data_19117 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR solution structure ensemble of 3-4D mutant domain 11 IGF2R in complex with IGF2 (domain 11 structure only) ; _BMRB_accession_number 19117 _BMRB_flat_file_name bmr19117.str _Entry_type original _Submission_date 2013-03-27 _Accession_date 2013-03-27 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details ; Ensemble of 20 structures of the 3-4D mutant of domain 11 IGF2R in complex with IGF2. The structure concerns the domain 11 portion only. The mutant hosts 5 mutations in the AB loop in comparison to human domain 11 IGF2R. ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Strickland Madeleine . . 2 Williams Chris . . 3 Richards Emily . . 4 Minnall Leanne . . 5 Crump Matthew P. . 6 Frago Susana . . 7 Hughes Jennifer . . 8 Garner Lee . . 9 Hoppe Hans-Jurgen . . 10 Rezgui Dellel . . 11 Zaccheo Oliver J. . 12 Prince Stuart N. . 13 Hassan Andrew B. . 14 Whittaker Sara . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 heteronucl_NOE 2 T1_relaxation 2 T2_relaxation 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 792 "13C chemical shifts" 558 "15N chemical shifts" 150 "T1 relaxation values" 238 "T2 relaxation values" 237 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-10-13 original author . stop_ _Original_release_date 2014-10-13 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Directed evolution of structurally selected IGF2R domain 11 binding loop residues generates an IGF2 super-antagonist' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Frago Susana . . 2 Strickland Madeleine . . 3 Hughes Jennifer . . 4 Williams Christopher . . 5 Garner Lee . . 6 Hoppe Hans-Jurgen . . 7 Rezgui Dellel . . 8 Zaccheo Oliver J. . 9 Prince Stuart N. . 10 Crump Matthew P. . 11 Hassan Andrew B. . stop_ _Journal_abbreviation 'EMBO J.' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Domain 11:IGF2 complex' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Domain_11 $Domain_11 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details '1:1 complex of domain 11 IGF2R with IGF2.' save_ ######################## # Monomeric polymers # ######################## save_Domain_11 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Domain_11 _Molecular_mass 15433.671 _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 142 _Mol_residue_sequence ; MKSNEHDDCQVTNPSTGHLF DLSSLSGRAGFTAAYAKGWG VYMSICGENENCPPGVGACF GQTRISVGKANKRLRYVDQV LQLVYKDGSPCPSKSGLSYK SVISFVCRPEAGPTNRPMLI SLDKQTCTLFFSWHTPLACE LA ; 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 ALA 37 1544 LYS 38 1545 GLY 39 1546 TRP 40 1547 GLY 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 LEU 142 1649 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-29 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 17127 HD11 98.59 142 97.14 97.86 1.64e-95 BMRB 17128 domain_11 98.59 142 97.14 97.86 1.64e-95 BMRB 19153 IGF2R 100.00 142 100.00 100.00 4.21e-101 PDB 2L29 "Complex Structure Of E4 Mutant Human Igf2r Domain 11 Bound To Igf-Ii" 98.59 142 97.14 97.86 1.64e-95 PDB 2L2A "Mutated Domain 11 Of The Cytoplasmic Region Of The Cation-Independent Mannose-6-Phosphate Receptor" 98.59 142 97.14 97.86 1.64e-95 PDB 2M68 "Nmr Solution Structure Ensemble Of 3-4d Mutant Domain 11 Igf2r In Complex With Igf2 (domain 11 Structure Only)" 100.00 142 100.00 100.00 4.21e-101 PDB 2M6T "Nmr Solution Structure Ensemble Of 3-4d Mutant Domain 11 Igf2r" 100.00 142 100.00 100.00 4.21e-101 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic _Details $Domain_11 Human 9606 Eukaryota Metazoa Homo sapiens 'Domain 11 IGF2R' 'Five mutations in AB loop in comparison to human domain 11 IGF2R. Mutated using directed evolution.' stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $Domain_11 'recombinant technology' . Escherichia coli . pET26a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'STRUCTURAL STUDIES: Lyophilised IGF2 was added to solution state domain 11 at pH 4 in a 1:1 ratio.' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Domain_11 1 mM 'natural abundance' H2O 93 % 'natural abundance' D2O 7 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details 'STRUCTURAL STUDIES: Lyophilised IGF2 was added to solution state domain 11 at pH 4 in a 1:1 ratio.' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Domain_11 1 mM 'natural abundance' H2O 93 % 'natural abundance' D2O 7 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_ARIA _Saveframe_category software _Name ARIA _Version 2.2 _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model VNMRS _Field_strength 600 _Details 'Fitted with a cryogenically cooled probehead. Bristol University.' save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model VNMRS _Field_strength 900 _Details 'Fitted with a cryogenically cooled probehead. HWB-NMR/Welcome Trust.' save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_2 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_2 save_ save_3D_C(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_2 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_HNCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_3D_HN(CO)CA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_2 save_ save_3D_H(CCO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_2 save_ save_3D_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_2 save_ save_3D_1H-15N_TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_aliphatic_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_2 save_ save_Heteronuclear_NOE_ratio_13 _Saveframe_category NMR_applied_experiment _Experiment_name 'Heteronuclear NOE ratio' _Sample_label $sample_1 save_ save_Heteronuclear_NOE_ratio_14 _Saveframe_category NMR_applied_experiment _Experiment_name 'Heteronuclear NOE ratio' _Sample_label $sample_1 save_ save_T1_experiments_15 _Saveframe_category NMR_applied_experiment _Experiment_name 'T1 experiments' _Sample_label $sample_1 save_ save_T1_experiments_16 _Saveframe_category NMR_applied_experiment _Experiment_name 'T1 experiments' _Sample_label $sample_1 save_ save_T2_experiments_17 _Saveframe_category NMR_applied_experiment _Experiment_name 'T2 experiments' _Sample_label $sample_1 save_ save_T2_experiments_18 _Saveframe_category NMR_applied_experiment _Experiment_name 'T2 experiments' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details 'Conditions for sample 1.' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 4 . pH temperature 310.15 . K stop_ save_ save_sample_conditions_2 _Saveframe_category sample_conditions _Details 'Conditions for sample 2.' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 4 . pH temperature 298.15 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D CBCA(CO)NH' '3D C(CO)NH' '3D HNCO' '3D HNCA' '3D HN(CO)CA' '3D H(CCO)NH' '3D 1H-15N NOESY' '3D 1H-15N TOCSY' '3D 1H-13C NOESY aliphatic' stop_ loop_ _Sample_label $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 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 3.836 0.000 1 2 1508 1 MET HB2 H 1.435 0.000 2 3 1508 1 MET HB3 H 1.509 0.000 2 4 1508 1 MET HE H 1.124 0.000 1 5 1508 1 MET C C 173.143 0.000 1 6 1508 1 MET CA C 55.765 0.000 1 7 1508 1 MET CB C 33.518 0.000 1 8 1508 1 MET CG C 31.364 0.000 1 9 1508 1 MET CE C 17.830 0.000 1 10 1509 2 LYS H H 8.415 0.000 1 11 1509 2 LYS HA H 4.103 0.000 1 12 1509 2 LYS HB2 H 1.456 0.000 2 13 1509 2 LYS HB3 H 1.512 0.000 2 14 1509 2 LYS HG2 H 1.136 0.000 2 15 1509 2 LYS HG3 H 1.119 0.000 2 16 1509 2 LYS HD2 H 1.362 0.000 1 17 1509 2 LYS HD3 H 1.314 0.000 1 18 1509 2 LYS HE2 H 2.666 0.000 1 19 1509 2 LYS HE3 H 2.670 0.000 1 20 1509 2 LYS C C 177.256 0.000 1 21 1509 2 LYS CA C 57.126 0.000 1 22 1509 2 LYS CB C 33.686 0.000 1 23 1509 2 LYS CG C 25.395 0.000 1 24 1509 2 LYS CD C 29.590 0.000 1 25 1509 2 LYS CE C 42.819 0.000 1 26 1509 2 LYS N N 124.720 0.000 1 27 1510 3 SER H H 8.107 0.000 1 28 1510 3 SER HA H 4.278 0.000 1 29 1510 3 SER HB2 H 3.575 0.000 2 30 1510 3 SER HB3 H 3.518 0.000 2 31 1510 3 SER C C 174.983 0.000 1 32 1510 3 SER CA C 58.696 0.000 1 33 1510 3 SER CB C 64.861 0.000 1 34 1510 3 SER N N 117.754 0.000 1 35 1511 4 ASN H H 8.241 0.000 1 36 1511 4 ASN HA H 4.484 0.000 1 37 1511 4 ASN HB2 H 2.466 0.000 2 38 1511 4 ASN HB3 H 2.509 0.000 2 39 1511 4 ASN HD21 H 6.531 0.000 2 40 1511 4 ASN HD22 H 7.242 0.000 2 41 1511 4 ASN C C 175.570 0.000 1 42 1511 4 ASN CA C 53.535 0.000 1 43 1511 4 ASN CB C 39.888 0.000 1 44 1511 4 ASN N N 120.405 0.000 1 45 1511 4 ASN ND2 N 112.557 0.000 1 46 1512 5 GLU H H 7.856 0.000 1 47 1512 5 GLU HA H 4.170 0.000 1 48 1512 5 GLU HB2 H 1.561 0.000 2 49 1512 5 GLU HB3 H 1.638 0.000 2 50 1512 5 GLU HG2 H 1.877 0.000 2 51 1512 5 GLU HG3 H 1.861 0.000 2 52 1512 5 GLU C C 176.526 0.000 1 53 1512 5 GLU CA C 56.917 0.000 1 54 1512 5 GLU CB C 31.015 0.000 1 55 1512 5 GLU CG C 35.726 0.000 1 56 1512 5 GLU N N 120.819 0.000 1 57 1513 6 HIS H H 8.237 0.000 1 58 1513 6 HIS HA H 4.354 0.000 1 59 1513 6 HIS HB2 H 3.207 0.000 2 60 1513 6 HIS HB3 H 2.882 0.000 2 61 1513 6 HIS C C 174.132 0.000 1 62 1513 6 HIS CA C 55.972 0.000 1 63 1513 6 HIS CB C 30.044 0.000 1 64 1513 6 HIS N N 119.969 0.000 1 65 1514 7 ASP H H 7.962 0.000 1 66 1514 7 ASP HA H 4.501 0.000 1 67 1514 7 ASP HB2 H 2.410 0.000 2 68 1514 7 ASP HB3 H 2.249 0.000 2 69 1514 7 ASP C C 176.929 0.000 1 70 1514 7 ASP CA C 54.243 0.000 1 71 1514 7 ASP CB C 41.442 0.000 1 72 1514 7 ASP N N 121.432 0.000 1 73 1515 8 ASP H H 8.210 0.000 1 74 1515 8 ASP HA H 4.242 0.000 1 75 1515 8 ASP HB2 H 2.399 0.000 2 76 1515 8 ASP HB3 H 2.409 0.000 2 77 1515 8 ASP C C 175.844 0.000 1 78 1515 8 ASP CA C 54.785 0.000 1 79 1515 8 ASP CB C 40.515 0.000 1 80 1515 8 ASP N N 118.065 0.000 1 81 1516 9 CYS H H 9.140 0.000 1 82 1516 9 CYS HA H 3.754 0.000 1 83 1516 9 CYS HB2 H 2.336 0.000 2 84 1516 9 CYS HB3 H 3.169 0.000 2 85 1516 9 CYS C C 172.714 0.000 1 86 1516 9 CYS CA C 58.543 0.000 1 87 1516 9 CYS CB C 41.645 0.000 1 88 1516 9 CYS N N 123.294 0.000 1 89 1517 10 GLN H H 7.406 0.000 1 90 1517 10 GLN HA H 5.044 0.000 1 91 1517 10 GLN HB2 H 1.713 0.000 2 92 1517 10 GLN HB3 H 1.558 0.000 2 93 1517 10 GLN HG2 H 1.818 0.000 2 94 1517 10 GLN HG3 H 1.920 0.000 2 95 1517 10 GLN HE21 H 6.794 0.000 1 96 1517 10 GLN HE22 H 6.285 0.000 1 97 1517 10 GLN C C 174.927 0.000 1 98 1517 10 GLN CA C 54.822 0.000 1 99 1517 10 GLN CB C 33.490 0.000 1 100 1517 10 GLN CG C 