASP CB C 38.440 0.20 1 941 1594 87 ASP N N 115.489 0.05 1 942 1595 88 GLY H H 7.962 0.05 1 943 1595 88 GLY HA2 H 3.508 0.05 2 944 1595 88 GLY HA3 H 4.267 0.05 2 945 1595 88 GLY C C 172.253 0.20 1 946 1595 88 GLY CA C 45.018 0.20 1 947 1595 88 GLY N N 103.027 0.05 1 948 1596 89 SER H H 9.044 0.05 1 949 1596 89 SER HA H 4.653 0.05 1 950 1596 89 SER HB2 H 3.967 0.05 2 951 1596 89 SER HB3 H 4.293 0.05 2 952 1596 89 SER CA C 59.930 0.20 1 953 1596 89 SER N N 116.182 0.05 1 954 1597 90 PRO HA H 4.367 0.05 1 955 1597 90 PRO HB2 H 2.237 0.05 2 956 1597 90 PRO HB3 H 1.753 0.05 2 957 1597 90 PRO HG2 H 1.895 0.05 1 958 1597 90 PRO HG3 H 1.895 0.05 1 959 1597 90 PRO C C 175.086 0.20 1 960 1597 90 PRO CA C 63.903 0.20 1 961 1597 90 PRO CB C 31.949 0.20 1 962 1598 91 CYS H H 8.387 0.05 1 963 1598 91 CYS HA H 5.014 0.05 1 964 1598 91 CYS HB2 H 2.111 0.05 2 965 1598 91 CYS HB3 H 2.276 0.05 2 966 1598 91 CYS CA C 52.210 0.20 1 967 1598 91 CYS CB C 42.704 0.20 1 968 1598 91 CYS N N 121.659 0.05 1 969 1599 92 PRO HA H 4.713 0.05 1 970 1599 92 PRO C C 175.248 0.20 1 971 1599 92 PRO CA C 63.548 0.20 1 972 1599 92 PRO CB C 29.360 0.20 1 973 1600 93 SER H H 8.208 0.05 1 974 1600 93 SER HA H 4.719 0.05 1 975 1600 93 SER HB2 H 3.891 0.05 1 976 1600 93 SER HB3 H 3.891 0.05 1 977 1600 93 SER C C 174.239 0.20 1 978 1600 93 SER CA C 57.979 0.20 1 979 1600 93 SER CB C 65.002 0.20 1 980 1600 93 SER N N 123.032 0.05 1 981 1601 94 LYS H H 9.369 0.05 1 982 1601 94 LYS HA H 4.334 0.05 1 983 1601 94 LYS HB2 H 1.861 0.05 2 984 1601 94 LYS HB3 H 1.644 0.05 2 985 1601 94 LYS HD2 H 1.674 0.05 2 986 1601 94 LYS HD3 H 1.661 0.05 2 987 1601 94 LYS HE2 H 2.997 0.05 2 988 1601 94 LYS HE3 H 2.960 0.05 2 989 1601 94 LYS HG2 H 1.477 0.05 1 990 1601 94 LYS HG3 H 1.477 0.05 1 991 1601 94 LYS C C 177.734 0.20 1 992 1601 94 LYS CA C 58.318 0.20 1 993 1601 94 LYS CB C 32.374 0.20 1 994 1601 94 LYS CD C 29.184 0.20 1 995 1601 94 LYS CE C 42.239 0.20 1 996 1601 94 LYS CG C 25.686 0.20 1 997 1601 94 LYS N N 125.115 0.05 1 998 1602 95 SER H H 8.164 0.05 1 999 1602 95 SER HA H 4.599 0.05 1 1000 1602 95 SER HB2 H 3.841 0.05 1 1001 1602 95 SER HB3 H 3.841 0.05 1 1002 1602 95 SER C C 174.842 0.20 1 1003 1602 95 SER CA C 57.860 0.20 1 1004 1602 95 SER CB C 63.928 0.20 1 1005 1602 95 SER N N 111.129 0.05 1 1006 1603 96 GLY H H 7.693 0.05 1 1007 1603 96 GLY HA2 H 3.839 0.05 2 1008 1603 96 GLY HA3 H 3.997 0.05 2 1009 1603 96 GLY C C 175.108 0.20 1 1010 1603 96 GLY CA C 47.441 0.20 1 1011 1603 96 GLY N N 110.083 0.05 1 1012 1604 97 LEU H H 7.448 0.05 1 1013 1604 97 LEU HA H 4.329 0.05 1 1014 1604 97 LEU HB2 H 1.652 0.05 2 1015 1604 97 LEU HB3 H 1.364 0.05 2 1016 1604 97 LEU HD1 H 0.819 0.05 2 1017 1604 97 LEU HD2 H 0.834 0.05 2 1018 1604 97 LEU C C 176.028 0.20 1 1019 1604 97 LEU CA C 54.638 0.20 1 1020 1604 97 LEU CB C 43.152 0.20 1 1021 1604 97 LEU CD1 C 23.025 0.20 2 1022 1604 97 LEU CD2 C 26.597 0.20 2 1023 1604 97 LEU N N 118.344 0.05 1 1024 1605 98 SER H H 7.987 0.05 1 1025 1605 98 SER HA H 4.846 0.05 1 1026 1605 98 SER HB2 H 3.735 0.05 2 1027 1605 98 SER HB3 H 3.629 0.05 2 1028 1605 98 SER C C 173.908 0.20 1 1029 1605 98 SER CA C 56.812 0.20 1 1030 1605 98 SER CB C 66.062 0.20 1 1031 1605 98 SER N N 114.902 0.05 1 1032 1606 99 TYR H H 8.384 0.05 1 1033 1606 99 TYR HA H 5.063 0.05 1 1034 1606 99 TYR HB2 H 2.889 0.05 2 1035 1606 99 TYR HB3 H 3.018 0.05 2 1036 1606 99 TYR HD1 H 7.058 0.05 3 1037 1606 99 TYR HD2 H 7.058 0.05 3 1038 1606 99 TYR HE1 H 6.761 0.05 3 1039 1606 99 TYR HE2 H 6.761 0.05 3 1040 1606 99 TYR C C 175.804 0.20 1 1041 1606 99 TYR CA C 60.392 0.20 1 1042 1606 99 TYR CB C 42.026 0.20 1 1043 1606 99 TYR CD1 C 133.684 0.20 3 1044 1606 99 TYR CD2 C 133.684 0.20 3 1045 1606 99 TYR CE1 C 117.913 0.20 3 1046 1606 99 TYR CE2 C 117.913 0.20 3 1047 1606 99 TYR N N 119.308 0.05 1 1048 1607 100 LYS H H 8.290 0.05 1 1049 1607 100 LYS HA H 5.049 0.05 1 1050 1607 100 LYS HB2 H 1.928 0.05 1 1051 1607 100 LYS HB3 H 1.928 0.05 1 1052 1607 100 LYS HD2 H 1.555 0.05 1 1053 1607 100 LYS HD3 H 1.555 0.05 1 1054 1607 100 LYS HE2 H 2.923 0.05 1 1055 1607 100 LYS HE3 H 2.923 0.05 1 1056 1607 100 LYS HG2 H 1.265 0.05 2 1057 1607 100 LYS HG3 H 1.491 0.05 2 1058 1607 100 LYS C C 174.668 0.20 1 1059 1607 100 LYS CA C 55.043 0.20 1 1060 1607 100 LYS CB C 36.561 0.20 1 1061 1607 100 LYS CD C 29.830 0.20 1 1062 1607 100 LYS CG C 23.850 0.20 1 1063 1607 100 LYS N N 116.687 0.05 1 1064 1608 101 SER H H 9.249 0.05 1 1065 1608 101 SER HA H 5.610 0.05 1 1066 1608 101 SER HB2 H 3.678 0.05 2 1067 1608 101 SER HB3 H 3.612 0.05 2 1068 1608 101 SER C C 172.145 0.20 1 1069 1608 101 SER CA C 58.902 0.20 1 1070 1608 101 SER CB C 66.998 0.20 1 1071 1608 101 SER N N 116.724 0.05 1 1072 1609 102 VAL H H 9.173 0.05 1 1073 1609 102 VAL HA H 4.433 0.05 1 1074 1609 102 VAL HB H 1.883 0.05 1 1075 1609 102 VAL HG1 H 0.651 0.05 2 1076 1609 102 VAL HG2 H 0.873 0.05 2 1077 1609 102 VAL C C 174.984 0.20 1 1078 1609 102 VAL CA C 61.717 0.20 1 1079 1609 102 VAL CB C 32.994 0.20 1 1080 1609 102 VAL CG1 C 20.634 0.20 2 1081 1609 102 VAL CG2 