data_19153 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR solution structure ensemble of 3-4D mutant domain 11 IGF2R ; _BMRB_accession_number 19153 _BMRB_flat_file_name bmr19153.str _Entry_type original _Submission_date 2013-04-09 _Accession_date 2013-04-09 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'NMR solution structure ensemble of human domain 11 IGF2R mutated five times in the AB loop' 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" 815 "13C chemical shifts" 597 "15N chemical shifts" 151 "T1 relaxation values" 284 "T2 relaxation values" 284 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 IGF2R _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label IGF2R $IGF2R stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_IGF2R _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common IGF2R _Molecular_mass 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 19117 Domain_11 100.00 142 100.00 100.00 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 _Details $IGF2R Human 9606 Eukaryota Metazoa Homo sapiens 'Mutated residues 1543-1547 in comparison to domain 11 wild-type IGF2R' stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $IGF2R 'recombinant technology' . Escherichia coli . pET26a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'STRUCTURAL STUDIES' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $IGF2R 1 mM '[U-95% 13C; U-95% 15N]' D2O 7 % [U-2H] H2O 93 % 'natural abundance' 'sodium azide' 100 uM 'natural abundance' EDTA 1 mM 'natural abundance' 'sodium acetate' 10 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details 'DYNAMICS STUDIES' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $IGF2R 1 mM '[U-95% 15N]' D2O 7 % [U-2H] H2O 93 % 'natural abundance' 'sodium azide' 100 uM 'natural abundance' EDTA 1 mM 'natural abundance' 'sodium acetate' 10 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_ARIA _Saveframe_category software _Name ARIA _Version 2.2 loop_ _Vendor _Address _Electronic_address 'Linge, O'Donoghue and Nilges' . . stop_ loop_ _Task processing refinement 'structure solution' stop_ _Details . save_ save_CING _Saveframe_category software _Name CING _Version iCing loop_ _Vendor _Address _Electronic_address Doreleijers 'Vuister, da Silva and Doreleijers.' http://nmr.cmbi.ru.nl/icing/#file stop_ loop_ _Task refinement stop_ _Details 'Online web server' 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_NMRDraw _Saveframe_category software _Name NMRDraw _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_Relax _Saveframe_category software _Name Relax _Version 1.3.9 loop_ _Vendor _Address _Electronic_address Palmer 'Relax is by Edward d'Auvergne but there is no drop-down box for him.' . stop_ loop_ _Task 'data analysis' processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version 2.6 loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_VNMRJ _Saveframe_category software _Name VNMRJ _Version 0.4 loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_CCPN_Analysis _Saveframe_category software _Name CCPN_Analysis _Version 2.1 loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version TALOS+ loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'geometry optimization' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model 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_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_Heteronuclear_NOE_ratio_13 _Saveframe_category NMR_applied_experiment _Experiment_name 'Heteronuclear NOE ratio' _Sample_label $sample_2 save_ save_Heteronuclear_NOE_ratio_14 _Saveframe_category NMR_applied_experiment _Experiment_name 'Heteronuclear NOE ratio' _Sample_label $sample_2 save_ save_T1_experiments_15 _Saveframe_category NMR_applied_experiment _Experiment_name 'T1 experiments' _Sample_label $sample_2 save_ save_T1_experiments_16 _Saveframe_category NMR_applied_experiment _Experiment_name 'T1 experiments' _Sample_label $sample_2 save_ save_T2_experiments_17 _Saveframe_category NMR_applied_experiment _Experiment_name 'T2 experiments' _Sample_label $sample_2 save_ save_T2_experiments_18 _Saveframe_category NMR_applied_experiment _Experiment_name 'T2 experiments' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_aromatic_19 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _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 5.5 . pH pressure 1 . atm temperature 273 . 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 5.5 . 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 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' '3D 1H-13C NOESY aromatic' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name IGF2R _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1508 1 MET HA H 4.182 0.000 1 2 1508 1 MET HB2 H 2.621 0.000 2 3 1508 1 MET HE H 1.298 0.000 1 4 1508 1 MET C C 173.236 0.000 1 5 1508 1 MET CA C 55.467 0.000 1 6 1508 1 MET CB C 33.254 0.000 1 7 1508 1 MET CG C 30.957 0.000 1 8 1508 1 MET CE C 16.361 0.000 1 9 1509 2 LYS H H 8.484 0.006 1 10 1509 2 LYS HA H 4.199 0.147 1 11 1509 2 LYS HB2 H 2.325 0.000 2 12 1509 2 LYS HB3 H 2.132 0.000 2 13 1509 2 LYS HG2 H 1.293 0.168 2 14 1509 2 LYS HG3 H 1.306 0.180 2 15 1509 2 LYS HD2 H 1.732 0.000 2 16 1509 2 LYS HD3 H 1.761 0.000 2 17 1509 2 LYS HE2 H 3.003 0.000 2 18 1509 2 LYS HE3 H 3.035 0.000 2 19 1509 2 LYS C C 177.051 0.000 1 20 1509 2 LYS CA C 56.795 0.104 1 21 1509 2 LYS CB C 33.558 0.029 1 22 1509 2 LYS CG C 24.911 0.000 1 23 1509 2 LYS CD C 29.335 0.000 1 24 1509 2 LYS CE C 42.526 0.000 1 25 1509 2 LYS N N 124.893 0.031 1 26 1510 3 SER H H 8.199 0.007 1 27 1510 3 SER HA H 4.358 0.146 1 28 1510 3 SER HB2 H 3.595 0.135 2 29 1510 3 SER HB3 H 3.663 0.130 2 30 1510 3 SER C C 175.077 0.000 1 31 1510 3 SER CA C 58.421 0.042 1 32 1510 3 SER CB C 64.581 0.073 1 33 1510 3 SER N N 117.959 0.065 1 34 1511 4 ASN H H 8.312 0.008 1 35 1511 4 ASN HA H 4.662 0.173 1 36 1511 4 ASN HB2 H 2.568 0.144 2 37 1511 4 ASN HB3 H 2.870 0.000 2 38 1511 4 ASN HD21 H 6.598 0.004 2 39 1511 4 ASN HD22 H 7.332 0.015 2 40 1511 4 ASN C C 175.684 0.000 1 41 1511 4 ASN CA C 53.232 0.002 1 42 1511 4 ASN CB C 39.705 0.035 1 43 1511 4 ASN N N 120.531 0.122 1 44 1511 4 ASN ND2 N 112.749 0.027 1 45 1512 5 GLU H H 7.922 0.007 1 46 1512 5 GLU HA H 4.281 0.155 1 47 1512 5 GLU HB2 H 1.666 0.157 2 48 1512 5 GLU HB3 H 1.722 0.131 2 49 1512 5 GLU HG2 H 1.995 0.163 2 50 1512 5 GLU HG3 H 2.000 0.167 2 51 1512 5 GLU C C 176.646 0.000 1 52 1512 5 GLU CA C 56.670 0.018 1 53 1512 5 GLU CB C 30.859 0.053 1 54 1512 5 GLU CG C 35.815 0.080 1 55 1512 5 GLU N N 120.894 0.057 1 56 1513 6 HIS H H 8.306 0.010 1 57 1513 6 HIS HA H 4.869 0.000 1 58 1513 6 HIS HB2 H 3.385 0.166 2 59 1513 6 HIS HB3 H 2.945 0.129 2 60 1513 6 HIS HE1 H 8.595 0.000 1 61 1513 6 HIS HE2 H 7.021 0.000 1 62 1513 6 HIS C C 174.281 0.000 1 63 1513 6 HIS CA C 55.663 0.008 1 64 1513 6 HIS CB C 29.672 0.086 1 65 1513 6 HIS CE1 C 136.134 0.000 1 66 1513 6 HIS N N 119.935 0.105 1 67 1514 7 ASP H H 8.037 0.013 1 68 1514 7 ASP HA H 4.608 0.147 1 69 1514 7 ASP HB2 H 2.525 0.130 2 70 1514 7 ASP HB3 H 2.312 0.155 2 71 1514 7 ASP C C 177.091 0.000 1 72 1514 7 ASP CA C 54.039 0.040 1 73 1514 7 ASP CB C 41.161 0.088 1 74 1514 7 ASP N N 121.499 0.070 1 75 1515 8 ASP H H 8.234 0.014 1 76 1515 8 ASP HA H 4.343 0.122 1 77 1515 8 ASP HB2 H 2.501 0.143 2 78 1515 8 ASP HB3 H 2.598 0.175 2 79 1515 8 ASP C C 175.976 0.000 1 80 1515 8 ASP CA C 54.392 0.120 1 81 1515 8 ASP CB C 40.441 0.086 1 82 1515 8 ASP N N 118.122 0.153 1 83 1516 9 CYS H H 9.206 0.009 1 84 1516 9 CYS HA H 3.795 0.114 1 85 1516 9 CYS HB2 H 3.237 0.127 2 86 1516 9 CYS HB3 H 2.418 0.113 2 87 1516 9 CYS C C 172.755 0.000 1 88 1516 9 CYS CA C 58.373 0.060 1 89 1516 9 CYS CB C 41.473 0.032 1 90 1516 9 CYS N N 123.358 0.136 1 91 1517 10 GLN H H 7.443 0.013 1 92 1517 10 GLN HA H 5.092 0.098 1 93 1517 10 GLN HB2 H 1.874 0.149 2 94 1517 10 GLN HB3 H 1.829 0.148 2 95 1517 10 GLN HG2 H 1.985 0.146 2 96 1517 10 GLN HG3 H 2.016 0.177 2 97 1517 10 GLN HE21 H 6.845 0.010 2 98 1517 10 GLN HE22 H 6.351 0.003 2 99 1517 10 GLN C C 174.986 0.000 1 100 1517 10 GLN CA C 54.550 0.080 1 101 1517 10 GLN CB C 33.454 0.020 1 102 1517 10 GLN CG C 33.536 0.000 1 103 1517 10 GLN N N 113.764 0.110 1 104 1517 10 GLN NE2 N 109.940 0.058 1 105 1518 11 VAL H H 8.396 0.016 1 106 1518 11 VAL HA H 4.201 0.114 1 107 1518 11 VAL HB H 1.927 0.120 1 108 1518 11 VAL HG1 H 1.000 0.095 2 109 1518 11 VAL HG2 H 0.422 0.104 2 110 1518 11 VAL C C 172.861 0.000 1 111 1518 11 VAL CA C 61.653 0.038 1 112 1518 11 VAL CB C 34.229 0.058 1 113 1518 11 VAL CG1 C 23.177 0.013 2 114 1518 11 VAL CG2 C 20.559 0.000 2 115 1518 11 VAL N N 118.696 0.203 1 116 1519 12 THR H H 7.531 0.019 1 117 1519 12 THR HA H 5.235 0.083 1 118 1519 12 THR HB H 3.394 0.120 1 119 1519 12 THR HG2 H 0.572 0.095 1 120 1519 12 THR C C 176.176 0.000 1 121 1519 12 THR CA C 60.142 0.101 1 122 1519 12 THR CB C 71.212 0.099 1 123 1519 12 THR CG2 C 22.251 0.082 1 124 1519 12 THR N N 118.338 0.125 1 125 1520 13 ASN H H 7.890 0.022 1 126 1520 13 ASN HA H 3.814 0.003 1 127 1520 13 ASN HB2 H 2.113 0.008 2 128 1520 13 ASN HB3 H 2.863 0.006 2 129 1520 13 ASN HD21 H 6.904 0.005 2 130 1520 13 ASN HD22 H 9.149 0.008 2 131 1520 13 ASN CA C 50.211 0.026 1 132 1520 13 ASN CB C 39.188 0.121 1 133 1520 13 ASN N N 120.480 0.129 1 134 1520 13 ASN ND2 N 118.459 0.119 1 135 1521 14 PRO HA H 4.097 0.155 1 136 1521 14 PRO HB2 H 2.110 0.155 2 137 1521 14 PRO HB3 H 2.098 0.142 2 138 1521 14 PRO HG2 H 1.899 0.166 2 139 1521 14 PRO HG3 H 2.092 0.000 2 140 1521 14 PRO HD2 H 3.534 0.158 2 141 1521 14 PRO HD3 H 3.579 0.170 2 142 1521 14 PRO C C 179.171 0.000 1 143 1521 14 PRO CA C 64.544 0.000 1 144 1521 14 PRO CB C 32.536 0.017 1 145 1521 14 PRO CG C 27.285 0.000 1 146 1521 14 PRO CD C 51.417 0.078 1 147 1522 15 SER H H 7.679 0.007 1 148 1522 15 SER HA H 4.154 0.120 1 149 1522 15 SER HB2 H 3.661 0.107 2 150 1522 15 SER HB3 H 3.748 0.172 2 151 1522 15 SER HG H 5.191 0.000 1 152 1522 15 SER C C 176.129 0.000 1 153 1522 15 SER CA C 61.009 0.085 1 154 1522 15 SER CB C 63.772 0.098 1 155 1522 15 SER N N 111.818 0.076 1 156 1523 16 THR H H 6.419 0.009 1 157 1523 16 THR HA H 4.229 0.110 1 158 1523 16 THR HB H 4.056 0.131 1 159 1523 16 THR HG2 H 0.807 0.100 1 160 1523 16 THR C C 177.250 0.000 1 161 1523 16 THR CA C 61.460 0.079 1 162 1523 16 THR CB C 71.550 0.058 1 163 1523 16 THR CG2 C 21.637 0.077 1 164 1523 16 THR N N 106.711 0.105 1 165 1524 17 GLY H H 8.328 0.008 1 166 1524 17 GLY HA2 H 3.893 0.110 2 167 1524 17 GLY HA3 H 3.244 0.114 2 168 1524 17 GLY C C 174.536 0.000 1 169 1524 17 GLY CA C 45.568 0.040 1 170 1524 17 GLY N N 111.598 0.080 1 171 1525 18 HIS H H 7.456 0.009 1 172 1525 18 HIS HA H 3.649 0.095 1 173 1525 18 HIS HB2 H 2.680 0.114 2 174 1525 18 HIS HB3 H 2.210 