33.672 0.000 1 101 1517 10 GLN N N 113.988 0.000 1 102 1517 10 GLN NE2 N 109.782 0.000 1 103 1518 11 VAL H H 8.354 0.000 1 104 1518 11 VAL HA H 4.148 0.000 1 105 1518 11 VAL HB H 1.862 0.000 1 106 1518 11 VAL HG1 H 0.958 0.000 2 107 1518 11 VAL HG2 H 0.383 0.000 2 108 1518 11 VAL C C 172.839 0.000 1 109 1518 11 VAL CA C 61.819 0.000 1 110 1518 11 VAL CB C 34.646 0.000 1 111 1518 11 VAL CG1 C 23.441 0.000 1 112 1518 11 VAL CG2 C 20.867 0.000 1 113 1518 11 VAL N N 118.642 0.000 1 114 1519 12 THR H H 7.454 0.000 1 115 1519 12 THR HA H 5.184 0.000 1 116 1519 12 THR HB H 3.331 0.000 1 117 1519 12 THR HG2 H 0.535 0.000 1 118 1519 12 THR C C 175.949 0.000 1 119 1519 12 THR CA C 60.458 0.000 1 120 1519 12 THR CB C 71.541 0.000 1 121 1519 12 THR CG2 C 22.339 0.000 1 122 1519 12 THR N N 118.244 0.000 1 123 1520 13 ASN H H 7.860 0.000 1 124 1520 13 ASN HA H 3.851 0.000 1 125 1520 13 ASN HB2 H 2.082 0.000 2 126 1520 13 ASN HB3 H 2.842 0.000 2 127 1520 13 ASN HD21 H 9.050 0.000 2 128 1520 13 ASN HD22 H 6.810 0.000 2 129 1520 13 ASN CA C 50.473 0.000 1 130 1520 13 ASN CB C 39.388 0.000 1 131 1520 13 ASN N N 120.528 0.000 1 132 1520 13 ASN ND2 N 118.183 0.000 1 133 1521 14 PRO HA H 3.970 0.000 1 134 1521 14 PRO HB2 H 2.019 0.000 2 135 1521 14 PRO HB3 H 1.706 0.000 2 136 1521 14 PRO HG2 H 1.699 0.000 2 137 1521 14 PRO HG3 H 1.775 0.000 2 138 1521 14 PRO HD2 H 3.423 0.000 1 139 1521 14 PRO HD3 H 3.736 0.000 1 140 1521 14 PRO C C 179.009 0.000 1 141 1521 14 PRO CA C 64.968 0.000 1 142 1521 14 PRO CB C 32.858 0.000 1 143 1521 14 PRO CG C 27.865 0.000 1 144 1521 14 PRO CD C 51.797 0.000 1 145 1522 15 SER H H 7.653 0.000 1 146 1522 15 SER HA H 4.094 0.000 1 147 1522 15 SER HB2 H 3.610 0.000 2 148 1522 15 SER HB3 H 3.606 0.000 2 149 1522 15 SER C C 176.067 0.000 1 150 1522 15 SER CA C 61.319 0.000 1 151 1522 15 SER CB C 64.034 0.000 1 152 1522 15 SER N N 111.821 0.000 1 153 1523 16 THR H H 6.417 0.000 1 154 1523 16 THR HA H 4.174 0.000 1 155 1523 16 THR HB H 3.985 0.000 1 156 1523 16 THR HG2 H 0.760 0.000 1 157 1523 16 THR C C 177.140 0.000 1 158 1523 16 THR CA C 61.702 0.000 1 159 1523 16 THR CB C 71.828 0.000 1 160 1523 16 THR CG2 C 21.816 0.000 1 161 1523 16 THR N N 106.845 0.000 1 162 1524 17 GLY H H 8.291 0.000 1 163 1524 17 GLY HA2 H 3.186 0.000 1 164 1524 17 GLY HA3 H 3.838 0.000 1 165 1524 17 GLY C C 174.482 0.000 1 166 1524 17 GLY CA C 45.929 0.000 1 167 1524 17 GLY N N 111.592 0.000 1 168 1525 18 HIS H H 7.419 0.000 1 169 1525 18 HIS HA H 3.622 0.000 1 170 1525 18 HIS HB2 H 2.183 0.000 2 171 1525 18 HIS HB3 H 2.613 0.000 2 172 1525 18 HIS C C 173.531 0.000 1 173 1525 18 HIS CA C 57.431 0.000 1 174 1525 18 HIS CB C 29.731 0.000 1 175 1525 18 HIS N N 119.105 0.000 1 176 1526 19 LEU H H 7.459 0.000 1 177 1526 19 LEU HA H 3.862 0.000 1 178 1526 19 LEU HB2 H 0.793 0.000 2 179 1526 19 LEU HB3 H 1.141 0.000 2 180 1526 19 LEU HG H 0.350 0.000 1 181 1526 19 LEU HD1 H 0.292 0.000 2 182 1526 19 LEU HD2 H 0.540 0.000 2 183 1526 19 LEU C C 175.767 0.000 1 184 1526 19 LEU CA C 55.032 0.000 1 185 1526 19 LEU CB C 43.839 0.000 1 186 1526 19 LEU CG C 26.136 0.000 1 187 1526 19 LEU CD1 C 24.613 0.000 1 188 1526 19 LEU CD2 C 22.713 0.000 1 189 1526 19 LEU N N 129.153 0.000 1 190 1527 20 PHE H H 8.851 0.000 1 191 1527 20 PHE HA H 4.381 0.000 1 192 1527 20 PHE HB2 H 2.314 0.000 2 193 1527 20 PHE HB3 H 2.663 0.000 2 194 1527 20 PHE HD1 H 7.100 0.000 3 195 1527 20 PHE HD2 H 7.100 0.000 1 196 1527 20 PHE HZ H 7.050 0.000 1 197 1527 20 PHE C C 175.159 0.000 1 198 1527 20 PHE CA C 57.609 0.000 1 199 1527 20 PHE CB C 40.772 0.000 1 200 1527 20 PHE CD1 C 133.652 0.000 3 201 1527 20 PHE CD2 C 133.652 0.000 3 202 1527 20 PHE N N 126.254 0.000 1 203 1528 21 ASP H H 8.101 0.000 1 204 1528 21 ASP HA H 4.676 0.000 1 205 1528 21 ASP HB2 H 1.923 0.000 2 206 1528 21 ASP HB3 H 2.545 0.000 2 207 1528 21 ASP C C 177.329 0.000 1 208 1528 21 ASP CA C 53.407 0.000 1 209 1528 21 ASP CB C 43.443 0.000 1 210 1528 21 ASP N N 120.841 0.000 1 211 1529 22 LEU H H 7.962 0.000 1 212 1529 22 LEU HA H 4.007 0.000 1 213 1529 22 LEU HB2 H 1.029 0.000 2 214 1529 22 LEU HB3 H 0.888 0.000 2 215 1529 22 LEU HG H 0.593 0.000 1 216 1529 22 LEU HD1 H -0.673 0.000 2 217 1529 22 LEU HD2 H -0.416 0.000 2 218 1529 22 LEU C C 178.054 0.000 1 219 1529 22 LEU CA C 54.598 0.000 1 220 1529 22 LEU CB C 41.471 0.000 1 221 1529 22 LEU CG C 27.892 0.000 1 222 1529 22 LEU CD1 C 24.934 0.000 1 223 1529 22 LEU CD2 C 23.103 0.000 1 224 1529 22 LEU N N 126.560 0.000 1 225 1530 23 SER H H 8.590 0.000 1 226 1530 23 SER HA H 4.322 0.000 1 227 1530 23 SER HB2 H 3.570 0.000 2 228 1530 23 SER HB3 H 3.684 0.000 2 229 1530 23 SER C C 178.498 0.000 1 230 1530 23 SER CA C 63.650 0.000 1 231 1530 23 SER CB C 63.491 0.000 1 232 1530 23 SER N N 117.140 0.000 1 233 1531 24 SER H H 8.505 0.000 1 234 1531 24 SER HA H 3.932 0.000 1 235 1531 24 SER HB2 H 3.633 0.000 2 236 1531 24 SER HB3 H 3.638 0.000 2 237 1531 24 SER C C 176.512 0.000 1 238 1531 24 SER CA C 61.871 0.000 1 239 1531 24 SER CB C 62.481 0.000 1 240 1531 24 SER N N 118.867 0.000 1 241 1532 25 LEU H H 7.602 0.000 1 242 1532 25 LEU HA H 4.341 0.000 1 243 1532 25 LEU HB2 H 1.222 0.000 2 244 1532 25 LEU HB3 H 1.305 0.000 2 245 1532 25 LEU HG H 0.872 0.000 1 246 1532 25 LEU HD1 H -0.408 0.000 2 247 1532 25 LEU HD2 H 0.338 0.000 2 248 1532 25 LEU C C 178.097 0.000 1 249 1532 25 LEU CA C 55.236 0.000 1 250 1532 25 LEU CB C 42.457 0.000 1 251 1532 25 LEU CG C 25.223 0.000 1 252 1532 25 LEU CD1 C 25.445 0.000 1 253 1532 25 LEU CD2 C 21.829 0.000 1 254 1532 25 LEU N N 120.602 0.000 1 255 1533 26 SER H H 7.311 0.000 1 256 1533 26 SER HA H 4.564 0.000 1 257 1533 26 SER HB2 H 3.595 0.000 2 258 1533 26 SER HB3 H 3.813 0.000 2 259 1533 26 SER C C 174.922 0.000 1 260 1533 26 SER CA C 59.570 0.000 1 261 1533 26 SER CB C 65.830 0.000 1 262 1533 26 SER N N 114.847 0.000 1 263 1534 27 GLY H H 8.647 0.000 1 264 1534 27 GLY HA2 H 3.492 0.000 1 265 1534 27 GLY HA3 H 4.453 0.000 1 266 1534 27 GLY C C 177.139 0.000 1 267 1534 27 GLY CA C 45.365 0.000 1 268 1534 27 GLY N N 110.717 0.000 1 269 1535 28 ARG H H 8.342 0.000 1 270 1535 28 ARG HA H 4.199 0.000 1 271 1535 28 ARG HB2 H 1.447 0.000 2 272 1535 28 ARG HB3 H 1.409 0.000 2 273 1535 28 ARG HG2 H 1.483 0.000 2 274 1535 28 ARG HG3 H 1.263 0.000 2 275 1535 28 ARG HD2 H 2.962 0.000 1 276 1535 28 ARG HD3 H 2.837 0.000 1 277 1535 28 ARG HE H 7.345 0.000 1 278 1535 28 ARG C C 178.321 0.000 1 279 1535 28 ARG CA C 58.942 0.000 1 280 1535 28 ARG CB C 31.681 0.000 1 281 1535 28 ARG CG C 29.219 0.000 1 282 1535 28 ARG CD C 43.688 0.000 1 283 1535 28 ARG N N 123.479 0.000 1 284 1535 28 ARG NE N 84.099 0.000 1 285 1536 29 ALA H H 7.979 0.000 1 286 1536 29 ALA HA H 3.644 0.000 1 287 1536 29 ALA HB H 0.968 0.000 1 288 1536 29 ALA C C 171.908 0.000 1 289 1536 29 ALA CA C 55.407 0.000 1 290 1536 29 ALA CB C 18.524 0.000 1 291 1536 29 ALA N N 122.890 0.000 1 292 1537 30 GLY H H 6.940 0.000 1 293 1537 30 GLY HA2 H 3.557 0.000 1 294 1537 30 GLY HA3 H 3.476 0.000 1 295 1537 30 GLY C C 173.677 0.000 1 296 1537 30 GLY CA C 47.073 0.000 1 297 1537 30 GLY N N 102.524 0.000 1 298 1538 31 PHE H H 8.912 0.000 1 299 1538 31 PHE HA H 4.613 0.000 1 300 1538 31 PHE HB2 H 2.852 0.000 2 301 1538 31 PHE HB3 H 2.065 0.000 2 302 1538 31 PHE HD1 H 7.057 0.000 3 303 1538 31 PHE HD2 H 7.057 0.000 1 304 1538 31 PHE HE1 H 7.179 0.000 3 305 1538 31 PHE HE2 H 7.179 0.000 3 306 1538 31 PHE C C 176.506 0.000 1 307 1538 31 PHE CA C 57.552 0.000 1 308 1538 31 PHE CB C 45.369 0.000 1 309 1538 31 PHE CD1 C 132.859 0.000 3 310 1538 31 PHE CD2 C 132.859 0.000 3 311 1538 31 PHE N N 120.443 0.000 1 312 1539 32 THR H H 8.209 0.000 1 313 1539 32 THR HA H 5.260 0.000 1 314 1539 32 THR HB H 3.342 0.000 1 315 1539 32 THR HG2 H 0.618 0.000 1 316 1539 32 THR C C 174.430 0.000 1 317 1539 32 THR CA C 60.475 0.000 1 318 1539 32 THR CB C 72.569 0.000 1 319 1539 32 THR CG2 C 22.772 0.000 1 320 1539 32 THR N N 113.275 0.000 1 321 1540 33 ALA H H 8.266 0.000 1 322 1540 33 ALA HA H 4.536 0.000 1 323 1540 33 ALA HB H 0.987 0.000 1 324 1540 33 ALA C C 177.044 0.000 1 325 1540 33 ALA CA C 50.570 0.000 1 326 1540 33 ALA CB C 21.667 0.000 1 327 1540 33 ALA N N 125.988 0.000 1 328 1541 34 ALA H H 8.155 0.000 1 329 1541 34 ALA HA H 4.149 0.000 1 330 1541 34 ALA HB H 1.073 0.000 1 331 1541 34 ALA C C 178.982 0.000 1 332 1541 34 ALA CA C 54.430 0.000 1 333 1541 34 ALA CB C 20.901 0.000 1 334 1541 34 ALA N N 127.782 0.000 1 335 1542 35 TYR H H 7.810 0.000 1 336 1542 35 TYR HA H 4.643 0.000 1 337 1542 35 TYR HB2 H 2.306 0.000 2 338 1542 35 TYR HB3 H 2.943 0.000 2 339 1542 35 TYR HD1 H 6.645 0.000 3 340 1542 35 TYR HD2 H 6.645 0.000 1 341 1542 35 TYR HE1 H 6.758 0.000 3 342 1542 35 TYR HE2 H 6.758 0.000 3 343 1542 35 TYR C C 174.376 0.000 1 344 1542 35 TYR CA C 57.093 0.000 1 345 1542 35 TYR CB C 40.233 0.000 1 346 1542 35 TYR N N 114.114 0.000 1 347 1543 36 ALA H H 7.768 0.000 1 348 1543 36 ALA HA H 4.174 0.000 1 349 1543 36 ALA HB H 1.071 0.000 1 350 1543 36 ALA CA C 51.848 0.000 1 351 1543 36 ALA CB C 22.729 0.000 1 352 1543 36 ALA N N 124.638 0.000 1 353 1544 37 LYS H H 10.021 0.000 1 354 1544 37 LYS HA H 3.693 0.000 1 355 1544 37 LYS HB2 H 1.479 0.000 2 356 1544 37 LYS HB3 H 1.445 0.000 2 357 1544 37 LYS HG2 H 1.013 0.000 2 358 1544 37 LYS HG3 H 1.184 0.000 2 359 1544 37 LYS HD2 H 1.326 0.000 1 360 1544 37 LYS HD3 H 1.318 0.000 1 361 1544 37 LYS HE2 H 2.626 0.000 1 362 1544 37 LYS HE3 H 2.644 0.000 1 363 1544 37 LYS C C 178.502 0.000 1 364 1544 37 LYS CA C 59.916 0.000 1 365 1544 37 LYS CB C 31.962 0.000 1 366 1544 37 LYS CG C 25.419 0.000 1 367 1544 37 LYS CD C 29.617 0.000 1 368 1544 37 LYS CE C 42.213 0.000 1 369 1544 37 LYS N N 125.040 0.000 1 370 1545 38 GLY H H 8.092 0.000 1 371 1545 38 GLY HA2 H 3.171 0.000 1 372 1545 38 GLY HA3 H 3.377 0.000 1 373 1545 38 GLY C C 174.280 0.000 1 374 1545 38 GLY CA C 45.667 0.000 1 375 1545 38 GLY N N 113.409 0.000 1 376 1546 39 TRP H H 7.336 0.000 1 377 1546 39 TRP HA H 4.411 0.000 1 378 1546 39 TRP HB2 H 2.567 0.000 2 379 1546 39 TRP HB3 H 1.742 0.000 2 380 1546 39 TRP HD1 H 6.822 0.000 1 381 1546 39 TRP HE1 H 9.655 0.000 1 382 1546 39 TRP HE3 H 6.095 0.000 1 383 1546 39 TRP HZ2 H 6.963 0.000 1 384 1546 39 TRP HZ3 H 6.275 0.000 1 385 1546 39 TRP HH2 H 7.124 0.000 1 386 1546 39 TRP C C 175.014 0.000 1 387 1546 39 TRP CA C 57.029 0.000 1 388 1546 39 TRP