C 20.681 0.20 2 1082 1609 102 VAL N N 125.251 0.05 1 1083 1610 103 ILE H H 9.311 0.05 1 1084 1610 103 ILE HA H 4.332 0.05 1 1085 1610 103 ILE HB H 1.511 0.05 1 1086 1610 103 ILE HD1 H 0.136 0.05 1 1087 1610 103 ILE HG12 H 0.319 0.05 2 1088 1610 103 ILE HG13 H 1.105 0.05 2 1089 1610 103 ILE HG2 H 0.127 0.05 1 1090 1610 103 ILE C C 174.185 0.20 1 1091 1610 103 ILE CA C 61.154 0.20 1 1092 1610 103 ILE CB C 40.130 0.20 1 1093 1610 103 ILE CD1 C 13.912 0.20 1 1094 1610 103 ILE CG1 C 27.787 0.20 1 1095 1610 103 ILE CG2 C 18.568 0.20 1 1096 1610 103 ILE N N 129.270 0.05 1 1097 1611 104 SER H H 8.161 0.05 1 1098 1611 104 SER HA H 5.298 0.05 1 1099 1611 104 SER HB2 H 3.563 0.05 2 1100 1611 104 SER HB3 H 3.831 0.05 2 1101 1611 104 SER C C 172.248 0.20 1 1102 1611 104 SER CA C 57.581 0.20 1 1103 1611 104 SER CB C 64.498 0.20 1 1104 1611 104 SER N N 121.675 0.05 1 1105 1612 105 PHE H H 9.606 0.05 1 1106 1612 105 PHE HA H 5.340 0.05 1 1107 1612 105 PHE HB2 H 2.824 0.05 2 1108 1612 105 PHE HB3 H 2.397 0.05 2 1109 1612 105 PHE HD1 H 6.645 0.05 3 1110 1612 105 PHE HD2 H 6.645 0.05 3 1111 1612 105 PHE HE1 H 6.328 0.05 3 1112 1612 105 PHE HE2 H 6.328 0.05 3 1113 1612 105 PHE HZ H 6.664 0.05 1 1114 1612 105 PHE C C 174.178 0.20 1 1115 1612 105 PHE CA C 56.493 0.20 1 1116 1612 105 PHE CB C 39.359 0.20 1 1117 1612 105 PHE CD1 C 131.894 0.20 3 1118 1612 105 PHE CD2 C 131.894 0.20 3 1119 1612 105 PHE CE1 C 130.499 0.20 3 1120 1612 105 PHE CE2 C 130.499 0.20 3 1121 1612 105 PHE CZ C 128.145 0.20 1 1122 1612 105 PHE N N 124.403 0.05 1 1123 1613 106 VAL H H 8.315 0.05 1 1124 1613 106 VAL HA H 4.388 0.05 1 1125 1613 106 VAL HB H 1.303 0.05 1 1126 1613 106 VAL HG1 H 0.838 0.05 2 1127 1613 106 VAL HG2 H 0.611 0.05 2 1128 1613 106 VAL C C 175.246 0.20 1 1129 1613 106 VAL CA C 59.746 0.20 1 1130 1613 106 VAL CB C 35.426 0.20 1 1131 1613 106 VAL CG1 C 20.002 0.20 2 1132 1613 106 VAL CG2 C 21.365 0.20 2 1133 1613 106 VAL N N 120.181 0.05 1 1134 1614 107 CYS H H 9.135 0.05 1 1135 1614 107 CYS HA H 4.398 0.05 1 1136 1614 107 CYS HB2 H 2.792 0.05 2 1137 1614 107 CYS HB3 H 3.087 0.05 2 1138 1614 107 CYS C C 174.975 0.20 1 1139 1614 107 CYS CA C 57.158 0.20 1 1140 1614 107 CYS CB C 38.969 0.20 1 1141 1614 107 CYS N N 123.973 0.05 1 1142 1615 108 ARG H H 7.203 0.05 1 1143 1615 108 ARG HA H 4.750 0.05 1 1144 1615 108 ARG HB2 H 1.770 0.05 1 1145 1615 108 ARG HB3 H 1.770 0.05 1 1146 1615 108 ARG HD2 H 3.189 0.05 1 1147 1615 108 ARG HD3 H 3.189 0.05 1 1148 1615 108 ARG HE H 7.221 0.05 1 1149 1615 108 ARG HG2 H 1.642 0.05 1 1150 1615 108 ARG HG3 H 1.642 0.05 1 1151 1615 108 ARG CA C 53.834 0.20 1 1152 1615 108 ARG N N 130.380 0.05 1 1153 1615 108 ARG NE N 84.641 0.05 1 1154 1616 109 PRO HA H 4.343 0.05 1 1155 1616 109 PRO HB2 H 2.320 0.05 2 1156 1616 109 PRO HB3 H 2.035 0.05 2 1157 1616 109 PRO HD2 H 3.802 0.05 1 1158 1616 109 PRO HD3 H 3.802 0.05 1 1159 1616 109 PRO HG2 H 2.022 0.05 1 1160 1616 109 PRO HG3 H 2.022 0.05 1 1161 1616 109 PRO C C 176.776 0.20 1 1162 1616 109 PRO CA C 64.524 0.20 1 1163 1616 109 PRO CB C 32.164 0.20 1 1164 1616 109 PRO CD C 51.027 0.20 1 1165 1616 109 PRO CG C 27.340 0.20 1 1166 1617 110 GLU H H 8.034 0.05 1 1167 1617 110 GLU HA H 4.402 0.05 1 1168 1617 110 GLU HB2 H 2.034 0.05 2 1169 1617 110 GLU HB3 H 1.944 0.05 2 1170 1617 110 GLU HG2 H 2.314 0.05 1 1171 1617 110 GLU HG3 H 2.314 0.05 1 1172 1617 110 GLU C C 175.497 0.20 1 1173 1617 110 GLU CA C 56.037 0.20 1 1174 1617 110 GLU CB C 29.846 0.20 1 1175 1617 110 GLU CG C 34.991 0.20 1 1176 1617 110 GLU N N 117.021 0.05 1 1177 1618 111 ALA H H 8.275 0.05 1 1178 1618 111 ALA HA H 4.301 0.05 1 1179 1618 111 ALA HB H 1.444 0.05 1 1180 1618 111 ALA C C 177.488 0.20 1 1181 1618 111 ALA CA C 52.614 0.20 1 1182 1618 111 ALA CB C 19.382 0.20 1 1183 1618 111 ALA N N 125.040 0.05 1 1184 1619 112 GLY H H 8.124 0.05 1 1185 1619 112 GLY HA2 H 4.247 0.05 2 1186 1619 112 GLY HA3 H 4.124 0.05 2 1187 1619 112 GLY CA C 45.226 0.20 1 1188 1619 112 GLY N N 108.276 0.05 1 1189 1620 113 PRO HA H 4.528 0.05 1 1190 1620 113 PRO HB2 H 2.006 0.05 2 1191 1620 113 PRO HB3 H 2.347 0.05 2 1192 1620 113 PRO HD2 H 3.757 0.05 2 1193 1620 113 PRO HD3 H 3.654 0.05 2 1194 1620 113 PRO HG2 H 2.043 0.05 1 1195 1620 113 PRO HG3 H 2.043 0.05 1 1196 1620 113 PRO C C 177.495 0.20 1 1197 1620 113 PRO CA C 64.128 0.20 1 1198 1620 113 PRO CB C 32.339 0.20 1 1199 1620 113 PRO CD C 50.470 0.20 1 1200 1620 113 PRO CG C 27.289 0.20 1 1201 1621 114 THR H H 8.053 0.05 1 1202 1621 114 THR HA H 4.325 0.05 1 1203 1621 114 THR HB H 4.194 0.05 1 1204 1621 114 THR HG2 H 1.215 0.05 1 1205 1621 114 THR C C 174.519 0.20 1 1206 1621 114 THR CA C 62.129 0.20 1 1207 1621 114 THR CB C 69.423 0.20 1 1208 1621 114 THR CG2 C 21.897 0.20 1 1209 1621 114 THR N N 110.965 0.05 1 1210 1622 115 ASN H H 8.294 0.05 1 1211 1622 115 ASN HA H 5.132 0.05 1 1212 1622 115 ASN HB2 H 3.293 0.05 2 1213 1622 115 ASN HB3 H 3.111 0.05 2 1214 1622 115 ASN HD21 H 7.932 0.05 1 1215 1622 115 ASN HD22 H 7.111 0.05 1 1216 1622 115 ASN C C 173.298 0.20 1 1217 1622 115 ASN CA C 53.106 0.20 1 