data_11094 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the complex of the PTB domain of SNT-2 and 19-residue peptide (aa 1571-1589) of hALK ; _BMRB_accession_number 11094 _BMRB_flat_file_name bmr11094.str _Entry_type original _Submission_date 2010-02-15 _Accession_date 2010-02-17 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Li H. . . 2 Koshiba S. . . 3 Inoue M. . . 4 Kigawa T. . . 5 Yokoyama S. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 928 "13C chemical shifts" 610 "15N chemical shifts" 141 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-02-14 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 11095 'Chemical shift assignments of the chimera of the PTB domain of SNT-2 and 19-residue peptide (aa 1571-1589) of hALK' stop_ _Original_release_date 2011-02-14 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of the complex of the PTB domain of SNT-2 and 19-residue peptide (aa 1571-1589) of hALK ; _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 Li H. . . 2 Koshiba S. . . 3 Inoue M. . . 4 Kigawa T. . . 5 Yokoyama S. . . stop_ _Journal_abbreviation . _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 'Fibroblast growth factor receptor substrate 3, ALK tyrosine kinase receptor' _Enzyme_commission_number E.C.2.7.10.1 loop_ _Mol_system_component_name _Mol_label 'PTB domain' $entity_1 'residues in database 1571-1589' $entity_2 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_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'PTB domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 146 _Mol_residue_sequence ; GSSGSSGLNRDSVPDNHPTK FKVTNVDDEGVELGSGVMEL TQSELVLHLHRREAVRWPYL CLRRYGYDSNLFSFESGRRC QTGQGIFAFKCSRAEEIFNL LQDLMQCNSINVMEEPVIIT RNSHPAELDLPRAPQPPNAL GYTVSS ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 LEU 9 ASN 10 ARG 11 ASP 12 SER 13 VAL 14 PRO 15 ASP 16 ASN 17 HIS 18 PRO 19 THR 20 LYS 21 PHE 22 LYS 23 VAL 24 THR 25 ASN 26 VAL 27 ASP 28 ASP 29 GLU 30 GLY 31 VAL 32 GLU 33 LEU 34 GLY 35 SER 36 GLY 37 VAL 38 MET 39 GLU 40 LEU 41 THR 42 GLN 43 SER 44 GLU 45 LEU 46 VAL 47 LEU 48 HIS 49 LEU 50 HIS 51 ARG 52 ARG 53 GLU 54 ALA 55 VAL 56 ARG 57 TRP 58 PRO 59 TYR 60 LEU 61 CYS 62 LEU 63 ARG 64 ARG 65 TYR 66 GLY 67 TYR 68 ASP 69 SER 70 ASN 71 LEU 72 PHE 73 SER 74 PHE 75 GLU 76 SER 77 GLY 78 ARG 79 ARG 80 CYS 81 GLN 82 THR 83 GLY 84 GLN 85 GLY 86 ILE 87 PHE 88 ALA 89 PHE 90 LYS 91 CYS 92 SER 93 ARG 94 ALA 95 GLU 96 GLU 97 ILE 98 PHE 99 ASN 100 LEU 101 LEU 102 GLN 103 ASP 104 LEU 105 MET 106 GLN 107 CYS 108 ASN 109 SER 110 ILE 111 ASN 112 VAL 113 MET 114 GLU 115 GLU 116 PRO 117 VAL 118 ILE 119 ILE 120 THR 121 ARG 122 ASN 123 SER 124 HIS 125 PRO 126 ALA 127 GLU 128 LEU 129 ASP 130 LEU 131 PRO 132 ARG 133 ALA 134 PRO 135 GLN 136 PRO 137 PRO 138 ASN 139 ALA 140 LEU 141 GLY 142 TYR 143 THR 144 VAL 145 SER 146 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-31 