0.112 2 175 1525 18 HIS HE1 H 8.620 0.000 1 176 1525 18 HIS C C 173.620 0.000 1 177 1525 18 HIS CA C 57.146 0.070 1 178 1525 18 HIS CB C 29.360 0.082 1 179 1525 18 HIS CE1 C 135.515 0.000 1 180 1525 18 HIS N N 119.074 0.074 1 181 1526 19 LEU H H 7.532 0.016 1 182 1526 19 LEU HA H 3.903 0.104 1 183 1526 19 LEU HB2 H 1.251 0.156 2 184 1526 19 LEU HB3 H 1.267 0.163 2 185 1526 19 LEU HG H 0.910 0.157 1 186 1526 19 LEU HD1 H 0.475 0.159 2 187 1526 19 LEU HD2 H 0.338 0.096 2 188 1526 19 LEU C C 175.794 0.000 1 189 1526 19 LEU CA C 54.720 0.043 1 190 1526 19 LEU CB C 43.480 0.067 1 191 1526 19 LEU CG C 27.432 0.000 1 192 1526 19 LEU CD1 C 25.694 0.053 2 193 1526 19 LEU CD2 C 24.185 0.050 2 194 1526 19 LEU N N 129.188 0.069 1 195 1527 20 PHE H H 8.897 0.010 1 196 1527 20 PHE HA H 4.483 0.131 1 197 1527 20 PHE HB2 H 2.385 0.137 2 198 1527 20 PHE HB3 H 2.724 0.125 2 199 1527 20 PHE HD1 H 7.128 0.008 3 200 1527 20 PHE HD2 H 7.128 0.008 3 201 1527 20 PHE HE1 H 6.567 0.006 3 202 1527 20 PHE HE2 H 6.567 0.006 3 203 1527 20 PHE HZ H 7.067 0.005 1 204 1527 20 PHE C C 175.297 0.000 1 205 1527 20 PHE CA C 57.291 0.020 1 206 1527 20 PHE CB C 40.705 0.035 1 207 1527 20 PHE CD1 C 132.939 0.152 3 208 1527 20 PHE CD2 C 132.939 0.000 3 209 1527 20 PHE CE1 C 131.827 0.000 3 210 1527 20 PHE CE2 C 131.827 0.000 3 211 1527 20 PHE CZ C 128.520 0.000 1 212 1527 20 PHE N N 126.287 0.075 1 213 1528 21 ASP H H 8.153 0.020 1 214 1528 21 ASP HA H 4.741 0.123 1 215 1528 21 ASP HB2 H 2.606 0.122 2 216 1528 21 ASP HB3 H 1.974 0.110 2 217 1528 21 ASP C C 177.474 0.000 1 218 1528 21 ASP CA C 53.131 0.046 1 219 1528 21 ASP CB C 43.123 0.061 1 220 1528 21 ASP N N 120.693 0.094 1 221 1529 22 LEU H H 7.999 0.012 1 222 1529 22 LEU HA H 4.056 0.092 1 223 1529 22 LEU HB2 H 1.079 0.126 2 224 1529 22 LEU HB3 H 0.952 0.105 2 225 1529 22 LEU HG H 0.681 0.131 1 226 1529 22 LEU HD1 H -0.662 0.089 2 227 1529 22 LEU HD2 H -0.376 0.081 2 228 1529 22 LEU C C 178.130 0.000 1 229 1529 22 LEU CA C 54.313 0.070 1 230 1529 22 LEU CB C 41.176 0.133 1 231 1529 22 LEU CG C 27.342 0.056 1 232 1529 22 LEU CD1 C 24.605 0.050 2 233 1529 22 LEU CD2 C 22.770 0.087 2 234 1529 22 LEU N N 126.383 0.080 1 235 1530 23 SER H H 8.623 0.011 1 236 1530 23 SER HA H 4.912 0.168 1 237 1530 23 SER HB2 H 3.804 0.153 2 238 1530 23 SER HB3 H 3.661 0.139 2 239 1530 23 SER C C 178.605 0.000 1 240 1530 23 SER CA C 62.983 0.155 1 241 1530 23 SER CB C 63.141 0.139 1 242 1530 23 SER N N 117.118 0.074 1 243 1531 24 SER H H 8.589 0.018 1 244 1531 24 SER HA H 4.016 0.132 1 245 1531 24 SER HB2 H 3.697 0.155 2 246 1531 24 SER HB3 H 3.927 0.000 2 247 1531 24 SER C C 176.650 0.000 1 248 1531 24 SER CA C 61.660 0.033 1 249 1531 24 SER CB C 62.531 0.099 1 250 1531 24 SER N N 118.808 0.137 1 251 1532 25 LEU H H 7.636 0.010 1 252 1532 25 LEU HA H 4.483 0.166 1 253 1532 25 LEU HB2 H 1.410 0.154 2 254 1532 25 LEU HB3 H 1.322 0.139 2 255 1532 25 LEU HG H 0.989 0.139 1 256 1532 25 LEU HD1 H -0.335 0.108 2 257 1532 25 LEU HD2 H 0.479 0.137 2 258 1532 25 LEU C C 178.204 0.000 1 259 1532 25 LEU CA C 54.851 0.010 1 260 1532 25 LEU CB C 42.316 0.076 1 261 1532 25 LEU CG C 26.643 0.000 1 262 1532 25 LEU CD1 C 25.158 0.063 2 263 1532 25 LEU CD2 C 21.647 0.000 2 264 1532 25 LEU N N 120.706 0.086 1 265 1533 26 SER H H 7.343 0.008 1 266 1533 26 SER HA H 4.603 0.107 1 267 1533 26 SER HB2 H 3.612 0.003 2 268 1533 26 SER HB3 H 3.876 0.108 2 269 1533 26 SER C C 174.970 0.000 1 270 1533 26 SER CA C 59.640 0.114 1 271 1533 26 SER CB C 65.373 0.091 1 272 1533 26 SER N N 114.861 0.070 1 273 1534 27 GLY H H 8.752 0.009 1 274 1534 27 GLY HA2 H 4.522 0.129 2 275 1534 27 GLY HA3 H 3.529 0.112 2 276 1534 27 GLY C C 177.190 0.000 1 277 1534 27 GLY CA C 45.020 0.043 1 278 1534 27 GLY N N 110.614 0.091 1 279 1535 28 ARG H H 8.416 0.009 1 280 1535 28 ARG HA H 4.301 0.127 1 281 1535 28 ARG HB2 H 2.175 0.000 2 282 1535 28 ARG HB3 H 1.937 0.153 2 283 1535 28 ARG HG2 H 1.315 0.147 2 284 1535 28 ARG HG3 H 1.524 0.164 2 285 1535 28 ARG HD2 H 3.093 0.000 2 286 1535 28 ARG HD3 H 2.933 0.156 2 287 1535 28 ARG HE H 7.475 0.033 1 288 1535 28 ARG C C 178.501 0.000 1 289 1535 28 ARG CA C 58.562 0.012 1 290 1535 28 ARG CB C 31.321 0.019 1 291 1535 28 ARG CG C 28.919 0.164 1 292 1535 28 ARG CD C 43.350 0.057 1 293 1535 28 ARG N N 123.590 0.115 1 294 1535 28 ARG NE N 83.928 0.016 1 295 1536 29 ALA H H 8.039 0.011 1 296 1536 29 ALA HA H 3.665 0.112 1 297 1536 29 ALA HB H 1.014 0.119 1 298 1536 29 ALA C C 180.854 0.000 1 299 1536 29 ALA CA C 55.112 0.026 1 300 1536 29 ALA CB C 18.177 0.045 1 301 1536 29 ALA N N 122.826 0.093 1 302 1537 30 GLY H H 6.944 0.012 1 303 1537 30 GLY HA2 H 3.705 0.167 2 304 1537 30 GLY HA3 H 3.592 0.155 2 305 1537 30 GLY C C 173.819 0.000 1 306 1537 30 GLY CA C 46.974 0.020 1 307 1537 30 GLY N N 102.546 0.079 1 308 1538 31 PHE H H 8.908 0.008 1 309 1538 31 PHE HA H 4.660 0.139 1 310 1538 31 PHE HB2 H 2.145 0.108 2 311 1538 31 PHE HB3 H 2.839 0.108 2 312 1538 31 PHE HD1 H 7.049 0.006 3 313 1538 31 PHE HD2 H 7.049 0.006 3 314 1538 31 PHE HE1 H 7.542 0.008 3 315 1538 31 PHE HE2 H 7.542 0.008 3 316 1538 31 PHE HZ H 7.330 0.003 1 317 1538 31 PHE C C 176.339 0.000 1 318 1538 31 PHE CA C 57.346 0.010 1 319 1538 31 PHE CB C 44.855 0.091 1 320 1538 31 PHE CD1 C 131.690 0.025 3 321 1538 31 PHE CD2 C 131.690 0.025 3 322 1538 31 PHE CE1 C 132.143 0.000 3 323 1538 31 PHE CE2 C 132.143 0.000 3 324 1538 31 PHE CZ C 130.301 0.000 1 325 1538 31 PHE N N 120.279 0.110 1 326 1539 32 THR H H 8.403 0.007 1 327 1539 32 THR HA H 4.968 0.096 1 328 1539 32 THR HB H 3.685 0.111 1 329 1539 32 THR HG2 H 0.729 0.114 1 330 1539 32 THR C C 174.674 0.000 1 331 1539 32 THR CA C 61.130 0.052 1 332 1539 32 THR CB C 71.432 0.067 1 333 1539 32 THR CG2 C 22.188 0.000 1 334 1539 32 THR N N 115.670 0.064 1 335 1540 33 ALA H H 8.620 0.015 1 336 1540 33 ALA HA H 4.326 0.000 1 337 1540 33 ALA HB H 0.946 0.091 1 338 1540 33 ALA C C 176.747 0.000 1 339 1540 33 ALA CA C 50.641 0.017 1 340 1540 33 ALA CB C 21.359 0.028 1 341 1540 33 ALA N N 126.785 0.097 1 342 1541 34 ALA H H 8.065 0.012 1 343 1541 34 ALA HA H 4.112 0.119 1 344 1541 34 ALA HB H 1.084 0.119 1 345 1541 34 ALA C C 177.933 0.000 1 346 1541 34 ALA CA C 52.914 0.087 1 347 1541 34 ALA CB C 19.887 0.055 1 348 1541 34 ALA N N 125.462 0.120 1 349 1542 35 TYR H H 8.223 0.012 1 350 1542 35 TYR HA H 4.560 0.141 1 351 1542 35 TYR HB2 H 2.706 0.127 2 352 1542 35 TYR HB3 H 2.508 0.141 2 353 1542 35 TYR HD1 H 6.603 0.009 3 354 1542 35 TYR HD2 H 6.603 0.009 3 355 1542 35 TYR HE1 H 6.253 0.002 3 356 1542 35 TYR HE2 H 6.253 0.002 3 357 1542 35 TYR C C 175.363 0.000 1 358 1542 35 TYR CA C 57.379 0.044 1 359 1542 35 TYR CB C 39.969 0.107 1 360 1542 35 TYR CD1 C 131.967 0.181 3 361 1542 35 TYR CD2 C 131.967 0.181 3 362 1542 35 TYR CE1 C 117.722 0.141 3 363 1542 35 TYR CE2 C 117.722 0.141 3 364 1542 35 TYR N N 120.830 0.083 1 365 1543 36 ALA H H 7.766 0.009 1 366 1543 36 ALA HA H 3.862 0.117 1 367 1543 36 ALA HB H 0.816 0.101 1 368 1543 36 ALA C C 178.415 0.000 1 369 1543 36 ALA CA C 53.273 0.031 1 370 1543 36 ALA CB C 19.663 0.052 1 371 1543 36 ALA N N 126.697 0.092 1 372 1544 37 LYS H H 7.371 0.024 1 373 1544 37 LYS HA H 3.762 0.092 1 374 1544 37 LYS HB2 H 1.518 0.139 2 375 1544 37 LYS HB3 H 1.874 0.000 2 376 1544 37 LYS HG2 H 1.024 0.134 2 377 1544 37 LYS HG3 H 1.064 0.165 2 378 1544 37 LYS HD2 H 1.480 0.163 2 379 1544 37 LYS HD3 H 1.330 0.156 2 380 1544 37 LYS HE2 H 2.969 0.000 2 381 1544 37 LYS HE3 H 2.983 0.000 2 382 1544 37 LYS C C 177.644 0.000 1 383 1544 37 LYS CA C 57.477 0.050 1 384 1544 37 LYS CB C 31.679 0.037 1 385 1544 37 LYS CG C 25.105 0.087 1 386 1544 37 LYS CD C 29.158 0.000 1 387 1544 37 LYS CE C 42.493 0.000 1 388 1544 37 LYS N N 117.511 0.139 1 389 1545 38 GLY H H 7.621 0.018 1 390 1545 38 GLY HA2 H 3.606 0.177 2 391 1545 38 GLY HA3 H 3.609 0.133 2 392 1545 38 GLY C C 174.504 0.000 1 393 1545 38 GLY CA C 45.849 0.020 1 394 1545 38 GLY N N 108.996 0.110 1 395 1546 39 TRP H H 7.560 0.012 1 396 1546 39 TRP HA H 4.542 0.193 1 397 1546 39 TRP HB2 H 3.142 0.105 2 398 1546 39 TRP HB3 H 2.898 0.125 2 399 1546 39 TRP HD1 H 6.861 0.004 1 400 1546 39 TRP HE1 H 9.674 0.010 1 401 1546 39 TRP HE3 H 6.540 0.029 1 402 1546 39 TRP HZ2 H 7.037 0.009 1 403 1546 39 TRP HZ3 H 6.515 0.000 1 404 1546 39 TRP HH2 H 6.724 0.007 1 405 1546 39 TRP C C 176.456 0.000 1 406 1546 39 TRP CA C 57.063 0.021 1 407 1546 39 TRP CB C 30.650 0.057 1 408 1546 39 TRP CD1 C 127.146 0.082 1 409 1546 39 TRP CE3 C 123.316 0.000 1 410 1546 39 TRP CZ2 C 114.058 0.020 1 411 1546 39 TRP CH2 C 123.976 0.128 1 412 1546 39 TRP N N 120.886 0.165 1 413 1546 39 TRP NE1 N 129.090 0.036 1 414 1547 40 GLY H H 8.175 0.016 1 415 1547 40 GLY HA2 H 3.535 0.119 2 416 1547 40 GLY HA3 H 4.267 0.150 2 417 1547 40 GLY C C 173.832 0.000 1 418 1547 40 GLY CA C 45.281 0.029 1 419 1547 40 GLY N N 108.445 0.118 1 420 1548 41 VAL H H 8.240 0.017 1 421 1548 41 VAL HA H 4.333 0.115 1 422 1548 41 VAL HB H 1.701 0.147 1 423 1548 41 VAL HG1 H 0.582 0.136 2 424 1548 41 VAL HG2 H 0.438 0.081 2 425 1548 41 VAL C C 176.657 0.000 1 426 1548 41 VAL CA C 61.341 0.086 1 427 1548 41 VAL CB C 35.595 0.050 1 428 1548 41 VAL CG1 C 21.848 0.000 2 429 1548 41 VAL CG2 C 21.546 0.078 2 430 1548 41 VAL N N 119.908 0.111 1 431 1549 42 TYR H H 8.444 0.013 1 432 1549 42 TYR HA H 4.775 0.107 1 433 1549 42 TYR HB2 H 2.558 0.139 2 434 1549 42 TYR HB3 H 2.800 0.118 2 435 1549 42 TYR HD1 H 6.800 0.003 3 436 1549 42 TYR HD2 H 6.800 0.003 3 437 1549 42 TYR HE1 H 6.454 0.000 3 438 1549 42 TYR HE2 H 6.454 0.000 3 439 1549 42 TYR C C 176.555 0.000 1 440 1549 42 TYR CA C 57.814 0.067 1 441 1549 42 TYR CB C 40.060 0.080 1 442 1549 42 TYR CD1 C 132.010 0.010 3 443 1549 42 TYR CD2 C 132.010 0.010 3 444 1549 42 TYR CE1 C 117.670 0.000 3 445 1549 42 TYR CE2 C 117.670 0.000 3 446 1549 42 TYR N N 126.740 0.094 1 447 1550 43 MET H H 8.550 0.011 1 448 1550 43 MET HA H 5.397 0.106 1 449 1550 43 MET HB2 H 1.578 0.142 2 450 1550 43 MET HB3 H 1.544 0.113 2 451 1550 43 MET HG2 H 1.989 0.162 2 452 1550 43 MET HG3 H 1.873 0.149 2 453 1550 43 MET HE H 0.416 0.000 1 454 1550 43 MET C C 175.874 0.000 1 455 1550 43 MET CA C 55.200 0.046 1 456 1550 43 MET CB C 37.988 0.082 1 457 1550 43 MET CG C 30.367 0.039 1 458 1550 43 MET CE C 15.229 0.040 1 459 1550 43 MET N N 117.894 0.083 1 460 1551 44 SER H H 9.027 0.010 1 461 1551 44 SER HA H 5.293 0.146 1 462 1551 44 SER HB2 H 3.383 0.173 2 463 1551 44 SER HB3 H 3.642 0.000 2 464 1551 44 SER C C 174.011 0.000 1 465 1551 44 SER CA C 58.674 0.015 1 466 1551 44 SER CB C 68.220 0.002 1 467 1551 44 SER N N 120.703 0.052 1 468 1552 45 ILE H H 9.598 0.011 1 469 1552 45 ILE HA H 3.826 0.000 1 470 1552 45 ILE HB H 1.813 0.133 1 471 1552 45 ILE HG12 H 1.144 0.184 2 472 1552 45 ILE HG13 H 1.549 0.138 2 473 1552 