1218 1622 115 ASN CB C 38.298 0.20 1 1219 1622 115 ASN N N 123.343 0.05 1 1220 1622 115 ASN ND2 N 111.744 0.05 1 1221 1623 116 ARG H H 7.850 0.05 1 1222 1623 116 ARG HA H 3.945 0.05 1 1223 1623 116 ARG HB2 H 1.588 0.05 2 1224 1623 116 ARG HB3 H 1.800 0.05 2 1225 1623 116 ARG HD2 H 3.236 0.05 1 1226 1623 116 ARG HD3 H 3.236 0.05 1 1227 1623 116 ARG HE H 7.087 0.05 1 1228 1623 116 ARG HG2 H 1.588 0.05 2 1229 1623 116 ARG HG3 H 1.611 0.05 2 1230 1623 116 ARG CA C 52.963 0.20 1 1231 1623 116 ARG CB C 28.770 0.20 1 1232 1623 116 ARG CD C 43.954 0.20 1 1233 1623 116 ARG CG C 25.944 0.20 1 1234 1623 116 ARG N N 120.609 0.05 1 1235 1623 116 ARG NE N 85.286 0.05 1 1236 1624 117 PRO HA H 4.080 0.05 1 1237 1624 117 PRO C C 175.366 0.20 1 1238 1624 117 PRO CA C 62.222 0.20 1 1239 1624 117 PRO CB C 29.360 0.20 1 1240 1625 118 MET H H 8.572 0.05 1 1241 1625 118 MET HA H 4.829 0.05 1 1242 1625 118 MET HB2 H 1.970 0.05 2 1243 1625 118 MET HB3 H 1.946 0.05 2 1244 1625 118 MET HE H 2.060 0.05 1 1245 1625 118 MET HG2 H 2.503 0.05 2 1246 1625 118 MET HG3 H 2.542 0.05 2 1247 1625 118 MET C C 175.571 0.20 1 1248 1625 118 MET CA C 53.881 0.20 1 1249 1625 118 MET CB C 35.548 0.20 1 1250 1625 118 MET CE C 16.957 0.20 1 1251 1625 118 MET CG C 31.806 0.20 1 1252 1625 118 MET N N 117.230 0.05 1 1253 1626 119 LEU H H 9.137 0.05 1 1254 1626 119 LEU HA H 4.094 0.05 1 1255 1626 119 LEU HB2 H 1.035 0.05 2 1256 1626 119 LEU HB3 H 1.869 0.05 2 1257 1626 119 LEU HD1 H 0.184 0.05 2 1258 1626 119 LEU HD2 H 0.650 0.05 2 1259 1626 119 LEU HG H 1.059 0.05 1 1260 1626 119 LEU C C 175.375 0.20 1 1261 1626 119 LEU CA C 55.436 0.20 1 1262 1626 119 LEU CB C 41.579 0.20 1 1263 1626 119 LEU CD1 C 22.393 0.20 2 1264 1626 119 LEU CD2 C 27.187 0.20 2 1265 1626 119 LEU CG C 27.172 0.20 1 1266 1626 119 LEU N N 126.254 0.05 1 1267 1627 120 ILE H H 9.181 0.05 1 1268 1627 120 ILE HA H 4.207 0.05 1 1269 1627 120 ILE HB H 1.855 0.05 1 1270 1627 120 ILE HD1 H 0.710 0.05 1 1271 1627 120 ILE HG12 H 1.334 0.05 1 1272 1627 120 ILE HG13 H 1.334 0.05 1 1273 1627 120 ILE HG2 H 0.822 0.05 1 1274 1627 120 ILE C C 176.631 0.20 1 1275 1627 120 ILE CA C 61.004 0.20 1 1276 1627 120 ILE CB C 37.840 0.20 1 1277 1627 120 ILE CD1 C 10.941 0.20 1 1278 1627 120 ILE CG1 C 26.817 0.20 1 1279 1627 120 ILE CG2 C 17.642 0.20 1 1280 1627 120 ILE N N 128.187 0.05 1 1281 1628 121 SER H H 7.492 0.05 1 1282 1628 121 SER HA H 4.465 0.05 1 1283 1628 121 SER HB2 H 3.730 0.05 1 1284 1628 121 SER HB3 H 3.730 0.05 1 1285 1628 121 SER C C 170.934 0.20 1 1286 1628 121 SER CA C 58.192 0.20 1 1287 1628 121 SER CB C 65.150 0.20 1 1288 1628 121 SER N N 110.574 0.05 1 1289 1629 122 LEU H H 8.121 0.05 1 1290 1629 122 LEU HA H 5.012 0.05 1 1291 1629 122 LEU HB2 H 1.715 0.05 2 1292 1629 122 LEU HB3 H 1.154 0.05 2 1293 1629 122 LEU HD1 H 0.802 0.05 2 1294 1629 122 LEU HD2 H 0.816 0.05 2 1295 1629 122 LEU C C 175.188 0.20 1 1296 1629 122 LEU CA C 53.644 0.20 1 1297 1629 122 LEU CB C 44.413 0.20 1 1298 1629 122 LEU CD1 C 26.208 0.20 2 1299 1629 122 LEU CD2 C 23.215 0.20 2 1300 1629 122 LEU N N 122.592 0.05 1 1301 1630 123 ASP H H 9.551 0.05 1 1302 1630 123 ASP HA H 4.983 0.05 1 1303 1630 123 ASP HB2 H 2.858 0.05 2 1304 1630 123 ASP HB3 H 3.067 0.05 2 1305 1630 123 ASP C C 177.019 0.20 1 1306 1630 123 ASP CA C 53.226 0.20 1 1307 1630 123 ASP CB C 41.674 0.20 1 1308 1630 123 ASP N N 127.396 0.05 1 1309 1631 124 LYS H H 8.947 0.05 1 1310 1631 124 LYS HA H 3.790 0.05 1 1311 1631 124 LYS HB2 H 1.833 0.05 1 1312 1631 124 LYS HB3 H 1.833 0.05 1 1313 1631 124 LYS HD2 H 1.700 0.05 1 1314 1631 124 LYS HD3 H 1.700 0.05 1 1315 1631 124 LYS HG2 H 1.485 0.05 1 1316 1631 124 LYS HG3 H 1.485 0.05 1 1317 1631 124 LYS C C 177.505 0.20 1 1318 1631 124 LYS CA C 59.871 0.20 1 1319 1631 124 LYS CB C 31.987 0.20 1 1320 1631 124 LYS CD C 28.833 0.20 1 1321 1631 124 LYS CG C 26.007 0.20 1 1322 1631 124 LYS N N 125.917 0.05 1 1323 1632 125 GLN H H 8.424 0.05 1 1324 1632 125 GLN HA H 4.130 0.05 1 1325 1632 125 GLN HB2 H 2.308 0.05 2 1326 1632 125 GLN HB3 H 2.169 0.05 2 1327 1632 125 GLN HE21 H 6.893 0.05 1 1328 1632 125 GLN HE22 H 7.543 0.05 1 1329 1632 125 GLN HG2 H 2.445 0.05 2 1330 1632 125 GLN HG3 H 2.446 0.05 2 1331 1632 125 GLN C C 177.895 0.20 1 1332 1632 125 GLN CA C 58.732 0.20 1 1333 1632 125 GLN CB C 28.778 0.20 1 1334 1632 125 GLN CG C 34.402 0.20 1 1335 1632 125 GLN N N 116.017 0.05 1 1336 1632 125 GLN NE2 N 111.955 0.05 1 1337 1633 126 THR H H 7.258 0.05 1 1338 1633 126 THR HA H 4.396 0.05 1 1339 1633 126 THR HB H 4.418 0.05 1 1340 1633 126 THR HG2 H 1.166 0.05 1 1341 1633 126 THR C C 174.212 0.20 1 1342 1633 126 THR CA C 60.927 0.20 1 1343 1633 126 THR CB C 70.470 0.20 1 1344 1633 126 THR CG2 C 21.366 0.20 1 1345 1633 126 THR N N 104.281 0.05 1 1346 1634 127 CYS H H 7.869 0.05 1 1347 1634 127 CYS HA H 3.571 0.05 1 1348 1634 127 CYS HB2 H 3.006 0.05 2 1349 1634 127 CYS HB3 H 3.388 0.05 2 1350 1634 127 CYS C C 171.761 0.20 1 1351 1634 127 CYS CA C 57.607 0.20 1 1352 1634 127 CYS CB C 41.570 0.20 1 1353 1634 127 CYS N N 116.466 0.05 1 1354 1635 128 THR H H 