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 11095 "PTB domain and 19-residue peptide" 84.25 153 98.37 98.37 8.56e-83 PDB 2KUP "Solution Structure Of The Complex Of The Ptb Domain Of Snt-2 And 19- Residue Peptide (aa 1571-1589) Of Halk" 100.00 146 100.00 100.00 1.43e-103 PDB 2KUQ "Solution Structure Of The Chimera Of The Ptb Domain Of Snt-2 And 19- Residue Peptide (aa 1571-1589) Of Halk" 84.25 153 98.37 98.37 8.56e-83 PDB 2YS5 "Solution Structure Of The Complex Of The Ptb Domain Of Snt-2 And 19- Residue Peptide (aa 1571-1589) Of Halk" 100.00 146 100.00 100.00 1.43e-103 PDB 2YT2 "Solution Structure Of The Chimera Of The Ptb Domain Of Snt-2 And 19- Residue Peptide (aa 1571-1589) Of Halk" 84.25 153 98.37 98.37 8.56e-83 DBJ BAJ20358 "fibroblast growth factor receptor substrate 3 [synthetic construct]" 96.58 492 99.29 99.29 7.83e-94 EMBL CAG33307 "FRS3 [Homo sapiens]" 96.58 492 99.29 99.29 7.83e-94 GB AAB92555 "FGFR signalling adaptor SNT-2 [Homo sapiens]" 96.58 492 99.29 99.29 7.83e-94 GB AAH10611 "Fibroblast growth factor receptor substrate 3 [Homo sapiens]" 96.58 492 99.29 99.29 7.83e-94 GB AAI46159 "FRS3 protein [Bos taurus]" 96.58 495 98.58 98.58 1.18e-92 GB ABM83001 "fibroblast growth factor receptor substrate 3 [synthetic construct]" 96.58 492 99.29 99.29 7.83e-94 GB ABM86194 "fibroblast growth factor receptor substrate 3 [synthetic construct]" 96.58 492 99.29 99.29 7.83e-94 REF NP_001092388 "fibroblast growth factor receptor substrate 3 [Bos taurus]" 96.58 495 98.58 98.58 1.18e-92 REF NP_001162219 "fibroblast growth factor receptor substrate 3 [Papio anubis]" 96.58 492 99.29 99.29 6.66e-94 REF NP_001253120 "fibroblast growth factor receptor substrate 3 [Macaca mulatta]" 96.58 492 99.29 99.29 7.11e-94 REF NP_006644 "fibroblast growth factor receptor substrate 3 [Homo sapiens]" 96.58 492 99.29 99.29 7.83e-94 REF XP_001501207 "PREDICTED: fibroblast growth factor receptor substrate 3 isoform X1 [Equus caballus]" 96.58 495 98.58 98.58 3.16e-93 SP O43559 "RecName: Full=Fibroblast growth factor receptor substrate 3; Short=FGFR substrate 3; AltName: Full=FGFR-signaling adaptor SNT2;" 96.58 492 99.29 99.29 7.83e-94 TPG DAA16527 "TPA: fibroblast growth factor receptor substrate 3 [Bos taurus]" 96.58 495 98.58 98.58 1.18e-92 stop_ save_ save_entity_2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'residues in database 1571-1589' _Molecular_mass . _Mol_thiol_state 'all free' _Details . _Residue_count 19 _Mol_residue_sequence LFRLRHFPCGNVNYGYQQQ loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 201 LEU 2 202 PHE 3 203 ARG 4 204 LEU 5 205 ARG 6 206 HIS 7 207 PHE 8 208 PRO 9 209 CYS 10 210 GLY 11 211 ASN 12 212 VAL 13 213 ASN 14 214 TYR 15 215 GLY 16 216 TYR 17 217 GLN 18 218 GLN 19 219 GLN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-31 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 11095 "PTB domain and 19-residue peptide" 100.00 