CB C 33.477 0.000 1 389 1546 39 TRP N N 119.119 0.000 1 390 1546 39 TRP NE1 N 129.183 0.000 1 391 1547 40 GLY H H 7.769 0.000 1 392 1547 40 GLY HA2 H 2.869 0.000 1 393 1547 40 GLY HA3 H 4.427 0.000 1 394 1547 40 GLY C C 173.737 0.000 1 395 1547 40 GLY CA C 45.722 0.000 1 396 1547 40 GLY N N 109.204 0.000 1 397 1548 41 VAL H H 8.905 0.000 1 398 1548 41 VAL HA H 4.051 0.000 1 399 1548 41 VAL HB H 1.940 0.000 1 400 1548 41 VAL HG1 H 0.907 0.000 2 401 1548 41 VAL HG2 H 0.664 0.000 2 402 1548 41 VAL C C 176.972 0.000 1 403 1548 41 VAL CA C 62.726 0.000 1 404 1548 41 VAL CB C 34.200 0.000 1 405 1548 41 VAL CG1 C 22.536 0.000 1 406 1548 41 VAL CG2 C 22.437 0.000 1 407 1548 41 VAL N N 122.090 0.000 1 408 1549 42 TYR H H 8.533 0.000 1 409 1549 42 TYR HA H 4.406 0.000 1 410 1549 42 TYR HB2 H 2.606 0.000 2 411 1549 42 TYR HB3 H 2.780 0.000 2 412 1549 42 TYR HD1 H 6.769 0.000 3 413 1549 42 TYR HD2 H 6.769 0.000 1 414 1549 42 TYR HE1 H 6.427 0.000 3 415 1549 42 TYR HE2 H 6.427 0.000 3 416 1549 42 TYR C C 176.603 0.000 1 417 1549 42 TYR CA C 58.572 0.000 1 418 1549 42 TYR CB C 38.937 0.000 1 419 1549 42 TYR CD1 C 133.765 0.000 3 420 1549 42 TYR CD2 C 133.765 0.000 3 421 1549 42 TYR CE1 C 118.404 0.000 3 422 1549 42 TYR CE2 C 118.404 0.000 3 423 1549 42 TYR N N 129.751 0.000 1 424 1550 43 MET H H 8.431 0.000 1 425 1550 43 MET HA H 5.449 0.000 1 426 1550 43 MET HB2 H 1.518 0.000 2 427 1550 43 MET HB3 H 1.498 0.000 2 428 1550 43 MET HG2 H 1.878 0.000 2 429 1550 43 MET HG3 H 1.838 0.000 2 430 1550 43 MET HE H 0.467 0.000 1 431 1550 43 MET C C 176.053 0.000 1 432 1550 43 MET CA C 55.508 0.000 1 433 1550 43 MET CB C 38.312 0.000 1 434 1550 43 MET CG C 30.722 0.000 1 435 1550 43 MET CE C 15.470 0.000 1 436 1550 43 MET N N 119.078 0.000 1 437 1551 44 SER H H 8.932 0.000 1 438 1551 44 SER HA H 5.221 0.000 1 439 1551 44 SER HB2 H 3.273 0.000 2 440 1551 44 SER HB3 H 3.408 0.000 2 441 1551 44 SER C C 173.905 0.000 1 442 1551 44 SER CA C 58.953 0.000 1 443 1551 44 SER CB C 68.393 0.000 1 444 1551 44 SER N N 120.815 0.000 1 445 1552 45 ILE H H 9.547 0.000 1 446 1552 45 ILE HA H 3.806 0.000 1 447 1552 45 ILE HB H 1.732 0.000 1 448 1552 45 ILE HG12 H 1.533 0.000 2 449 1552 45 ILE HG13 H 0.931 0.000 2 450 1552 45 ILE HG2 H 0.431 0.000 1 451 1552 45 ILE HD1 H 0.493 0.000 1 452 1552 45 ILE C C 177.053 0.000 1 453 1552 45 ILE CA C 58.763 0.000 1 454 1552 45 ILE CB C 33.228 0.000 1 455 1552 45 ILE CG1 C 28.092 0.000 1 456 1552 45 ILE CG2 C 18.091 0.000 1 457 1552 45 ILE CD1 C 9.840 0.000 1 458 1552 45 ILE N N 124.078 0.000 1 459 1553 46 CYS H H 7.781 0.000 1 460 1553 46 CYS HA H 4.148 0.000 1 461 1553 46 CYS HB2 H 2.854 0.000 2 462 1553 46 CYS HB3 H 3.739 0.000 2 463 1553 46 CYS C C 172.921 0.000 1 464 1553 46 CYS CA C 57.157 0.000 1 465 1553 46 CYS CB C 41.785 0.000 1 466 1553 46 CYS N N 118.205 0.000 1 467 1554 47 GLY H H 6.598 0.000 1 468 1554 47 GLY HA2 H 3.688 0.000 1 469 1554 47 GLY HA3 H 3.327 0.000 1 470 1554 47 GLY C C 170.687 0.000 1 471 1554 47 GLY CA C 45.989 0.000 1 472 1554 47 GLY N N 100.721 0.000 1 473 1555 48 GLU H H 7.472 0.000 1 474 1555 48 GLU HA H 3.407 0.000 1 475 1555 48 GLU HB2 H 1.205 0.000 2 476 1555 48 GLU HB3 H 1.781 0.000 2 477 1555 48 GLU HG2 H 1.858 0.000 2 478 1555 48 GLU HG3 H 1.465 0.000 2 479 1555 48 GLU C C 176.574 0.000 1 480 1555 48 GLU CA C 55.783 0.000 1 481 1555 48 GLU CB C 29.181 0.000 1 482 1555 48 GLU CG C 35.051 0.000 1 483 1555 48 GLU N N 115.294 0.000 1 484 1556 49 ASN H H 7.690 0.000 1 485 1556 49 ASN HA H 5.125 0.000 1 486 1556 49 ASN HB2 H 2.279 0.000 2 487 1556 49 ASN HB3 H 1.781 0.000 2 488 1556 49 ASN HD21 H 7.540 0.000 2 489 1556 49 ASN HD22 H 6.712 0.000 2 490 1556 49 ASN C C 178.664 0.000 1 491 1556 49 ASN CA C 53.061 0.000 1 492 1556 49 ASN CB C 44.179 0.000 1 493 1556 49 ASN N N 117.736 0.000 1 494 1556 49 ASN ND2 N 117.133 0.000 1 495 1557 50 GLU H H 8.905 0.000 1 496 1557 50 GLU HA H 3.800 0.000 1 497 1557 50 GLU HB2 H 1.502 0.000 2 498 1557 50 GLU HB3 H 1.355 0.000 2 499 1557 50 GLU HG2 H 1.978 0.000 2 500 1557 50 GLU HG3 H 1.964 0.000 2 501 1557 50 GLU C C 175.839 0.000 1 502 1557 50 GLU CA C 58.225 0.000 1 503 1557 50 GLU CB C 29.292 0.000 1 504 1557 50 GLU CG C 33.790 0.000 1 505 1557 50 GLU N N 125.648 0.000 1 506 1558 51 ASN H H 8.146 0.000 1 507 1558 51 ASN HA H 4.082 0.000 1 508 1558 51 ASN HB2 H 1.243 0.000 2 509 1558 51 ASN HB3 H 1.856 0.000 2 510 1558 51 ASN C C 174.418 0.000 1 511 1558 51 ASN CA C 54.469 0.000 1 512 1558 51 ASN CB C 39.486 0.000 1 513 1558 51 ASN N N 117.522 0.000 1 514 1559 52 CYS H H 7.235 0.000 1 515 1559 52 CYS HA H 4.815 0.000 1 516 1559 52 CYS HB2 H 2.776 0.000 2 517 1559 52 CYS HB3 H 3.468 0.000 2 518 1559 52 CYS CA C 51.191 0.000 1 519 1559 52 CYS N N 117.217 0.000 1 520 1561 54 PRO HA H 3.808 0.000 1 521 1561 54 PRO HB2 H 1.479 0.000 2 522 1561 54 PRO HB3 H 2.004 0.000 2 523 1561 54 PRO HG2 H 1.684 0.000 2 524 1561 54 PRO HG3 H 1.799 0.000 2 525 1561 54 PRO C C 178.775 0.000 1 526 1561 54 PRO CA C 65.227 0.000 1 527 1561 54 PRO CB C 32.300 0.000 1 528 1561 54 PRO CG C 28.221 0.000 1 529 1562 55 GLY H H 8.828 0.000 1 530 1562 55 GLY HA2 H 3.329 0.000 1 531 1562 55 GLY HA3 H 3.863 0.000 1 532 1562 55 GLY C C 175.199 0.000 1 533 1562 55 GLY CA C 46.138 0.000 1 534 1562 55 GLY N N 112.320 0.000 1 535 1563 56 VAL H H 7.861 0.000 1 536 1563 56 VAL HA H 3.499 0.000 1 537 1563 56 VAL HB H 2.124 0.000 1 538 1563 56 VAL HG1 H 0.530 0.000 2 539 1563 56 VAL HG2 H 0.883 0.000 2 540 1563 56 VAL C C 175.966 0.000 1 541 1563 56 VAL CA C 65.465 0.000 1 542 1563 56 VAL CB C 32.051 0.000 1 543 1563 56 VAL CG1 C 22.917 0.000 1 544 1563 56 VAL CG2 C 24.771 0.000 1 545 1563 56 VAL N N 124.968 0.000 1 546 1564 57 GLY H H 8.237 0.000 1 547 1564 57 GLY HA2 H 2.756 0.000 1 548 1564 57 GLY HA3 H 3.879 0.000 1 549 1564 57 GLY C C 171.952 0.000 1 550 1564 57 GLY CA C 47.060 0.000 1 551 1564 57 GLY N N 114.703 0.000 1 552 1565 58 ALA H H 6.990 0.000 1 553 1565 58 ALA HA H 5.688 0.000 1 554 1565 58 ALA HB H 0.896 0.000 1 555 1565 58 ALA C C 176.502 0.000 1 556 1565 58 ALA CA C 51.795 0.000 1 557 1565 58 ALA CB C 22.374 0.000 1 558 1565 58 ALA N N 119.895 0.000 1 559 1566 59 CYS H H 8.930 0.000 1 560 1566 59 CYS HA H 5.363 0.000 1 561 1566 59 CYS HB2 H 2.814 0.000 2 562 1566 59 CYS HB3 H 2.837 0.000 2 563 1566 59 CYS C C 172.130 0.000 1 564 1566 59 CYS CA C 56.911 0.000 1 565 1566 59 CYS CB C 43.947 0.000 1 566 1566 59 CYS N N 115.466 0.000 1 567 1567 60 PHE H H 8.179 0.000 1 568 1567 60 PHE HA H 5.162 0.000 1 569 1567 60 PHE HB2 H 3.175 0.000 2 570 1567 60 PHE HB3 H 2.295 0.000 2 571 1567 60 PHE HD1 H 6.465 0.000 3 572 1567 60 PHE HD2 H 6.465 0.000 1 573 1567 60 PHE HE1 H 6.066 0.000 3 574 1567 60 PHE HE2 H 6.066 0.000 3 575 1567 60 PHE HZ H 6.167 0.000 1 576 1567 60 PHE C C 173.605 0.000 1 577 1567 60 PHE CA C 57.394 0.000 1 578 1567 60 PHE CB C 44.020 0.000 1 579 1567 60 PHE CD1 C 132.136 0.000 3 580 1567 60 PHE CD2 C 132.136 0.000 3 581 1567 60 PHE CE1 C 130.795 0.000 3 582 1567 60 PHE CE2 C 130.795 0.000 3 583 1567 60 PHE N N 115.123 0.000 1 584 1568 61 GLY H H 8.957 0.000 1 585 1568 61 GLY HA2 H 3.884 0.000 1 586 1568 61 GLY HA3 H 3.499 0.000 1 587 1568 61 GLY C C 176.703 0.000 1 588 1568 61 GLY CA C 43.954 0.000 1 589 1568 61 GLY N N 106.067 0.000 1 590 1569 62 GLN H H 9.232 0.000 1 591 1569 62 GLN HA H 4.015 0.000 1 592 1569 62 GLN HB2 H 1.960 0.000 2 593 1569 62 GLN HB3 H 2.084 0.000 2 594 1569 62 GLN HG2 H 2.288 0.000 2 595 1569 62 GLN HG3 H 2.295 0.000 2 596 1569 62 GLN HE21 H 6.563 0.000 1 597 1569 62 GLN HE22 H 7.218 0.000 1 598 1569 62 GLN CA C 60.203 0.000 1 599 1569 62 GLN CB C 29.962 0.000 1 600 1569 62 GLN CG C 34.916 0.000 1 601 1569 62 GLN N N 123.869 0.000 1 602 1569 62 GLN NE2 N 111.700 0.000 1 603 1570 63 THR H H 9.892 0.000 1 604 1570 63 THR HA H 3.795 0.000 1 605 1570 63 THR HB H 3.915 0.000 1 606 1570 63 THR HG2 H 0.729 0.000 1 607 1570 63 THR C C 175.502 0.000 1 608 1570 63 THR CA C 63.405 0.000 1 609 1570 63 THR CB C 69.776 0.000 1 610 1570 63 THR CG2 C 21.968 0.000 1 611 1570 63 THR N N 109.928 0.000 1 612 1571 64 ARG H H 6.925 0.000 1 613 1571 64 ARG HA H 2.875 0.000 1 614 1571 64 ARG HB2 H 1.270 0.000 2 615 1571 64 ARG HB3 H 1.167 0.000 2 616 1571 64 ARG HG2 H 1.167 0.000 2 617 1571 64 ARG HG3 H 1.270 0.000 2 618 1571 64 ARG HD2 H 3.063 0.000 1 619 1571 64 ARG HD3 H 2.755 0.000 1 620 1571 64 ARG HE H 6.299 0.000 1 621 1571 64 ARG C C 175.292 0.000 1 622 1571 64 ARG CA C 55.133 0.000 1 623 1571 64 ARG CB C 31.577 0.000 1 624 1571 64 ARG CG C 27.065 0.000 1 625 1571 64 ARG CD C 43.004 0.000 1 626 1571 64 ARG N N 116.808 0.000 1 627 1571 64 ARG NE N 86.547 0.000 1 628 1572 65 ILE H H 7.335 0.000 1 629 1572 65 ILE HA H 2.880 0.000 1 630 1572 65 ILE HB H -0.311 0.000 1 631 1572 65 ILE HG12 H 1.156 0.000 2 632 1572 65 ILE HG13 H 0.293 0.000 2 633 1572 65 ILE HG2 H 0.116 0.000 1 634 1572 65 ILE HD1 H 0.218 0.000 1 635 1572 65 ILE C C 175.144 0.000 1 636 1572 65 ILE CA C 63.886 0.000 1 637 1572 65 ILE CB C 38.421 0.000 1 638 1572 65 ILE CG1 C 28.738 0.000 1 639 1572 65 ILE CG2 C 18.277 0.000 1 640 1572 65 ILE CD1 C 15.251 0.000 1 641 1572 65 ILE N N 123.229 0.000 1 642 1573 66 SER H H 8.106 0.000 1 643 1573 66 SER HA H 5.351 0.000 1 644 1573 66 SER HB2 H 3.502 0.000 2 645 1573 66 SER HB3 H 2.795 0.000 2 646 1573 66 SER HG H 5.664 0.000 1 647 1573 66 SER C C 177.835 0.000 1 648 1573 66 SER CA C 57.597 0.000 1 649 1573 66 SER CB C 64.246 0.000 1 650 1573 66 SER N N 120.993 0.000 1 651 1574 67 VAL H H 8.606 0.000 1 652 1574 67 VAL HA H 4.413 0.000 1 653 1574 67 VAL HB H 2.032 0.000 1 654 1574 67 VAL HG1 H -0.025 0.000 2 655 1574 67 VAL HG2 H 0.302 0.000 2 656 1574 67 VAL C C 175.242 0.000 1 657 1574 67 VAL CA C 60.073 0.000 1 658 1574 67 VAL CB C 29.446 0.000 1 659 1574 67 VAL CG1 C 22.935 0.000 1 660 1574 67 VAL CG2 C 20.367 0.000 1 661 1574 67 VAL N N 120.478 0.000 1 662 1575 68 GLY H H 7.479 0.000 1 663 1575 68 GLY HA2 H 4.339 0.000 1 664 1575 68 GLY HA3 H 2.669 0.000 1 665 1575 68 GLY C C 174.237 0.000 1 666 1575 68 GLY CA C 45.935 0.000 1 667 1575 68 GLY N N 106.589 0.000 1 668 1576 69 LYS H H 8.614 0.000 1 669 1576 69 LYS HA H 3.930 0.000 1 670 1576 69 LYS HB2 H 1.439 0.000 2 671 1576 69 LYS HB3 H 1.547 0.000 2 672 1576 69 LYS HG2 H 1.438 0.000 2 673 1576 69 LYS HG3 H 1.015 0.000 2 674 1576 69 LYS HD2 H 1.432 0.000 1 675 1576 69 LYS HD3 H 1.395 