7.454 0.05 1 1355 1635 128 THR HA H 4.988 0.05 1 1356 1635 128 THR HB H 3.621 0.05 1 1357 1635 128 THR HG2 H 0.319 0.05 1 1358 1635 128 THR C C 172.494 0.20 1 1359 1635 128 THR CA C 62.365 0.20 1 1360 1635 128 THR CB C 70.034 0.20 1 1361 1635 128 THR CG2 C 22.345 0.20 1 1362 1635 128 THR N N 110.684 0.05 1 1363 1636 129 LEU H H 9.318 0.05 1 1364 1636 129 LEU HA H 4.612 0.05 1 1365 1636 129 LEU HB2 H 1.159 0.05 2 1366 1636 129 LEU HB3 H 1.985 0.05 2 1367 1636 129 LEU HD1 H 1.089 0.05 2 1368 1636 129 LEU HD2 H 0.973 0.05 2 1369 1636 129 LEU HG H 1.630 0.05 1 1370 1636 129 LEU C C 174.092 0.20 1 1371 1636 129 LEU CA C 56.483 0.20 1 1372 1636 129 LEU CB C 43.412 0.20 1 1373 1636 129 LEU CD1 C 24.659 0.20 2 1374 1636 129 LEU CD2 C 25.972 0.20 2 1375 1636 129 LEU CG C 31.943 0.20 1 1376 1636 129 LEU N N 130.310 0.05 1 1377 1637 130 PHE H H 8.558 0.05 1 1378 1637 130 PHE HA H 5.135 0.05 1 1379 1637 130 PHE HB2 H 2.846 0.05 1 1380 1637 130 PHE HB3 H 2.846 0.05 1 1381 1637 130 PHE HD1 H 7.154 0.05 3 1382 1637 130 PHE HD2 H 7.154 0.05 3 1383 1637 130 PHE HE1 H 7.219 0.05 3 1384 1637 130 PHE HE2 H 7.219 0.05 3 1385 1637 130 PHE C C 174.875 0.20 1 1386 1637 130 PHE CA C 57.535 0.20 1 1387 1637 130 PHE CB C 40.427 0.20 1 1388 1637 130 PHE CD1 C 131.965 0.20 3 1389 1637 130 PHE CD2 C 131.965 0.20 3 1390 1637 130 PHE N N 118.979 0.05 1 1391 1638 131 PHE H H 9.458 0.05 1 1392 1638 131 PHE HA H 5.701 0.05 1 1393 1638 131 PHE HB2 H 3.059 0.05 2 1394 1638 131 PHE HB3 H 2.658 0.05 2 1395 1638 131 PHE HD1 H 6.805 0.05 3 1396 1638 131 PHE HD2 H 6.805 0.05 3 1397 1638 131 PHE HE1 H 7.062 0.05 3 1398 1638 131 PHE HE2 H 7.062 0.05 3 1399 1638 131 PHE HZ H 6.929 0.05 1 1400 1638 131 PHE C C 176.025 0.20 1 1401 1638 131 PHE CA C 56.042 0.20 1 1402 1638 131 PHE CB C 43.228 0.20 1 1403 1638 131 PHE CD1 C 131.757 0.20 3 1404 1638 131 PHE CD2 C 131.757 0.20 3 1405 1638 131 PHE N N 120.108 0.05 1 1406 1639 132 SER H H 9.287 0.05 1 1407 1639 132 SER HA H 5.440 0.05 1 1408 1639 132 SER HB2 H 3.646 0.05 2 1409 1639 132 SER HB3 H 3.658 0.05 2 1410 1639 132 SER C C 173.477 0.20 1 1411 1639 132 SER CA C 56.795 0.20 1 1412 1639 132 SER CB C 66.299 0.20 1 1413 1639 132 SER N N 116.875 0.05 1 1414 1640 133 TRP H H 8.992 0.05 1 1415 1640 133 TRP HA H 4.874 0.05 1 1416 1640 133 TRP HB2 H 2.885 0.05 1 1417 1640 133 TRP HB3 H 2.885 0.05 1 1418 1640 133 TRP HD1 H 6.887 0.05 1 1419 1640 133 TRP HE1 H 9.610 0.05 1 1420 1640 133 TRP HE3 H 7.339 0.05 1 1421 1640 133 TRP HZ2 H 6.765 0.05 1 1422 1640 133 TRP HZ3 H 6.414 0.05 1 1423 1640 133 TRP C C 175.473 0.20 1 1424 1640 133 TRP CA C 55.625 0.20 1 1425 1640 133 TRP CB C 31.682 0.20 1 1426 1640 133 TRP CD1 C 122.751 0.20 1 1427 1640 133 TRP CE3 C 120.432 0.20 1 1428 1640 133 TRP CZ2 C 114.421 0.20 1 1429 1640 133 TRP CZ3 C 120.630 0.20 1 1430 1640 133 TRP N N 129.224 0.05 1 1431 1640 133 TRP NE1 N 126.953 0.05 1 1432 1641 134 HIS H H 9.305 0.05 1 1433 1641 134 HIS HA H 5.491 0.05 1 1434 1641 134 HIS HB2 H 3.338 0.05 2 1435 1641 134 HIS HB3 H 2.947 0.05 2 1436 1641 134 HIS HD2 H 7.146 0.05 1 1437 1641 134 HIS C C 173.218 0.20 1 1438 1641 134 HIS CA C 55.150 0.20 1 1439 1641 134 HIS CB C 28.605 0.20 1 1440 1641 134 HIS CD2 C 119.387 0.20 1 1441 1641 134 HIS N N 127.049 0.05 1 1442 1642 135 THR H H 8.967 0.05 1 1443 1642 135 THR HA H 5.439 0.05 1 1444 1642 135 THR HB H 4.257 0.05 1 1445 1642 135 THR HG2 H 1.035 0.05 1 1446 1642 135 THR CA C 56.654 0.20 1 1447 1642 135 THR CB C 69.702 0.20 1 1448 1642 135 THR CG2 C 19.965 0.20 1 1449 1642 135 THR N N 119.861 0.05 1 1450 1643 136 PRO HA H 4.765 0.05 1 1451 1643 136 PRO HB2 H 2.008 0.05 2 1452 1643 136 PRO HB3 H 2.504 0.05 2 1453 1643 136 PRO HD2 H 3.678 0.05 2 1454 1643 136 PRO HD3 H 3.646 0.05 2 1455 1643 136 PRO HG2 H 2.336 0.05 1 1456 1643 136 PRO HG3 H 2.336 0.05 1 1457 1643 136 PRO C C 179.339 0.20 1 1458 1643 136 PRO CA C 64.592 0.20 1 1459 1643 136 PRO CB C 32.205 0.20 1 1460 1643 136 PRO CD C 50.330 0.20 1 1461 1643 136 PRO CG C 27.438 0.20 1 1462 1644 137 LEU H H 8.405 0.05 1 1463 1644 137 LEU HA H 4.166 0.05 1 1464 1644 137 LEU HB2 H 1.574 0.05 2 1465 1644 137 LEU HB3 H 1.407 0.05 2 1466 1644 137 LEU HD1 H 0.914 0.05 2 1467 1644 137 LEU HD2 H 0.720 0.05 2 1468 1644 137 LEU HG H 1.401 0.05 1 1469 1644 137 LEU C C 176.860 0.20 1 1470 1644 137 LEU CA C 56.622 0.20 1 1471 1644 137 LEU CB C 41.985 0.20 1 1472 1644 137 LEU CD1 C 22.221 0.20 2 1473 1644 137 LEU CD2 C 25.636 0.20 2 1474 1644 137 LEU N N 118.512 0.05 1 1475 1645 138 ALA H H 7.130 0.05 1 1476 1645 138 ALA HA H 4.506 0.05 1 1477 1645 138 ALA HB H 1.119 0.05 1 1478 1645 138 ALA C C 175.012 0.20 1 1479 1645 138 ALA CA C 51.404 0.20 1 1480 1645 138 ALA CB C 19.059 0.20 1 1481 1645 138 ALA N N 116.660 0.05 1 1482 1646 139 CYS H H 7.535 0.05 1 1483 1646 139 CYS HA H 4.873 0.05 1 1484 1646 139 CYS HB2 H 3.272 0.05 2 1485 1646 139 CYS HB3 H 3.022 0.05 2 1486 1646 139 CYS C C 173.382 0.20 1 1487 1646 139 CYS CA C 54.374 0.20 1 1488 1646 139 CYS CB C 42.500 0.20 1 1489 1646 139 CYS N N 116.891 0.05 1 1490 1647 140 GLU H H 8.876 0.05 