153 100.00 100.00 8.41e-05 PDB 2KUP "Solution Structure Of The Complex Of The Ptb Domain Of Snt-2 And 19- Residue Peptide (aa 1571-1589) Of Halk" 100.00 19 100.00 100.00 2.47e-04 PDB 2KUQ "Solution Structure Of The Chimera Of The Ptb Domain Of Snt-2 And 19- Residue Peptide (aa 1571-1589) Of Halk" 100.00 153 100.00 100.00 8.41e-05 PDB 2YS5 "Solution Structure Of The Complex Of The Ptb Domain Of Snt-2 And 19- Residue Peptide (aa 1571-1589) Of Halk" 100.00 19 100.00 100.00 2.47e-04 PDB 2YT2 "Solution Structure Of The Chimera Of The Ptb Domain Of Snt-2 And 19- Residue Peptide (aa 1571-1589) Of Halk" 100.00 153 100.00 100.00 8.41e-05 DBJ BAA08343 "p80 protein [Homo sapiens]" 100.00 680 100.00 100.00 2.06e-05 DBJ BAD92714 "anaplastic lymphoma kinase Ki-1 variant, partial [Homo sapiens]" 100.00 1626 100.00 100.00 1.69e-05 DBJ BAF73611 "fusion protein EML4-ALK variant 1 [Homo sapiens]" 100.00 1059 100.00 100.00 1.22e-05 DBJ BAF73612 "fusion protein EML4-ALK variant 2 [Homo sapiens]" 100.00 1310 100.00 100.00 1.27e-05 DBJ BAG10812 "ALK tyrosine kinase receptor precursor [synthetic construct]" 100.00 1620 100.00 100.00 1.75e-05 GB AAA58698 "nucleophosmin-anaplastic lymphoma kinase fusion protein [Homo sapiens]" 100.00 680 100.00 100.00 2.00e-05 GB AAB71619 "anaplastic lymphoma kinase [Homo sapiens]" 100.00 1620 100.00 100.00 1.67e-05 GB AAC51104 "anaplastic lymphoma kinase receptor [Homo sapiens]" 100.00 1620 100.00 100.00 1.75e-05 GB AAF27292 "TRK-fused gene/anaplastic lymphoma kinase (Ki-1) fusion protein long form [Homo sapiens]" 100.00 756 100.00 100.00 1.31e-05 GB AAF42734 "TRK-fused gene-anaplastic lymphoma kinase fusion protein [Homo sapiens]" 100.00 701 100.00 100.00 2.04e-05 REF NP_001162572 "ALK tyrosine kinase receptor precursor [Rattus norvegicus]" 100.00 1617 100.00 100.00 1.38e-05 REF NP_004295 "ALK tyrosine kinase receptor precursor [Homo sapiens]" 100.00 1620 100.00 100.00 1.68e-05 REF NP_031465 "ALK tyrosine kinase receptor precursor [Mus musculus]" 100.00 1621 100.00 100.00 1.56e-05 REF XP_001092966 "PREDICTED: ALK tyrosine kinase receptor [Macaca mulatta]" 100.00 442 100.00 100.00 1.72e-05 REF XP_001500618 "PREDICTED: LOW QUALITY PROTEIN: ALK tyrosine kinase receptor [Equus caballus]" 100.00 1623 100.00 100.00 1.56e-05 SP P97793 "RecName: Full=ALK tyrosine kinase receptor; AltName: Full=Anaplastic lymphoma kinase; AltName: CD_antigen=CD246; Flags: Precurs" 100.00 1621 100.00 100.00 1.56e-05 SP Q9UM73 "RecName: Full=ALK tyrosine kinase receptor; AltName: Full=Anaplastic lymphoma kinase; AltName: CD_antigen=CD246; Flags: Precurs" 100.00 1620 100.00 100.00 1.68e-05 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 human 9606 Eukaryota Metazoa Homo sapiens $entity_2 human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity_1 'cell free synthesis' 'E. coli' Escherichia coli . P060320-18 $entity_2 'cell free synthesis' 