45 ILE HG2 H 0.479 0.106 1 474 1552 45 ILE HD1 H 0.476 0.001 1 475 1552 45 ILE C C 176.844 0.000 1 476 1552 45 ILE CA C 58.513 0.063 1 477 1552 45 ILE CB C 36.659 0.060 1 478 1552 45 ILE CG1 C 27.634 0.075 1 479 1552 45 ILE CG2 C 17.699 0.079 1 480 1552 45 ILE CD1 C 9.686 0.010 1 481 1552 45 ILE N N 123.915 0.070 1 482 1553 46 CYS H H 7.818 0.010 1 483 1553 46 CYS HA H 4.215 0.117 1 484 1553 46 CYS HB2 H 3.804 0.121 2 485 1553 46 CYS HB3 H 2.900 0.121 2 486 1553 46 CYS C C 172.950 0.000 1 487 1553 46 CYS CA C 56.794 0.041 1 488 1553 46 CYS CB C 41.432 0.033 1 489 1553 46 CYS N N 118.402 0.064 1 490 1554 47 GLY H H 6.606 0.010 1 491 1554 47 GLY HA2 H 3.745 0.120 2 492 1554 47 GLY HA3 H 3.375 0.114 2 493 1554 47 GLY C C 170.764 0.000 1 494 1554 47 GLY CA C 45.666 0.069 1 495 1554 47 GLY N N 100.666 0.078 1 496 1555 48 GLU H H 7.536 0.014 1 497 1555 48 GLU HA H 3.448 0.094 1 498 1555 48 GLU HB2 H 1.810 0.114 2 499 1555 48 GLU HB3 H 1.886 0.101 2 500 1555 48 GLU HG2 H 1.249 0.126 2 501 1555 48 GLU HG3 H 1.496 0.104 2 502 1555 48 GLU C C 174.823 0.000 1 503 1555 48 GLU CA C 55.305 0.069 1 504 1555 48 GLU CB C 29.025 0.110 1 505 1555 48 GLU CG C 34.791 0.035 1 506 1555 48 GLU N N 115.215 0.085 1 507 1556 49 ASN H H 7.718 0.012 1 508 1556 49 ASN HA H 5.163 0.094 1 509 1556 49 ASN HB2 H 2.287 0.095 2 510 1556 49 ASN HB3 H 1.822 0.108 2 511 1556 49 ASN HD21 H 6.677 0.000 2 512 1556 49 ASN HD22 H 7.499 0.000 2 513 1556 49 ASN C C 178.771 0.000 1 514 1556 49 ASN CA C 52.818 0.064 1 515 1556 49 ASN CB C 43.929 0.070 1 516 1556 49 ASN N N 117.578 0.079 1 517 1556 49 ASN ND2 N 116.617 0.004 1 518 1557 50 GLU H H 8.910 0.013 1 519 1557 50 GLU HA H 3.834 0.108 1 520 1557 50 GLU HB2 H 1.582 0.168 2 521 1557 50 GLU HB3 H 2.193 0.000 2 522 1557 50 GLU HG2 H 1.991 0.121 2 523 1557 50 GLU HG3 H 2.149 0.145 2 524 1557 50 GLU C C 175.870 0.000 1 525 1557 50 GLU CA C 57.960 0.080 1 526 1557 50 GLU CB C 28.968 0.060 1 527 1557 50 GLU CG C 32.642 0.096 1 528 1557 50 GLU N N 125.752 0.113 1 529 1558 51 ASN H H 8.103 0.013 1 530 1558 51 ASN HA H 4.158 0.117 1 531 1558 51 ASN HB2 H 1.601 0.115 2 532 1558 51 ASN HB3 H 1.834 0.112 2 533 1558 51 ASN HD21 H 7.106 0.002 2 534 1558 51 ASN HD22 H 6.737 0.004 2 535 1558 51 ASN C C 174.492 0.000 1 536 1558 51 ASN CA C 54.205 0.021 1 537 1558 51 ASN CB C 39.429 0.068 1 538 1558 51 ASN N N 117.612 0.109 1 539 1558 51 ASN ND2 N 119.064 0.075 1 540 1559 52 CYS H H 7.256 0.011 1 541 1559 52 CYS HA H 4.896 0.006 1 542 1559 52 CYS HB2 H 2.284 0.009 2 543 1559 52 CYS HB3 H 2.776 0.006 2 544 1559 52 CYS CA C 50.757 0.029 1 545 1559 52 CYS CB C 39.390 0.146 1 546 1559 52 CYS N N 117.686 0.116 1 547 1560 53 PRO HA H 4.376 0.003 1 548 1560 53 PRO HB2 H 2.300 0.007 2 549 1560 53 PRO HB3 H 1.410 0.008 2 550 1560 53 PRO HG2 H 1.776 0.007 2 551 1560 53 PRO HG3 H 1.944 0.005 2 552 1560 53 PRO HD2 H 2.863 0.006 2 553 1560 53 PRO HD3 H 3.560 0.004 2 554 1560 53 PRO CA C 62.787 0.000 1 555 1560 53 PRO CB C 30.161 0.116 1 556 1560 53 PRO CG C 28.880 0.125 1 557 1560 53 PRO CD C 50.791 0.111 1 558 1561 54 PRO HA H 3.863 0.110 1 559 1561 54 PRO HB2 H 2.214 0.180 2 560 1561 54 PRO HB3 H 2.146 0.158 2 561 1561 54 PRO HG2 H 1.972 0.157 2 562 1561 54 PRO HG3 H 1.890 0.202 2 563 1561 54 PRO HD2 H 3.884 0.000 2 564 1561 54 PRO HD3 H 3.870 0.000 2 565 1561 54 PRO C C 178.855 0.000 1 566 1561 54 PRO CA C 65.041 0.070 1 567 1561 54 PRO CB C 32.074 0.043 1 568 1561 54 PRO CG C 28.058 0.000 1 569 1561 54 PRO CD C 50.490 0.000 1 570 1562 55 GLY H H 8.900 0.015 1 571 1562 55 GLY HA2 H 3.919 0.123 2 572 1562 55 GLY HA3 H 3.415 0.121 2 573 1562 55 GLY C C 175.195 0.000 1 574 1562 55 GLY CA C 45.823 0.025 1 575 1562 55 GLY N N 112.418 0.066 1 576 1563 56 VAL H H 7.845 0.012 1 577 1563 56 VAL HA H 3.544 0.086 1 578 1563 56 VAL HB H 2.183 0.104 1 579 1563 56 VAL HG1 H 0.564 0.073 2 580 1563 56 VAL HG2 H 0.882 0.072 2 581 1563 56 VAL C C 175.976 0.000 1 582 1563 56 VAL CA C 65.136 0.116 1 583 1563 56 VAL CB C 31.917 0.032 1 584 1563 56 VAL CG1 C 22.725 0.074 2 585 1563 56 VAL CG2 C 24.548 0.041 2 586 1563 56 VAL N N 124.879 0.122 1 587 1564 57 GLY H H 8.163 0.010 1 588 1564 57 GLY HA2 H 2.718 0.100 2 589 1564 57 GLY HA3 H 3.930 0.104 2 590 1564 57 GLY C C 172.035 0.000 1 591 1564 57 GLY CA C 46.687 0.025 1 592 1564 57 GLY N N 114.715 0.072 1 593 1565 58 ALA H H 7.021 0.010 1 594 1565 58 ALA HA H 3.708 0.192 1 595 1565 58 ALA HB H 0.866 0.101 1 596 1565 58 ALA C C 176.238 0.000 1 597 1565 58 ALA CA C 51.417 0.007 1 598 1565 58 ALA CB C 22.163 0.028 1 599 1565 58 ALA N N 119.525 0.099 1 600 1566 59 CYS H H 8.828 0.009 1 601 1566 59 CYS HA H 5.089 0.106 1 602 1566 59 CYS HB2 H 2.528 0.123 2 603 1566 59 CYS HB3 H 2.831 0.117 2 604 1566 59 CYS C C 172.841 0.000 1 605 1566 59 CYS CA C 55.785 0.045 1 606 1566 59 CYS CB C 42.961 0.095 1 607 1566 59 CYS N N 113.982 0.058 1 608 1567 60 PHE H H 8.123 0.007 1 609 1567 60 PHE HA H 4.759 0.105 1 610 1567 60 PHE HB2 H 3.015 0.114 2 611 1567 60 PHE HB3 H 2.654 0.138 2 612 1567 60 PHE HD1 H 6.622 0.007 3 613 1567 60 PHE HD2 H 6.622 0.007 3 614 1567 60 PHE HE1 H 6.241 0.008 3 615 1567 60 PHE HE2 H 6.241 0.008 3 616 1567 60 PHE HZ H 6.425 0.000 1 617 1567 60 PHE C C 177.751 0.000 1 618 1567 60 PHE CA C 58.363 0.009 1 619 1567 60 PHE CB C 41.462 0.129 1 620 1567 60 PHE CD1 C 130.559 0.210 3 621 1567 60 PHE CD2 C 130.559 0.210 3 622 1567 60 PHE CE1 C 131.968 0.000 3 623 1567 60 PHE CE2 C 131.968 0.000 3 624 1567 60 PHE CZ C 129.445 0.000 1 625 1567 60 PHE N N 118.910 0.110 1 626 1568 61 GLY H H 8.604 0.013 1 627 1568 61 GLY HA2 H 3.632 0.143 2 628 1568 61 GLY HA3 H 3.681 0.121 2 629 1568 61 GLY C C 176.469 0.000 1 630 1568 61 GLY CA C 46.602 0.060 1 631 1568 61 GLY N N 109.518 0.090 1 632 1569 62 GLN H H 8.417 0.008 1 633 1569 62 GLN HA H 3.580 0.080 1 634 1569 62 GLN HB2 H 1.697 0.120 2 635 1569 62 GLN HB3 H 1.668 0.167 2 636 1569 62 GLN HG2 H 1.824 0.141 2 637 1569 62 GLN HG3 H 2.221 0.000 2 638 1569 62 GLN HE21 H 6.367 0.007 2 639 1569 62 GLN HE22 H 6.942 0.002 2 640 1569 62 GLN C C 178.518 0.000 1 641 1569 62 GLN CA C 59.628 0.186 1 642 1569 62 GLN CB C 28.564 0.006 1 643 1569 62 GLN CG C 33.884 0.101 1 644 1569 62 GLN N N 119.089 0.052 1 645 1569 62 GLN NE2 N 111.555 0.036 1 646 1570 63 THR H H 7.450 0.009 1 647 1570 63 THR HA H 4.043 0.139 1 648 1570 63 THR HB H 3.972 0.000 1 649 1570 63 THR HG2 H 0.923 0.146 1 650 1570 63 THR C C 175.856 0.000 1 651 1570 63 THR CA C 61.632 0.055 1 652 1570 63 THR CB C 70.083 0.021 1 653 1570 63 THR CG2 C 22.275 0.000 1 654 1570 63 THR N N 106.732 0.091 1 655 1571 64 ARG H H 7.548 0.014 1 656 1571 64 ARG HA H 3.531 0.110 1 657 1571 64 ARG HB2 H 1.896 0.157 2 658 1571 64 ARG HB3 H 2.200 0.000 2 659 1571 64 ARG HG2 H 1.467 0.122 2 660 1571 64 ARG HG3 H 1.298 0.128 2 661 1571 64 ARG HD2 H 2.997 0.133 2 662 1571 64 ARG HD3 H 3.022 0.164 2 663 1571 64 ARG HE H 6.631 0.025 1 664 1571 64 ARG C C 176.062 0.000 1 665 1571 64 ARG CA C 56.921 0.056 1 666 1571 64 ARG CB C 27.453 0.038 1 667 1571 64 ARG CG C 27.722 0.143 1 668 1571 64 ARG CD C 43.135 0.124 1 669 1571 64 ARG N N 116.498 0.107 1 670 1571 64 ARG NE N 85.465 0.003 1 671 1572 65 ILE H H 7.168 0.011 1 672 1572 65 ILE HA H 3.552 0.116 1 673 1572 65 ILE HB H 1.301 0.155 1 674 1572 65 ILE HG12 H 0.975 0.146 2 675 1572 65 ILE HG13 H 0.908 0.132 2 676 1572 65 ILE HG2 H 0.567 0.103 1 677 1572 65 ILE HD1 H 0.541 0.105 1 678 1572 65 ILE C C 177.658 0.000 1 679 1572 65 ILE CA C 62.135 0.101 1 680 1572 65 ILE CB C 39.118 0.022 1 681 1572 65 ILE CG1 C 28.464 0.089 1 682 1572 65 ILE CG2 C 17.541 0.139 1 683 1572 65 ILE CD1 C 12.280 0.064 1 684 1572 65 ILE N N 120.263 0.121 1 685 1573 66 SER H H 8.186 0.010 1 686 1573 66 SER HA H 4.085 0.114 1 687 1573 66 SER HB2 H 3.773 0.176 2 688 1573 66 SER HB3 H 3.658 0.165 2 689 1573 66 SER HG H 5.803 0.002 1 690 1573 66 SER C C 177.700 0.000 1 691 1573 66 SER CA C 57.828 0.076 1 692 1573 66 SER CB C 64.093 0.081 1 693 1573 66 SER N N 120.641 0.085 1 694 1574 67 VAL H H 8.583 0.010 1 695 1574 67 VAL HA H 4.427 0.166 1 696 1574 67 VAL HB H 1.948 0.124 1 697 1574 67 VAL HG1 H -0.345 0.097 2 698 1574 67 VAL HG2 H 0.061 0.071 2 699 1574 67 VAL C C 174.997 0.000 1 700 1574 67 VAL CA C 59.871 0.008 1 701 1574 67 VAL CB C 29.495 0.063 1 702 1574 67 VAL CG1 C 22.821 0.092 2 703 1574 67 VAL CG2 C 19.919 0.052 2 704 1574 67 VAL N N 121.405 0.000 1 705 1575 68 GLY H H 7.440 0.010 1 706 1575 68 GLY HA2 H 4.596 0.000 2 707 1575 68 GLY HA3 H 4.402 0.164 2 708 1575 68 GLY C C 174.322 0.000 1 709 1575 68 GLY CA C 45.677 0.012 1 710 1575 68 GLY N N 106.630 0.075 1 711 1576 69 LYS H H 8.700 0.011 1 712 1576 69 LYS HA H 3.945 0.092 1 713 1576 69 LYS HB2 H 1.642 0.156 2 714 1576 69 LYS HB3 H 1.996 0.000 2 715 1576 69 LYS HG2 H 1.087 0.133 2 716 1576 69 LYS HG3 H 1.258 0.134 2 717 1576 69 LYS HD2 H 1.507 0.121 2 718 1576 69 LYS HD3 H 1.544 0.165 2 719 1576 69 LYS HE2 H 2.941 0.192 2 720 1576 69 LYS HE3 H 3.167 0.000 2 721 1576 69 LYS C C 177.525 0.000 1 722 1576 69 LYS CA C 57.536 0.081 1 723 1576 69 LYS CB C 33.253 0.000 1 724 1576 69 LYS CG C 26.072 0.019 1 725 1576 69 LYS CD C 29.953 0.000 1 726 1576 69 LYS CE C 42.526 0.000 1 727 1576 69 LYS N N 126.923 0.075 1 728 1577 70 ALA H H 7.576 0.011 1 729 1577 70 ALA HA H 2.199 0.091 1 730 1577 70 ALA HB H 0.299 0.121 1 731 1577 70 ALA C C 177.202 0.000 1 732 1577 70 ALA CA C 52.346 0.034 1 733 1577 70 ALA CB C 18.841 0.038 1 734 1577 70 ALA N N 123.919 0.086 1 735 1578 71 ASN H H 6.614 0.008 1 736 1578 71 ASN HA H 4.329 0.119 1 737 1578 71 ASN HB2 H 2.684 0.124 2 738 1578 71 ASN HB3 H 2.666 0.094 2 739 1578 71 ASN HD21 H 7.622 0.003 2 740 1578 71 ASN HD22 H 7.789 0.006 2 741 1578 71 ASN C C 173.139 0.000 1 742 1578 71 ASN CA C 53.656 0.105 1 743 1578 71 ASN CB C 41.479 0.065 1 744 1578 71 ASN N N 113.381 0.114 1 745 1578 71 ASN ND2 N 119.395 0.017 1 746 1579 72 LYS H H 8.366 0.015 1 747 1579 72 LYS HA H 4.551 0.146 1 748 1579 72 LYS HB2 H 1.644 0.150 2 749 1579 72 LYS HB3 H 1.798 0.151 2 750 1579 72 LYS HG2 H 1.257 0.000 2 751 1579 72 LYS HG3 H 1.052 0.162 2 752 1579 72 LYS HD2 H 1.564 0.177 2 753 1579 72 LYS HD3 H 1.697 0.000 2 754 1579 72 LYS HE2 H 2.897 0.171 2 755 1579 72 LYS HE3 H 3.084 0.000 2 756 1579 72 LYS C C 177.227 0.000 1 757 1579 72 LYS CA C 54.960 0.048 1 758 1579 72 LYS CB C 33.153 0.020 1 759 1579 72 LYS CG C 24.841 0.064 1 760 1579 72 LYS CD C 30.263 0.080 1 761 1579 72 LYS CE C 42.550 0.000 1 762 1579 72 LYS N N 115.659 0.080 1 763 1580 73 ARG H H 8.173 0.014 1 764 1580 73 ARG HA H 4.423 0.168 1 765 1580 73 ARG HB2 H 1.462 0.166 2 766 1580 73 ARG HB3 H 1.601 0.143 2 767 1580 73 ARG HG2 H 1.208 0.189 2 768 1580 73 ARG HG3 H 1.423 0.000 2 769 1580 73 ARG HD2 H 3.141 0.168 2 770 1580 73 ARG HD3 H 3.061 0.172 2 771 1580 73 ARG HE H 7.127 0.000 1 772 