1 1491 1647 140 GLU HA H 4.215 0.05 1 1492 1647 140 GLU HB2 H 1.580 0.05 2 1493 1647 140 GLU HB3 H 1.566 0.05 2 1494 1647 140 GLU HG2 H 2.059 0.05 2 1495 1647 140 GLU HG3 H 1.831 0.05 2 1496 1647 140 GLU CA C 53.713 0.20 1 1497 1647 140 GLU CB C 30.340 0.20 1 1498 1647 140 GLU CG C 35.266 0.20 1 1499 1647 140 GLU N N 122.731 0.05 1 1500 1648 141 PRO HA H 4.365 0.05 1 1501 1648 141 PRO HB2 H 2.233 0.05 2 1502 1648 141 PRO HB3 H 2.231 0.05 2 1503 1648 141 PRO HD2 H 3.198 0.05 2 1504 1648 141 PRO HD3 H 3.304 0.05 2 1505 1648 141 PRO HG2 H 1.890 0.05 1 1506 1648 141 PRO HG3 H 1.890 0.05 1 1507 1648 141 PRO C C 176.052 0.20 1 1508 1648 141 PRO CA C 63.563 0.20 1 1509 1648 141 PRO CB C 31.936 0.20 1 1510 1648 141 PRO CD C 50.551 0.20 1 1511 1648 141 PRO CG C 27.464 0.20 1 1512 1649 142 GLU H H 8.076 0.05 1 1513 1649 142 GLU HA H 4.195 0.05 1 1514 1649 142 GLU HB2 H 1.904 0.05 2 1515 1649 142 GLU HB3 H 2.103 0.05 2 1516 1649 142 GLU HG2 H 2.409 0.05 1 1517 1649 142 GLU HG3 H 2.409 0.05 1 1518 1649 142 GLU CA C 57.312 0.20 1 1519 1649 142 GLU CB C 30.247 0.20 1 1520 1649 142 GLU CG C 34.114 0.20 1 1521 1649 142 GLU N N 124.908 0.05 1 stop_ save_ save_assigned_bound_E4_chem_shift_list_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $Analysis stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D 1H-15N NOESY' '3D HNCO' '3D CBCA(CO)NH' '3D C(CO)NH' '3D HNCA' '3D HCCH-TOCSY' '3D HN(CO)CA' '3D H(CCO)NH' '2D 1H-13C HSQC' '3D HNCACB' '2D f2 filter noesy' '2D CN filtered noesy' '2D CN filtered tocsy' stop_ loop_ _Sample_label $sample_3 $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name IGF2 _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 1 1 ALA HA H 4.070 0.05 1 2 1 1 ALA HB H 1.502 0.05 1 3 1 1 ALA C C 173.793 0.20 1 4 1 1 ALA CA C 51.321 0.20 1 5 1 1 ALA CB C 19.061 0.20 1 6 2 2 TYR H H 8.567 0.05 1 7 2 2 TYR HA H 4.597 0.05 1 8 2 2 TYR HB2 H 2.948 0.05 2 9 2 2 TYR HB3 H 3.007 0.05 2 10 2 2 TYR HD1 H 7.116 0.05 3 11 2 2 TYR HD2 H 7.116 0.05 3 12 2 2 TYR HE1 H 6.813 0.05 3 13 2 2 TYR HE2 H 6.813 0.05 3 14 2 2 TYR C C 175.394 0.20 1 15 2 2 TYR CA C 57.681 0.20 1 16 2 2 TYR CB C 38.476 0.20 1 17 2 2 TYR N N 120.861 0.05 1 18 3 3 ARG H H 8.111 0.05 1 19 3 3 ARG HA H 4.569 0.05 1 20 3 3 ARG HB2 H 1.645 0.05 2 21 3 3 ARG HB3 H 1.767 0.05 2 22 3 3 ARG HD2 H 3.171 0.05 1 23 3 3 ARG HD3 H 3.171 0.05 1 24 3 3 ARG HE H 7.131 0.05 1 25 3 3 ARG HG2 H 1.575 0.05 1 26 3 3 ARG HG3 H 1.575 0.05 1 27 3 3 ARG C C 173.749 0.20 1 28 3 3 ARG CA C 52.907 0.20 1 29 3 3 ARG CB C 30.494 0.20 1 30 3 3 ARG CD C 43.357 0.20 1 31 3 3 ARG CG C 25.969 0.20 1 32 3 3 ARG N N 125.783 0.05 1 33 3 3 ARG NE N 85.090 0.05 1 34 4 4 PRO HA H 4.353 0.05 1 35 4 4 PRO HB2 H 1.985 0.05 2 36 4 4 PRO HB3 H 2.305 0.05 2 37 4 4 PRO HD2 H 3.543 0.05 2 38 4 4 PRO HD3 H 3.575 0.05 2 39 4 4 PRO HG2 H 1.981 0.05 1 40 4 4 PRO HG3 H 1.981 0.05 1 41 4 4 PRO C C 177.124 0.20 1 42 4 4 PRO CA C 62.631 0.20 1 43 4 4 PRO CB C 31.718 0.20 1 44 4 4 PRO CD C 50.119 0.20 1 45 4 4 PRO CG C 26.856 0.20 1 46 5 5 SER H H 8.203 0.05 1 47 5 5 SER HA H 4.422 0.05 1 48 5 5 SER HB2 H 3.896 0.05 1 49 5 5 SER HB3 H 3.896 0.05 1 50 5 5 SER C C 174.744 0.20 1 51 5 5 SER CA C 58.120 0.20 1 52 5 5 SER CB C 63.440 0.20 1 53 5 5 SER N N 115.351 0.05 1 54 6 6 GLU H H 8.424 0.05 1 55 6 6 GLU HA H 4.478 0.05 1 56 6 6 GLU HB2 H 2.137 0.05 2 57 6 6 GLU HB3 H 2.006 0.05 2 58 6 6 GLU HG2 H 2.358 0.05 1 59 6 6 GLU HG3 H 2.358 0.05 1 60 6 6 GLU C C 176.756 0.20 1 61 6 6 GLU CA C 55.695 0.20 1 62 6 6 GLU CB C 29.049 0.20 1 63 6 6 GLU CG C 33.614 0.20 1 64 6 6 GLU N N 122.231 0.05 1 65 7 7 THR H H 7.948 0.05 1 66 7 7 THR HA H 4.493 0.05 1 67 7 7 THR HB H 4.519 0.05 1 68 7 7 THR HG2 H 0.956 0.05 1 69 7 7 THR C C 173.341 0.20 1 70 7 7 THR CA C 60.512 0.20 1 71 7 7 THR CB C 70.213 0.20 1 72 7 7 THR CG2 C 22.024 0.20 1 73 7 7 THR N N 114.323 0.05 1 74 8 8 LEU H H 8.609 0.05 1 75 8 8 LEU HA H 4.665 0.05 1 76 8 8 LEU C C 175.631 0.20 1 77 8 8 LEU CA C 54.029 0.20 1 78 8 8 LEU N N 124.855 0.05 1 79 9 9 CYS H H 8.571 0.05 1 80 9 9 CYS C C 175.789 0.20 1 81 10 10 GLY H H 8.974 0.05 1 82 10 10 GLY HA2 H 3.919 0.05 2 83 10 10 GLY HA3 H 3.821 0.05 2 84 10 10 GLY C C 176.327 0.20 1 85 10 10 GLY CA C 46.463 0.20 1 86 10 10 GLY N N 110.312 0.05 1 87 11 11 GLY H H 8.946 0.05 1 88 11 11 GLY HA2 H 3.792 0.05 2 89 11 11 GLY HA3 H 3.895 0.05 2 90 11 11 GLY C C 175.970 0.20 1 91 11 11 GLY CA C 46.875 0.20 1 92 11 11 GLY N N 113.451 0.05 1 93 12 12 GLU H H 8.647 0.05 1 94 12 12 GLU HA H 4.087 0.05 1 95 12 12 GLU HG2 H 2.625 0.05 2 96 12 12 GLU HG3 H 2.515 0.05 2 97 12 12 GLU C C 179.901 0.20 1 98 12 12 GLU CA C 59.448 0.20 1 99 12 12 GLU CG C 35.124 0.20 1 100 12 12 GLU N N 121.253 0.05 1 101 13 13 LEU H H 7.121 0.05 1 102 13 13 LEU HA H 3.790 0.05 1 103 13 13 LEU C C 177.725 0.20 1 104 13 13 LEU CA C 57.928 0.20 1 105 13 13 LEU N N 123.948 0.05 1 106 14 14 VAL H H 7.447 0.05 1 107 14 14 VAL HA H 3.349 0.05 1 108 14 14 VAL HB H 2.150 0.05 1 109 14 14 VAL HG1 H 1.118 0.05 1 110 14 14 VAL HG2 H 1.118 0.05 1 111 14 14 VAL C C 178.231 0.20 1 112 