'E. coli' Escherichia coli . P060320-18 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 0.37mM SNT-2 PTB domain [U-15N, 13C] in complex with hALK peptide (1:1), 20mM d-Tris-HCl, 100mM NaCl, 1mM d-DTT, 0.02% NaN3, 90% H2O, 10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.37 mM '[U-13C; U-15N]' $entity_2 0.37 mM 'natural abundance' TRIS 20 mM [U-2H] 'sodium chloride' 100 mM 'natural abundance' DTT 1 mM [U-2H] 'sodium azide' 0.02 % 'natural abundance' H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Saveframe_category software _Name xwinnmr _Version 3.5 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 20031121 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRVIEW _Saveframe_category software _Name NMRView _Version 5.0.4 loop_ _Vendor _Address _Electronic_address 'Johnson, B.A.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_Kujira _Saveframe_category software _Name Kujira _Version 0.9820 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.0.17 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_1H-15N_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_13C,15N-F1_FILTERED_13C-EDITED_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C,15N-F1 FILTERED 13C-EDITED NOESY' _Sample_label $sample_1 save_ save_3D_13C,15N-F1_FILTERED_15N-EDITED_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C,15N-F1 FILTERED 15N-EDITED NOESY' _Sample_label $sample_1 save_ save_2D_F2-13C_FILTERED_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D F2-13C FILTERED NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 120 0.1 mM pH 7.0 0.05 pH pressure 1 0.001 atm temperature 298 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Saveframe_category chemical_shift_reference _Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; 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 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . 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_chemical_shift_1_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $XWINNMR $NMRPipe $NMRVIEW $Kujira $CYANA stop_ loop_ _Experiment_label '3D 1H-15N NOESY' '3D 1H-13C NOESY' '3D 13C,15N-F1 FILTERED 13C-EDITED NOESY' '3D 13C,15N-F1 FILTERED 15N-EDITED NOESY' '2D F2-13C FILTERED NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name 'PTB domain' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 7 7 GLY HA2 H 3.923 0.030 1 2 7 7 GLY HA3 H 3.923 0.030 1 3 7 7 GLY C C 173.966 0.300 1 4 7 7 GLY CA C 45.321 0.300 1 5 8 8 LEU H H 8.093 0.030 1 6 8 8 LEU HA H 4.223 0.030 1 7 8 8 LEU HB2 H 1.452 0.030 1 8 8 8 LEU HB3 H 1.452 0.030 1 9 8 8 LEU HD1 H 0.762 0.030 1 10 8 8 LEU HD2 H 0.707 0.030 1 11 8 8 LEU HG H 1.570 0.030 1 12 8 8 LEU C C 176.878 0.300 1 13 8 8 LEU CA C 55.189 0.300 1 14 8 8 LEU CB C 42.444 0.300 1 15 8 8 LEU CD1 C 24.614 0.300 2 16 8 8 LEU CD2 C 23.594 0.300 2 17 8 8 LEU CG C 26.991 0.300 1 18 8 8 LEU N N 