0.000 1 676 1576 69 LYS HE2 H 2.682 0.000 1 677 1576 69 LYS HE3 H 2.791 0.000 1 678 1576 69 LYS C C 177.436 0.000 1 679 1576 69 LYS CA C 57.726 0.000 1 680 1576 69 LYS CB C 33.431 0.000 1 681 1576 69 LYS CG C 26.419 0.000 1 682 1576 69 LYS CD C 30.375 0.000 1 683 1576 69 LYS CE C 42.855 0.000 1 684 1576 69 LYS N N 126.527 0.000 1 685 1577 70 ALA H H 7.524 0.000 1 686 1577 70 ALA HA H 2.143 0.000 1 687 1577 70 ALA HB H 0.268 0.000 1 688 1577 70 ALA C C 177.126 0.000 1 689 1577 70 ALA CA C 52.625 0.000 1 690 1577 70 ALA CB C 19.147 0.000 1 691 1577 70 ALA N N 123.880 0.000 1 692 1578 71 ASN H H 6.587 0.000 1 693 1578 71 ASN HA H 4.274 0.000 1 694 1578 71 ASN HB2 H 0.922 0.000 2 695 1578 71 ASN HB3 H 2.622 0.000 2 696 1578 71 ASN HD21 H 7.584 0.000 2 697 1578 71 ASN HD22 H 7.707 0.000 2 698 1578 71 ASN C C 173.141 0.000 1 699 1578 71 ASN CA C 53.812 0.000 1 700 1578 71 ASN CB C 41.645 0.000 1 701 1578 71 ASN N N 113.604 0.000 1 702 1578 71 ASN ND2 N 119.186 0.000 1 703 1579 72 LYS H H 8.286 0.000 1 704 1579 72 LYS HA H 4.498 0.000 1 705 1579 72 LYS HB2 H 1.554 0.000 2 706 1579 72 LYS HB3 H 1.693 0.000 2 707 1579 72 LYS HG2 H 0.934 0.000 2 708 1579 72 LYS HG3 H 0.915 0.000 2 709 1579 72 LYS HD2 H 1.551 0.000 1 710 1579 72 LYS HD3 H 1.413 0.000 1 711 1579 72 LYS HE2 H 2.710 0.000 1 712 1579 72 LYS HE3 H 2.732 0.000 1 713 1579 72 LYS C C 177.079 0.000 1 714 1579 72 LYS CA C 55.396 0.000 1 715 1579 72 LYS CB C 33.444 0.000 1 716 1579 72 LYS CG C 25.220 0.000 1 717 1579 72 LYS CD C 30.473 0.000 1 718 1579 72 LYS CE C 43.536 0.000 1 719 1579 72 LYS N N 115.826 0.000 1 720 1580 73 ARG H H 8.144 0.000 1 721 1580 73 ARG HA H 4.308 0.000 1 722 1580 73 ARG HB2 H 1.271 0.000 2 723 1580 73 ARG HB3 H 1.544 0.000 2 724 1580 73 ARG HG2 H 1.439 0.000 2 725 1580 73 ARG HG3 H 1.297 0.000 2 726 1580 73 ARG HD2 H 2.915 0.000 1 727 1580 73 ARG HD3 H 2.874 0.000 1 728 1580 73 ARG HE H 7.067 0.000 1 729 1580 73 ARG C C 175.319 0.000 1 730 1580 73 ARG CA C 55.835 0.000 1 731 1580 73 ARG CB C 29.460 0.000 1 732 1580 73 ARG CG C 27.927 0.000 1 733 1580 73 ARG CD C 44.190 0.000 1 734 1580 73 ARG N N 123.081 0.000 1 735 1580 73 ARG NE N 85.230 0.000 1 736 1581 74 LEU H H 7.970 0.000 1 737 1581 74 LEU HA H 4.214 0.000 1 738 1581 74 LEU HB2 H 0.675 0.000 2 739 1581 74 LEU HB3 H 1.250 0.000 2 740 1581 74 LEU HG H 0.646 0.000 1 741 1581 74 LEU HD1 H 0.289 0.000 2 742 1581 74 LEU HD2 H 0.212 0.000 2 743 1581 74 LEU C C 176.583 0.000 1 744 1581 74 LEU CA C 55.337 0.000 1 745 1581 74 LEU CB C 45.247 0.000 1 746 1581 74 LEU CG C 25.040 0.000 1 747 1581 74 LEU CD1 C 25.407 0.000 1 748 1581 74 LEU CD2 C 26.629 0.000 1 749 1581 74 LEU N N 129.466 0.000 1 750 1582 75 ARG H H 8.526 0.000 1 751 1582 75 ARG HA H 4.639 0.000 1 752 1582 75 ARG HB2 H 1.480 0.000 2 753 1582 75 ARG HB3 H 1.412 0.000 2 754 1582 75 ARG HG2 H 1.422 0.000 2 755 1582 75 ARG HG3 H 1.289 0.000 2 756 1582 75 ARG HD2 H 2.839 0.000 1 757 1582 75 ARG HD3 H 2.878 0.000 1 758 1582 75 ARG HE H 6.855 0.000 1 759 1582 75 ARG C C 175.376 0.000 1 760 1582 75 ARG CA C 55.246 0.000 1 761 1582 75 ARG CB C 34.556 0.000 1 762 1582 75 ARG CG C 27.941 0.000 1 763 1582 75 ARG CD C 44.256 0.000 1 764 1582 75 ARG N N 123.453 0.000 1 765 1582 75 ARG NE N 84.784 0.000 1 766 1583 76 TYR H H 8.550 0.000 1 767 1583 76 TYR HA H 4.506 0.000 1 768 1583 76 TYR HB2 H 2.765 0.000 2 769 1583 76 TYR HB3 H 2.253 0.000 2 770 1583 76 TYR HD1 H 6.475 0.000 3 771 1583 76 TYR HD2 H 6.475 0.000 1 772 1583 76 TYR HE1 H 6.520 0.000 3 773 1583 76 TYR HE2 H 6.520 0.000 3 774 1583 76 TYR C C 175.453 0.000 1 775 1583 76 TYR CA C 58.286 0.000 1 776 1583 76 TYR CB C 40.793 0.000 1 777 1583 76 TYR N N 125.016 0.000 1 778 1584 77 VAL H H 8.337 0.000 1 779 1584 77 VAL HA H 3.866 0.000 1 780 1584 77 VAL HB H 1.492 0.000 1 781 1584 77 VAL HG1 H 0.406 0.000 2 782 1584 77 VAL HG2 H -0.233 0.000 2 783 1584 77 VAL C C 175.545 0.000 1 784 1584 77 VAL CA C 60.957 0.000 1 785 1584 77 VAL CB C 34.076 0.000 1 786 1584 77 VAL CG1 C 20.703 0.000 1 787 1584 77 VAL CG2 C 23.587 0.000 1 788 1584 77 VAL N N 128.199 0.000 1 789 1585 78 ASP H H 8.592 0.000 1 790 1585 78 ASP HA H 3.869 0.000 1 791 1585 78 ASP HB2 H 2.192 0.000 2 792 1585 78 ASP HB3 H 2.534 0.000 2 793 1585 78 ASP C C 174.903 0.000 1 794 1585 78 ASP CA C 56.173 0.000 1 795 1585 78 ASP CB C 39.453 0.000 1 796 1585 78 ASP N N 126.060 0.000 1 797 1586 79 GLN H H 6.176 0.000 1 798 1586 79 GLN HA H 3.199 0.000 1 799 1586 79 GLN HB2 H 2.174 0.000 2 800 1586 79 GLN HB3 H 2.076 0.000 2 801 1586 79 GLN HG2 H 2.104 0.000 2 802 1586 79 GLN HG3 H 1.957 0.000 2 803 1586 79 GLN HE21 H 6.479 0.000 1 804 1586 79 GLN HE22 H 7.175 0.000 1 805 1586 79 GLN C C 175.173 0.000 1 806 1586 79 GLN CA C 59.109 0.000 1 807 1586 79 GLN CB C 28.402 0.000 1 808 1586 79 GLN CG C 35.698 0.000 1 809 1586 79 GLN N N 104.360 0.000 1 810 1586 79 GLN NE2 N 112.079 0.000 1 811 1587 80 VAL H H 7.282 0.000 1 812 1587 80 VAL HA H 4.112 0.000 1 813 1587 80 VAL HB H 1.759 0.000 1 814 1587 80 VAL HG1 H 0.505 0.000 2 815 1587 80 VAL HG2 H 0.536 0.000 2 816 1587 80 VAL C C 175.038 0.000 1 817 1587 80 VAL CA C 61.182 0.000 1 818 1587 80 VAL CB C 34.825 0.000 1 819 1587 80 VAL CG1 C 21.406 0.000 1 820 1587 80 VAL CG2 C 21.500 0.000 1 821 1587 80 VAL N N 120.308 0.000 1 822 1588 81 LEU H H 7.825 0.000 1 823 1588 81 LEU HA H 5.033 0.000 1 824 1588 81 LEU HB2 H 0.932 0.000 2 825 1588 81 LEU HB3 H 1.395 0.000 2 826 1588 81 LEU HG H 0.978 0.000 1 827 1588 81 LEU HD1 H -0.231 0.000 2 828 1588 81 LEU HD2 H 0.073 0.000 2 829 1588 81 LEU C C 177.890 0.000 1 830 1588 81 LEU CA C 52.855 0.000 1 831 1588 81 LEU CB C 43.341 0.000 1 832 1588 81 LEU CG C 27.662 0.000 1 833 1588 81 LEU CD1 C 23.907 0.000 1 834 1588 81 LEU CD2 C 25.967 0.000 1 835 1588 81 LEU N N 122.110 0.000 1 836 1589 82 GLN H H 9.002 0.000 1 837 1589 82 GLN HA H 5.590 0.000 1 838 1589 82 GLN HB2 H 1.461 0.000 2 839 1589 82 GLN HB3 H 1.362 0.000 2 840 1589 82 GLN HG2 H 1.787 0.000 2 841 1589 82 GLN HG3 H 1.750 0.000 2 842 1589 82 GLN HE21 H 6.307 0.000 1 843 1589 82 GLN HE22 H 6.616 0.000 1 844 1589 82 GLN C C 176.130 0.000 1 845 1589 82 GLN CA C 55.648 0.000 1 846 1589 82 GLN CB C 35.843 0.000 1 847 1589 82 GLN CG C 35.905 0.000 1 848 1589 82 GLN N N 121.692 0.000 1 849 1589 82 GLN NE2 N 109.461 0.000 1 850 1590 83 LEU H H 8.596 0.000 1 851 1590 83 LEU HA H 4.465 0.000 1 852 1590 83 LEU HB2 H 1.062 0.000 2 853 1590 83 LEU HB3 H 1.092 0.000 2 854 1590 83 LEU HG H 1.195 0.000 1 855 1590 83 LEU HD1 H 0.761 0.000 2 856 1590 83 LEU HD2 H 0.634 0.000 2 857 1590 83 LEU C C 175.605 0.000 1 858 1590 83 LEU CA C 54.312 0.000 1 859 1590 83 LEU CB C 48.023 0.000 1 860 1590 83 LEU CG C 26.222 0.000 1 861 1590 83 LEU CD1 C 26.438 0.000 1 862 1590 83 LEU CD2 C 24.966 0.000 1 863 1590 83 LEU N N 126.163 0.000 1 864 1591 84 VAL H H 8.990 0.000 1 865 1591 84 VAL HA H 4.623 0.000 1 866 1591 84 VAL HB H 1.694 0.000 1 867 1591 84 VAL HG1 H 0.591 0.000 2 868 1591 84 VAL HG2 H 0.481 0.000 2 869 1591 84 VAL C C 177.215 0.000 1 870 1591 84 VAL CA C 61.640 0.000 1 871 1591 84 VAL CB C 34.613 0.000 1 872 1591 84 VAL CG1 C 21.676 0.000 1 873 1591 84 VAL CG2 C 21.123 0.000 1 874 1591 84 VAL N N 122.656 0.000 1 875 1592 85 TYR H H 9.050 0.000 1 876 1592 85 TYR HA H 4.879 0.000 1 877 1592 85 TYR HB2 H 2.813 0.000 2 878 1592 85 TYR HB3 H 2.542 0.000 2 879 1592 85 TYR HD1 H 6.493 0.000 3 880 1592 85 TYR HD2 H 6.493 0.000 1 881 1592 85 TYR HE1 H 6.602 0.000 3 882 1592 85 TYR HE2 H 6.602 0.000 3 883 1592 85 TYR HH H 9.901 0.000 1 884 1592 85 TYR C C 175.198 0.000 1 885 1592 85 TYR CA C 52.914 0.000 1 886 1592 85 TYR CB C 38.581 0.000 1 887 1592 85 TYR CD1 C 134.047 0.000 3 888 1592 85 TYR CD2 C 134.047 0.000 3 889 1592 85 TYR N N 129.344 0.000 1 890 1593 86 LYS H H 8.573 0.000 1 891 1593 86 LYS HA H 4.657 0.000 1 892 1593 86 LYS HB2 H 1.570 0.000 2 893 1593 86 LYS HB3 H 1.414 0.000 2 894 1593 86 LYS HG2 H 1.078 0.000 2 895 1593 86 LYS HG3 H 1.095 0.000 2 896 1593 86 LYS HD2 H 1.385 0.000 1 897 1593 86 LYS HD3 H 1.428 0.000 1 898 1593 86 LYS HE2 H 2.559 0.000 1 899 1593 86 LYS HE3 H 2.656 0.000 1 900 1593 86 LYS C C 176.058 0.000 1 901 1593 86 LYS CA C 55.067 0.000 1 902 1593 86 LYS CB C 36.004 0.000 1 903 1593 86 LYS CG C 25.210 0.000 1 904 1593 86 LYS CD C 30.386 0.000 1 905 1593 86 LYS CE C 42.527 0.000 1 906 1593 86 LYS N N 122.256 0.000 1 907 1594 87 ASP H H 8.739 0.000 1 908 1594 87 ASP HA H 3.991 0.000 1 909 1594 87 ASP HB2 H 2.612 0.000 2 910 1594 87 ASP HB3 H 2.576 0.000 2 911 1594 87 ASP C C 177.516 0.000 1 912 1594 87 ASP CA C 56.310 0.000 1 913 1594 87 ASP CB C 39.148 0.000 1 914 1594 87 ASP N N 115.762 0.000 1 915 1595 88 GLY H H 7.585 0.000 1 916 1595 88 GLY HA2 H 3.187 0.000 1 917 1595 88 GLY HA3 H 3.885 0.000 1 918 1595 88 GLY C C 173.140 0.000 1 919 1595 88 GLY CA C 45.481 0.000 1 920 1595 88 GLY N N 103.173 0.000 1 921 1596 89 SER H H 8.673 0.000 1 922 1596 89 SER HA H 4.312 0.000 1 923 1596 89 SER HB2 H 3.834 0.000 2 924 1596 89 SER HB3 H 3.624 0.000 2 925 1596 89 SER CA C 60.439 0.000 1 926 1596 89 SER CB C 63.003 0.000 1 927 1596 89 SER N N 116.343 0.000 1 928 1597 90 PRO HA H 4.023 0.000 1 929 1597 90 PRO HB2 H 1.407 0.000 2 930 1597 90 PRO HB3 H 1.938 0.000 2 931 1597 90 PRO HG2 H 1.752 0.000 2 932 1597 90 PRO HG3 H 1.632 0.000 2 933 1597 90 PRO HD2 H 3.391 0.000 1 934 1597 90 PRO HD3 H 3.267 0.000 1 935 1597 90 PRO C C 175.939 0.000 1 936 1597 90 PRO CA C 64.305 0.000 1 937 1597 90 PRO CB C 32.567 0.000 1 938 1597 90 PRO CG C 28.027 0.000 1 939 1598 91 CYS H H 8.017 0.000 1 940 1598 91 CYS HA H 4.360 0.000 1 941 1598 91 CYS CA C 52.629 0.000 1 942 1598 91 CYS N N 121.694 0.000 1 943 1599 92 PRO HA H 4.162 0.000 1 944 1599 92 PRO HB2 H 1.531 0.000 2 945 1599 92 PRO HB3 H 1.883 0.000 2 946 1599 92 PRO HD3 H 2.719 0.000 1 947 1599 92 PRO C C 176.050 0.000 1 948 1599 92 PRO CA C 63.971 0.000 1 949 1599 92 PRO CB C 29.562 0.000 1 950 1599 92 PRO CD C 47.735 0.000 1 951 1600 93 SER H H 7.836 0.000 1 952 1600 93 SER HA H 4.326 0.000 1 953 1600 93 SER HB2 H 4.390 0.000 2 954 1600 93 SER HB3 H 3.530 0.000 2 955 1600 93 SER C C 175.156 0.000 1 956 1600 93 SER CA C 58.373 0.000 1 957 1600 93 SER CB C 65.336 0.000 1 958 1600 93 SER N N 123.224 0.000 1 959 1601 94 LYS H H 9.009 0.000 1 960 1601 94 LYS HA H 3.995 0.000 1 961 1601 94 LYS HB2 H 1.515 0.000 2 962 1601 94 LYS HB3 H 1.604 0.000 2 963 