14 14 VAL CA C 66.991 0.20 1 113 14 14 VAL CB C 30.954 0.20 1 114 14 14 VAL N N 118.791 0.05 1 115 15 15 ASP H H 8.628 0.05 1 116 15 15 ASP CA C 56.870 0.20 1 117 15 15 ASP CB C 41.334 0.20 1 118 15 15 ASP N N 118.158 0.05 1 119 17 17 LEU H H 8.206 0.05 1 120 17 17 LEU HA H 3.651 0.05 1 121 17 17 LEU HB2 H 1.156 0.05 2 122 17 17 LEU HB3 H 1.035 0.05 2 123 17 17 LEU HD1 H 0.325 0.05 2 124 17 17 LEU HD2 H 0.477 0.05 2 125 17 17 LEU HG H 1.029 0.05 1 126 17 17 LEU CA C 58.133 0.20 1 127 17 17 LEU CB C 40.930 0.20 1 128 17 17 LEU CD1 C 24.992 0.20 2 129 17 17 LEU CD2 C 23.435 0.20 2 130 17 17 LEU CG C 27.004 0.20 1 131 17 17 LEU N N 124.617 0.05 1 132 18 18 GLN H H 8.206 0.05 1 133 18 18 GLN HA H 4.215 0.05 1 134 18 18 GLN HB2 H 2.410 0.05 2 135 18 18 GLN HB3 H 2.361 0.05 2 136 18 18 GLN HE21 H 7.327 0.05 1 137 18 18 GLN HE22 H 6.969 0.05 1 138 18 18 GLN HG2 H 2.786 0.05 2 139 18 18 GLN HG3 H 2.606 0.05 2 140 18 18 GLN C C 178.961 0.20 1 141 18 18 GLN CA C 58.660 0.20 1 142 18 18 GLN CB C 28.279 0.20 1 143 18 18 GLN CG C 34.475 0.20 1 144 18 18 GLN N N 116.592 0.05 1 145 18 18 GLN NE2 N 111.110 0.05 1 146 19 19 PHE H H 7.668 0.05 1 147 19 19 PHE HD1 H 5.617 0.05 3 148 19 19 PHE HD2 H 5.617 0.05 3 149 19 19 PHE HE1 H 6.411 0.05 3 150 19 19 PHE HE2 H 6.411 0.05 3 151 19 19 PHE HZ H 6.535 0.05 1 152 19 19 PHE CA C 59.024 0.20 1 153 19 19 PHE CB C 39.162 0.20 1 154 19 19 PHE N N 119.736 0.05 1 155 20 20 VAL H H 8.539 0.05 1 156 20 20 VAL HA H 3.176 0.05 1 157 20 20 VAL HB H 1.891 0.05 1 158 20 20 VAL HG1 H 0.798 0.05 2 159 20 20 VAL HG2 H 0.974 0.05 2 160 20 20 VAL C C 178.477 0.20 1 161 20 20 VAL CA C 65.047 0.20 1 162 20 20 VAL CB C 32.047 0.20 1 163 20 20 VAL CG1 C 20.697 0.20 2 164 20 20 VAL CG2 C 23.313 0.20 2 165 20 20 VAL N N 117.673 0.05 1 166 21 21 CYS H H 8.439 0.05 1 167 21 21 CYS HA H 4.779 0.05 1 168 21 21 CYS HB2 H 2.884 0.05 2 169 21 21 CYS HB3 H 3.348 0.05 2 170 21 21 CYS C C 177.684 0.20 1 171 21 21 CYS CA C 53.385 0.20 1 172 21 21 CYS CB C 35.843 0.20 1 173 21 21 CYS N N 114.608 0.05 1 174 22 22 GLY H H 7.838 0.05 1 175 22 22 GLY C C 176.221 0.20 1 176 22 22 GLY CA C 46.665 0.20 1 177 22 22 GLY N N 110.285 0.05 1 178 23 23 ASP H H 9.287 0.05 1 179 23 23 ASP HA H 4.681 0.05 1 180 23 23 ASP HB2 H 2.533 0.05 2 181 23 23 ASP HB3 H 2.943 0.05 2 182 23 23 ASP CA C 55.753 0.20 1 183 23 23 ASP CB C 40.775 0.20 1 184 23 23 ASP N N 126.341 0.05 1 185 24 24 ARG H H 8.203 0.05 1 186 24 24 ARG HA H 4.048 0.05 1 187 24 24 ARG HB2 H 2.163 0.05 1 188 24 24 ARG HB3 H 2.163 0.05 1 189 24 24 ARG HD2 H 3.368 0.05 2 190 24 24 ARG HD3 H 3.370 0.05 2 191 24 24 ARG HE H 6.944 0.05 1 192 24 24 ARG HG2 H 1.939 0.05 2 193 24 24 ARG HG3 H 1.731 0.05 2 194 24 24 ARG C C 178.412 0.20 1 195 24 24 ARG CA C 58.065 0.20 1 196 24 24 ARG CB C 30.932 0.20 1 197 24 24 ARG CD C 44.571 0.20 1 198 24 24 ARG N N 118.199 0.05 1 199 24 24 ARG NE N 83.887 0.05 1 200 25 25 GLY H H 7.179 0.05 1 201 25 25 GLY HA2 H 3.727 0.05 2 202 25 25 GLY HA3 H 4.051 0.05 2 203 25 25 GLY C C 172.688 0.20 1 204 25 25 GLY CA C 43.794 0.20 1 205 25 25 GLY N N 102.139 0.05 1 206 26 26 PHE H H 7.493 0.05 1 207 26 26 PHE HA H 5.242 0.05 1 208 26 26 PHE HB2 H 2.863 0.05 2 209 26 26 PHE HB3 H 3.336 0.05 2 210 26 26 PHE HD1 H 6.636 0.05 3 211 26 26 PHE HD2 H 6.636 0.05 3 212 26 26 PHE HE1 H 6.987 0.05 3 213 26 26 PHE HE2 H 6.987 0.05 3 214 26 26 PHE HZ H 7.228 0.05 1 215 26 26 PHE C C 176.775 0.20 1 216 26 26 PHE CA C 55.660 0.20 1 217 26 26 PHE CB C 41.969 0.20 1 218 26 26 PHE N N 112.531 0.05 1 219 27 27 TYR H H 8.709 0.05 1 220 27 27 TYR HA H 4.951 0.05 1 221 27 27 TYR HB2 H 3.464 0.05 2 222 27 27 TYR HB3 H 2.978 0.05 2 223 27 27 TYR HD1 H 7.134 0.05 3 224 27 27 TYR HD2 H 7.134 0.05 3 225 27 27 TYR HE1 H 6.805 0.05 3 226 27 27 TYR HE2 H 6.805 0.05 3 227 27 27 TYR C C 174.819 0.20 1 228 27 27 TYR CA C 55.095 0.20 1 229 27 27 TYR CB C 41.061 0.20 1 230 27 27 TYR N N 118.464 0.05 1 231 28 28 PHE H H 8.800 0.05 1 232 28 28 PHE HA H 4.845 0.05 1 233 28 28 PHE HB2 H 3.338 0.05 2 234 28 28 PHE HB3 H 3.107 0.05 2 235 28 28 PHE HD1 H 7.295 0.05 3 236 28 28 PHE HD2 H 7.295 0.05 3 237 28 28 PHE HE1 H 6.981 0.05 3 238 28 28 PHE HE2 H 6.981 0.05 3 239 28 28 PHE C C 177.586 0.20 1 240 28 28 PHE CA C 58.374 0.20 1 241 28 28 PHE CB C 39.767 0.20 1 242 28 28 PHE N N 115.456 0.05 1 243 29 29 SER H H 8.046 0.05 1 244 29 29 SER HA H 5.087 0.05 1 245 29 29 SER HB2 H 3.892 0.05 1 246 29 29 SER HB3 H 3.892 0.05 1 247 29 29 SER C C 178.151 0.20 1 248 29 29 SER CA C 57.506 0.20 1 249 29 29 SER CB C 63.601 0.20 1 250 29 29 SER N N 113.540 0.05 1 251 30 30 ARG H H 8.606 0.05 1 252 30 30 ARG HA H 4.348 0.05 1 253 30 30 ARG HB2 H 1.740 0.05 2 254 30 30 ARG HB3 H 1.573 0.05 2 255 30 30 ARG HD2 H 2.868 0.05 2 256 30 30 ARG HD3 H 2.863 0.05 2 257 30 30 ARG HE H 6.785 0.05 1 258 30 30 ARG HG2 H 1.386 0.05 2 259 30 30 ARG HG3 H 1.396 0.05 2 260 30 30 ARG CA C 57.083 0.20 1 261 30 30 ARG CB C 30.087 0.20 1 262 30 30 ARG CD C 43.315 0.20 1 263 30 30 ARG CG C 26.026 0.20 1 264 30 30 ARG N N 122.310 0.05 1 265 30 30 ARG NE N 