121.558 0.300 1 19 9 9 ASN H H 8.449 0.030 1 20 9 9 ASN HA H 4.545 0.030 1 21 9 9 ASN HB2 H 2.758 0.030 2 22 9 9 ASN C C 175.566 0.300 1 23 9 9 ASN CA C 53.101 0.300 1 24 9 9 ASN CB C 38.746 0.300 1 25 9 9 ASN N N 120.042 0.300 1 26 10 10 ARG H H 8.465 0.030 1 27 10 10 ARG HA H 4.081 0.030 1 28 10 10 ARG HB2 H 1.692 0.030 2 29 10 10 ARG HB3 H 1.772 0.030 2 30 10 10 ARG C C 176.175 0.300 1 31 10 10 ARG CA C 57.590 0.300 1 32 10 10 ARG CB C 30.485 0.300 1 33 10 10 ARG CD C 43.432 0.300 1 34 10 10 ARG CG C 27.073 0.300 1 35 10 10 ARG N N 122.174 0.300 1 36 11 11 ASP H H 8.261 0.030 1 37 11 11 ASP HA H 4.508 0.030 1 38 11 11 ASP HB2 H 2.646 0.030 2 39 11 11 ASP HB3 H 2.533 0.030 2 40 11 11 ASP C C 176.277 0.300 1 41 11 11 ASP CA C 54.660 0.300 1 42 11 11 ASP CB C 40.801 0.300 1 43 11 11 ASP N N 119.339 0.300 1 44 12 12 SER H H 7.986 0.030 1 45 12 12 SER HA H 4.345 0.030 1 46 12 12 SER HB2 H 3.791 0.030 1 47 12 12 SER HB3 H 3.791 0.030 1 48 12 12 SER C C 174.105 0.300 1 49 12 12 SER CA C 58.370 0.300 1 50 12 12 SER CB C 63.778 0.300 1 51 12 12 SER N N 115.334 0.300 1 52 13 13 VAL H H 7.943 0.030 1 53 13 13 VAL HA H 4.353 0.030 1 54 13 13 VAL HB H 1.893 0.030 1 55 13 13 VAL HG1 H 0.742 0.030 1 56 13 13 VAL HG2 H 0.752 0.030 1 57 13 13 VAL C C 173.655 0.300 1 58 13 13 VAL CA C 59.406 0.300 1 59 13 13 VAL CB C 33.156 0.300 1 60 13 13 VAL CG1 C 21.058 0.300 2 61 13 13 VAL CG2 C 21.058 0.300 2 62 13 13 VAL N N 123.629 0.300 1 63 14 14 PRO HA H 4.497 0.030 1 64 14 14 PRO HB2 H 2.389 0.030 2 65 14 14 PRO HB3 H 1.973 0.030 2 66 14 14 PRO HD2 H 3.959 0.030 2 67 14 14 PRO HD3 H 3.653 0.030 2 68 14 14 PRO HG2 H 2.062 0.030 1 69 14 14 PRO HG3 H 2.062 0.030 1 70 14 14 PRO CA C 62.743 0.300 1 71 14 14 PRO CB C 32.649 0.300 1 72 14 14 PRO CD C 51.173 0.300 1 73 14 14 PRO CG C 27.649 0.300 1 74 15 15 ASP H H 8.099 0.030 1 75 15 15 ASP HA H 4.364 0.030 1 76 15 15 ASP HB2 H 2.525 0.030 2 77 15 15 ASP HB3 H 2.748 0.030 2 78 15 15 ASP C C 174.794 0.300 1 79 15 15 ASP CA C 56.245 0.300 1 80 15 15 ASP CB C 40.744 0.300 1 81 16 16 ASN H H 7.828 0.030 1 82 16 16 ASN HA H 4.582 0.030 1 83 16 16 ASN HB2 H 2.920 0.030 2 84 16 16 ASN HB3 H 2.616 0.030 2 85 16 16 ASN HD21 H 7.562 0.030 2 86 16 16 ASN HD22 H 6.743 0.030 2 87 16 16 ASN C C 175.255 0.300 1 88 16 16 ASN CA C 51.573 0.300 1 89 16 16 ASN CB C 37.894 0.300 1 90 16 16 ASN N N 114.728 0.300 1 91 16 16 ASN ND2 N 111.202 0.300 1 92 17 17 HIS H H 7.473 0.030 1 93 17 17 HIS HA H 4.254 0.030 1 94 17 17 HIS HB2 H 3.342 0.030 2 95 17 17 HIS HB3 H 2.869 0.030 2 96 17 17 HIS HD2 H 6.985 0.030 1 97 17 17 HIS HE1 H 7.773 0.030 1 98 17 17 HIS C C 175.400 0.300 1 99 17 17 HIS CA C 56.721 0.300 1 100 17 17 HIS CB C 31.137 0.300 1 101 17 17 HIS CD2 C 117.435 0.300 1 102 17 17 HIS CE1 C 139.497 0.300 1 103 17 17 HIS N N 123.742 0.300 1 104 18 18 PRO HA H 4.160 0.030 1 105 18 18 PRO HB2 H 1.893 0.030 2 106 18 18 PRO HB3 H 2.253 