1580 73 ARG C C 175.319 0.000 1 773 1580 73 ARG CA C 55.411 0.034 1 774 1580 73 ARG CB C 29.174 0.039 1 775 1580 73 ARG CG C 27.639 0.000 1 776 1580 73 ARG CD C 43.673 0.000 1 777 1580 73 ARG N N 122.988 0.124 1 778 1580 73 ARG NE N 84.826 0.000 1 779 1581 74 LEU H H 8.028 0.016 1 780 1581 74 LEU HA H 4.249 0.117 1 781 1581 74 LEU HB2 H 1.334 0.143 2 782 1581 74 LEU HB3 H 1.676 0.000 2 783 1581 74 LEU HG H 0.758 0.164 1 784 1581 74 LEU HD1 H 0.262 0.116 2 785 1581 74 LEU HD2 H 0.369 0.132 2 786 1581 74 LEU C C 176.663 0.000 1 787 1581 74 LEU CA C 55.117 0.073 1 788 1581 74 LEU CB C 44.625 0.035 1 789 1581 74 LEU CG C 26.360 0.000 1 790 1581 74 LEU CD1 C 24.545 0.000 2 791 1581 74 LEU CD2 C 25.240 0.000 2 792 1581 74 LEU N N 129.658 0.071 1 793 1582 75 ARG H H 8.552 0.009 1 794 1582 75 ARG HA H 4.760 0.153 1 795 1582 75 ARG HB2 H 1.549 0.158 2 796 1582 75 ARG HB3 H 1.845 0.000 2 797 1582 75 ARG HG2 H 1.372 0.143 2 798 1582 75 ARG HG3 H 1.389 0.141 2 799 1582 75 ARG HD2 H 2.955 0.131 2 800 1582 75 ARG HD3 H 3.048 0.154 2 801 1582 75 ARG HE H 6.899 0.000 1 802 1582 75 ARG C C 175.388 0.000 1 803 1582 75 ARG CA C 54.850 0.030 1 804 1582 75 ARG CB C 34.267 0.040 1 805 1582 75 ARG CG C 27.679 0.038 1 806 1582 75 ARG CD C 43.917 0.072 1 807 1582 75 ARG N N 123.626 0.123 1 808 1582 75 ARG NE N 84.523 0.000 1 809 1583 76 TYR H H 8.616 0.007 1 810 1583 76 TYR HA H 4.571 0.144 1 811 1583 76 TYR HB2 H 2.281 0.103 2 812 1583 76 TYR HB3 H 2.817 0.106 2 813 1583 76 TYR HD1 H 6.489 0.008 3 814 1583 76 TYR HD2 H 6.489 0.008 3 815 1583 76 TYR HE1 H 6.550 0.018 3 816 1583 76 TYR HE2 H 6.550 0.018 3 817 1583 76 TYR C C 175.519 0.000 1 818 1583 76 TYR CA C 57.952 0.0008 1 819 1583 76 TYR CB C 40.338 0.112 1 820 1583 76 TYR CD1 C 132.933 0.005 3 821 1583 76 TYR CD2 C 132.933 0.000 3 822 1583 76 TYR N N 124.956 0.082 1 823 1584 77 VAL H H 8.372 0.012 1 824 1584 77 VAL HA H 3.916 0.102 1 825 1584 77 VAL HB H 1.576 0.139 1 826 1584 77 VAL HG1 H 0.786 0.000 2 827 1584 77 VAL HG2 H 0.449 0.102 2 828 1584 77 VAL C C 175.697 0.000 1 829 1584 77 VAL CA C 60.779 0.079 1 830 1584 77 VAL CB C 33.810 0.018 1 831 1584 77 VAL CG1 C 20.607 0.000 2 832 1584 77 VAL CG2 C 20.419 0.000 2 833 1584 77 VAL N N 128.174 0.080 1 834 1585 78 ASP H H 8.711 0.010 1 835 1585 78 ASP HA H 3.917 0.102 1 836 1585 78 ASP HB2 H 2.607 0.142 2 837 1585 78 ASP HB3 H 2.254 0.130 2 838 1585 78 ASP C C 175.009 0.000 1 839 1585 78 ASP CA C 55.865 0.035 1 840 1585 78 ASP CB C 39.297 0.065 1 841 1585 78 ASP N N 126.544 0.089 1 842 1586 79 GLN H H 6.204 0.020 1 843 1586 79 GLN HA H 3.204 0.091 1 844 1586 79 GLN HB2 H 2.030 0.133 2 845 1586 79 GLN HB3 H 2.236 0.119 2 846 1586 79 GLN HG2 H 2.021 0.119 2 847 1586 79 GLN HG3 H 2.130 0.112 2 848 1586 79 GLN HE21 H 7.264 0.003 2 849 1586 79 GLN HE22 H 6.547 0.014 2 850 1586 79 GLN C C 175.228 0.000 1 851 1586 79 GLN CA C 58.809 0.060 1 852 1586 79 GLN CB C 27.887 0.056 1 853 1586 79 GLN CG C 35.324 0.109 1 854 1586 79 GLN N N 104.126 0.093 1 855 1586 79 GLN NE2 N 112.353 0.008 1 856 1587 80 VAL H H 7.286 0.009 1 857 1587 80 VAL HA H 4.164 0.123 1 858 1587 80 VAL HB H 1.800 0.118 1 859 1587 80 VAL HG1 H 0.772 0.155 2 860 1587 80 VAL HG2 H 0.564 0.095 2 861 1587 80 VAL C C 175.118 0.000 1 862 1587 80 VAL CA C 60.844 0.070 1 863 1587 80 VAL CB C 34.396 0.046 1 864 1587 80 VAL CG1 C 21.682 0.000 2 865 1587 80 VAL CG2 C 21.452 0.000 2 866 1587 80 VAL N N 120.537 0.061 1 867 1588 81 LEU H H 7.893 0.010 1 868 1588 81 LEU HA H 5.066 0.100 1 869 1588 81 LEU HB2 H 1.434 0.117 2 870 1588 81 LEU HB3 H 1.781 0.000 2 871 1588 81 LEU HG H 1.010 0.105 1 872 1588 81 LEU HD1 H 0.115 0.096 2 873 1588 81 LEU HD2 H -0.226 0.082 2 874 1588 81 LEU C C 177.909 0.000 1 875 1588 81 LEU CA C 52.579 0.037 1 876 1588 81 LEU CB C 42.879 0.127 1 877 1588 81 LEU CG C 27.219 0.023 1 878 1588 81 LEU CD1 C 25.589 0.053 2 879 1588 81 LEU CD2 C 23.132 0.033 2 880 1588 81 LEU N N 122.441 0.070 1 881 1589 82 GLN H H 9.044 0.007 1 882 1589 82 GLN HA H 5.649 0.081 1 883 1589 82 GLN HB2 H 1.389 0.106 2 884 1589 82 GLN HB3 H 1.509 0.110 2 885 1589 82 GLN HG2 H 1.845 0.122 2 886 1589 82 GLN HG3 H 1.781 0.104 2 887 1589 82 GLN HE21 H 6.675 0.005 2 888 1589 82 GLN HE22 H 6.367 0.009 2 889 1589 82 GLN C C 176.262 0.000 1 890 1589 82 GLN CA C 55.221 0.052 1 891 1589 82 GLN CB C 35.871 0.092 1 892 1589 82 GLN CG C 35.843 0.054 1 893 1589 82 GLN N N 121.871 0.108 1 894 1589 82 GLN NE2 N 109.730 0.042 1 895 1590 83 LEU H H 8.596 0.013 1 896 1590 83 LEU HA H 4.512 0.110 1 897 1590 83 LEU HB2 H 1.424 0.000 2 898 1590 83 LEU HB3 H 1.075 0.084 2 899 1590 83 LEU HG H 1.271 0.122 1 900 1590 83 LEU HD1 H 0.775 0.081 2 901 1590 83 LEU HD2 H 0.646 0.063 2 902 1590 83 LEU C C 175.692 0.000 1 903 1590 83 LEU CA C 53.965 0.015 1 904 1590 83 LEU CB C 47.701 0.070 1 905 1590 83 LEU CG C 26.059 0.000 1 906 1590 83 LEU CD1 C 24.747 0.000 2 907 1590 83 LEU CD2 C 24.539 0.036 2 908 1590 83 LEU N N 126.363 0.099 1 909 1591 84 VAL H H 9.050 0.009 1 910 1591 84 VAL HA H 4.754 0.162 1 911 1591 84 VAL HB H 1.759 0.140 1 912 1591 84 VAL HG1 H 0.678 0.135 2 913 1591 84 VAL HG2 H 0.568 0.143 2 914 1591 84 VAL C C 177.344 0.000 1 915 1591 84 VAL CA C 61.297 0.046 1 916 1591 84 VAL CB C 34.524 0.026 1 917 1591 84 VAL CG1 C 21.260 0.000 2 918 1591 84 VAL CG2 C 20.931 0.000 2 919 1591 84 VAL N N 122.506 0.085 1 920 1592 85 TYR H H 8.991 0.013 1 921 1592 85 TYR HA H 4.948 0.137 1 922 1592 85 TYR HB2 H 2.627 0.145 2 923 1592 85 TYR HB3 H 2.875 0.145 2 924 1592 85 TYR HD1 H 6.488 0.022 3 925 1592 85 TYR HD2 H 6.488 0.022 3 926 1592 85 TYR HE1 H 6.729 0.006 3 927 1592 85 TYR HE2 H 6.729 0.006 3 928 1592 85 TYR HH H 9.922 0.006 1 929 1592 85 TYR C C 175.242 0.000 1 930 1592 85 TYR CA C 52.668 0.064 1 931 1592 85 TYR CB C 38.469 0.016 1 932 1592 85 TYR CE1 C 116.257 0.121 3 933 1592 85 TYR CE2 C 116.257 0.121 3 934 1592 85 TYR N N 129.367 0.110 1 935 1593 86 LYS H H 8.675 0.009 1 936 1593 86 LYS HA H 4.777 0.153 1 937 1593 86 LYS HB2 H 1.695 0.141 2 938 1593 86 LYS HB3 H 1.783 0.157 2 939 1593 86 LYS HG2 H 1.275 0.189 2 940 1593 86 LYS HG3 H 1.382 0.000 2 941 1593 86 LYS HD2 H 1.518 0.151 2 942 1593 86 LYS HD3 H 1.466 0.159 2 943 1593 86 LYS HE2 H 3.064 0.000 2 944 1593 86 LYS HE3 H 2.768 0.180 2 945 1593 86 LYS C C 176.192 0.000 1 946 1593 86 LYS CA C 54.757 0.001 1 947 1593 86 LYS CB C 35.802 0.045 1 948 1593 86 LYS CG C 24.677 0.000 1 949 1593 86 LYS CD C 29.664 0.059 1 950 1593 86 LYS CE C 42.078 0.000 1 951 1593 86 LYS N N 122.285 0.095 1 952 1594 87 ASP H H 8.847 0.014 1 953 1594 87 ASP HA H 4.058 0.095 1 954 1594 87 ASP HB2 H 2.630 0.156 2 955 1594 87 ASP HB3 H 2.703 0.114 2 956 1594 87 ASP C C 177.804 0.000 1 957 1594 87 ASP CA C 56.114 0.057 1 958 1594 87 ASP CB C 38.797 0.086 1 959 1594 87 ASP N N 115.459 0.102 1 960 1595 88 GLY H H 7.790 0.011 1 961 1595 88 GLY HA2 H 3.233 0.148 2 962 1595 88 GLY HA3 H 3.998 0.139 2 963 1595 88 GLY C C 172.864 0.000 1 964 1595 88 GLY CA C 45.050 0.044 1 965 1595 88 GLY N N 103.657 0.040 1 966 1596 89 SER H H 8.315 0.012 1 967 1596 89 SER HA H 4.409 0.015 1 968 1596 89 SER HB2 H 3.962 0.008 2 969 1596 89 SER HB3 H 3.768 0.002 2 970 1596 89 SER CA C 59.923 0.000 1 971 1596 89 SER CB C 63.110 0.117 1 972 1596 89 SER N N 115.438 0.118 1 973 1597 90 PRO HA H 4.134 0.117 1 974 1597 90 PRO HB2 H 2.270 0.000 2 975 1597 90 PRO HB3 H 2.329 0.000 2 976 1597 90 PRO HG2 H 2.004 0.000 2 977 1597 90 PRO HG3 H 2.045 0.000 2 978 1597 90 PRO HD2 H 3.632 0.153 2 979 1597 90 PRO HD3 H 3.580 0.193 2 980 1597 90 PRO C C 176.664 0.000 1 981 1597 90 PRO CA C 64.360 0.083 1 982 1597 90 PRO CB C 32.472 0.000 1 983 1597 90 PRO CG C 28.405 0.000 1 984 1597 90 PRO CD C 51.015 0.030 1 985 1598 91 CYS H H 8.015 0.011 1 986 1598 91 CYS HA H 4.289 0.002 1 987 1598 91 CYS HB2 H 2.369 0.006 2 988 1598 91 CYS HB3 H 1.861 0.004 2 989 1598 91 CYS CA C 52.203 0.185 1 990 1598 91 CYS CB C 42.735 0.067 1 991 1598 91 CYS N N 122.842 0.066 1 992 1599 92 PRO HA H 4.121 0.120 1 993 1599 92 PRO HB2 H 2.068 0.125 2 994 1599 92 PRO HB3 H 2.388 0.000 2 995 1599 92 PRO HG2 H 1.878 0.158 2 996 1599 92 PRO HG3 H 1.787 0.156 2 997 1599 92 PRO HD2 H 3.479 0.108 2 998 1599 92 PRO HD3 H 3.595 0.149 2 999 1599 92 PRO C C 177.911 0.000 1 1000 1599 92 PRO CA C 64.663 0.032 1 1001 1599 92 PRO CB C 32.054 0.038 1 1002 1599 92 PRO CG C 27.790 0.027 1 1003 1599 92 PRO CD C 51.992 0.057 1 1004 1600 93 SER H H 7.092 0.000 1 1005 1600 93 SER HA H 4.116 0.159 1 1006 1600 93 SER HB2 H 3.665 0.135 2 1007 1600 93 SER HB3 H 3.680 0.151 2 1008 1600 93 SER C C 175.150 0.000 1 1009 1600 93 SER CA C 59.314 0.051 1 1010 1600 93 SER CB C 64.054 0.013 1 1011 1600 93 SER N N 112.493 0.067 1 1012 1601 94 LYS H H 7.060 0.015 1 1013 1601 94 LYS HA H 4.089 0.105 1 1014 1601 94 LYS HB2 H 2.318 0.000 2 1015 1601 94 LYS HB3 H 2.354 0.000 2 1016 1601 94 LYS HG2 H 1.198 0.161 2 1017 1601 94 LYS HG3 H 1.156 0.150 2 1018 1601 94 LYS HD2 H 1.562 0.175 2 1019 1601 94 LYS HD3 H 1.441 0.132 2 1020 1601 94 LYS HE2 H 2.879 0.191 2 1021 1601 94 LYS HE3 H 2.971 0.000 2 1022 1601 94 LYS C C 175.755 0.000 1 1023 1601 94 LYS CA C 56.296 0.091 1 1024 1601 94 LYS CB C 33.511 0.003 1 1025 1601 94 LYS CG C 24.461 0.001 1 1026 1601 94 LYS CD C 28.792 0.033 1 1027 1601 94 LYS CE C 42.639 0.000 1 1028 1601 94 LYS N N 122.405 0.106 1 1029 1602 95 SER H H 7.996 0.013 1 1030 1602 95 SER HA H 4.085 0.122 1 1031 1602 95 SER HB2 H 3.596 0.149 2 1032 1602 95 SER HB3 H 3.868 0.000 2 1033 1602 95 SER C C 176.555 0.000 1 1034 1602 95 SER CA C 59.898 0.051 1 1035 1602 95 SER CB C 63.422 0.061 1 1036 1602 95 SER N N 118.089 0.086 1 1037 1603 96 GLY H H 8.198 0.010 1 1038 1603 96 GLY HA2 H 3.895 0.124 2 1039 1603 96 GLY HA3 H 3.560 0.156 2 1040 1603 96 GLY C C 175.279 0.000 1 1041 1603 96 GLY CA C 46.076 0.050 1 1042 1603 96 GLY N N 113.147 0.120 1 1043 1604 97 LEU H H 7.353 0.009 1 1044 1604 97 LEU HA H 4.433 0.159 1 1045 1604 97 LEU HB2 H 1.816 0.000 2 1046 1604 97 LEU HB3 H 1.470 0.134 2 1047 1604 97 LEU HG H 1.259 0.130 1 1048 1604 97 LEU HD1 H 1.357 0.000 2 1049 1604 97 LEU HD2 H 0.536 0.109 2 1050 1604 97 LEU C C 177.442 0.000 1 1051 1604 97 LEU CA C 54.750 0.007 1 1052 1604 97 LEU CB C 43.784 0.093 1 1053 1604 97 LEU CG C 27.546 0.045 1 1054 1604 97 LEU CD1 C 25.578 0.000 2 1055 1604 97 LEU CD2 C 23.377 0.097 2 1056 1604 97 LEU N N 119.711 0.084 1 1057 1605 98 SER H H 8.005 0.019 1 1058 1605 98 SER HA H 4.618 0.112 1 1059 1605 98 SER HB2 H 3.513 0.112 2 1060 1605 98 SER HB3 H 3.366 0.105 2 1061 1605 98 SER C C 174.639 0.000 1 1062 1605 98 SER CA C 57.001 0.008 1 1063 1605 98 SER CB C 66.210 0.130 1 1064 1605 98 SER N N 117.110 0.101 1 1065 1606 99 TYR H H 8.369 0.016 1 1066 1606 99 TYR HA H 4.839 0.103 1 1067 1606 99 TYR HB2 H 2.615 0.139 2 1068 1606 99 TYR HB3 H 2.808 0.130 2 1069 