1601 94 LYS HG2 H 1.138 0.000 2 964 1601 94 LYS HG3 H 1.078 0.000 2 965 1601 94 LYS HD2 H 1.355 0.000 1 966 1601 94 LYS HD3 H 1.337 0.000 1 967 1601 94 LYS HE2 H 2.630 0.000 1 968 1601 94 LYS HE3 H 2.725 0.000 1 969 1601 94 LYS C C 178.604 0.000 1 970 1601 94 LYS CA C 58.902 0.000 1 971 1601 94 LYS CB C 32.888 0.000 1 972 1601 94 LYS CG C 26.027 0.000 1 973 1601 94 LYS CD C 29.800 0.000 1 974 1601 94 LYS CE C 42.825 0.000 1 975 1601 94 LYS N N 125.377 0.000 1 976 1602 95 SER H H 7.806 0.000 1 977 1602 95 SER HA H 4.265 0.000 1 978 1602 95 SER HB2 H 3.490 0.000 2 979 1602 95 SER HB3 H 3.523 0.000 2 980 1602 95 SER C C 175.765 0.000 1 981 1602 95 SER CA C 58.340 0.000 1 982 1602 95 SER CB C 64.280 0.000 1 983 1602 95 SER N N 111.332 0.000 1 984 1603 96 GLY H H 7.339 0.000 1 985 1603 96 GLY HA2 H 3.492 0.000 1 986 1603 96 GLY HA3 H 3.651 0.000 1 987 1603 96 GLY C C 175.985 0.000 1 988 1603 96 GLY CA C 47.968 0.000 1 989 1603 96 GLY N N 110.284 0.000 1 990 1604 97 LEU H H 7.061 0.000 1 991 1604 97 LEU HA H 3.986 0.000 1 992 1604 97 LEU HB2 H 1.027 0.000 2 993 1604 97 LEU HB3 H 1.318 0.000 2 994 1604 97 LEU HG H 1.162 0.000 1 995 1604 97 LEU HD1 H 0.469 0.000 2 996 1604 97 LEU HD2 H 0.498 0.000 2 997 1604 97 LEU C C 176.908 0.000 1 998 1604 97 LEU CA C 55.076 0.000 1 999 1604 97 LEU CB C 44.026 0.000 1 1000 1604 97 LEU CG C 26.327 0.000 1 1001 1604 97 LEU CD1 C 22.709 0.000 1 1002 1604 97 LEU CD2 C 26.713 0.000 1 1003 1604 97 LEU N N 118.525 0.000 1 1004 1605 98 SER H H 7.638 0.000 1 1005 1605 98 SER HA H 4.510 0.000 1 1006 1605 98 SER HB2 H 3.278 0.000 2 1007 1605 98 SER HB3 H 3.391 0.000 2 1008 1605 98 SER C C 174.772 0.000 1 1009 1605 98 SER CA C 57.305 0.000 1 1010 1605 98 SER CB C 66.654 0.000 1 1011 1605 98 SER N N 115.118 0.000 1 1012 1606 99 TYR H H 8.026 0.000 1 1013 1606 99 TYR HA H 4.723 0.000 1 1014 1606 99 TYR HB2 H 2.568 0.000 2 1015 1606 99 TYR HB3 H 2.616 0.000 2 1016 1606 99 TYR HD1 H 6.703 0.000 3 1017 1606 99 TYR HD2 H 6.703 0.000 1 1018 1606 99 TYR HE1 H 6.594 0.000 3 1019 1606 99 TYR HE2 H 6.594 0.000 3 1020 1606 99 TYR C C 176.742 0.000 1 1021 1606 99 TYR CA C 60.744 0.000 1 1022 1606 99 TYR CB C 42.686 0.000 1 1023 1606 99 TYR N N 119.507 0.000 1 1024 1607 100 LYS H H 7.933 0.000 1 1025 1607 100 LYS HA H 4.690 0.000 1 1026 1607 100 LYS HB2 H 1.605 0.000 2 1027 1607 100 LYS HB3 H 1.581 0.000 2 1028 1607 100 LYS HG2 H 1.179 0.000 2 1029 1607 100 LYS HG3 H 0.942 0.000 2 1030 1607 100 LYS HD2 H 1.193 0.000 1 1031 1607 100 LYS HD3 H 1.229 0.000 1 1032 1607 100 LYS HE2 H 2.579 0.000 1 1033 1607 100 LYS HE3 H 2.535 0.000 1 1034 1607 100 LYS C C 175.492 0.000 1 1035 1607 100 LYS CA C 55.573 0.000 1 1036 1607 100 LYS CB C 37.050 0.000 1 1037 1607 100 LYS CG C 24.298 0.000 1 1038 1607 100 LYS CD C 30.292 0.000 1 1039 1607 100 LYS CE C 42.416 0.000 1 1040 1607 100 LYS N N 116.832 0.000 1 1041 1608 101 SER H H 8.907 0.000 1 1042 1608 101 SER HA H 5.275 0.000 1 1043 1608 101 SER HB2 H 3.309 0.000 2 1044 1608 101 SER HB3 H 3.410 0.000 2 1045 1608 101 SER C C 173.025 0.000 1 1046 1608 101 SER CA C 59.500 0.000 1 1047 1608 101 SER CB C 67.553 0.000 1 1048 1608 101 SER N N 116.987 0.000 1 1049 1609 102 VAL H H 8.831 0.000 1 1050 1609 102 VAL HA H 4.109 0.000 1 1051 1609 102 VAL HB H 1.566 0.000 1 1052 1609 102 VAL HG1 H 0.533 0.000 2 1053 1609 102 VAL HG2 H 0.321 0.000 2 1054 1609 102 VAL C C 175.854 0.000 1 1055 1609 102 VAL CA C 61.989 0.000 1 1056 1609 102 VAL CB C 33.456 0.000 1 1057 1609 102 VAL CG1 C 21.405 0.000 1 1058 1609 102 VAL CG2 C 21.094 0.000 1 1059 1609 102 VAL N N 125.411 0.000 1 1060 1610 103 ILE H H 8.973 0.000 1 1061 1610 103 ILE HA H 4.003 0.000 1 1062 1610 103 ILE HB H 1.197 0.000 1 1063 1610 103 ILE HG12 H -0.023 0.000 2 1064 1610 103 ILE HG13 H 0.775 0.000 2 1065 1610 103 ILE HG2 H -0.200 0.000 1 1066 1610 103 ILE HD1 H -0.197 0.000 1 1067 1610 103 ILE C C 175.160 0.000 1 1068 1610 103 ILE CA C 61.650 0.000 1 1069 1610 103 ILE CB C 40.404 0.000 1 1070 1610 103 ILE CG1 C 28.120 0.000 1 1071 1610 103 ILE CG2 C 18.943 0.000 1 1072 1610 103 ILE CD1 C 14.312 0.000 1 1073 1610 103 ILE N N 129.478 0.000 1 1074 1611 104 SER H H 7.824 0.000 1 1075 1611 104 SER HA H 4.978 0.000 1 1076 1611 104 SER HB2 H 3.486 0.000 2 1077 1611 104 SER HB3 H 3.226 0.000 2 1078 1611 104 SER C C 173.151 0.000 1 1079 1611 104 SER CA C 58.093 0.000 1 1080 1611 104 SER CB C 64.901 0.000 1 1081 1611 104 SER N N 121.808 0.000 1 1082 1612 105 PHE H H 9.285 0.000 1 1083 1612 105 PHE HA H 5.017 0.000 1 1084 1612 105 PHE HB2 H 2.500 0.000 2 1085 1612 105 PHE HB3 H 2.061 0.000 2 1086 1612 105 PHE HD1 H 6.315 0.000 3 1087 1612 105 PHE HD2 H 6.315 0.000 1 1088 1612 105 PHE HE1 H 6.476 0.000 3 1089 1612 105 PHE HE2 H 6.476 0.000 3 1090 1612 105 PHE HZ H 6.064 0.000 1 1091 1612 105 PHE C C 175.040 0.000 1 1092 1612 105 PHE CA C 56.806 0.000 1 1093 1612 105 PHE CB C 39.685 0.000 1 1094 1612 105 PHE CD1 C 132.582 0.000 3 1095 1612 105 PHE CD2 C 132.582 0.000 3 1096 1612 105 PHE N N 124.539 0.000 1 1097 1613 106 VAL H H 7.972 0.000 1 1098 1613 106 VAL HA H 4.058 0.000 1 1099 1613 106 VAL HB H 0.959 0.000 1 1100 1613 106 VAL HG1 H 0.504 0.000 2 1101 1613 106 VAL HG2 H 0.277 0.000 2 1102 1613 106 VAL C C 176.151 0.000 1 1103 1613 106 VAL CA C 60.413 0.000 1 1104 1613 106 VAL CB C 35.845 0.000 1 1105 1613 106 VAL CG1 C 21.773 0.000 1 1106 1613 106 VAL CG2 C 20.467 0.000 1 1107 1613 106 VAL N N 120.550 0.000 1 1108 1614 107 CYS H H 8.807 0.000 1 1109 1614 107 CYS HA H 4.058 0.000 1 1110 1614 107 CYS HB2 H 2.468 0.000 2 1111 1614 107 CYS HB3 H 2.752 0.000 2 1112 1614 107 CYS C C 175.861 0.000 1 1113 1614 107 CYS CA C 57.662 0.000 1 1114 1614 107 CYS CB C 39.415 0.000 1 1115 1614 107 CYS N N 124.104 0.000 1 1116 1615 108 ARG H H 6.841 0.000 1 1117 1615 108 ARG HA H 4.391 0.000 1 1118 1615 108 ARG HB2 H 1.406 0.000 2 1119 1615 108 ARG HB3 H 1.309 0.000 2 1120 1615 108 ARG HG2 H 1.293 0.000 2 1121 1615 108 ARG HG3 H 1.313 0.000 2 1122 1615 108 ARG HD2 H 2.810 0.000 1 1123 1615 108 ARG HD3 H 2.922 0.000 1 1124 1615 108 ARG HE H 6.821 0.000 1 1125 1615 108 ARG CA C 54.370 0.000 1 1126 1615 108 ARG CB C 34.070 0.000 1 1127 1615 108 ARG CG C 27.699 0.000 1 1128 1615 108 ARG CD C 44.019 0.000 1 1129 1615 108 ARG N N 130.722 0.000 1 1130 1615 108 ARG NE N 85.043 0.000 1 1131 1616 109 PRO HA H 4.004 0.000 1 1132 1616 109 PRO HB2 H 1.697 0.000 2 1133 1616 109 PRO HB3 H 1.963 0.000 2 1134 1616 109 PRO HG2 H 1.704 0.000 2 1135 1616 109 PRO HD2 H 3.457 0.000 1 1136 1616 109 PRO HD3 H 3.476 0.000 1 1137 1616 109 PRO C C 177.541 0.000 1 1138 1616 109 PRO CA C 65.284 0.000 1 1139 1616 109 PRO CB C 32.712 0.000 1 1140 1616 109 PRO CG C 27.819 0.000 1 1141 1616 109 PRO CD C 51.544 0.000 1 1142 1617 110 GLU H H 7.668 0.000 1 1143 1617 110 GLU HA H 4.069 0.000 1 1144 1617 110 GLU HB2 H 1.694 0.000 2 1145 1617 110 GLU HB3 H 1.613 0.000 2 1146 1617 110 GLU HG2 H 1.972 0.000 2 1147 1617 110 GLU HG3 H 1.986 0.000 2 1148 1617 110 GLU C C 176.392 0.000 1 1149 1617 110 GLU CA C 56.580 0.000 1 1150 1617 110 GLU CB C 30.432 0.000 1 1151 1617 110 GLU CG C 35.517 0.000 1 1152 1617 110 GLU N N 117.110 0.000 1 1153 1618 111 ALA H H 7.931 0.000 1 1154 1618 111 ALA HA H 3.958 0.000 1 1155 1618 111 ALA HB H 1.119 0.000 1 1156 1618 111 ALA C C 178.330 0.000 1 1157 1618 111 ALA CA C 53.122 0.000 1 1158 1618 111 ALA CB C 19.980 0.000 1 1159 1618 111 ALA N N 125.252 0.000 1 1160 1619 112 GLY H H 7.772 0.000 1 1161 1619 112 GLY HA2 H 3.800 0.000 1 1162 1619 112 GLY HA3 H 3.946 0.000 1 1163 1619 112 GLY CA C 45.844 0.000 1 1164 1619 112 GLY N N 108.520 0.000 1 1165 1620 113 PRO HA H 4.215 0.000 1 1166 1620 113 PRO HB2 H 2.024 0.000 2 1167 1620 113 PRO HB3 H 1.710 0.000 2 1168 1620 113 PRO HG2 H 1.707 0.000 2 1169 1620 113 PRO HG3 H 1.751 0.000 2 1170 1620 113 PRO HD2 H 3.427 0.000 1 1171 1620 113 PRO HD3 H 3.316 0.000 1 1172 1620 113 PRO C C 178.378 0.000 1 1173 1620 113 PRO CA C 64.583 0.000 1 1174 1620 113 PRO CB C 32.881 0.000 1 1175 1620 113 PRO CG C 27.814 0.000 1 1176 1620 113 PRO CD C 50.926 0.000 1 1177 1621 114 THR H H 7.690 0.000 1 1178 1621 114 THR HA H 4.089 0.000 1 1179 1621 114 THR HB H 4.066 0.000 1 1180 1621 114 THR HG2 H 0.896 0.000 1 1181 1621 114 THR C C 175.423 0.000 1 1182 1621 114 THR CA C 62.633 0.000 1 1183 1621 114 THR CB C 69.781 0.000 1 1184 1621 114 THR CG2 C 22.347 0.000 1 1185 1621 114 THR N N 110.739 0.000 1 1186 1622 115 ASN H H 7.903 0.000 1 1187 1622 115 ASN HA H 4.843 0.000 1 1188 1622 115 ASN HB2 H 2.969 0.000 2 1189 1622 115 ASN HB3 H 2.784 0.000 2 1190 1622 115 ASN HD21 H 7.571 0.000 2 1191 1622 115 ASN HD22 H 6.765 0.000 2 1192 1622 115 ASN C C 174.210 0.000 1 1193 1622 115 ASN CA C 53.578 0.000 1 1194 1622 115 ASN CB C 38.708 0.000 1 1195 1622 115 ASN N N 123.673 0.000 1 1196 1622 115 ASN ND2 N 111.657 0.000 1 1197 1623 116 ARG H H 7.499 0.000 1 1198 1623 116 ARG HA H 3.558 0.000 1 1199 1623 116 ARG HB2 H 1.461 0.000 2 1200 1623 116 ARG HB3 H 1.135 0.000 2 1201 1623 116 ARG HG2 H 1.198 0.000 2 1202 1623 116 ARG HG3 H 1.149 0.000 2 1203 1623 116 ARG HD2 H 2.679 0.000 1 1204 1623 116 ARG HD3 H 2.889 0.000 1 1205 1623 116 ARG HE H 6.787 0.000 1 1206 1623 116 ARG CA C 53.114 0.000 1 1207 1623 116 ARG CB C 29.279 0.000 1 1208 1623 116 ARG CG C 26.766 0.000 1 1209 1623 116 ARG CD C 44.202 0.000 1 1210 1623 116 ARG N N 120.681 0.000 1 1211 1623 116 ARG NE N 85.380 0.000 1 1212 1624 117 PRO HA H 3.719 0.000 1 1213 1624 117 PRO HB2 H 2.152 0.000 2 1214 1624 117 PRO HB3 H 2.252 0.000 2 1215 1624 117 PRO C C 176.471 0.000 1 1216 1624 117 PRO CA C 62.780 0.000 1 1217 1624 117 PRO CB C 32.201 0.000 1 1218 1624 117 PRO CG C 26.608 0.000 1 1219 1625 118 MET H H 8.247 0.000 1 1220 1625 118 MET HA H 4.514 0.000 1 1221 1625 118 MET HB2 H 1.642 0.000 2 1222 1625 118 MET HB3 H 1.607 0.000 2 1223 1625 118 MET HG2 H 2.258 0.000 2 1224 1625 118 MET HE H 1.724 0.000 1 1225 1625 118 MET C C 176.478 0.000 1 1226 1625 118 MET CA C 54.240 0.000 1 1227 1625 118 MET CB C 36.101 0.000 1 1228 1625 118 MET CG C 32.264 0.000 1 1229 1625 118 MET CE C 17.470 0.000 1 1230 1625 118 MET N N 117.767 0.000 1 1231 1626 119 LEU H H 8.838 0.000 1 1232 1626 119 LEU HA H 3.805 0.000 1 1233 1626 119 LEU HB2 H 0.749 0.000 2 1234 1626 119 LEU HB3 H 1.572 0.000 2 1235 1626 119 LEU HG H 0.763 0.000 1 1236 1626 119 LEU HD1 H -0.118 0.000 2 1237 1626 119 LEU HD2 H 0.334 0.000 2 1238 