0.030 2 107 18 18 PRO HD2 H 2.370 0.030 2 108 18 18 PRO HD3 H 3.367 0.030 2 109 18 18 PRO HG2 H 1.745 0.030 2 110 18 18 PRO HG3 H 1.810 0.030 2 111 18 18 PRO C C 177.299 0.300 1 112 18 18 PRO CA C 64.888 0.300 1 113 18 18 PRO CB C 32.784 0.300 1 114 18 18 PRO CD C 50.298 0.300 1 115 18 18 PRO CG C 27.324 0.300 1 116 19 19 THR H H 9.502 0.030 1 117 19 19 THR HA H 4.633 0.030 1 118 19 19 THR HB H 4.982 0.030 1 119 19 19 THR HG2 H 1.132 0.030 1 120 19 19 THR C C 172.585 0.300 1 121 19 19 THR CA C 61.373 0.300 1 122 19 19 THR CB C 70.356 0.300 1 123 19 19 THR CG2 C 22.634 0.300 1 124 19 19 THR N N 106.075 0.300 1 125 20 20 LYS H H 7.072 0.030 1 126 20 20 LYS HA H 4.971 0.030 1 127 20 20 LYS HB2 H 0.684 0.030 2 128 20 20 LYS HB3 H 0.926 0.030 2 129 20 20 LYS HD2 H 0.528 0.030 2 130 20 20 LYS HD3 H 0.980 0.030 2 131 20 20 LYS HE2 H 2.418 0.030 2 132 20 20 LYS HE3 H 2.322 0.030 2 133 20 20 LYS HG2 H 1.915 0.030 2 134 20 20 LYS HG3 H 1.763 0.030 2 135 20 20 LYS C C 174.459 0.300 1 136 20 20 LYS CA C 55.402 0.300 1 137 20 20 LYS CB C 35.499 0.300 1 138 20 20 LYS CD C 29.561 0.300 1 139 20 20 LYS CE C 41.930 0.300 1 140 20 20 LYS CG C 27.560 0.300 1 141 20 20 LYS N N 121.175 0.300 1 142 21 21 PHE H H 9.089 0.030 1 143 21 21 PHE HA H 4.447 0.030 1 144 21 21 PHE HB2 H 2.737 0.030 2 145 21 21 PHE HB3 H 2.549 0.030 2 146 21 21 PHE HD1 H 6.862 0.030 1 147 21 21 PHE HD2 H 6.862 0.030 1 148 21 21 PHE HE1 H 6.850 0.030 1 149 21 21 PHE HE2 H 6.850 0.030 1 150 21 21 PHE HZ H 6.884 0.030 1 151 21 21 PHE C C 175.314 0.300 1 152 21 21 PHE CA C 56.333 0.300 1 153 21 21 PHE CB C 42.662 0.300 1 154 21 21 PHE CD1 C 132.259 0.300 1 155 21 21 PHE CD2 C 132.259 0.300 1 156 21 21 PHE CE1 C 130.388 0.300 1 157 21 21 PHE CE2 C 130.388 0.300 1 158 21 21 PHE CZ C 129.210 0.300 1 159 21 21 PHE N N 120.042 0.300 1 160 22 22 LYS H H 9.518 0.030 1 161 22 22 LYS HA H 4.552 0.030 1 162 22 22 LYS HB2 H 1.883 0.030 2 163 22 22 LYS HB3 H 1.954 0.030 2 164 22 22 LYS HD2 H 1.723 0.030 1 165 22 22 LYS HD3 H 1.723 0.030 1 166 22 22 LYS HE2 H 2.860 0.030 2 167 22 22 LYS HE3 H 2.932 0.030 2 168 22 22 LYS HG2 H 1.341 0.030 2 169 22 22 LYS HG3 H 1.570 0.030 2 170 22 22 LYS C C 176.394 0.300 1 171 22 22 LYS CA C 57.983 0.300 1 172 22 22 LYS CB C 31.430 0.300 1 173 22 22 LYS CD C 29.253 0.300 1 174 22 22 LYS CE C 42.650 0.300 1 175 22 22 LYS CG C 26.100 0.300 1 176 22 22 LYS N N 126.478 0.300 1 177 23 23 VAL H H 8.365 0.030 1 178 23 23 VAL HA H 5.487 0.030 1 179 23 23 VAL HB H 2.279 0.030 1 180 23 23 VAL HG1 H 0.820 0.030 1 181 23 23 VAL HG2 H 0.578 0.030 1 182 23 23 VAL C C 175.405 0.300 1 183 23 23 VAL CA C 58.914 0.300 1 184 23 23 VAL CB C 37.165 0.300 1 185 23 23 VAL CG1 C 21.237 0.300 2 186 23 23 VAL CG2 C 19.067 0.300 2 187 23 23 VAL N N 116.055 0.300 1 188 24 24 THR H H 8.490 0.030 1 189 24 24 THR HA H 5.098 0.030 1 190 24 24 THR HB H 3.854 0.030 1 191 24 24 THR HG2 H 1.202 