1606 99 TYR HD1 H 6.784 0.023 3 1070 1606 99 TYR HD2 H 6.784 0.023 3 1071 1606 99 TYR HE1 H 6.427 0.007 3 1072 1606 99 TYR HE2 H 6.427 0.007 3 1073 1606 99 TYR C C 176.740 0.000 1 1074 1606 99 TYR CA C 60.319 0.046 1 1075 1606 99 TYR CB C 42.297 0.066 1 1076 1606 99 TYR CE1 C 117.071 0.000 3 1077 1606 99 TYR CE2 C 117.071 0.000 3 1078 1606 99 TYR N N 119.939 0.135 1 1079 1607 100 LYS H H 8.026 0.015 1 1080 1607 100 LYS HA H 4.850 0.123 1 1081 1607 100 LYS HB2 H 1.630 0.104 2 1082 1607 100 LYS HB3 H 1.955 0.000 2 1083 1607 100 LYS HG2 H 1.106 0.190 2 1084 1607 100 LYS HG3 H 0.958 0.130 2 1085 1607 100 LYS HD2 H 1.656 0.000 2 1086 1607 100 LYS HD3 H 1.278 0.148 2 1087 1607 100 LYS HE2 H 2.612 0.113 2 1088 1607 100 LYS HE3 H 2.696 0.177 2 1089 1607 100 LYS C C 175.567 0.000 1 1090 1607 100 LYS CA C 55.208 0.039 1 1091 1607 100 LYS CB C 36.948 0.105 1 1092 1607 100 LYS CG C 23.896 0.049 1 1093 1607 100 LYS CD C 29.831 0.000 1 1094 1607 100 LYS CE C 43.380 0.000 1 1095 1607 100 LYS N N 116.899 0.138 1 1096 1608 101 SER H H 8.928 0.008 1 1097 1608 101 SER HA H 5.278 0.132 1 1098 1608 101 SER HB2 H 3.342 0.151 2 1099 1608 101 SER HB3 H 3.468 0.159 2 1100 1608 101 SER C C 173.148 0.000 1 1101 1608 101 SER CA C 58.879 0.037 1 1102 1608 101 SER CB C 66.587 0.075 1 1103 1608 101 SER N N 116.721 0.089 1 1104 1609 102 VAL H H 8.834 0.009 1 1105 1609 102 VAL HA H 4.156 0.131 1 1106 1609 102 VAL HB H 1.719 0.166 1 1107 1609 102 VAL HG1 H 0.577 0.109 2 1108 1609 102 VAL HG2 H 0.384 0.103 2 1109 1609 102 VAL C C 175.975 0.000 1 1110 1609 102 VAL CA C 61.857 0.118 1 1111 1609 102 VAL CB C 33.197 0.022 1 1112 1609 102 VAL CG1 C 20.917 0.020 2 1113 1609 102 VAL CG2 C 20.672 0.059 2 1114 1609 102 VAL N N 125.361 0.084 1 1115 1610 103 ILE H H 9.021 0.009 1 1116 1610 103 ILE HA H 4.017 0.145 1 1117 1610 103 ILE HB H 1.255 0.127 1 1118 1610 103 ILE HG12 H 0.922 0.166 2 1119 1610 103 ILE HG13 H 0.881 0.140 2 1120 1610 103 ILE HG2 H 0.370 0.017 1 1121 1610 103 ILE HD1 H -0.197 0.072 1 1122 1610 103 ILE C C 175.186 0.000 1 1123 1610 103 ILE CA C 61.266 0.182 1 1124 1610 103 ILE CB C 39.798 0.027 1 1125 1610 103 ILE CG1 C 27.797 0.000 1 1126 1610 103 ILE CG2 C 18.485 0.031 1 1127 1610 103 ILE CD1 C 13.979 0.087 1 1128 1610 103 ILE N N 129.890 0.088 1 1129 1611 104 SER H H 7.883 0.011 1 1130 1611 104 SER HA H 4.970 0.089 1 1131 1611 104 SER HB2 H 3.522 0.093 2 1132 1611 104 SER HB3 H 3.263 0.091 2 1133 1611 104 SER C C 173.150 0.000 1 1134 1611 104 SER CA C 57.958 0.110 1 1135 1611 104 SER CB C 64.774 0.169 1 1136 1611 104 SER N N 121.857 0.152 1 1137 1612 105 PHE H H 9.281 0.009 1 1138 1612 105 PHE HA H 5.089 0.101 1 1139 1612 105 PHE HB2 H 2.105 0.101 2 1140 1612 105 PHE HB3 H 2.552 0.131 2 1141 1612 105 PHE HD1 H 6.309 0.005 3 1142 1612 105 PHE HD2 H 6.309 0.005 3 1143 1612 105 PHE HE1 H 6.050 0.013 3 1144 1612 105 PHE HE2 H 6.050 0.013 3 1145 1612 105 PHE HZ H 6.332 0.012 1 1146 1612 105 PHE C C 175.084 0.000 1 1147 1612 105 PHE CA C 56.495 0.053 1 1148 1612 105 PHE CB C 39.636 0.084 1 1149 1612 105 PHE CE1 C 132.177 0.027 3 1150 1612 105 PHE CE2 C 132.177 0.027 3 1151 1612 105 PHE CZ C 129.072 0.000 1 1152 1612 105 PHE N N 124.591 0.072 1 1153 1613 106 VAL H H 7.998 0.009 1 1154 1613 106 VAL HA H 4.093 0.104 1 1155 1613 106 VAL HB H 0.968 0.097 1 1156 1613 106 VAL HG1 H 0.300 0.085 2 1157 1613 106 VAL HG2 H 0.627 0.157 2 1158 1613 106 VAL C C 176.227 0.000 1 1159 1613 106 VAL CA C 59.918 0.065 1 1160 1613 106 VAL CB C 35.635 0.067 1 1161 1613 106 VAL CG1 C 20.153 0.030 2 1162 1613 106 VAL CG2 C 21.638 0.000 2 1163 1613 106 VAL N N 120.553 0.088 1 1164 1614 107 CYS H H 8.873 0.012 1 1165 1614 107 CYS HA H 4.101 0.104 1 1166 1614 107 CYS HB2 H 2.808 0.121 2 1167 1614 107 CYS HB3 H 2.510 0.117 2 1168 1614 107 CYS C C 175.969 0.000 1 1169 1614 107 CYS CA C 57.282 0.015 1 1170 1614 107 CYS CB C 39.003 0.037 1 1171 1614 107 CYS N N 124.102 0.098 1 1172 1615 108 ARG H H 6.897 0.012 1 1173 1615 108 ARG HA H 4.399 0.003 1 1174 1615 108 ARG HB2 H 1.348 0.010 2 1175 1615 108 ARG HB3 H 1.383 0.030 2 1176 1615 108 ARG HE H 6.978 0.003 1 1177 1615 108 ARG CA C 53.960 0.000 1 1178 1615 108 ARG CB C 33.677 0.177 1 1179 1615 108 ARG CG C 27.770 0.000 1 1180 1615 108 ARG CD C 43.591 0.000 1 1181 1615 108 ARG N N 130.676 0.088 1 1182 1615 108 ARG NE N 84.923 0.000 1 1183 1616 109 PRO HA H 4.051 0.121 1 1184 1616 109 PRO HB2 H 2.379 0.000 2 1185 1616 109 PRO HB3 H 2.069 0.145 2 1186 1616 109 PRO HG2 H 1.840 0.169 2 1187 1616 109 PRO HG3 H 1.795 0.140 2 1188 1616 109 PRO HD2 H 3.599 0.149 2 1189 1616 109 PRO HD3 H 3.552 0.131 2 1190 1616 109 PRO C C 177.718 0.000 1 1191 1616 109 PRO CA C 64.958 0.065 1 1192 1616 109 PRO CB C 32.370 0.025 1 1193 1616 109 PRO CG C 27.538 0.062 1 1194 1616 109 PRO CD C 51.334 0.031 1 1195 1617 110 GLU H H 7.773 0.009 1 1196 1617 110 GLU HA H 4.135 0.138 1 1197 1617 110 GLU HB2 H 1.596 0.182 2 1198 1617 110 GLU HB3 H 1.746 0.000 2 1199 1617 110 GLU HG2 H 2.041 0.125 2 1200 1617 110 GLU HG3 H 2.345 0.000 2 1201 1617 110 GLU C C 176.534 0.000 1 1202 1617 110 GLU CA C 56.276 0.036 1 1203 1617 110 GLU CB C 30.147 0.009 1 1204 1617 110 GLU CG C 35.345 0.024 1 1205 1617 110 GLU N N 117.314 0.076 1 1206 1618 111 ALA H H 8.004 0.006 1 1207 1618 111 ALA HA H 4.002 0.098 1 1208 1618 111 ALA HB H 1.151 0.083 1 1209 1618 111 ALA C C 178.468 0.000 1 1210 1618 111 ALA CA C 52.822 0.036 1 1211 1618 111 ALA CB C 19.644 0.106 1 1212 1618 111 ALA N N 125.281 0.072 1 1213 1619 112 GLY H H 7.819 0.014 1 1214 1619 112 GLY HA2 H 3.959 0.002 2 1215 1619 112 GLY HA3 H 3.813 0.001 2 1216 1619 112 GLY CA C 45.486 0.066 1 1217 1619 112 GLY N N 108.471 0.073 1 1218 1620 113 PRO HA H 4.284 0.120 1 1219 1620 113 PRO HB2 H 2.201 0.149 2 1220 1620 113 PRO HB3 H 2.137 0.153 2 1221 1620 113 PRO HG2 H 1.768 0.114 2 1222 1620 113 PRO HG3 H 1.800 0.148 2 1223 1620 113 PRO HD2 H 3.376 0.120 2 1224 1620 113 PRO HD3 H 3.510 0.138 2 1225 1620 113 PRO C C 178.507 0.000 1 1226 1620 113 PRO CA C 64.388 0.052 1 1227 1620 113 PRO CB C 32.589 0.011 1 1228 1620 113 PRO CG C 27.461 0.081 1 1229 1620 113 PRO CD C 50.405 0.054 1 1230 1621 114 THR H H 7.806 0.016 1 1231 1621 114 THR HA H 4.161 0.131 1 1232 1621 114 THR HB H 3.971 0.164 1 1233 1621 114 THR HG2 H 0.997 0.136 1 1234 1621 114 THR C C 175.572 0.000 1 1235 1621 114 THR CA C 62.403 0.064 1 1236 1621 114 THR CB C 69.487 0.027 1 1237 1621 114 THR CG2 C 22.129 0.000 1 1238 1621 114 THR N N 111.228 0.065 1 1239 1622 115 ASN H H 7.977 0.009 1 1240 1622 115 ASN HA H 4.849 0.129 1 1241 1622 115 ASN HB2 H 3.006 0.112 2 1242 1622 115 ASN HB3 H 2.856 0.106 2 1243 1622 115 ASN HD21 H 6.838 0.010 2 1244 1622 115 ASN HD22 H 7.637 0.004 2 1245 1622 115 ASN C C 174.430 0.000 1 1246 1622 115 ASN CA C 53.288 0.003 1 1247 1622 115 ASN CB C 38.340 0.046 1 1248 1622 115 ASN N N 123.554 0.000 1 1249 1622 115 ASN ND2 N 111.937 0.211 1 1250 1623 116 ARG H H 7.540 0.099 1 1251 1623 116 ARG HA H 3.585 0.006 1 1252 1623 116 ARG HB2 H 1.216 0.006 2 1253 1623 116 ARG HB3 H 1.452 0.006 2 1254 1623 116 ARG HG2 H 1.652 0.000 2 1255 1623 116 ARG HG3 H 1.140 0.000 2 1256 1623 116 ARG HD2 H 2.642 0.000 2 1257 1623 116 ARG HD3 H 2.898 0.005 2 1258 1623 116 ARG HE H 6.832 0.006 1 1259 1623 116 ARG CA C 52.886 0.140 1 1260 1623 116 ARG CB C 31.137 0.159 1 1261 1623 116 ARG CG C 27.297 0.000 1 1262 1623 116 ARG CD C 43.889 0.000 1 1263 1623 116 ARG N N 120.597 0.089 1 1264 1623 116 ARG NE N 84.998 0.000 1 1265 1624 117 PRO HA H 3.785 0.100 1 1266 1624 117 PRO HB2 H 1.684 0.004 2 1267 1624 117 PRO HG2 H 0.967 0.000 2 1268 1624 117 PRO HG3 H 1.440 0.176 2 1269 1624 117 PRO C C 176.615 0.000 1 1270 1624 117 PRO CA C 62.433 0.129 1 1271 1624 117 PRO CB C 31.820 0.000 1 1272 1624 117 PRO CG C 26.603 0.000 1 1273 1624 117 PRO CD C 47.854 0.000 1 1274 1625 118 MET H H 8.264 0.009 1 1275 1625 118 MET HA H 4.620 0.146 1 1276 1625 118 MET HB2 H 2.266 0.163 2 1277 1625 118 MET HB3 H 2.312 0.161 2 1278 1625 118 MET HG2 H 2.344 0.151 2 1279 1625 118 MET HG3 H 2.332 0.183 2 1280 1625 118 MET HE H 1.641 0.180 1 1281 1625 118 MET C C 176.162 0.000 1 1282 1625 118 MET CA C 54.158 0.035 1 1283 1625 118 MET CB C 35.718 0.012 1 1284 1625 118 MET CG C 31.903 0.072 1 1285 1625 118 MET CE C 16.958 0.261 1 1286 1625 118 MET N N 118.166 0.081 1 1287 1626 119 LEU H H 8.798 0.019 1 1288 1626 119 LEU HA H 3.741 0.087 1 1289 1626 119 LEU HB2 H 1.594 0.137 2 1290 1626 119 LEU HB3 H 1.603 0.137 2 1291 1626 119 LEU HG H 0.714 0.145 1 1292 1626 119 LEU HD1 H 0.084 0.098 2 1293 1626 119 LEU HD2 H -0.274 0.080 2 1294 1626 119 LEU C C 176.228 0.000 1 1295 1626 119 LEU CA C 55.610 0.101 1 1296 1626 119 LEU CB C 41.387 0.048 1 1297 1626 119 LEU CG C 27.868 0.000 1 1298 1626 119 LEU CD1 C 25.985 0.055 2 1299 1626 119 LEU CD2 C 23.149 0.033 2 1300 1626 119 LEU N N 126.869 0.086 1 1301 1627 120 ILE H H 8.803 0.009 1 1302 1627 120 ILE HA H 3.858 0.106 1 1303 1627 120 ILE HB H 1.592 0.096 1 1304 1627 120 ILE HG12 H 1.088 0.109 2 1305 1627 120 ILE HG13 H 1.091 0.105 2 1306 1627 120 ILE HG2 H 0.570 0.093 1 1307 1627 120 ILE HD1 H 0.439 0.097 1 1308 1627 120 ILE C C 177.816 0.000 1 1309 1627 120 ILE CA C 61.575 0.028 1 1310 1627 120 ILE CB C 37.849 0.040 1 1311 1627 120 ILE CG1 C 27.108 0.070 1 1312 1627 120 ILE CG2 C 17.728 0.058 1 1313 1627 120 ILE CD1 C 10.909 0.039 1 1314 1627 120 ILE N N 128.550 0.076 1 1315 1628 121 SER H H 7.143 0.009 1 1316 1628 121 SER HA H 4.215 0.109 1 1317 1628 121 SER HB2 H 3.497 0.110 2 1318 1628 121 SER HB3 H 3.480 0.132 2 1319 1628 121 SER C C 171.811 0.000 1 1320 1628 121 SER CA C 58.183 0.036 1 1321 1628 121 SER CB C 65.228 0.069 1 1322 1628 121 SER N N 111.072 0.074 1 1323 1629 122 LEU H H 7.971 0.011 1 1324 1629 122 LEU HA H 4.655 0.102 1 1325 1629 122 LEU HB2 H 1.004 0.108 2 1326 1629 122 LEU HB3 H 1.497 0.104 2 1327 1629 122 LEU HG H 1.241 0.153 1 1328 1629 122 LEU HD1 H 0.382 0.144 2 1329 1629 122 LEU HD2 H 0.512 0.071 2 1330 1629 122 LEU C C 176.157 0.000 1 1331 1629 122 LEU CA C 55.167 0.032 1 1332 1629 122 LEU CB C 44.480 0.074 1 1333 1629 122 LEU CG C 28.987 0.039 1 1334 1629 122 LEU CD1 C 24.807 0.055 2 1335 1629 122 LEU CD2 C 25.082 0.086 2 1336 1629 122 LEU N N 125.002 0.098 1 1337 1630 123 ASP H H 8.932 0.010 1 1338 1630 123 ASP HA H 4.691 0.146 1 1339 1630 123 ASP HB2 H 2.564 0.114 2 1340 1630 123 ASP HB3 H 2.832 0.133 2 1341 1630 123 ASP C C 177.828 0.000 1 1342 1630 123 ASP CA C 53.291 0.001 1 1343 1630 123 ASP CB C 42.231 0.065 1 1344 1630 123 ASP N N 126.366 0.087 1 1345 1631 124 LYS H H 8.648 0.012 1 1346 1631 124 LYS HA H 4.130 0.000 1 1347 1631 124 LYS HB2 H 2.005 0.000 2 1348 1631 124 LYS HB3 H 1.991 0.000 2 1349 1631 124 LYS HG2 H 1.400 0.000 2 1350 1631 124 LYS HG3 H 1.306 0.179 2 1351 1631 124 LYS HD2 H 1.644 0.000 2 1352 1631 124 LYS HD3 