84.269 0.05 1 266 31 31 PRO HB2 H 1.914 0.05 2 267 31 31 PRO HB3 H 2.122 0.05 2 268 31 31 PRO HD2 H 3.437 0.05 2 269 31 31 PRO HD3 H 3.500 0.05 2 270 31 31 PRO HG2 H 1.799 0.05 1 271 31 31 PRO HG3 H 1.799 0.05 1 272 31 31 PRO C C 174.822 0.20 1 273 31 31 PRO CA C 62.626 0.20 1 274 31 31 PRO CB C 31.658 0.20 1 275 31 31 PRO CD C 49.880 0.20 1 276 31 31 PRO CG C 26.881 0.20 1 277 32 32 ALA H H 8.350 0.05 1 278 32 32 ALA HA H 4.194 0.05 1 279 32 32 ALA HB H 1.362 0.05 1 280 32 32 ALA C C 177.921 0.20 1 281 32 32 ALA CA C 52.466 0.20 1 282 32 32 ALA CB C 19.112 0.20 1 283 32 32 ALA N N 123.674 0.05 1 284 33 33 SER H H 8.184 0.05 1 285 33 33 SER HA H 4.522 0.05 1 286 33 33 SER HB2 H 3.836 0.05 2 287 33 33 SER HB3 H 4.005 0.05 2 288 33 33 SER C C 175.040 0.20 1 289 33 33 SER CA C 57.382 0.20 1 290 33 33 SER CB C 64.035 0.20 1 291 33 33 SER N N 113.859 0.05 1 292 34 34 ARG H H 8.365 0.05 1 293 34 34 ARG HA H 4.260 0.05 1 294 34 34 ARG HB2 H 1.853 0.05 1 295 34 34 ARG HB3 H 1.853 0.05 1 296 34 34 ARG HD2 H 3.195 0.05 1 297 34 34 ARG HD3 H 3.195 0.05 1 298 34 34 ARG HE H 7.217 0.05 1 299 34 34 ARG HG2 H 1.648 0.05 1 300 34 34 ARG HG3 H 1.648 0.05 1 301 34 34 ARG C C 177.106 0.20 1 302 34 34 ARG CA C 56.836 0.20 1 303 34 34 ARG CB C 29.939 0.20 1 304 34 34 ARG CD C 42.905 0.20 1 305 34 34 ARG CG C 26.921 0.20 1 306 34 34 ARG N N 120.616 0.05 1 307 34 34 ARG NE N 84.838 0.05 1 308 35 35 VAL H H 7.806 0.05 1 309 35 35 VAL HA H 4.179 0.05 1 310 35 35 VAL HB H 2.149 0.05 1 311 35 35 VAL HG1 H 0.893 0.05 2 312 35 35 VAL HG2 H 0.888 0.05 2 313 35 35 VAL C C 176.450 0.20 1 314 35 35 VAL CA C 61.842 0.20 1 315 35 35 VAL CB C 32.020 0.20 1 316 35 35 VAL CG1 C 20.729 0.20 2 317 35 35 VAL CG2 C 19.692 0.20 2 318 35 35 VAL N N 115.603 0.05 1 319 36 36 SER H H 7.869 0.05 1 320 36 36 SER HA H 4.489 0.05 1 321 36 36 SER HB2 H 3.871 0.05 2 322 36 36 SER HB3 H 3.835 0.05 2 323 36 36 SER C C 174.933 0.20 1 324 36 36 SER CA C 57.602 0.20 1 325 36 36 SER CB C 63.635 0.20 1 326 36 36 SER N N 117.127 0.05 1 327 37 37 ARG H H 8.307 0.05 1 328 37 37 ARG HA H 4.320 0.05 1 329 37 37 ARG HB2 H 1.895 0.05 1 330 37 37 ARG HB3 H 1.895 0.05 1 331 37 37 ARG HD2 H 3.195 0.05 1 332 37 37 ARG HD3 H 3.195 0.05 1 333 37 37 ARG HE H 7.180 0.05 1 334 37 37 ARG HG2 H 1.631 0.05 2 335 37 37 ARG HG3 H 1.633 0.05 2 336 37 37 ARG C C 176.505 0.20 1 337 37 37 ARG CA C 56.152 0.20 1 338 37 37 ARG CB C 29.971 0.20 1 339 37 37 ARG CD C 42.885 0.20 1 340 37 37 ARG CG C 26.779 0.20 1 341 37 37 ARG N N 122.005 0.05 1 342 37 37 ARG NE N 84.852 0.05 1 343 38 38 ARG H H 8.130 0.05 1 344 38 38 ARG HA H 4.390 0.05 1 345 38 38 ARG HB2 H 1.743 0.05 2 346 38 38 ARG HB3 H 1.847 0.05 2 347 38 38 ARG HD2 H 3.187 0.05 1 348 38 38 ARG HD3 H 3.187 0.05 1 349 38 38 ARG HE H 7.170 0.05 1 350 38 38 ARG HG2 H 1.628 0.05 1 351 38 38 ARG HG3 H 1.628 0.05 1 352 38 38 ARG CA C 55.553 0.20 1 353 38 38 ARG CB C 30.511 0.20 1 354 38 38 ARG CD C 43.322 0.20 1 355 38 38 ARG CG C 26.947 0.20 1 356 38 38 ARG N N 119.930 0.05 1 357 38 38 ARG NE N 84.659 0.05 1 358 39 39 SER H H 8.344 0.05 1 359 39 39 SER HA H 4.537 0.05 1 360 39 39 SER HB2 H 3.857 0.05 1 361 39 39 SER HB3 H 3.857 0.05 1 362 39 39 SER C C 174.531 0.20 1 363 39 39 SER CA C 57.813 0.20 1 364 39 39 SER CB C 63.871 0.20 1 365 39 39 SER N N 119.264 0.05 1 366 40 40 ARG H H 8.598 0.05 1 367 40 40 ARG HA H 4.585 0.05 1 368 40 40 ARG HB2 H 1.903 0.05 2 369 40 40 ARG HB3 H 1.722 0.05 2 370 40 40 ARG HD2 H 3.147 0.05 1 371 40 40 ARG HD3 H 3.147 0.05 1 372 40 40 ARG HE H 7.415 0.05 1 373 40 40 ARG HG2 H 1.662 0.05 1 374 40 40 ARG HG3 H 1.662 0.05 1 375 40 40 ARG C C 176.774 0.20 1 376 40 40 ARG CA C 55.238 0.20 1 377 40 40 ARG CB C 31.606 0.20 1 378 40 40 ARG CD C 43.021 0.20 1 379 40 40 ARG CG C 26.791 0.20 1 380 40 40 ARG N N 122.442 0.05 1 381 40 40 ARG NE N 84.880 0.05 1 382 41 41 GLY H H 8.543 0.05 1 383 41 41 GLY HA2 H 4.191 0.05 1 384 41 41 GLY HA3 H 4.191 0.05 1 385 41 41 GLY C C 174.229 0.20 1 386 41 41 GLY CA C 44.839 0.20 1 387 41 41 GLY N N 111.116 0.05 1 388 42 42 ILE H H 7.898 0.05 1 389 42 42 ILE HA H 3.579 0.05 1 390 42 42 ILE HG12 H 0.790 0.05 2 391 42 42 ILE HG13 H 0.941 0.05 2 392 42 42 ILE CB C 38.528 0.20 1 393 42 42 ILE CG1 C 29.448 0.20 1 394 42 42 ILE N N 119.947 0.05 1 395 43 43 VAL H H 8.197 0.05 1 396 43 43 VAL HA H 3.378 0.05 1 397 43 43 VAL HB H 1.857 0.05 1 398 43 43 VAL HG1 H 0.916 0.05 2 399 43 43 VAL HG2 H 0.557 0.05 2 400 43 43 VAL CA C 66.140 0.20 1 401 43 43 VAL CB C 30.820 0.20 1 402 43 43 VAL CG1 C 22.495 0.20 2 403 43 43 VAL CG2 C 20.993 0.20 2 404 43 43 VAL N N 123.833 0.05 1 405 44 44 GLU H H 8.016 0.05 1 406 44 44 GLU HA H 3.876 0.05 1 407 44 44 GLU HB2 H 2.256 0.05 2 408 44 44 GLU HB3 H 2.054 0.05 2 409 44 44 GLU HG2 H 2.319 0.05 2 410 44 44 GLU HG3 H 2.435 0.05 2 411 44 44 GLU CA C 59.590 0.20 1 412 44 44 GLU CB C 28.503 0.20 1 413 44 44 GLU CG C 36.159 0.20 1 414 44 44 GLU N N 121.254 0.05 1 415 45 45 GLU H H 7.461 0.05 1 416 45 45 GLU CA C 58.116 0.20 1 417 45 45 GLU N N 113.236 0.05 1 418 46 46 CYS H H 8.068 0.05 1 419 46 46 