1626 119 LEU C C 176.308 0.000 1 1239 1626 119 LEU CA C 55.918 0.000 1 1240 1626 119 LEU CB C 42.229 0.000 1 1241 1626 119 LEU CG C 27.845 0.000 1 1242 1626 119 LEU CD1 C 23.025 0.000 1 1243 1626 119 LEU CD2 C 27.773 0.000 1 1244 1626 119 LEU N N 126.504 0.000 1 1245 1627 120 ILE H H 8.829 0.000 1 1246 1627 120 ILE HA H 3.890 0.000 1 1247 1627 120 ILE HB H 1.529 0.000 1 1248 1627 120 ILE HG12 H 1.003 0.000 2 1249 1627 120 ILE HG13 H 1.008 0.000 2 1250 1627 120 ILE HG2 H 0.507 0.000 1 1251 1627 120 ILE HD1 H 0.387 0.000 1 1252 1627 120 ILE C C 177.523 0.000 1 1253 1627 120 ILE CA C 61.512 0.000 1 1254 1627 120 ILE CB C 38.173 0.000 1 1255 1627 120 ILE CG1 C 27.258 0.000 1 1256 1627 120 ILE CG2 C 18.182 0.000 1 1257 1627 120 ILE CD1 C 11.401 0.000 1 1258 1627 120 ILE N N 128.361 0.000 1 1259 1628 121 SER H H 7.172 0.000 1 1260 1628 121 SER HA H 4.148 0.000 1 1261 1628 121 SER HB2 H 3.369 0.000 2 1262 1628 121 SER HB3 H 3.425 0.000 2 1263 1628 121 SER C C 171.754 0.000 1 1264 1628 121 SER CA C 58.696 0.000 1 1265 1628 121 SER CB C 65.713 0.000 1 1266 1628 121 SER N N 110.948 0.000 1 1267 1629 122 LEU H H 7.767 0.000 1 1268 1629 122 LEU HA H 4.677 0.000 1 1269 1629 122 LEU HB2 H 1.364 0.000 2 1270 1629 122 LEU HB3 H 0.820 0.000 2 1271 1629 122 LEU HG H 0.827 0.000 1 1272 1629 122 LEU HD1 H 0.468 0.000 2 1273 1629 122 LEU HD2 H 0.452 0.000 2 1274 1629 122 LEU C C 176.073 0.000 1 1275 1629 122 LEU CA C 53.967 0.000 1 1276 1629 122 LEU CB C 45.225 0.000 1 1277 1629 122 LEU CD1 C 23.665 0.000 1 1278 1629 122 LEU CD2 C 26.730 0.000 1 1279 1629 122 LEU N N 122.860 0.000 1 1280 1630 123 ASP H H 9.194 0.000 1 1281 1630 123 ASP HA H 4.631 0.000 1 1282 1630 123 ASP HB2 H 2.723 0.000 2 1283 1630 123 ASP HB3 H 4.320 0.000 2 1284 1630 123 ASP C C 177.904 0.000 1 1285 1630 123 ASP CA C 53.720 0.000 1 1286 1630 123 ASP CB C 42.453 0.000 1 1287 1630 123 ASP N N 127.548 0.000 1 1288 1631 124 LYS H H 8.599 0.000 1 1289 1631 124 LYS HA H 3.452 0.000 1 1290 1631 124 LYS HB2 H 1.416 0.000 2 1291 1631 124 LYS HB3 H 1.536 0.000 2 1292 1631 124 LYS HG2 H 1.142 0.000 2 1293 1631 124 LYS HG3 H 1.055 0.000 2 1294 1631 124 LYS HD2 H 1.296 0.000 1 1295 1631 124 LYS HD3 H 1.397 0.000 1 1296 1631 124 LYS HE2 H 2.518 0.000 1 1297 1631 124 LYS HE3 H 2.724 0.000 1 1298 1631 124 LYS C C 178.382 0.000 1 1299 1631 124 LYS CA C 60.360 0.000 1 1300 1631 124 LYS CB C 32.466 0.000 1 1301 1631 124 LYS CG C 25.747 0.000 1 1302 1631 124 LYS CD C 29.293 0.000 1 1303 1631 124 LYS CE C 41.037 0.000 1 1304 1631 124 LYS N N 126.175 0.000 1 1305 1632 125 GLN H H 8.072 0.000 1 1306 1632 125 GLN HA H 3.798 0.000 1 1307 1632 125 GLN HB2 H 1.971 0.000 2 1308 1632 125 GLN HB3 H 1.824 0.000 2 1309 1632 125 GLN HG2 H 2.106 0.000 2 1310 1632 125 GLN HG3 H 2.097 0.000 2 1311 1632 125 GLN HE21 H 6.523 0.000 1 1312 1632 125 GLN HE22 H 7.198 0.000 1 1313 1632 125 GLN C C 180.785 0.000 1 1314 1632 125 GLN CA C 58.981 0.000 1 1315 1632 125 GLN CB C 29.430 0.000 1 1316 1632 125 GLN CG C 34.945 0.000 1 1317 1632 125 GLN N N 116.162 0.000 1 1318 1632 125 GLN NE2 N 112.084 0.000 1 1319 1633 126 THR H H 6.905 0.000 1 1320 1633 126 THR HA H 4.036 0.000 1 1321 1633 126 THR HB H 4.092 0.000 1 1322 1633 126 THR HG2 H 0.823 0.000 1 1323 1633 126 THR C C 175.083 0.000 1 1324 1633 126 THR CA C 61.418 0.000 1 1325 1633 126 THR CB C 71.002 0.000 1 1326 1633 126 THR CG2 C 21.236 0.000 1 1327 1633 126 THR N N 104.387 0.000 1 1328 1634 127 CYS H H 7.522 0.000 1 1329 1634 127 CYS HA H 3.232 0.000 1 1330 1634 127 CYS HB2 H 3.043 0.000 2 1331 1634 127 CYS HB3 H 2.695 0.000 2 1332 1634 127 CYS C C 172.638 0.000 1 1333 1634 127 CYS CA C 58.071 0.000 1 1334 1634 127 CYS CB C 41.759 0.000 1 1335 1634 127 CYS N N 116.480 0.000 1 1336 1635 128 THR H H 7.089 0.000 1 1337 1635 128 THR HA H 4.634 0.000 1 1338 1635 128 THR HB H 3.290 0.000 1 1339 1635 128 THR HG2 H -0.018 0.000 1 1340 1635 128 THR C C 173.326 0.000 1 1341 1635 128 THR CA C 62.828 0.000 1 1342 1635 128 THR CB C 70.993 0.000 1 1343 1635 128 THR CG2 C 22.830 0.000 1 1344 1635 128 THR N N 110.874 0.000 1 1345 1636 129 LEU H H 8.948 0.000 1 1346 1636 129 LEU HA H 4.250 0.000 1 1347 1636 129 LEU HB2 H 0.925 0.000 2 1348 1636 129 LEU HB3 H 1.640 0.000 2 1349 1636 129 LEU HG H 1.305 0.000 1 1350 1636 129 LEU HD1 H 0.519 0.000 2 1351 1636 129 LEU HD2 H 0.636 0.000 2 1352 1636 129 LEU C C 174.936 0.000 1 1353 1636 129 LEU CA C 56.865 0.000 1 1354 1636 129 LEU CB C 44.079 0.000 1 1355 1636 129 LEU CG C 32.299 0.000 1 1356 1636 129 LEU CD1 C 29.129 0.000 1 1357 1636 129 LEU CD2 C 25.327 0.000 1 1358 1636 129 LEU N N 130.581 0.000 1 1359 1637 130 PHE H H 8.213 0.000 1 1360 1637 130 PHE HA H 4.796 0.000 1 1361 1637 130 PHE HB2 H 2.501 0.000 2 1362 1637 130 PHE HB3 H 2.513 0.000 2 1363 1637 130 PHE HD1 H 6.820 0.000 3 1364 1637 130 PHE HD2 H 6.820 0.000 1 1365 1637 130 PHE HE1 H 6.938 0.000 3 1366 1637 130 PHE HE2 H 6.938 0.000 3 1367 1637 130 PHE C C 175.770 0.000 1 1368 1637 130 PHE CA C 58.118 0.000 1 1369 1637 130 PHE CB C 40.699 0.000 1 1370 1637 130 PHE CE1 C 130.664 0.000 3 1371 1637 130 PHE CE2 C 130.664 0.000 3 1372 1637 130 PHE N N 119.163 0.000 1 1373 1638 131 PHE H H 9.089 0.000 1 1374 1638 131 PHE HA H 5.395 0.000 1 1375 1638 131 PHE HB2 H 2.338 0.000 2 1376 1638 131 PHE HB3 H 2.501 0.000 2 1377 1638 131 PHE HD1 H 6.824 0.000 3 1378 1638 131 PHE HD2 H 6.824 0.000 1 1379 1638 131 PHE HE1 H 6.750 0.000 3 1380 1638 131 PHE HE2 H 6.750 0.000 3 1381 1638 131 PHE HZ H 6.884 0.000 1 1382 1638 131 PHE C C 176.948 0.000 1 1383 1638 131 PHE CA C 56.379 0.000 1 1384 1638 131 PHE CB C 43.561 0.000 1 1385 1638 131 PHE CD1 C 133.626 0.000 3 1386 1638 131 PHE CD2 C 133.626 0.000 3 1387 1638 131 PHE CE1 C 130.295 0.000 3 1388 1638 131 PHE CE2 C 130.295 0.000 3 1389 1638 131 PHE CZ C 128.291 0.000 1 1390 1638 131 PHE N N 120.317 0.000 1 1391 1639 132 SER H H 8.962 0.000 1 1392 1639 132 SER HA H 5.128 0.000 1 1393 1639 132 SER HB2 H 3.346 0.000 2 1394 1639 132 SER HB3 H 3.290 0.000 2 1395 1639 132 SER C C 174.359 0.000 1 1396 1639 132 SER CA C 57.298 0.000 1 1397 1639 132 SER CB C 67.071 0.000 1 1398 1639 132 SER N N 117.123 0.000 1 1399 1640 133 TRP H H 8.631 0.000 1 1400 1640 133 TRP HA H 4.560 0.000 1 1401 1640 133 TRP HB2 H 2.671 0.000 2 1402 1640 133 TRP HB3 H 1.950 0.000 2 1403 1640 133 TRP HD1 H 6.404 0.000 1 1404 1640 133 TRP HE1 H 9.285 0.000 1 1405 1640 133 TRP HE3 H 6.736 0.000 1 1406 1640 133 TRP C C 176.389 0.000 1 1407 1640 133 TRP CA C 56.084 0.000 1 1408 1640 133 TRP CB C 32.258 0.000 1 1409 1640 133 TRP CE3 C 117.392 0.000 1 1410 1640 133 TRP N N 129.306 0.000 1 1411 1640 133 TRP NE1 N 127.216 0.000 1 1412 1641 134 HIS H H 8.975 0.000 1 1413 1641 134 HIS HA H 5.156 0.000 1 1414 1641 134 HIS HB2 H 2.628 0.000 2 1415 1641 134 HIS HB3 H 3.024 0.000 2 1416 1641 134 HIS C C 174.056 0.000 1 1417 1641 134 HIS CA C 55.553 0.000 1 1418 1641 134 HIS CB C 29.143 0.000 1 1419 1641 134 HIS N N 127.182 0.000 1 1420 1642 135 THR H H 8.601 0.000 1 1421 1642 135 THR HA H 5.092 0.000 1 1422 1642 135 THR HB H 3.966 0.000 1 1423 1642 135 THR HG1 H 6.535 0.000 1 1424 1642 135 THR HG2 H 0.696 0.000 1 1425 1642 135 THR CA C 57.211 0.000 1 1426 1642 135 THR CB C 69.833 0.000 1 1427 1642 135 THR CG2 C 20.565 0.000 1 1428 1642 135 THR N N 119.951 0.000 1 1429 1643 136 PRO HA H 4.393 0.000 1 1430 1643 136 PRO HB2 H 1.641 0.000 2 1431 1643 136 PRO HB3 H 2.159 0.000 2 1432 1643 136 PRO HG2 H 1.634 0.000 2 1433 1643 136 PRO HG3 H 1.768 0.000 2 1434 1643 136 PRO HD2 H 3.758 0.000 1 1435 1643 136 PRO HD3 H 3.481 0.000 1 1436 1643 136 PRO C C 180.172 0.000 1 1437 1643 136 PRO CA C 65.280 0.000 1 1438 1643 136 PRO CB C 32.672 0.000 1 1439 1643 136 PRO CG C 27.850 0.000 1 1440 1643 136 PRO CD C 53.046 0.000 1 1441 1644 137 LEU H H 8.056 0.000 1 1442 1644 137 LEU HA H 3.824 0.000 1 1443 1644 137 LEU HB2 H 1.016 0.000 2 1444 1644 137 LEU HB3 H 1.105 0.000 2 1445 1644 137 LEU HG H 1.203 0.000 1 1446 1644 137 LEU HD1 H 0.573 0.000 2 1447 1644 137 LEU HD2 H 0.391 0.000 2 1448 1644 137 LEU C C 177.798 0.000 1 1449 1644 137 LEU CA C 57.087 0.000 1 1450 1644 137 LEU CB C 42.400 0.000 1 1451 1644 137 LEU CG C 27.775 0.000 1 1452 1644 137 LEU CD1 C 22.758 0.000 1 1453 1644 137 LEU CD2 C 26.247 0.000 1 1454 1644 137 LEU N N 118.529 0.000 1 1455 1645 138 ALA H H 6.777 0.000 1 1456 1645 138 ALA HA H 4.163 0.000 1 1457 1645 138 ALA HB H 0.785 0.000 1 1458 1645 138 ALA C C 175.970 0.000 1 1459 1645 138 ALA CA C 51.662 0.000 1 1460 1645 138 ALA CB C 19.642 0.000 1 1461 1645 138 ALA N N 116.698 0.000 1 1462 1646 139 CYS H H 7.248 0.000 1 1463 1646 139 CYS HA H 4.485 0.000 1 1464 1646 139 CYS HB2 H 2.870 0.000 2 1465 1646 139 CYS HB3 H 2.760 0.000 2 1466 1646 139 CYS C C 174.521 0.000 1 1467 1646 139 CYS CA C 54.822 0.000 1 1468 1646 139 CYS CB C 43.250 0.000 1 1469 1646 139 CYS N N 116.825 0.000 1 1470 1647 140 GLU H H 8.632 0.000 1 1471 1647 140 GLU HA H 3.359 0.000 1 1472 1647 140 GLU HB2 H 1.347 0.000 2 1473 1647 140 GLU HB3 H 1.326 0.000 2 1474 1647 140 GLU HG2 H 1.486 0.000 2 1475 1647 140 GLU HG3 H 1.226 0.000 2 1476 1647 140 GLU C C 175.418 0.000 1 1477 1647 140 GLU CA C 56.637 0.000 1 1478 1647 140 GLU CB C 30.671 0.000 1 1479 1647 140 GLU CG C 36.121 0.000 1 1480 1647 140 GLU N N 124.737 0.000 1 1481 1648 141 LEU H H 7.655 0.000 1 1482 1648 141 LEU HA H 4.020 0.000 1 1483 1648 141 LEU HB2 H 1.251 0.000 2 1484 1648 141 LEU HB3 H 1.266 0.000 2 1485 1648 141 LEU HG H 1.194 0.000 1 1486 1648 141 LEU HD1 H 0.533 0.000 2 1487 1648 141 LEU HD2 H 0.580 0.000 2 1488 1648 141 LEU C C 176.746 0.000 1 1489 1648 141 LEU CA C 55.376 0.000 1 1490 1648 141 LEU CB C 43.092 0.000 1 1491 1648 141 LEU CG C 27.724 0.000 1 1492 1648 141 LEU CD1 C 23.930 0.000 1 1493 1648 141 LEU CD2 C 25.573 0.000 1 1494 1648 141 LEU N N 123.858 0.000 1 1495 1649 142 ALA H H 7.588 0.000 1 1496 1649 142 ALA HA H 3.820 0.000 1 1497 1649 142 ALA HB H 0.991 0.000 1 1498 1649 142 ALA CA C 53.960 0.000 1 1499 1649 142 ALA CB C 20.622 0.000 1 1500 1649 142 ALA N N 129.538 0.000 1 stop_ save_ save_heteronuclear_T1_list_1 _Saveframe_category T1_relaxation _Details . _Sample_conditions_label $sample_conditions_2 _Spectrometer_frequency_1H 600 _T1_coherence_type Iz;Sz _T1_value_units s-1 _Mol_system_component_name Domain_11 _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 2 LYS N 1.1635 0.0053 2 3 SER N 1.1844 0.0048 