H 1.458 0.176 2 1353 1631 124 LYS HE2 H 3.066 0.000 2 1354 1631 124 LYS HE3 H 2.819 0.161 2 1355 1631 124 LYS C C 178.772 0.000 1 1356 1631 124 LYS CA C 59.454 0.022 1 1357 1631 124 LYS CB C 33.014 0.016 1 1358 1631 124 LYS CG C 26.049 0.085 1 1359 1631 124 LYS CD C 29.685 0.000 1 1360 1631 124 LYS CE C 42.568 0.000 1 1361 1631 124 LYS N N 126.965 0.172 1 1362 1632 125 GLN H H 8.119 0.007 1 1363 1632 125 GLN HA H 3.892 0.120 1 1364 1632 125 GLN HB2 H 1.953 0.172 2 1365 1632 125 GLN HB3 H 2.056 0.122 2 1366 1632 125 GLN HG2 H 2.167 0.116 2 1367 1632 125 GLN HG3 H 2.082 0.001 2 1368 1632 125 GLN C C 178.144 0.000 1 1369 1632 125 GLN CA C 58.468 0.040 1 1370 1632 125 GLN CB C 29.010 0.055 1 1371 1632 125 GLN CG C 34.563 0.039 1 1372 1632 125 GLN N N 116.368 0.063 1 1373 1632 125 GLN NE2 N 112.504 0.000 1 1374 1633 126 THR H H 6.827 0.018 1 1375 1633 126 THR HA H 4.146 0.148 1 1376 1633 126 THR HB H 3.792 0.000 1 1377 1633 126 THR HG2 H 0.864 0.120 1 1378 1633 126 THR C C 175.149 0.000 1 1379 1633 126 THR CA C 60.786 0.022 1 1380 1633 126 THR CB C 70.857 0.020 1 1381 1633 126 THR CG2 C 21.161 0.000 1 1382 1633 126 THR N N 103.706 0.051 1 1383 1634 127 CYS H H 7.662 0.012 1 1384 1634 127 CYS HA H 4.004 0.157 1 1385 1634 127 CYS HB2 H 2.810 0.148 2 1386 1634 127 CYS HB3 H 2.414 0.111 2 1387 1634 127 CYS C C 172.990 0.000 1 1388 1634 127 CYS CA C 59.011 0.065 1 1389 1634 127 CYS CB C 40.718 0.028 1 1390 1634 127 CYS N N 117.468 0.110 1 1391 1635 128 THR H H 7.135 0.012 1 1392 1635 128 THR HA H 4.679 0.115 1 1393 1635 128 THR HB H 3.309 0.100 1 1394 1635 128 THR HG2 H -0.021 0.077 1 1395 1635 128 THR C C 173.338 0.000 1 1396 1635 128 THR CA C 62.220 0.080 1 1397 1635 128 THR CB C 70.595 0.097 1 1398 1635 128 THR CG2 C 22.251 0.060 1 1399 1635 128 THR N N 111.368 0.111 1 1400 1636 129 LEU H H 8.819 0.008 1 1401 1636 129 LEU HA H 4.341 0.112 1 1402 1636 129 LEU HB2 H 1.577 0.135 2 1403 1636 129 LEU HB3 H 1.227 0.132 2 1404 1636 129 LEU HG H 0.895 0.135 1 1405 1636 129 LEU HD1 H 0.602 0.096 2 1406 1636 129 LEU HD2 H 0.371 0.093 2 1407 1636 129 LEU C C 174.774 0.000 1 1408 1636 129 LEU CA C 56.656 0.021 1 1409 1636 129 LEU CB C 43.295 0.007 1 1410 1636 129 LEU CG C 27.302 0.000 1 1411 1636 129 LEU CD1 C 25.311 0.000 2 1412 1636 129 LEU CD2 C 25.435 0.000 2 1413 1636 129 LEU N N 129.976 0.069 1 1414 1637 130 PHE H H 8.167 0.010 1 1415 1637 130 PHE HA H 4.777 0.095 1 1416 1637 130 PHE HB2 H 2.576 0.104 2 1417 1637 130 PHE HB3 H 2.655 0.159 2 1418 1637 130 PHE HD1 H 6.625 0.003 3 1419 1637 130 PHE HD2 H 6.625 0.003 3 1420 1637 130 PHE HE1 H 6.901 0.010 3 1421 1637 130 PHE HE2 H 6.901 0.010 3 1422 1637 130 PHE HZ H 6.819 0.006 1 1423 1637 130 PHE C C 175.639 0.000 1 1424 1637 130 PHE CA C 57.661 0.078 1 1425 1637 130 PHE CB C 40.337 0.058 1 1426 1637 130 PHE CD1 C 130.630 0.075 3 1427 1637 130 PHE CD2 C 130.630 0.075 3 1428 1637 130 PHE N N 119.781 0.129 1 1429 1638 131 PHE H H 9.089 0.017 1 1430 1638 131 PHE HA H 5.394 0.100 1 1431 1638 131 PHE HB2 H 2.309 0.115 2 1432 1638 131 PHE HB3 H 2.554 0.128 2 1433 1638 131 PHE HD1 H 6.413 0.024 3 1434 1638 131 PHE HD2 H 6.413 0.024 3 1435 1638 131 PHE HE1 H 6.732 0.006 3 1436 1638 131 PHE HE2 H 6.732 0.006 3 1437 1638 131 PHE HZ H 6.566 0.012 1 1438 1638 131 PHE C C 176.863 0.000 1 1439 1638 131 PHE CA C 55.985 0.072 1 1440 1638 131 PHE CB C 43.516 0.067 1 1441 1638 131 PHE CD1 C 130.970 0.086 3 1442 1638 131 PHE CD2 C 130.970 0.086 3 1443 1638 131 PHE CE1 C 131.488 0.083 3 1444 1638 131 PHE CE2 C 131.488 0.083 3 1445 1638 131 PHE N N 120.502 0.130 1 1446 1639 132 SER H H 8.942 0.011 1 1447 1639 132 SER HA H 5.138 0.110 1 1448 1639 132 SER HB2 H 3.385 0.097 2 1449 1639 132 SER HB3 H 3.359 0.125 2 1450 1639 132 SER C C 174.517 0.000 1 1451 1639 132 SER CA C 57.025 0.037 1 1452 1639 132 SER CB C 66.651 0.095 1 1453 1639 132 SER N N 116.844 0.143 1 1454 1640 133 TRP H H 8.669 0.020 1 1455 1640 133 TRP HA H 4.640 0.136 1 1456 1640 133 TRP HB2 H 2.746 0.133 2 1457 1640 133 TRP HB3 H 2.019 0.133 2 1458 1640 133 TRP HD1 H 6.587 0.034 1 1459 1640 133 TRP HE1 H 9.319 0.016 1 1460 1640 133 TRP HE3 H 6.728 0.005 1 1461 1640 133 TRP HZ2 H 6.510 0.009 1 1462 1640 133 TRP HZ3 H 6.503 0.011 1 1463 1640 133 TRP HH2 H 7.049 0.000 1 1464 1640 133 TRP C C 176.414 0.000 1 1465 1640 133 TRP CA C 55.764 0.071 1 1466 1640 133 TRP CB C 31.899 0.123 1 1467 1640 133 TRP CD1 C 123.345 0.068 1 1468 1640 133 TRP CE3 C 122.111 0.000 1 1469 1640 133 TRP CZ2 C 114.404 0.026 1 1470 1640 133 TRP CZ3 C 121.190 0.154 1 1471 1640 133 TRP CH2 C 122.124 0.000 1 1472 1640 133 TRP N N 129.501 0.181 1 1473 1640 133 TRP NE1 N 127.129 0.064 1 1474 1641 134 HIS H H 9.047 0.008 1 1475 1641 134 HIS HA H 5.189 0.084 1 1476 1641 134 HIS HB2 H 2.702 0.132 2 1477 1641 134 HIS HB3 H 3.050 0.138 2 1478 1641 134 HIS HE1 H 8.256 0.001 1 1479 1641 134 HIS C C 174.154 0.000 1 1480 1641 134 HIS CA C 55.375 0.064 1 1481 1641 134 HIS CB C 28.877 0.075 1 1482 1641 134 HIS CE1 C 136.446 0.000 1 1483 1641 134 HIS N N 127.186 0.063 1 1484 1642 135 THR H H 8.627 0.015 1 1485 1642 135 THR HA H 5.097 0.007 1 1486 1642 135 THR HB H 3.954 0.009 1 1487 1642 135 THR HG2 H 0.703 0.013 1 1488 1642 135 THR CA C 57.030 0.108 1 1489 1642 135 THR CB C 69.594 0.132 1 1490 1642 135 THR CG2 C 20.104 0.008 1 1491 1642 135 THR N N 119.941 0.102 1 1492 1643 136 PRO HA H 4.457 0.117 1 1493 1643 136 PRO HB2 H 1.664 0.000 2 1494 1643 136 PRO HB3 H 2.173 0.005 2 1495 1643 136 PRO HG2 H 1.748 0.035 2 1496 1643 136 PRO HG3 H 1.799 0.016 2 1497 1643 136 PRO HD2 H 3.509 0.006 2 1498 1643 136 PRO HD3 H 3.778 0.007 2 1499 1643 136 PRO C C 180.309 0.000 1 1500 1643 136 PRO CA C 64.994 0.000 1 1501 1643 136 PRO CB C 32.222 0.043 1 1502 1643 136 PRO CG C 27.565 0.000 1 1503 1643 136 PRO CD C 52.816 0.076 1 1504 1644 137 LEU H H 8.106 0.015 1 1505 1644 137 LEU HA H 3.885 0.105 1 1506 1644 137 LEU HB2 H 1.335 0.150 2 1507 1644 137 LEU HB3 H 1.604 0.000 2 1508 1644 137 LEU HG H 1.130 0.156 1 1509 1644 137 LEU HD1 H 0.642 0.136 2 1510 1644 137 LEU HD2 H 0.447 0.111 2 1511 1644 137 LEU C C 177.912 0.000 1 1512 1644 137 LEU CA C 56.764 0.072 1 1513 1644 137 LEU CB C 42.274 0.019 1 1514 1644 137 LEU CG C 25.972 0.000 1 1515 1644 137 LEU CD1 C 22.676 0.000 2 1516 1644 137 LEU CD2 C 22.350 0.000 2 1517 1644 137 LEU N N 118.587 0.118 1 1518 1645 138 ALA H H 6.800 0.017 1 1519 1645 138 ALA HA H 4.214 0.103 1 1520 1645 138 ALA HB H 0.814 0.071 1 1521 1645 138 ALA C C 176.032 0.000 1 1522 1645 138 ALA CA C 51.468 0.042 1 1523 1645 138 ALA CB C 19.231 0.090 1 1524 1645 138 ALA N N 116.599 0.085 1 1525 1646 139 CYS H H 7.280 0.010 1 1526 1646 139 CYS HA H 4.534 0.000 1 1527 1646 139 CYS HB2 H 2.939 0.113 2 1528 1646 139 CYS HB3 H 2.840 0.141 2 1529 1646 139 CYS C C 174.535 0.000 1 1530 1646 139 CYS CA C 54.518 0.003 1 1531 1646 139 CYS CB C 42.732 0.053 1 1532 1646 139 CYS N N 116.864 0.081 1 1533 1647 140 GLU H H 8.696 0.008 1 1534 1647 140 GLU HA H 3.401 0.092 1 1535 1647 140 GLU HB2 H 1.441 0.188 2 1536 1647 140 GLU HB3 H 1.380 0.111 2 1537 1647 140 GLU HG2 H 1.552 0.115 2 1538 1647 140 GLU HG3 H 1.307 0.135 2 1539 1647 140 GLU C C 175.487 0.000 1 1540 1647 140 GLU CA C 56.261 0.071 1 1541 1647 140 GLU CB C 30.389 0.045 1 1542 1647 140 GLU CG C 35.851 0.060 1 1543 1647 140 GLU N N 124.604 0.070 1 1544 1648 141 LEU H H 7.754 0.011 1 1545 1648 141 LEU HA H 4.082 0.120 1 1546 1648 141 LEU HB2 H 1.326 0.134 2 1547 1648 141 LEU HB3 H 1.583 0.000 2 1548 1648 141 LEU HG H 1.329 0.188 1 1549 1648 141 LEU HD1 H 0.659 0.153 2 1550 1648 141 LEU HD2 H 0.703 0.194 2 1551 1648 141 LEU C C 176.956 0.000 1 1552 1648 141 LEU CA C 55.063 0.059 1 1553 1648 141 LEU CB C 42.804 0.038 1 1554 1648 141 LEU CG C 27.270 0.000 1 1555 1648 141 LEU CD1 C 23.660 0.000 2 1556 1648 141 LEU CD2 C 25.269 0.000 2 1557 1648 141 LEU N N 123.942 0.088 1 1558 1649 142 ALA H H 7.675 0.026 1 1559 1649 142 ALA HA H 3.829 0.003 1 1560 1649 142 ALA HB H 1.008 0.004 1 1561 1649 142 ALA CA C 53.640 0.080 1 1562 1649 142 ALA CB C 20.309 0.064 1 1563 1649 142 ALA N N 129.658 0.069 1 stop_ save_ save_heteronuclear_T1_list_1 _Saveframe_category T1_relaxation _Details . loop_ _Sample_label $sample_2 stop_ _Sample_conditions_label $sample_conditions_2 _Spectrometer_frequency_1H 600 _T1_coherence_type Iz;Sz _T1_value_units s-1 _Mol_system_component_name IGF2R _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 1 MET N 0.0000 0.0000 2 2 LYS N 0.0000 0.0000 3 3 SER N 1.4832 0.0076 4 4 ASN N 1.7296 0.0208 5 5 GLU N 1.5426 0.0063 6 6 HIS N 1.6308 0.0198 7 7 ASP N 1.3617 0.0203 8 8 ASP N 0.0000 0.0000 9 9 CYS N 0.0000 0.0000 10 10 GLN N 1.4342 0.0219 11 11 VAL N 1.3862 0.0143 12 12 THR N 1.3831 0.0190 13 13 ASN N 1.4101 0.0187 14 14 PRO N 0.0000 0.0000 15 15 SER N 1.2752 0.0106 16 16 THR N 1.2388 0.0144 17 17 GLY N 1.3642 0.0163 18 18 HIS N 1.5524 0.0135 19 19 LEU N 1.2982 0.0124 20 20 PHE N 1.3675 0.0187 21 21 ASP N 1.2914 0.0124 22 22 LEU N 1.3542 0.0204 23 23 SER N 1.4176 0.0135 24 24 SER N 1.6133 0.0149 25 25 LEU N 1.4797 0.0122 26 26 SER N 1.3575 0.0111 27 27 GLY N 1.4264 0.0180 28 28 ARG N 1.4642 0.0179 29 29 ALA N 0.0000 0.0000 30 30 GLY N 1.3096 0.0188 31 31 PHE N 1.4420 0.0292 32 32 THR N 0.0000 0.0000 33 33 ALA N 1.4368 0.0123 34 34 ALA N 1.2952 0.0142 35 35 TYR N 1.4028 0.0144 36 36 ALA N 1.4979 0.0199 37 37 LYS N 0.0000 0.0000 38 38 GLY N 1.5319 0.0232 39 39 TRP N 0.0000 0.0000 40 40 GLY N 1.4410 0.0151 41 41 VAL N 1.3323 0.0197 42 42 TYR N 1.3376 0.0180 43 43 MET N 1.4371 0.0184 44 44 SER N 1.4042 0.0207 45 45 ILE N 1.4411 0.0395 46 46 CYS N 1.4171 0.0245 47 47 GLY N 1.4277 0.0170 48 48 GLU N 1.2950 0.0122 49 49 ASN N 1.4116 0.0166 50 50 GLU N 1.4039 0.0196 51 51 ASN N 1.3985 0.0156 52 52 CYS N 1.2712 0.0133 53 53 PRO N 0.0000 0.0000 54 54 PRO N 0.0000 0.0000 55 55 GLY N 1.3066 0.0218 56 56 VAL N 1.4109 0.0119 57 57 GLY N 1.4581 0.0288 58 58 ALA N 1.3945 0.0138 59 59 CYS N 1.3598 0.0158 60 60 PHE N 1.3805 0.0148 61 61 GLY N 1.3924 0.0252 62 62 GLN N 1.4765 0.0230 63 63 THR N 0.0000 0.0000 64 64 ARG N 1.5523 0.0228 65 65 ILE N 1.3866 0.0288 66 66 SER N 1.3890 0.0169 67 67 VAL N 1.4320 0.0266 68 68 GLY N 1.3509 0.0162 69 69 LYS N 0.0000 0.0000 70 70 ALA N 1.3608 0.0147 71 71 ASN N 1.3559 0.0147 72 72 LYS N 1.3004 0.0080 73 73 ARG N 1.3004 0.0120 74 74 LEU N 1.3247 0.0167 75 75 ARG N 1.3559 0.0168 76 76 TYR N 1.3532 0.0136 77 77 VAL N 1.3999 0.0132 78 78 ASP N 1.4899 0.0152 79 79 GLN N 1.3664 0.0272 80 80 VAL N 1.4586 0.0116 81 81 LEU N 1.4748 0.0146 82 82 GLN N 1.3091 0.0163 83 83 LEU N 1.3182 0.0202 84 84 VAL N 1.3346 0.0174 85 85 TYR N 1.3508 0.0188 86 86 LYS N 1.3317 0.0168 87 87 ASP N 1.4008 0.0157 88 88 GLY N 1.4180 0.0184 89 89 SER N 1.3333 0.0208 90 90 PRO N 0.0000 0.0000 91 91 CYS N 0.0000 0.0000 92 92 PRO N 0.0000 0.0000 