CYS N N 109.649 0.05 1 420 47 47 CYS H H 8.155 0.05 1 421 47 47 CYS C C 175.466 0.20 1 422 47 47 CYS N N 117.177 0.05 1 423 48 48 PHE H H 7.758 0.05 1 424 48 48 PHE HA H 4.659 0.05 1 425 48 48 PHE HB2 H 3.234 0.05 2 426 48 48 PHE HB3 H 3.468 0.05 2 427 48 48 PHE HD1 H 7.191 0.05 3 428 48 48 PHE HD2 H 7.191 0.05 3 429 48 48 PHE HE1 H 7.322 0.05 3 430 48 48 PHE HE2 H 7.322 0.05 3 431 48 48 PHE C C 176.249 0.20 1 432 48 48 PHE CA C 56.683 0.20 1 433 48 48 PHE CB C 37.445 0.20 1 434 48 48 PHE N N 116.622 0.05 1 435 49 49 ARG H H 7.427 0.05 1 436 49 49 ARG HA H 4.388 0.05 1 437 49 49 ARG HB2 H 1.820 0.05 2 438 49 49 ARG HB3 H 1.936 0.05 2 439 49 49 ARG HD2 H 3.238 0.05 1 440 49 49 ARG HD3 H 3.238 0.05 1 441 49 49 ARG HE H 7.278 0.05 1 442 49 49 ARG HG2 H 1.656 0.05 1 443 49 49 ARG HG3 H 1.656 0.05 1 444 49 49 ARG C C 172.934 0.20 1 445 49 49 ARG CA C 53.943 0.20 1 446 49 49 ARG CB C 32.227 0.20 1 447 49 49 ARG CD C 43.445 0.20 1 448 49 49 ARG CG C 26.479 0.20 1 449 49 49 ARG N N 117.774 0.05 1 450 49 49 ARG NE N 85.698 0.05 1 451 50 50 SER H H 7.679 0.05 1 452 50 50 SER HA H 4.426 0.05 1 453 50 50 SER HB2 H 3.820 0.05 1 454 50 50 SER HB3 H 3.820 0.05 1 455 50 50 SER C C 174.973 0.20 1 456 50 50 SER CA C 57.699 0.20 1 457 50 50 SER CB C 64.160 0.20 1 458 50 50 SER N N 110.671 0.05 1 459 51 51 CYS H H 9.560 0.05 1 460 51 51 CYS HA H 5.213 0.05 1 461 51 51 CYS HB2 H 3.331 0.05 2 462 51 51 CYS HB3 H 3.668 0.05 2 463 51 51 CYS C C 171.677 0.20 1 464 51 51 CYS CA C 52.749 0.20 1 465 51 51 CYS CB C 47.081 0.20 1 466 51 51 CYS N N 120.399 0.05 1 467 52 52 ASP H H 7.401 0.05 1 468 52 52 ASP HA H 4.795 0.05 1 469 52 52 ASP HB2 H 3.158 0.05 1 470 52 52 ASP HB3 H 3.158 0.05 1 471 52 52 ASP CA C 50.834 0.20 1 472 52 52 ASP CB C 42.321 0.20 1 473 52 52 ASP N N 115.644 0.05 1 474 54 54 ALA H H 8.361 0.05 1 475 54 54 ALA HA H 3.950 0.05 1 476 54 54 ALA HB H 1.398 0.05 1 477 54 54 ALA CA C 54.758 0.20 1 478 54 54 ALA CB C 17.082 0.20 1 479 54 54 ALA N N 120.271 0.05 1 480 55 55 LEU H H 7.885 0.05 1 481 55 55 LEU C C 180.407 0.20 1 482 55 55 LEU CA C 57.519 0.20 1 483 55 55 LEU N N 120.414 0.05 1 484 57 57 GLU C C 179.275 0.20 1 485 58 58 THR H H 7.935 0.05 1 486 58 58 THR HA H 4.296 0.05 1 487 58 58 THR HB H 4.073 0.05 1 488 58 58 THR HG2 H 1.489 0.05 1 489 58 58 THR CA C 63.784 0.20 1 490 58 58 THR CB C 70.595 0.20 1 491 58 58 THR CG2 C 21.174 0.20 1 492 58 58 THR N N 110.523 0.05 1 493 59 59 TYR H H 8.190 0.05 1 494 59 59 TYR HA H 4.276 0.05 1 495 59 59 TYR HB2 H 3.030 0.05 2 496 59 59 TYR HB3 H 3.875 0.05 2 497 59 59 TYR HD1 H 6.530 0.05 3 498 59 59 TYR HD2 H 6.530 0.05 3 499 59 59 TYR HE1 H 7.258 0.05 3 500 59 59 TYR HE2 H 7.258 0.05 3 501 59 59 TYR N N 120.883 0.05 1 502 60 60 CYS H H 7.487 0.05 1 503 60 60 CYS HA H 5.220 0.05 1 504 60 60 CYS N N 116.467 0.05 1 505 61 61 ALA HA H 4.182 0.05 1 506 61 61 ALA HB H 1.109 0.05 1 507 61 61 ALA C C 177.187 0.20 1 508 61 61 ALA CA C 52.520 0.20 1 509 61 61 ALA CB C 18.191 0.20 1 510 62 62 THR H H 7.694 0.05 1 511 62 62 THR HA H 4.674 0.05 1 512 62 62 THR HB H 4.185 0.05 1 513 62 62 THR HG2 H 1.275 0.05 1 514 62 62 THR C C 173.187 0.20 1 515 62 62 THR CA C 58.916 0.20 1 516 62 62 THR CB C 69.633 0.20 1 517 62 62 THR CG2 C 21.252 0.20 1 518 62 62 THR N N 112.552 0.05 1 519 63 63 PRO HA H 4.432 0.05 1 520 63 63 PRO HB2 H 2.311 0.05 2 521 63 63 PRO HB3 H 1.944 0.05 2 522 63 63 PRO HD2 H 3.739 0.05 2 523 63 63 PRO HD3 H 3.811 0.05 2 524 63 63 PRO HG2 H 1.969 0.05 1 525 63 63 PRO HG3 H 1.969 0.05 1 526 63 63 PRO C C 176.779 0.20 1 527 63 63 PRO CA C 62.570 0.20 1 528 63 63 PRO CB C 31.777 0.20 1 529 63 63 PRO CD C 50.617 0.20 1 530 63 63 PRO CG C 27.029 0.20 1 531 64 64 ALA H H 8.375 0.05 1 532 64 64 ALA HA H 4.252 0.05 1 533 64 64 ALA HB H 1.379 0.05 1 534 64 64 ALA C C 177.988 0.20 1 535 64 64 ALA CA C 51.984 0.20 1 536 64 64 ALA CB C 18.902 0.20 1 537 64 64 ALA N N 124.235 0.05 1 538 65 65 LYS H H 8.237 0.05 1 539 65 65 LYS HA H 4.354 0.05 1 540 65 65 LYS HB2 H 1.857 0.05 2 541 65 65 LYS HB3 H 1.771 0.05 2 542 65 65 LYS HD2 H 1.687 0.05 1 543 65 65 LYS HD3 H 1.687 0.05 1 544 65 65 LYS HE2 H 2.998 0.05 1 545 65 65 LYS HE3 H 2.998 0.05 1 546 65 65 LYS HG2 H 1.437 0.05 1 547 65 65 LYS HG3 H 1.437 0.05 1 548 65 65 LYS C C 176.784 0.20 1 549 65 65 LYS CA C 55.722 0.20 1 550 65 65 LYS CB C 32.926 0.20 1 551 65 65 LYS CD C 28.717 0.20 1 552 65 65 LYS CE C 41.739 0.20 1 553 65 65 LYS CG C 24.192 0.20 1 554 65 65 LYS N N 120.573 0.05 1 555 66 66 SER H H 8.321 0.05 1 556 66 66 SER HA H 4.460 0.05 1 557 66 66 SER HB2 H 3.869 0.05 2 558 66 66 SER HB3 H 3.865 0.05 2 559 66 66 SER C C 173.948 0.20 1 560 66 66 SER CA C 57.928 0.20 1 561 66 66 SER CB C 63.622 0.20 1 562 66 66 SER N N 117.796 0.05 1 563 67 67 GLU H H 7.954 0.05 1 564 67 67 GLU HA H 4.199 0.05 1 565 67 67 GLU HB2 H 2.105 0.05 2 566 67 67 GLU HB3 H 1.915 0.05 2 567 67 67 GLU HG2 H 2.324 0.05 1 568 67 67 GLU HG3 H 2.324 0.05 1 569 67 67 GLU C C 180.823 0.20 1 570 67 67 GLU CA C 57.019 0.20 1 571 67 67 GLU CB C 30.013 0.20 1 572 67 67 GLU N N 126.766 0.05 1 stop_ save_