3 4 ASN N 1.3155 0.0080 4 5 GLU N 1.3404 0.0071 5 6 HIS N 1.3910 0.0136 6 7 ASP N 1.3375 0.0153 7 8 ASP N 1.2961 0.0366 8 9 CYS N 1.0846 0.0952 9 10 GLN N 0.9664 0.0347 10 11 VAL N 0.9652 0.0320 11 12 THR N 1.0183 0.0360 12 15 SER N 0.8837 0.0208 13 16 THR N 0.8821 0.0381 14 17 GLY N 0.9286 0.0440 15 18 HIS N 1.1474 0.0382 16 19 LEU N 0.8527 0.0296 17 20 PHE N 0.9575 0.0312 18 21 ASP N 1.0119 0.0262 19 22 LEU N 0.9240 0.0563 20 23 SER N 0.9896 0.0374 21 24 SER N 1.1313 0.0376 22 25 LEU N 1.0029 0.0429 23 26 SER N 0.9140 0.0294 24 27 GLY N 1.0290 0.0434 25 28 ARG N 0.9549 0.0429 26 29 ALA N 0.8151 0.0216 27 30 GLY N 0.8065 0.0383 28 32 THR N 0.8317 0.0404 29 33 ALA N 0.9087 0.0667 30 34 ALA N 0.7488 0.0319 31 36 ALA N 0.8279 0.0411 32 37 LYS N 0.7768 0.0372 33 38 GLY N 0.7543 0.0403 34 39 TRP N 0.9776 0.0324 35 40 GLY N 0.8843 0.0415 36 41 VAL N 0.9548 0.0799 37 42 TYR N 0.8728 0.0630 38 43 MET N 1.0084 0.0445 39 45 ILE N 0.9380 0.1206 40 46 CYS N 1.0059 0.0802 41 47 GLY N 0.8554 0.0374 42 48 GLU N 0.8948 0.0377 43 49 ASN N 0.9167 0.0525 44 50 GLU N 0.8340 0.0669 45 51 ASN N 0.9014 0.0464 46 52 CYS N 0.8160 0.0286 47 55 GLY N 0.8965 0.0610 48 56 VAL N 0.9939 0.0353 49 57 GLY N 0.9333 0.0993 50 58 ALA N 0.9875 0.0372 51 59 CYS N 0.8871 0.0431 52 60 PHE N 0.9714 0.0563 53 61 GLY N 0.8825 0.0963 54 62 GLN N 0.8247 0.0625 55 63 THR N 0.9142 0.0836 56 64 ARG N 0.9895 0.0294 57 65 ILE N 0.9218 0.0581 58 67 VAL N 0.9629 0.0984 59 68 GLY N 0.8486 0.0578 60 70 ALA N 0.9573 0.0465 61 71 ASN N 0.8831 0.0386 62 72 LYS N 0.9092 0.0411 63 73 ARG N 0.7922 0.0287 64 74 LEU N 0.8571 0.0321 65 75 ARG N 0.9017 0.0404 66 76 TYR N 0.9432 0.0321 67 77 VAL N 0.9914 0.0286 68 79 GLN N 0.9099 0.0438 69 80 VAL N 1.0283 0.0202 70 81 LEU N 1.0905 0.0373 71 82 GLN N 0.8638 0.0368 72 84 VAL N 0.8039 0.0394 73 85 TYR N 0.8838 0.0481 74 86 LYS N 0.8039 0.0431 75 87 ASP N 0.9287 0.0454 76 88 GLY N 0.9824 0.0518 77 89 SER N 1.0166 0.0779 78 93 SER N 1.0411 0.0288 79 94 LYS N 0.9966 0.0482 80 95 SER N 0.9660 0.0281 81 96 GLY N 0.9285 0.0336 82 97 LEU N 0.9641 0.0522 83 98 SER N 0.8777 0.0374 84 99 TYR N 0.9602 0.0453 85 100 LYS N 1.0413 0.0408 86 101 SER N 0.8925 0.0425 87 102 VAL N 0.8014 0.0563 88 103 ILE N 0.9673 0.0507 89 104 SER N 0.8965 0.0391 90 105 PHE N 0.9371 0.0663 91 106 VAL N 1.1086 0.0442 92 107 CYS N 0.9643 0.0456 93 108 ARG N 0.9495 0.0428 94 110 GLU N 0.8983 0.0163 95 111 ALA N 1.0254 0.0146 96 112 GLY N 1.0379 0.0118 97 114 THR N 1.1139 0.0195 98 115 ASN N 1.2134 0.0211 99 116 ARG N 1.0232 0.0287 100 118 MET N 0.7480 0.0578 101 120 ILE N 0.8513 0.0973 102 121 SER N 0.8679 0.0377 103 122 LEU N 0.8821 0.0306 104 123 ASP N 0.8808 0.0462 105 125 GLN N 0.9123 0.0228 106 126 THR N 1.0125 0.0551 107 127 CYS N 0.9402 0.0440 108 128 THR N 0.9383 0.0361 109 129 LEU N 0.9264 0.0745 110 131 PHE N 0.9284 0.0710 111 132 SER N 0.8448 0.0487 112 133 TRP N 0.9169 0.0535 113 134 HIS N 0.8970 0.0619 114 135 THR N 0.9936 0.0506 115 137 LEU N 1.1992 0.0368 116 139 CYS N 0.9653 0.0235 117 140 GLU N 0.8532 0.0262 118 141 LEU N 1.3129 0.0079 119 142 ALA N 0.9046 0.0028 stop_ save_ save_heteronuclear_T1_list_2 _Saveframe_category T1_relaxation _Details . _Sample_conditions_label $sample_conditions_2 _Spectrometer_frequency_1H 600 _T1_coherence_type Iz;Sz _T1_value_units s-1 _Mol_system_component_name Domain_11 _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 2 LYS N 0.9338 0.0076 2 3 SER N 1.0296 0.0057 3 4 ASN N 1.1314 0.0098 4 5 GLU N 1.0898 0.0075 5 6 HIS N 1.0358 0.0156 6 7 ASP N 0.9102 0.0179 7 8 ASP N 1.0114 0.0551 8 9 CYS N 0.4269 0.1261 9 10 GLN N 0.5444 0.0344 10 11 VAL N 0.5060 0.0256 11 12 THR N 0.5682 0.0270 12 15 SER N 0.4824 0.0171 13 16 THR N 0.4379 0.0234 14 17 GLY N 0.4901 0.0315 15 18 HIS N 0.5971 0.0277 16 19 LEU N 0.4706 0.0254 17 20 PHE N 0.5084 0.0286 18 21 ASP N 0.5081 0.0203 19 22 LEU N 0.4377 0.0488 20 23 SER N 0.4804 0.0324 21 24 SER N 0.6016 0.0304 22 25 LEU N 0.5546 0.0313 23 26 SER N 0.4376 0.0232 24 27 GLY N 0.5050 0.0374 25 28 ARG N 0.4178 0.0311 26 29 ALA N 0.4311 0.0192 27 30 GLY N 0.4015 0.0224 28 32 THR N 0.4164 0.0287 29 33 ALA N 0.5443 0.0567 30 34 ALA N 0.4047 0.0282 31 36 ALA N 0.5241 0.0354 32 37 LYS N 0.4835 0.0567 33 38 GLY N 0.4503 0.0321 34 39 TRP N 0.5266 0.0255 35 40 GLY N 0.4758 0.0312 36 41 VAL N 0.4178 0.0772 37 42 TYR N 0.4247 0.0533 38 43 MET N 0.4891 0.0298 39 45 ILE N 0.3775 0.1086 40 46 CYS N 0.4126 0.0469 41 47 GLY N 0.5041 0.0186 42 48 GLU N 0.4741 0.0255 43 49 ASN N 0.4720 0.0346 44 50 GLU N 0.4821 0.0595 45 51 ASN N 0.5584 0.0366 46 52 CYS N 0.4100 0.0218 47 55 GLY N 0.4581 0.0448 48 56 VAL N 0.5419 0.0272 49 57 GLY N 0.5206 0.0737 50 58 ALA N 0.4882 0.0206 51 59 CYS N 0.5317 0.0368 52 60 PHE N 0.4817 0.0382 53 61 GLY N 0.3944 0.0634 54 62 GLN N 0.5567 0.0759 55 63 THR N 0.4253 0.0906 56 64 ARG N 0.5028 0.0284 57 65 ILE N 0.4861 0.0431 58 67 VAL N 0.6270 0.0761 59 68 GLY N 0.4873 0.0369 60 70 ALA N 0.4989 0.0371 61 71 ASN N 0.4711 0.0244 62 72 LYS N 0.4800 0.0319 63 73 ARG N 0.4173 0.0262 64 74 LEU N 0.4765 0.0328 65 75 ARG N 0.5055 0.0368 66 76 TYR N 0.5231 0.0247 67 77 VAL N 0.5752 0.0252 68 79 GLN N 0.4804 0.0290 69 80 VAL N 0.6248 0.0174 70 81 LEU N 0.6671 0.0316 71 82 GLN N 0.3969 0.0332 72 84 VAL N 0.3968 0.0382 73 85 TYR N 0.4978 0.0541 74 86 LYS N 0.4036 0.0389 75 87 ASP N 0.5700 0.0385 76 88 GLY N 0.5359 0.0309 77 89 SER N 0.5087 0.0598 78 93 SER N 0.5923 0.0261 79 94 LYS N 0.6460 0.0652 80 95 SER N 0.5954 0.0218 81 96 GLY N 0.5316 0.0294 82 97 LEU N 0.5168 0.0381 83 98 SER N 0.4648 0.0315 84 99 TYR N 0.5952 0.0376 85 100 LYS N 0.5778 0.0328 86 101 SER N 0.4694 0.0371 87 102 VAL N 0.4328 0.0477 88 103 ILE N 0.4212 0.0453 89 104 SER N 0.5082 0.0320 90 105 PHE N 0.4827 0.0612 91 106 VAL N 0.5846 0.0370 92 107 CYS N 0.4690 0.0378 93 108 ARG N 0.4905 0.0423 94 110 GLU N 0.5986 0.0157 95 111 ALA N 0.7215 0.0146 96 112 GLY N 0.7267 0.0101 97 114 THR N 0.7299 0.0164 98 115 ASN N 0.8319 0.0215 99 116 ARG N 0.6305 0.0218 100 118 MET N 0.4682 0.0448 101 120 ILE N 0.4662 0.0846 102 121 SER N 0.4926 0.0259 103 122 LEU N 0.5668 0.0275 104 123 ASP N 0.5018 0.0541 105 125 GLN N 0.5534 0.0199 106 126 THR N 0.4840 0.0318 107 127 CYS N 0.5607 0.0428 108 128 THR N 0.4128 0.0244 109 129 LEU N 0.4685 0.0833 110 131 PHE N 0.5573 0.0572 111 132 SER N 0.4805 0.0470 112 133 TRP N 0.5663 0.0545 113 134 HIS N 0.4008 0.0526 114 135 THR N 0.5027 0.0345 115 137 LEU N 0.7478 0.0584 116 139 CYS N 0.5582 0.0195 117 140 GLU N 0.4693 0.0221 118 141 LEU N 1.0567 0.0096 119 142 ALA N 0.8094 0.0039 stop_ save_ save_heteronuclear_T2_list_1 _Saveframe_category T2_relaxation _Details . _Sample_conditions_label $sample_conditions_2 _Spectrometer_frequency_1H 600 _T2_coherence_type I(+,-)S(+,-) _T2_value_units s-1 _Mol_system_component_name Domain_11 _Text_data_format . _Text_data . loop_ _T2_ID _Residue_seq_code _Residue_label _Atom_name _T2_value _T2_value_error _Rex_value _Rex_error 1 2 LYS N 1.8658 0.0190 . . 2 3 SER N 3.0988 0.0195 . . 3 4 ASN N 5.6258 0.0339 . . 4 5 GLU N 6.3494 0.0332 . . 5 6 HIS N 11.8720 0.1215 . . 6 7 ASP N 9.5278 0.1084 . . 7 8 ASP N 2.9731 0.1073 . . 8 9 CYS N 15.8438 1.8168 . . 9 10 GLN N 19.4549 0.7670 . . 10 11 VAL N 20.8713 0.9120 . . 11 12 THR N 18.0402 0.7567 . . 12 15 SER N 16.9091 0.4698 . . 13 16 THR N 16.3828 0.7748 . . 14 17 GLY N 19.1508 1.0307 . . 15 18 HIS N 18.0851 0.7219 . . 16 19 LEU N 20.1700 0.8540 . . 17 20 PHE N 18.7760 0.6375 . . 18 21 ASP N 14.0977 0.3859 . . 19 22 LEU N 7.7925 0.5345 . . 20 23 SER N 21.7529 1.0668 . . 21 24 SER N 20.5847 0.8393 . . 22 25 LEU N 19.7824 1.0858 . . 23 26 SER N 23.5400 0.9522 . . 24 27 GLY N 16.1714 0.7214 . . 25 28 ARG N 22.0462 1.1655 . . 26 29 ALA N 19.9585 0.6385 . . 27 30 GLY N 19.8200 1.0022 . . 28 32 THR N 18.0746 0.8758 . . 29 33 ALA N 17.0408 1.1861 . . 30 34 ALA N 20.1705 0.9119 . . 31 36 ALA N 22.3388 1.2395 . . 32 37 LYS N 19.7369 0.9956 . . 33 38 GLY N 20.5994 1.2028 . . 34 39 TRP N 18.9579 0.7415 . . 35 40 GLY N 18.0238 0.8357 . . 36 41 VAL N 18.8961 1.9648 . . 37 42 TYR N 17.7942 1.5743 . . 38 43 MET N 19.7633 0.9683 . . 39 45 ILE N 12.7799 1.9061 . . 40 46 CYS N 15.8647 1.4304 . . 41 47 GLY N 20.3357 0.9354 . . 42 48 GLU N 17.3009 0.6966 . . 43 49 ASN N 17.6553 1.0777 . . 44 50 GLU N 17.9399 1.4998 . . 45 51 ASN N 15.9271 0.8591 . . 46 52 CYS N 23.3193 0.9404 . . 47 55 GLY N 16.4221 1.1305 . . 48 56 VAL N 16.2654 0.6262 . . 49 57 GLY N 13.3586 1.5604 . . 50 58 ALA N 19.7230 0.8205 . . 51 59 CYS N 19.2045 1.0561 . . 52 60 PHE N 19.1040 1.1833 . . 53 61 GLY N 14.3635 1.7394 . . 54 62 GLN N 22.6295 2.1387 . . 55 63 THR N 18.2115 2.0356 . . 56 64 ARG N 6.3721 0.2187 . . 57 65 ILE N 20.2140 1.5166 . . 58 67 VAL N 18.6976 2.0325 . . 59 68 GLY N 18.2030 1.2444 . . 60 70 ALA N 19.0465 1.0738 . . 61 71 ASN N 14.9077 0.5549 . . 62 72 LYS N 16.3656 0.7742 . . 63 73 ARG N 20.8500 0.8715 . . 64 74 LEU N 17.6816 0.7097 . . 65 75 ARG N 21.0653 1.1760 . . 66 76 TYR N 17.0103 0.6125 . . 67 77 VAL N 16.8595 0.5325 . . 68 79 GLN N 13.7058 0.6932 . . 69 80 VAL N 19.0771 0.4409 . . 70 81 LEU N 14.3364 0.5103 . . 71 82 GLN N 20.6830 1.0265 . . 72 84 VAL N 20.4556 1.0774 . . 73 85 TYR N 19.0433 1.0881 . . 74 86 LYS N 24.0871 1.5583 . . 75 87 ASP N 16.9933 0.8659 . . 76 88 GLY N 17.6835 1.0131 . . 77 89 SER N 16.3859 1.4120 . . 78 93 SER N 14.9828 0.4487 . . 79 94 LYS N 17.0599 0.8642 . . 80 95 SER N 17.1670 0.5246 . . 81 96 GLY N 19.1487 0.7469 . . 82 97 LEU N 16.6332 1.1171 . . 83 98 SER N 18.9120 0.8283 . . 84 99 TYR N 16.9067 0.9456 . . 85 100 LYS N 10.1369 0.4328 . . 86 101 SER N 18.3576 0.9989 . . 87 102 VAL N 21.9574 1.7170 . . 88 103 ILE N 19.2308 1.1587 . . 89 104 SER N 13.0454 0.5839 . . 90 105 PHE N 16.0700 1.3575 . . 91 106 VAL N 13.6735 0.4981 . . 92 107 CYS N 18.6483 0.9773 . . 93 108 ARG N 17.3427 0.9010 . . 94 110 GLU N 13.6027 0.2240 . . 95 111 ALA N 12.4040 0.1709 . . 96 112 GLY N 9.8532 0.1056 . . 97 114 THR N 15.2123 0.2735 . . 98 115 ASN N 12.3325 0.2069 . . 99 116 ARG N 17.6806 0.5692 . . 100 118 MET N 11.4901 0.7626 . . 101 120 ILE N 15.8752 1.9024 . . 102 121 SER N 21.2539 0.9735 . . 103 122 LEU N 15.8026 0.5743 . . 104 123 ASP N 18.8091 1.1237 . . 105 125 GLN N 15.6520 0.3996 . . 106 126 THR N 13.9764 0.9918 . . 107 127 CYS N 23.7410 1.6432 . . 108 128 THR N 18.7672 0.8881 . . 109 129 LEU N 16.1333 1.4738 . . 