93 93 SER N 1.3345 0.0115 94 94 LYS N 0.0000 0.0000 95 95 SER N 1.3227 0.0126 96 96 GLY N 1.3048 0.0196 97 97 LEU N 1.2632 0.0116 98 98 SER N 1.2897 0.0078 99 99 TYR N 1.5088 0.0086 100 100 LYS N 1.4084 0.0156 101 101 SER N 0.0000 0.0000 102 102 VAL N 1.2817 0.0192 103 103 ILE N 1.4065 0.0194 104 104 SER N 1.3457 0.0176 105 105 PHE N 1.3764 0.0253 106 106 VAL N 0.0000 0.0000 107 107 CYS N 1.3555 0.0152 108 108 ARG N 1.4590 0.0220 109 109 PRO N 0.0000 0.0000 110 110 GLU N 0.0000 0.0000 111 111 ALA N 1.2783 0.0345 112 112 GLY N 1.3250 0.0087 113 113 PRO N 0.0000 0.0000 114 114 THR N 1.5672 0.0131 115 115 ASN N 1.6020 0.0154 116 116 ARG N 0.0000 0.0000 117 117 PRO N 0.0000 0.0000 118 118 MET N 0.0000 0.0000 119 119 LEU N 1.3928 0.0213 120 120 ILE N 1.4316 0.0325 121 121 SER N 0.0000 0.0000 122 122 LEU N 1.3039 0.0128 123 123 ASP N 1.3680 0.0161 124 124 LYS N 1.3444 0.0088 125 125 GLN N 1.3039 0.0095 126 126 THR N 1.3941 0.0246 127 127 CYS N 1.4313 0.0137 128 128 THR N 0.0000 0.0000 129 129 LEU N 1.4125 0.0202 130 130 PHE N 1.2630 0.0182 131 131 PHE N 1.4179 0.0225 132 132 SER N 0.0000 0.0000 133 133 TRP N 1.3901 0.0214 134 134 HIS N 0.0000 0.0000 135 135 THR N 1.4121 0.0199 136 136 PRO N 0.0000 0.0000 137 137 LEU N 1.4090 0.0172 138 138 ALA N 1.3719 0.0162 139 139 CYS N 1.4439 0.0116 140 140 GLU N 1.3122 0.0113 141 141 LEU N 1.4339 0.0049 142 142 ALA N 0.8749 0.0019 stop_ save_ save_heteronuclear_list_T1_2 _Saveframe_category T1_relaxation _Details . loop_ _Sample_label $sample_2 stop_ _Sample_conditions_label $sample_conditions_2 _Spectrometer_frequency_1H 900 _T1_coherence_type Iz;Sz _T1_value_units s-1 _Mol_system_component_name IGF2R _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 1 MET N 0.0000 0.0000 2 2 LYS N 0.0000 0.0000 3 3 SER N 1.1910 0.0099 4 4 ASN N 1.2144 0.0187 5 5 GLU N 1.1989 0.0085 6 6 HIS N 1.1887 0.0430 7 7 ASP N 0.8361 0.0218 8 8 ASP N 0.0000 0.0000 9 9 CYS N 0.0000 0.0000 10 10 GLN N 0.8465 0.0290 11 11 VAL N 0.9047 0.0217 12 12 THR N 0.8500 0.0206 13 13 ASN N 0.8913 0.0222 14 14 PRO N 0.0000 0.0000 15 15 SER N 0.8224 0.0116 16 16 THR N 0.7357 0.0116 17 17 GLY N 0.8317 0.0164 18 18 HIS N 0.9906 0.0132 19 19 LEU N 0.8063 0.0133 20 20 PHE N 0.8643 0.0225 21 21 ASP N 0.7981 0.0118 22 22 LEU N 0.8424 0.0239 23 23 SER N 0.8720 0.0160 24 24 SER N 0.9455 0.0154 25 25 LEU N 0.9253 0.0147 26 26 SER N 0.8038 0.0117 27 27 GLY N 0.8428 0.0206 28 28 ARG N 0.8986 0.0194 29 29 ALA N 0.0000 0.0000 30 30 GLY N 0.7912 0.0181 31 31 PHE N 0.8371 0.0282 32 32 THR N 0.0000 0.0000 33 33 ALA N 0.9261 0.0135 34 34 ALA N 0.8702 0.0184 35 35 TYR N 0.9575 0.0218 36 36 ALA N 0.9378 0.0346 37 37 LYS N 0.0000 0.0000 38 38 GLY N 1.0013 0.0391 39 39 TRP N 0.0000 0.0000 40 40 GLY N 0.9977 0.0186 41 41 VAL N 0.8361 0.0227 42 42 TYR N 0.8462 0.0197 43 43 MET N 0.8895 0.0195 44 44 SER N 0.8435 0.0224 45 45 ILE N 0.7561 0.0455 46 46 CYS N 0.8885 0.0246 47 47 GLY N 0.9060 0.0116 48 48 GLU N 0.8393 0.0122 49 49 ASN N 0.8981 0.0170 50 50 GLU N 0.8319 0.0207 51 51 ASN N 0.8588 0.0163 52 52 CYS N 0.7880 0.0126 53 53 PRO N 0.0000 0.0000 54 54 PRO N 0.0000 0.0000 55 55 GLY N 0.8088 0.0207 56 56 VAL N 0.9207 0.0119 57 57 GLY N 0.9149 0.0251 58 58 ALA N 0.9106 0.0107 59 59 CYS N 0.8643 0.0173 60 60 PHE N 0.9037 0.0159 61 61 GLY N 0.8437 0.0345 62 62 GLN N 0.9310 0.0313 63 63 THR N 0.0000 0.0000 64 64 ARG N 0.9945 0.0259 65 65 ILE N 0.8055 0.0385 66 66 SER N 0.8665 0.0186 67 67 VAL N 0.8818 0.0280 68 68 GLY N 0.8634 0.0166 69 69 LYS N 0.0000 0.0000 70 70 ALA N 0.8433 0.0154 71 71 ASN N 0.8890 0.0127 72 72 LYS N 0.8056 0.0083 73 73 ARG N 0.8297 0.0151 74 74 LEU N 0.8288 0.0242 75 75 ARG N 0.8441 0.0198 76 76 TYR N 0.8702 0.0171 77 77 VAL N 0.8878 0.0169 78 78 ASP N 0.9866 0.0223 79 79 GLN N 0.8951 0.0278 80 80 VAL N 0.9923 0.0135 81 81 LEU N 0.9911 0.0212 82 82 GLN N 0.8387 0.0188 83 83 LEU N 0.8671 0.0249 84 84 VAL N 0.7806 0.0224 85 85 TYR N 0.8414 0.0239 86 86 LYS N 0.8030 0.0188 87 87 ASP N 0.8628 0.0161 88 88 GLY N 0.9291 0.0164 89 89 SER N 0.8228 0.0219 90 90 PRO N 0.0000 0.0000 91 91 CYS N 0.0000 0.0000 92 92 PRO N 0.0000 0.0000 93 93 SER N 0.8420 0.0132 94 94 LYS N 0.0000 0.0000 95 95 SER N 0.8359 0.0177 96 96 GLY N 0.7991 0.0247 97 97 LEU N 0.8438 0.0123 98 98 SER N 0.9199 0.0139 99 99 TYR N 0.8884 0.0153 100 100 LYS N 0.8779 0.0163 101 101 SER N 0.0000 0.0000 102 102 VAL N 0.8039 0.0212 103 103 ILE N 0.8901 0.0265 104 104 SER N 0.8248 0.0206 105 105 PHE N 0.8862 0.0385 106 106 VAL N 0.0000 0.0000 107 107 CYS N 0.8608 0.0183 108 108 ARG N 0.9239 0.0330 109 109 PRO N 0.0000 0.0000 110 110 GLU N 0.0000 0.0000 111 111 ALA N 1.0096 0.0513 112 112 GLY N 1.0050 0.0107 113 113 PRO N 0.0000 0.0000 114 114 THR N 1.0845 0.0176 115 115 ASN N 1.0930 0.0242 116 116 ARG N 0.0000 0.0000 117 117 PRO N 0.0000 0.0000 118 118 MET N 0.0000 0.0000 119 119 LEU N 0.8578 0.0328 120 120 ILE N 0.8619 0.0443 121 121 SER N 0.0000 0.0000 122 122 LEU N 0.8046 0.0154 123 123 ASP N 0.8697 0.0227 124 124 LYS N 0.8174 0.0157 125 125 GLN N 0.8614 0.0107 126 126 THR N 0.8215 0.0209 127 127 CYS N 0.9269 0.0179 128 128 THR N 0.0000 0.0000 129 129 LEU N 0.8972 0.0272 130 130 PHE N 0.8010 0.0163 131 131 PHE N 0.8434 0.0275 132 132 SER N 0.0000 0.0000 133 133 TRP N 0.8888 0.0300 134 134 HIS N 0.0000 0.0000 135 135 THR N 0.9084 0.0211 136 136 PRO N 0.0000 0.0000 137 137 LEU N 0.8564 0.0201 138 138 ALA N 0.8722 0.0183 139 139 CYS N 0.8884 0.0119 140 140 GLU N 0.8202 0.0130 141 141 LEU N 1.2104 0.0079 142 142 ALA N 0.8473 0.0031 stop_ save_ save_heteronuclear_T2_list_1 _Saveframe_category T2_relaxation _Details . loop_ _Sample_label $sample_2 stop_ _Sample_conditions_label $sample_conditions_2 _Spectrometer_frequency_1H 600 _T2_coherence_type I(+,-)S(+,-) _T2_value_units s-1 _Mol_system_component_name IGF2R _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 1 MET N 0.0000 0.0000 . . 2 2 LYS N 0.0000 0.0000 . . 3 3 SER N 3.9528 0.0399 . . 4 4 ASN N 10.2385 0.2036 . . 5 5 GLU N 6.2976 0.0392 . . 6 6 HIS N 16.0326 0.5322 . . 7 7 ASP N 12.6726 0.2763 . . 8 8 ASP N 0.0000 0.0000 . . 9 9 CYS N 0.0000 0.0000 . . 10 10 GLN N 14.2917 0.3421 . . 11 11 VAL N 15.2966 0.2742 . . 12 12 THR N 13.0579 0.2740 . . 13 13 ASN N 10.8147 0.2087 . . 14 14 PRO N 0.0000 0.0000 . . 15 15 SER N 11.1477 0.1326 . . 16 16 THR N 11.4100 0.1832 . . 17 17 GLY N 12.0587 0.1990 . . 18 18 HIS N 11.5045 0.1519 . . 19 19 LEU N 11.6629 0.1661 . . 20 20 PHE N 11.4800 0.2175 . . 21 21 ASP N 10.7288 0.1435 . . 22 22 LEU N 10.9077 0.2444 . . 23 23 SER N 12.4665 0.1837 . . 24 24 SER N 12.8609 0.1990 . . 25 25 LEU N 12.5780 0.1624 . . 26 26 SER N 12.2770 0.1509 . . 27 27 GLY N 10.7159 0.2062 . . 28 28 ARG N 12.0411 0.2363 . . 29 29 ALA N 0.0000 0.0000 . . 30 30 GLY N 11.8498 0.2370 . . 31 31 PHE N 13.5749 0.4065 . . 32 32 THR N 0.0000 0.0000 . . 33 33 ALA N 10.4713 0.1552 . . 34 34 ALA N 11.3519 0.1788 . . 35 35 TYR N 10.2748 0.1616 . . 36 36 ALA N 13.3397 0.2762 . . 37 37 LYS N 0.0000 0.0000 . . 38 38 GLY N 11.2801 0.2693 . . 39 39 TRP N 0.0000 0.0000 . . 40 40 GLY N 10.9942 0.1656 . . 41 41 VAL N 13.1488 0.2963 . . 42 42 TYR N 12.1963 0.2188 . . 43 43 MET N 12.4609 0.2349 . . 44 44 SER N 12.9168 0.2691 . . 45 45 ILE N 11.4314 0.4356 . . 46 46 CYS N 12.4703 0.3095 . . 47 47 GLY N 11.6846 0.2132 . . 48 48 GLU N 10.2108 0.1236 . . 49 49 ASN N 12.2824 0.2136 . . 50 50 GLU N 13.1287 0.3259 . . 51 51 ASN N 12.0146 0.1898 . . 52 52 CYS N 12.6141 0.1787 . . 53 53 PRO N 0.0000 0.0000 . . 54 54 PRO N 0.0000 0.0000 . . 55 55 GLY N 10.9813 0.2422 . . 56 56 VAL N 11.8606 0.1386 . . 57 57 GLY N 11.2448 0.3075 . . 58 58 ALA N 12.2060 0.1772 . . 59 59 CYS N 12.0844 0.1962 . . 60 60 PHE N 12.0738 0.1903 . . 61 61 GLY N 15.7918 0.4682 . . 62 62 GLN N 14.4246 0.3753 . . 63 63 THR N 0.0000 0.0000 . . 64 64 ARG N 13.3330 0.3134 . . 65 65 ILE N 14.0719 0.4528 . . 66 66 SER N 12.5436 0.2418 . . 67 67 VAL N 13.0691 0.3746 . . 68 68 GLY N 13.3563 0.2509 . . 69 69 LYS N 0.0000 0.0000 . . 70 70 ALA N 11.7519 0.1814 . . 71 71 ASN N 11.1001 0.1541 . . 72 72 LYS N 11.2056 0.0989 . . 73 73 ARG N 11.0949 0.1575 . . 74 74 LEU N 11.7633 0.2378 . . 75 75 ARG N 12.7151 0.2277 . . 76 76 TYR N 10.6522 0.1551 . . 77 77 VAL N 11.8118 0.1731 . . 78 78 ASP N 11.6054 0.1814 . . 79 79 GLN N 10.4060 0.3188 . . 80 80 VAL N 12.3065 0.1417 . . 81 81 LEU N 9.2012 0.1342 . . 82 82 GLN N 13.1566 0.2507 . . 83 83 LEU N 11.9871 0.2620 . . 84 84 VAL N 11.3651 0.2451 . . 85 85 TYR N 11.3038 0.2218 . . 86 86 LYS N 11.7392 0.2157 . . 87 87 ASP N 10.5227 0.1810 . . 88 88 GLY N 11.0604 0.2152 . . 89 89 SER N 11.7798 0.2658 . . 90 90 PRO N 0.0000 0.0000 . . 91 91 CYS N 0.0000 0.0000 . . 92 92 PRO N 0.0000 0.0000 . . 93 93 SER N 12.1367 0.1553 . . 94 94 LYS N 0.0000 0.0000 . . 95 95 SER N 19.6608 0.4038 . . 96 96 GLY N 10.5527 0.2231 . . 97 97 LEU N 16.6309 0.2619 . . 98 98 SER N 10.1262 0.0923 . . 99 99 TYR N 10.4272 0.1001 . . 100 100 LYS N 11.1444 0.1835 . . 101 101 SER N 0.0000 0.0000 . . 102 102 VAL N 11.5282 0.2393 . . 103 103 ILE N 12.1605 0.2433 . . 104 104 SER N 10.5851 0.1790 . . 105 105 PHE N 11.4870 0.3038 . . 106 106 VAL N 0.0000 0.0000 . . 107 107 CYS N 11.4105 0.1885 . . 108 108 ARG N 13.0033 0.3081 . . 109 109 PRO N 0.0000 0.0000 . . 110 110 GLU N 0.0000 0.0000 . . 111 111 ALA N 4.0299 0.2190 . . 112 112 GLY N 7.6729 0.0681 . . 113 113 PRO N 0.0000 0.0000 . . 114 114 THR N 11.5865 0.1558 . . 115 115 ASN N 9.6273 0.1413 . . 116 116 ARG N 0.0000 0.0000 . . 117 117 PRO N 0.0000 0.0000 . . 118 118 MET N 0.0000 0.0000 . . 119 119 LEU N 11.6494 0.2582 . . 120 120 ILE N 14.0683 0.5046 . . 121 121 SER N 0.0000 0.0000 . . 122 122 LEU N 12.1686 0.1846 . . 123 123 ASP N 13.1594 0.2249 . . 124 124 LYS N 11.6738 0.1157 . . 125 125 GLN N 11.0345 0.1217 . . 126 126 THR N 14.3486 0.4769 . . 127 127 CYS N 12.1996 0.1775 . . 128 128 THR N 0.0000 0.0000 . . 129 129 LEU N 11.7343 0.2638 . . 130 130 PHE N 13.1218 0.2628 . . 131 131 PHE N 12.6299 0.2870 . . 132 132 SER N 0.0000 0.0000 . . 133 133 TRP N 12.0152 0.2738 . . 134 134 HIS N 0.0000 0.0000 . . 135 135 THR N 12.8913 0.2773 . . 136 136 PRO N 0.0000 0.0000 . . 137 137 LEU N 12.7011 0.2483 . . 138 138 ALA N 9.1814 0.1642 . . 139 139 CYS N 11.3204 0.1257 . . 140 140 GLU N 9.7585 0.1178 . . 141 141 LEU N 4.4931 0.0280 . . 142 142 ALA N 2.6412 0.0126 . . stop_ save_ save_heteronuclear_T2_list_2 _Saveframe_category T2_relaxation _Details . loop_ _Sample_label $sample_2 stop_ _Sample_conditions_label $sample_conditions_2 _Spectrometer_frequency_1H 900 _T2_coherence_type I(+,-),S(+,-) _T2_value_units s-1 _Mol_system_component_name IGF2R _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 1 MET N 0.0000 0.0000 . . 2 2 LYS N 0.0000 0.0000 . . 3 3 SER N 4.9547 0.0775 . . 4 4 ASN N 9.5787 0.1962 . . 5 5 GLU N 6.6375 0.0792 . . 