110 131 PHE N 18.8318 1.4812 . . 111 132 SER N 19.6958 1.2101 . . 112 133 TRP N 17.3153 1.1824 . . 113 134 HIS N 19.7245 1.3916 . . 114 135 THR N 19.0765 1.1031 . . 115 137 LEU N 16.1233 0.5411 . . 116 139 CYS N 18.1211 0.4880 . . 117 140 GLU N 17.2118 0.5088 . . 118 141 LEU N 6.2309 0.0404 . . 119 142 ALA N 3.0369 0.0141 . . stop_ save_ save_heteronuclear_T2_list_2 _Saveframe_category T2_relaxation _Details . _Sample_conditions_label $sample_conditions_2 _Spectrometer_frequency_1H 600 _T2_coherence_type I(+,-)S(+,-) _T2_value_units s-1 _Mol_system_component_name Domain_11 _Text_data_format . _Text_data . loop_ _T2_ID _Residue_seq_code _Residue_label _Atom_name _T2_value _T2_value_error _Rex_value _Rex_error 1 2 LYS N 2.5200 0.0556 . . 2 3 SER N 4.2787 0.0653 . . 3 4 ASN N 6.4639 0.1032 . . 4 5 GLU N 6.6686 0.0878 . . 5 6 HIS N 16.2583 0.4934 . . 6 7 ASP N 10.4027 0.3539 . . 7 8 ASP N 3.6896 0.6267 . . 8 9 CYS N 3.1218 2.2340 . . 9 10 GLN N 14.3901 2.2442 . . 10 11 VAL N 16.6645 2.2311 . . 11 12 THR N 12.8966 1.6109 . . 12 16 THR N 16.5843 1.6479 . . 13 17 GLY N 14.0801 1.9605 . . 14 18 HIS N 17.5835 1.8128 . . 15 19 LEU N 17.5539 1.7429 . . 16 20 PHE N 16.2196 2.1569 . . 17 21 ASP N 15.3375 1.0417 . . 18 22 LEU N 6.0290 1.4158 . . 19 23 SER N 17.8108 2.8065 . . 20 24 SER N 21.5764 3.0794 . . 21 25 LEU N 12.7951 1.6534 . . 22 26 SER N 18.2089 2.2774 . . 23 27 GLY N 12.9379 1.8059 . . 24 28 ARG N 13.4026 2.0785 . . 25 29 ALA N 21.5521 2.2605 . . 26 30 GLY N 15.1515 1.4342 . . 27 32 THR N 13.2848 1.8284 . . 28 33 ALA N 13.5828 3.6889 . . 29 34 ALA N 15.2723 2.1803 . . 30 36 ALA N 13.5229 2.2137 . . 31 37 LYS N 8.9306 2.2759 . . 32 38 GLY N 19.0212 3.1390 . . 33 39 TRP N 14.9677 1.7972 . . 34 40 GLY N 15.2605 1.8662 . . 35 41 VAL N 7.3133 2.2104 . . 36 42 TYR N 7.0101 2.1309 . . 37 43 MET N 14.8773 2.1564 . . 38 45 ILE N 6.9072 2.6855 . . 39 46 CYS N 9.8298 2.7483 . . 40 47 GLY N 18.8316 1.8259 . . 41 48 GLU N 21.1479 2.6206 . . 42 49 ASN N 13.3443 2.2978 . . 43 50 GLU N 9.6301 2.9151 . . 44 51 ASN N 11.6310 2.0331 . . 45 52 CYS N 15.8549 2.0429 . . 46 55 GLY N 11.1833 2.0582 . . 47 56 VAL N 18.8204 1.9772 . . 48 57 GLY N 8.6983 2.4032 . . 49 58 ALA N 14.0781 1.1189 . . 50 59 CYS N 16.7541 2.8540 . . 51 60 PHE N 15.6850 2.8826 . . 52 61 GLY N 7.2284 2.6306 . . 53 62 GLN N 8.8092 2.6175 . . 54 63 THR N 7.1969 2.7774 . . 55 64 ARG N 16.7976 2.1988 . . 56 65 ILE N 12.2721 2.7761 . . 57 67 VAL N 9.4961 3.2849 . . 58 68 GLY N 12.5409 2.0551 . . 59 70 ALA N 17.5177 2.9128 . . 60 71 ASN N 17.4314 1.3549 . . 61 72 LYS N 13.8951 1.7205 . . 62 73 ARG N 17.5829 2.5543 . . 63 74 LEU N 14.5767 1.9385 . . 64 75 ARG N 15.3511 2.3623 . . 65 76 TYR N 14.5369 1.4328 . . 66 77 VAL N 18.4916 1.7090 . . 67 79 GLN N 13.0850 1.3566 . . 68 80 VAL N 21.5399 1.2756 . . 69 81 LEU N 13.0542 1.4253 . . 70 82 GLN N 15.9865 3.0751 . . 71 84 VAL N 10.4266 1.9420 . . 72 85 TYR N 11.0012 2.4104 . . 73 86 LYS N 11.4759 2.3741 . . 74 87 ASP N 14.4372 2.2224 . . 75 88 GLY N 17.1917 1.8094 . . 76 89 SER N 11.8001 2.8953 . . 77 93 SER N 13.9456 1.4210 . . 78 94 LYS N 9.5926 2.3313 . . 79 95 SER N 16.3404 1.3042 . . 80 96 GLY N 16.2413 1.9983 . . 81 97 LEU N 12.7523 2.1217 . . 82 98 SER N 13.0352 1.7571 . . 83 99 TYR N 13.7308 1.8145 . . 84 100 LYS N 9.4686 1.1989 . . 85 101 SER N 11.0574 1.8838 . . 86 102 VAL N 9.0443 2.1330 . . 87 103 ILE N 9.9126 1.9430 . . 88 104 SER N 11.8335 1.3835 . . 89 105 PHE N 6.7582 2.1260 . . 90 106 VAL N 11.2970 1.4978 . . 91 107 CYS N 17.5818 2.2839 . . 92 108 ARG N 8.8601 1.7275 . . 93 110 GLU N 15.5284 0.8712 . . 94 111 ALA N 15.6205 0.5928 . . 95 112 GLY N 11.4154 0.2724 . . 96 114 THR N 16.1506 0.7436 . . 97 115 ASN N 16.1691 0.7612 . . 98 116 ARG N 16.2362 1.1662 . . 99 118 MET N 15.1984 3.6577 . . 100 120 ILE N 6.3956 2.4783 . . 101 121 SER N 14.4398 1.8829 . . 102 122 LEU N 12.3520 1.3032 . . 103 123 ASP N 10.0311 2.1394 . . 104 125 GLN N 20.3996 1.4385 . . 105 126 THR N 13.0985 1.5744 . . 106 127 CYS N 13.0383 2.1127 . . 107 128 THR N 12.5482 1.5242 . . 108 129 LEU N 8.3720 2.4642 . . 109 131 PHE N 9.1471 1.9376 . . 110 132 SER N 12.5690 2.4603 . . 111 133 TRP N 11.4333 2.2339 . . 112 134 HIS N 6.9979 2.4485 . . 113 135 THR N 15.7420 1.9451 . . 114 137 LEU N 12.3875 2.9305 . . 115 139 CYS N 22.0417 1.8421 . . 116 140 GLU N 17.0666 1.5575 . . 117 141 LEU N 7.4186 0.1131 . . 118 142 ALA N 3.4003 0.0347 . . stop_ save_ save_heteronuclear_noe_list_1 _Saveframe_category heteronuclear_NOE _Details . _Sample_conditions_label $sample_conditions_2 _Spectrometer_frequency_1H 600 _Mol_system_component_name Domain_11 _Atom_one_atom_name N _Atom_two_atom_name H _Heteronuclear_NOE_value_type 'peak height' _NOE_reference_value 0 _NOE_reference_description 'NOE ratio calculated.' _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 2 LYS -0.7884 0.0088 3 SER -0.4657 0.0078 4 ASN -0.2569 0.0096 5 GLU 0.1671 0.0081 6 HIS 0.2258 0.0135 7 ASP 0.4107 0.0159 8 ASP -0.4695 0.0362 9 CYS 0.7971 0.0906 10 GLN 0.7801 0.0437 11 VAL 0.8014 0.0381 12 THR 0.7233 0.0436 15 SER 0.6895 0.0295 16 THR 0.6897 0.0431 17 GLY 0.7757 0.0455 18 HIS 0.7816 0.0371 19 LEU 0.7944 0.0398 20 PHE 0.7921 0.0306 21 ASP 0.7193 0.0340 22 LEU 0.8567 0.0767 23 SER 0.8606 0.0415 24 SER 0.7666 0.0316 25 LEU 0.7780 0.0483 26 SER 0.7759 0.0371 27 GLY 0.7937 0.0431 28 ARG 0.7466 0.0405 29 ALA 0.8653 0.0353 30 GLY 0.8061 0.0425 32 THR 0.7431 0.0469 33 ALA 0.8197 0.0781 34 ALA 0.8236 0.0488 36 ALA 0.8443 0.0541 37 LYS 0.7589 0.0541 38 GLY 0.7604 0.0538 39 TRP 0.7063 0.0377 40 GLY 0.7827 0.0457 41 VAL 0.9315 0.0819 42 TYR 0.8994 0.0657 43 MET 0.8305 0.0401 45 ILE 0.9716 0.1127 46 CYS 0.7929 0.0690 47 GLY 0.8511 0.0481 48 GLU 0.8485 0.0456 49 ASN 0.8900 0.0574 50 GLU 0.9064 0.0661 51 ASN 0.7519 0.0464 52 CYS 0.8490 0.0370 55 GLY 0.8099 0.0556 56 VAL 0.8342 0.0384 57 GLY 0.7934 0.0835 58 ALA 0.9346 0.0430 59 CYS 0.8214 0.0449 60 PHE 0.8226 0.0542 61 GLY 0.8723 0.0903 62 GLN 0.8025 0.0633 63 THR 0.8168 0.0851 64 ARG 0.8685 0.0482 65 ILE 0.8831 0.0623 67 VAL 0.8457 0.0806 68 GLY 0.9018 0.0709 70 ALA 0.9040 0.0592 71 ASN 0.9208 0.0437 72 LYS 0.7317 0.0471 73 ARG 0.7375 0.0377 74 LEU 0.7679 0.0446 75 ARG 0.7735 0.0470 76 TYR 0.7410 0.0370 77 VAL 0.7515 0.0348 79 GLN 0.6396 0.0510 80 VAL 0.7178 0.0278 81 LEU 0.7438 0.0404 82 GLN 0.7913 0.0451 84 VAL 0.8093 0.0483 85 TYR 0.8547 0.0516 86 LYS 0.7604 0.0507 87 ASP 0.8274 0.0498 88 GLY 0.8070 0.0560 89 SER 0.7892 0.0636 93 SER 0.6908 0.0344 94 LYS 0.6430 0.0471 95 SER 0.5845 0.0318 96 GLY 0.6139 0.0387 97 LEU 0.6381 0.0546 98 SER 0.7950 0.0488 99 TYR 0.8257 0.0512 100 LYS 0.6653 0.0444 101 SER 0.8861 0.0535 102 VAL 0.8512 0.0637 103 ILE 0.8356 0.0507 104 SER 0.7583 0.0507 105 PHE 0.7613 0.0608 106 VAL 0.6023 0.0410 107 CYS 0.8786 0.0548 108 ARG 0.8029 0.0513 110 GLU 0.4070 0.0213 111 ALA 0.4454 0.0178 112 GLY 0.3516 0.0157 114 THR 0.5580 0.0224 115 ASN 0.5088 0.0220 116 ARG 0.7041 0.0375 118 MET 0.7229 0.0569 120 ILE 0.9237 0.1053 121 SER 0.7989 0.0439 122 LEU 0.7655 0.0404 123 ASP 0.7369 0.0484 125 GLN 0.5941 0.0286 126 THR 0.8266 0.0637 127 CYS 0.8668 0.0622 128 THR 0.8807 0.0480 129 LEU 0.9071 0.0765 131 PHE 0.9648 0.0761 132 SER 0.7860 0.0486 133 TRP 0.8466 0.0624 134 HIS 0.8098 0.0606 135 THR 0.8544 0.0560 137 LEU 0.5240 0.0322 139 CYS 0.8536 0.0308 140 GLU 0.6493 0.0297 141 LEU 0.0867 0.0091 142 ALA -0.6332 0.0067 stop_ save_ save_heteronuclear_noe_list_2 _Saveframe_category heteronuclear_NOE _Details . _Sample_conditions_label $sample_conditions_2 _Spectrometer_frequency_1H 600 _Mol_system_component_name Domain_11 _Atom_one_atom_name N _Atom_two_atom_name H _Heteronuclear_NOE_value_type 'peak height' _NOE_reference_value 0 _NOE_reference_description 'NOE ratio calculated.' _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 2 LYS -0.1136 0.0078 3 SER 0.0305 0.0072 4 ASN 0.2453 0.0110 5 GLU 0.3477 0.0082 6 HIS 0.4610 0.0153 7 ASP 0.5592 0.0198 8 ASP 0.1402 0.0711 9 CYS 0.4864 0.1094 10 GLN 0.8831 0.0512 11 VAL 0.8678 0.0390 12 THR 0.8594 0.0377 15 SER 0.6868 0.0255 16 THR 0.7090 0.0342 17 GLY 0.8204 0.0450 18 HIS 0.7942 0.0314 19 LEU 0.7787 0.0371 20 PHE 0.8424 0.0342 21 ASP 0.7732 0.0360 22 LEU 0.7824 0.0712 23 SER 0.8580 0.0424 24 SER 0.8296 0.0356 25 LEU 0.8007 0.0400 26 SER 0.8266 0.0383 27 GLY 0.8287 0.0466 28 ARG 0.8321 0.0494 29 ALA 0.8145 0.0345 30 GLY 0.8516 0.0409 32 THR 0.9200 0.0580 33 ALA 0.8588 0.0781 34 ALA 0.8604 0.0518 36 ALA 0.8845 0.0488 37 LYS 0.7676 0.0840 38 GLY 0.8138 0.0553 39 TRP 0.8840 0.0392 40 GLY 0.8270 0.0467 41 VAL 0.8047 0.0772 42 TYR 0.8741 0.0630 43 MET 0.9356 0.0461 45 ILE 0.7941 0.1199 46 CYS 0.8037 0.0555 47 GLY 0.7882 0.0296 48 GLU 0.8521 0.0411 49 ASN 0.9037 0.0489 50 GLU 0.8569 0.0689 51 ASN 0.8812 0.0527 52 CYS 0.8424 0.0351 55 GLY 0.7430 0.0555 56 VAL 0.7879 0.0379 57 GLY 0.9449 0.0972 58 ALA 0.8564 0.0334 59 CYS 0.9104 0.0545 60 PHE 0.8623 0.0554 61 GLY 0.8184 0.0800 62 GLN 0.8981 0.0949 63 THR 0.6957 0.1037 64 ARG 0.9007 0.0489 65 ILE 0.9008 0.0535 67 VAL 0.8455 0.0739 68 GLY 0.8234 0.0504 70 ALA 0.8439 0.0462 71 ASN 1.0190 0.0437 72 LYS 0.7504 0.0507 73 ARG 0.8796 0.0501 74 LEU 0.8279 0.0515 75 ARG 0.7872 0.0494 76 TYR 0.7576 0.0388 77 VAL 0.7716 0.0352 79 GLN 0.7275 0.0464 80 VAL 0.7323 0.0255 81 LEU 0.8333 0.0430 82 GLN 0.8368 0.0490 84 VAL 0.9478 0.0615 85 TYR 0.8606 0.0636 86 LYS 0.9759 0.0616 87 ASP 0.7546 0.0490 88 GLY 0.8662 0.0440 89 SER 0.8870 0.0730 93 SER 0.7571 0.0362 94 LYS 0.6761 0.0578 95 SER 0.6571 0.0337 96 GLY 0.7070 0.0406 97 LEU 0.6715 0.0491 98 SER 0.8615 0.0571 99 TYR 0.8515 0.0471 100 LYS 0.7585 0.0474 101 SER 0.9320 0.0555 102 VAL 0.8597 0.0676 103 ILE 0.8310 0.0579 104 SER 0.8514 0.0462 105 PHE 0.8652 0.0800 106 VAL 0.7133 0.0451 107 CYS 0.8683 0.0531 108 ARG 0.9042 0.0602 110 GLU 0.4366 0.0224 111 ALA 0.6058 0.0214 112 GLY 0.4805 0.0148 114 THR 0.6093 0.0212 115 ASN 0.5705 0.0226 116 ARG 0.7846 0.0312 118 MET 0.6798 0.0636 120 ILE 0.8949 0.0977 121 SER 0.8420 0.0416 122 LEU 0.8002 0.0398 123 ASP 0.7474 0.0547 125 GLN 0.6677 0.0324 126 THR 0.8579 0.0424 127 CYS 0.8633 0.0557 128 THR 0.8737 0.0405 129 LEU 0.9485 0.0867 131 PHE 0.8014 0.0756 132 SER 0.9122 0.0662 133 TRP 0.8646 0.0654 134 HIS 0.9224 0.0731 135 THR 0.8138 0.0438 137 LEU 0.5496 0.0574 139 CYS 0.8096 0.0286 140 GLU 0.7277 0.0352 141 LEU 0.3830 0.0096 142 ALA -0.0939 0.0055 stop_ save_