6 6 HIS N 26.5404 2.3173 . . 7 7 ASP N 14.5677 0.6092 . . 8 8 ASP N 0.0000 0.0000 . . 9 9 CYS N 0.0000 0.0000 . . 10 10 GLN N 19.1046 1.1499 . . 11 11 VAL N 30.9358 1.9748 . . 12 12 THR N 16.6713 0.8202 . . 13 13 ASN N 14.1864 0.5091 . . 14 14 PRO N 0.0000 0.0000 . . 15 15 SER N 12.8789 0.2822 . . 16 16 THR N 13.2603 0.3304 . . 17 17 GLY N 14.7349 0.4476 . . 18 18 HIS N 14.1669 0.3239 . . 19 19 LEU N 14.8104 0.3757 . . 20 20 PHE N 13.2543 0.6117 . . 21 21 ASP N 11.7199 0.2604 . . 22 22 LEU N 12.2984 0.5989 . . 23 23 SER N 17.4836 0.6178 . . 24 24 SER N 15.5388 0.4584 . . 25 25 LEU N 13.7947 0.3386 . . 26 26 SER N 15.2373 0.4185 . . 27 27 GLY N 12.8465 0.4994 . . 28 28 ARG N 15.2538 0.5542 . . 29 29 ALA N 0.0000 0.0000 . . 30 30 GLY N 17.1820 0.6891 . . 31 31 PHE N 14.5616 0.7589 . . 32 32 THR N 0.0000 0.0000 . . 33 33 ALA N 13.1241 0.3287 . . 34 34 ALA N 15.6970 0.5513 . . 35 35 TYR N 8.2749 0.3465 . . 36 36 ALA N 14.5286 1.0729 . . 37 37 LYS N 0.0000 0.0000 . . 38 38 GLY N 10.8902 0.6415 . . 39 39 TRP N 0.0000 0.0000 . . 40 40 GLY N 15.3231 0.4533 . . 41 41 VAL N 14.3674 0.6412 . . 42 42 TYR N 14.6221 0.6509 . . 43 43 MET N 16.3059 0.6769 . . 44 44 SER N 15.0199 0.6659 . . 45 45 ILE N 10.0314 0.8321 . . 46 46 CYS N 12.5648 0.6433 . . 47 47 GLY N 15.9581 0.4069 . . 48 48 GLU N 14.4706 0.3287 . . 49 49 ASN N 16.8669 0.5818 . . 50 50 GLU N 13.8845 0.6167 . . 51 51 ASN N 15.8561 0.5532 . . 52 52 CYS N 16.6351 0.4480 . . 53 53 PRO N 0.0000 0.0000 . . 54 54 PRO N 0.0000 0.0000 . . 55 55 GLY N 12.3566 0.4699 . . 56 56 VAL N 15.5146 0.3337 . . 57 57 GLY N 12.6752 0.6005 . . 58 58 ALA N 14.0689 0.2674 . . 59 59 CYS N 14.6043 0.4867 . . 60 60 PHE N 13.6399 0.5076 . . 61 61 GLY N 21.0487 1.7974 . . 62 62 GLN N 16.9523 1.0530 . . 63 63 THR N 0.0000 0.0000 . . 64 64 ARG N 14.4182 0.7215 . . 65 65 ILE N 15.7890 1.1584 . . 66 66 SER N 13.9189 0.4463 . . 67 67 VAL N 13.8637 0.6682 . . 68 68 GLY N 14.8225 0.4910 . . 69 69 LYS N 0.0000 0.0000 . . 70 70 ALA N 16.0636 0.4552 . . 71 71 ASN N 13.0083 0.2946 . . 72 72 LYS N 14.8786 0.2570 . . 73 73 ARG N 17.5498 0.6600 . . 74 74 LEU N 13.4376 0.6259 . . 75 75 ARG N 15.6927 0.6569 . . 76 76 TYR N 13.7212 0.4181 . . 77 77 VAL N 15.3657 0.4572 . . 78 78 ASP N 14.4005 0.6191 . . 79 79 GLN N 12.5629 0.6130 . . 80 80 VAL N 15.0446 0.3412 . . 81 81 LEU N 12.6202 0.4660 . . 82 82 GLN N 14.6277 0.5747 . . 83 83 LEU N 16.7254 0.8181 . . 84 84 VAL N 12.5547 0.7068 . . 85 85 TYR N 12.9874 0.4995 . . 86 86 LYS N 12.8903 0.5392 . . 87 87 ASP N 13.4234 0.4258 . . 88 88 GLY N 12.7933 0.3740 . . 89 89 SER N 13.9265 0.6765 . . 90 90 PRO N 0.0000 0.0000 . . 91 91 CYS N 0.0000 0.0000 . . 92 92 PRO N 0.0000 0.0000 . . 93 93 SER N 15.0132 0.4411 . . 94 94 LYS N 0.0000 0.0000 . . 95 95 SER N 34.7634 2.2630 . . 96 96 GLY N 13.1315 0.6642 . . 97 97 LEU N 22.8883 0.7712 . . 98 98 SER N 12.5582 0.2809 . . 99 99 TYR N 14.3672 0.4140 . . 100 100 LYS N 15.0523 0.4842 . . 101 101 SER N 0.0000 0.0000 . . 102 102 VAL N 14.2218 0.5754 . . 103 103 ILE N 13.2247 0.6623 . . 104 104 SER N 12.3578 0.4587 . . 105 105 PHE N 13.8467 0.9150 . . 106 106 VAL N 0.0000 0.0000 . . 107 107 CYS N 15.2385 0.4893 . . 108 108 ARG N 10.7250 0.7822 . . 109 109 PRO N 0.0000 0.0000 . . 110 110 GLU N 0.0000 0.0000 . . 111 111 ALA N 4.2029 0.4668 . . 112 112 GLY N 9.2424 0.1358 . . 113 113 PRO N 0.0000 0.0000 . . 114 114 THR N 14.2795 0.3938 . . 115 115 ASN N 13.2139 0.4714 . . 116 116 ARG N 0.0000 0.0000 . . 117 117 PRO N 0.0000 0.0000 . . 118 118 MET N 0.0000 0.0000 . . 119 119 LEU N 14.7000 0.9984 . . 120 120 ILE N 15.9075 1.3347 . . 121 121 SER N 0.0000 0.0000 . . 122 122 LEU N 18.1185 0.6142 . . 123 123 ASP N 17.3778 0.8787 . . 124 124 LYS N 15.2492 0.5618 . . 125 125 GLN N 15.1686 0.2958 . . 126 126 THR N 11.8136 0.4131 . . 127 127 CYS N 17.1289 0.5930 . . 128 128 THR N 0.0000 0.0000 . . 129 129 LEU N 13.0137 0.5911 . . 130 130 PHE N 14.6639 0.4696 . . 131 131 PHE N 12.5293 0.6752 . . 132 132 SER N 0.0000 0.0000 . . 133 133 TRP N 13.6062 0.6992 . . 134 134 HIS N 0.0000 0.0000 . . 135 135 THR N 14.1976 0.4877 . . 136 136 PRO N 0.0000 0.0000 . . 137 137 LEU N 14.6983 0.5975 . . 138 138 ALA N 14.1124 0.4738 . . 139 139 CYS N 14.6331 0.3199 . . 140 140 GLU N 13.8098 0.2910 . . 141 141 LEU N 6.4817 0.0631 . . 142 142 ALA N 2.3053 0.0245 . . stop_ save_ save_heteronuclear_noe_list_1 _Saveframe_category heteronuclear_NOE _Details . loop_ _Experiment_label 'Heteronuclear NOE ratio' stop_ loop_ _Sample_label $sample_2 stop_ _Sample_conditions_label $sample_conditions_2 _Spectrometer_frequency_1H 600 _Mol_system_component_name IGF2R _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 1 MET 0.0000 0.0000 2 LYS 0.0000 0.0000 3 SER 0.2117 0.0106 4 ASN 0.3962 0.0163 5 GLU 0.4016 0.0102 6 HIS 0.5627 0.0357 7 ASP 0.8543 0.0339 8 ASP 0.0000 0.0000 9 CYS 0.0000 0.0000 10 GLN 0.7673 0.0351 11 VAL 0.8257 0.0288 12 THR 0.8120 0.0289 13 ASN 0.7982 0.0284 15 SER 0.7485 0.0177 16 THR 0.7764 0.0190 17 GLY 0.8175 0.0228 18 HIS 0.8333 0.0150 19 LEU 0.7978 0.0174 20 PHE 0.8538 0.0245 21 ASP 0.7517 0.0209 22 LEU 0.8177 0.0333 23 SER 0.8671 0.0224 24 SER 0.8895 0.0189 25 LEU 0.8492 0.0178 26 SER 0.8626 0.0176 27 GLY 0.8123 0.0256 28 ARG 0.8633 0.0230 29 ALA 0.0000 0.0000 30 GLY 0.8594 0.0250 31 PHE 0.9042 0.0333 32 THR 0.0000 0.0000 33 ALA 0.7857 0.0147 34 ALA 0.7914 0.0294 35 TYR 0.6719 0.0255 36 ALA 0.6217 0.0297 37 LYS 0.0000 0.0000 38 GLY 0.6542 0.0328 39 TRP 0.0000 0.0000 40 GLY 0.6496 0.0238 41 VAL 0.8272 0.0360 42 TYR 0.9123 0.0288 43 MET 0.8092 0.0262 44 SER 0.8802 0.0305 45 ILE 0.7484 0.0497 46 CYS 0.8706 0.0295 47 GLY 0.8249 0.0177 48 GLU 0.8495 0.0171 49 ASN 0.8707 0.0219 50 GLU 0.8800 0.0215 51 ASN 0.7737 0.0223 52 CYS 0.8132 0.0171 55 GLY 0.8455 0.0258 56 VAL 0.8436 0.0177 57 GLY 0.9017 0.0365 58 ALA 0.8571 0.0169 59 CYS 0.8936 0.0231 60 PHE 0.7985 0.0231 61 GLY 0.8236 0.0416 62 GLN 0.7763 0.0319 63 THR 0.0000 0.0000 64 ARG 0.6604 0.0201 65 ILE 0.7991 0.0441 66 SER 0.7975 0.0262 67 VAL 0.9034 0.0347 68 GLY 0.8355 0.0208 69 LYS 0.0000 0.0000 70 ALA 0.8485 0.0193 71 ASN 0.8377 0.0205 72 LYS 0.8267 0.0140 73 ARG 0.8226 0.0253 74 LEU 0.7932 0.0387 75 ARG 0.8780 0.0296 76 TYR 0.8500 0.0265 77 VAL 0.8015 0.0237 78 ASP 0.8678 0.0265 79 GLN 0.7276 0.0367 80 VAL 0.8239 0.0197 81 LEU 0.7358 0.0244 82 GLN 0.8713 0.0298 83 LEU 0.8167 0.0306 84 VAL 0.8485 0.0319 85 TYR 0.8411 0.0283 86 LYS 0.8889 0.0277 87 ASP 0.8473 0.0242 88 GLY 0.8912 0.0221 89 SER 0.8463 0.0325 91 CYS 0.0000 0.0000 93 SER 0.6890 0.0179 94 LYS 0.0000 0.0000 95 SER 0.6485 0.0215 96 GLY 0.6944 0.0330 97 LEU 0.7651 0.0183 98 SER 0.6438 0.0199 99 TYR 0.8027 0.0211 100 LYS 0.8148 0.0231 101 SER 0.0000 0.0000 102 VAL 0.8560 0.0275 103 ILE 0.8464 0.0283 104 SER 0.7963 0.0284 105 PHE 0.8178 0.0479 106 VAL 0.0000 0.0000 107 CYS 0.8346 0.0237 108 ARG 0.8224 0.0395 110 GLU 0.0000 0.0000 111 ALA 0.5842 0.0595 112 GLY 0.5519 0.0150 114 THR 0.6792 0.0184 115 ASN 0.6968 0.0235 116 ARG 0.0000 0.0000 118 MET 0.0000 0.0000 119 LEU 0.8554 0.0444 120 ILE 0.7234 0.0397 121 SER 0.0000 0.0000 122 LEU 0.7704 0.0226 123 ASP 0.7949 0.0262 124 LYS 0.8030 0.0157 125 GLN 0.6932 0.0167 126 THR 0.7848 0.0293 127 CYS 0.8378 0.0214 128 THR 0.0000 0.0000 129 LEU 0.8832 0.0326 130 PHE 0.8387 0.0266 131 PHE 0.8811 0.0373 132 SER 0.0000 0.0000 133 TRP 0.9133 0.0390 134 HIS 0.0000 0.0000 135 THR 0.8898 0.0275 137 LEU 0.8197 0.0257 138 ALA 0.8452 0.0305 139 CYS 0.8466 0.0168 140 GLU 0.7914 0.0189 141 LEU 0.3986 0.0089 142 ALA 0.0467 0.0053 stop_ save_ save_Heteronuclear_noe_list_2 _Saveframe_category heteronuclear_NOE _Details . loop_ _Experiment_label 'Heteronuclear NOE ratio' stop_ loop_ _Sample_label $sample_2 stop_ _Sample_conditions_label $sample_conditions_2 _Spectrometer_frequency_1H 900 _Mol_system_component_name IGF2R _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.' _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 1 MET 0.0000 0.0000 2 LYS 0.0000 0.0000 3 SER -0.1560 0.0067 4 ASN 0.1464 0.0124 5 GLU 0.2074 0.0064 6 HIS 0.3354 0.0145 7 ASP 0.7337 0.0217 8 ASP 0.0000 0.0000 9 CYS 0.0000 0.0000 10 GLN 0.7958 0.0234 11 VAL 0.7448 0.0142 12 THR 0.8029 0.0217 13 ASN 0.7655 0.0191 15 SER 0.7265 0.0126 16 THR 0.7332 0.0150 17 GLY 0.7946 0.0149 18 HIS 0.7964 0.0129 19 LEU 0.8001 0.0142 20 PHE 0.7763 0.0181 21 ASP 0.7739 0.0143 22 LEU 0.8034 0.0227 23 SER 0.8134 0.0125 24 SER 0.8047 0.0125 25 LEU 0.7655 0.0125 26 SER 0.7870 0.0122 27 GLY 0.7799 0.0164 28 ARG 0.8047 0.0156 29 ALA 0.0000 0.0000 30 GLY 0.8181 0.0178 31 PHE 0.8186 0.0229 32 THR 0.0000 0.0000 33 ALA 0.6718 0.0110 34 ALA 0.6703 0.0154 35 TYR 0.5714 0.0153 36 ALA 0.6057 0.0168 37 LYS 0.0000 0.0000 38 GLY 0.5846 0.0196 39 TRP 0.0000 0.0000 40 GLY 0.5983 0.0144 41 VAL 0.7429 0.0212 42 TYR 0.7884 0.0161 43 MET 0.7823 0.0159 44 SER 0.8082 0.0174 45 ILE 0.7966 0.0303 46 CYS 0.7869 0.0211 47 GLY 0.7975 0.0164 48 GLU 0.7877 0.0129 49 ASN 0.8030 0.0153 50 GLU 0.8318 0.0168 51 ASN 0.7604 0.0143 52 CYS 0.8229 0.0136 55 GLY 0.7744 0.0175 56 VAL 0.8436 0.0125 57 GLY 0.8181 0.0254 58 ALA 0.8115 0.0135 59 CYS 0.8165 0.0154 60 PHE 0.7813 0.0154 61 GLY 0.7877 0.0217 62 GLN 0.7301 0.0194 63 THR 0.0000 0.0000 64 ARG 0.7857 0.0213 65 ILE 0.7982 0.0265 66 SER 0.7138 0.0174 67 VAL 0.8310 0.0229 68 GLY 0.8335 0.0167 69 LYS 0.0000 0.0000 70 ALA 0.8157 0.0158 71 ASN 0.8269 0.0140 72 LYS 0.7760 0.0084 73 ARG 0.6979 0.0138 74 LEU 0.7714 0.0195 75 ARG 0.7755 0.0181 76 TYR 0.7558 0.0148 77 VAL 0.7652 0.0153 78 ASP 0.7734 0.0145 79 GLN 0.7336 0.0275 80 VAL 0.7476 0.0140 81 LEU 0.6375 0.0149 82 GLN 0.8000 0.0178 83 LEU 0.8073 0.0196 84 VAL 0.7790 0.0189 85 TYR 0.7815 0.0170 86 LYS 0.7785 0.0172 87 ASP 0.7872 0.0152 88 GLY 0.8031 0.0179 89 SER 0.7969 0.0192 91 CYS 0.0000 0.0000 93 SER 0.6517 0.0116 94 LYS 0.0000 0.0000 95 SER 0.5608 0.0128 96 GLY 0.6442 0.0180 97 LEU 0.6727 0.0140 98 SER 0.5838 0.0089 99 TYR 0.5272 0.0086 100 LYS 0.7446 0.0160 101 SER 0.0000 0.0000 102 VAL 0.7999 0.0184 103 ILE 0.8000 0.0173 104 SER 0.7260 0.0161 105 PHE 0.7972 0.0232 106 VAL 0.0000 0.0000 107 CYS 0.7905 0.0152 108 ARG 0.7905 0.0208 110 GLU 0.0000 0.0000 111 ALA 0.1685 0.0354 112 GLY 0.4318 0.0095 114 THR 0.5841 0.0122 115 ASN 0.5622 0.0134 116 ARG 0.0000 0.0000 118 MET 0.0000 0.0000 119 LEU 0.7750 0.0210 120 ILE 0.7674 0.0273 121 SER 0.0000 0.0000 122 LEU 0.7210 0.0150 123 ASP 0.7513 0.0160 124 LYS 0.7260 0.0083 125 GLN 0.6998 0.0118 126 THR 0.7936 0.0239 127 CYS 0.8088 0.0148 128 THR 0.0000 0.0000 129 LEU 0.0000 0.0000 130 PHE 0.8059 0.0185 131 PHE 0.8181 0.0211 132 SER 0.0000 0.0000 133 TRP 0.8139 0.0207 134 HIS 0.0000 0.0000 135 THR 0.7680 0.0181 137 LEU 0.7893 0.0169 138 ALA 0.7356 0.0166 139 CYS 0.8147 0.0130 140 GLU 0.6895 0.0116 141 LEU 0.0998 0.0055 142 ALA -0.7410 0.0050 stop_ save_