0.030 1 192 24 24 THR C C 174.398 0.300 1 193 24 24 THR CA C 61.485 0.300 1 194 24 24 THR CB C 72.279 0.300 1 195 24 24 THR CG2 C 21.812 0.300 1 196 24 24 THR N N 116.261 0.300 1 197 25 25 ASN H H 9.388 0.030 1 198 25 25 ASN HA H 4.569 0.030 1 199 25 25 ASN HB2 H 2.872 0.030 2 200 25 25 ASN HB3 H 2.780 0.030 2 201 25 25 ASN HD21 H 6.057 0.030 2 202 25 25 ASN HD22 H 7.809 0.030 2 203 25 25 ASN C C 172.596 0.300 1 204 25 25 ASN CA C 54.858 0.300 1 205 25 25 ASN CB C 40.817 0.300 1 206 25 25 ASN N N 127.592 0.300 1 207 25 25 ASN ND2 N 111.773 0.300 1 208 26 26 VAL H H 7.297 0.030 1 209 26 26 VAL HA H 5.542 0.030 1 210 26 26 VAL HB H 1.714 0.030 1 211 26 26 VAL HG1 H 0.700 0.030 1 212 26 26 VAL HG2 H 0.539 0.030 1 213 26 26 VAL C C 174.069 0.300 1 214 26 26 VAL CA C 58.340 0.300 1 215 26 26 VAL CB C 36.507 0.300 1 216 26 26 VAL CG1 C 21.771 0.300 2 217 26 26 VAL CG2 C 18.086 0.300 2 218 26 26 VAL N N 115.957 0.300 1 219 27 27 ASP H H 7.183 0.030 1 220 27 27 ASP HA H 4.100 0.030 1 221 27 27 ASP HB2 H 1.660 0.030 2 222 27 27 ASP HB3 H 1.459 0.030 2 223 27 27 ASP C C 178.066 0.300 1 224 27 27 ASP CA C 51.626 0.300 1 225 27 27 ASP CB C 40.239 0.300 1 226 27 27 ASP N N 117.463 0.300 1 227 28 28 ASP H H 7.060 0.030 1 228 28 28 ASP HA H 4.108 0.030 1 229 28 28 ASP HB2 H 2.638 0.030 2 230 28 28 ASP HB3 H 2.556 0.030 2 231 28 28 ASP C C 176.993 0.300 1 232 28 28 ASP CA C 57.024 0.300 1 233 28 28 ASP CB C 41.589 0.300 1 234 28 28 ASP N N 114.155 0.300 1 235 29 29 GLU H H 7.963 0.030 1 236 29 29 GLU HA H 4.319 0.030 1 237 29 29 GLU HB2 H 1.889 0.030 2 238 29 29 GLU HB3 H 2.170 0.030 2 239 29 29 GLU HG2 H 2.103 0.030 1 240 29 29 GLU HG3 H 2.103 0.030 1 241 29 29 GLU C C 176.523 0.300 1 242 29 29 GLU CA C 55.559 0.300 1 243 29 29 GLU CB C 30.115 0.300 1 244 29 29 GLU CG C 36.691 0.300 1 245 29 29 GLU N N 117.480 0.300 1 246 30 30 GLY H H 7.732 0.030 1 247 30 30 GLY HA2 H 3.238 0.030 2 248 30 30 GLY HA3 H 4.033 0.030 2 249 30 30 GLY C C 173.772 0.300 1 250 30 30 GLY CA C 45.413 0.300 1 251 30 30 GLY N N 108.664 0.300 1 252 31 31 VAL H H 8.413 0.030 1 253 31 31 VAL HA H 3.504 0.030 1 254 31 31 VAL HB H 1.939 0.030 1 255 31 31 VAL HG1 H 0.794 0.030 1 256 31 31 VAL HG2 H 0.753 0.030 1 257 31 31 VAL C C 175.810 0.300 1 258 31 31 VAL CA C 63.737 0.300 1 259 31 31 VAL CB C 30.620 0.300 1 260 31 31 VAL CG1 C 22.844 0.300 2 261 31 31 VAL CG2 C 21.114 0.300 2 262 31 31 VAL N N 125.283 0.300 1 263 32 32 GLU H H 8.172 0.030 1 264 32 32 GLU HA H 4.043 0.030 1 265 32 32 GLU HB2 H 1.952 0.030 2 266 32 32 GLU HB3 H 1.841 0.030 2 267 32 32 GLU HG2 H 1.900 0.030 2 268 32 32 GLU HG3 H 2.458 0.030 2 269 32 32 GLU C C 176.695 0.300 1 270 32 32 GLU CA C 57.351 0.300 1 271 32 32 GLU CB C 30.279 0.300 1 272 32 32 GLU CG C 37.102 0.300 1 273 32 32 GLU N N 123.760 0.300 1 274 33 33 LEU H H 8.729 0.030 1 275 33 33 LEU HA H 4.513 0.030 1 276 33 33 LEU HB2 H 1.607 0.030 2 277 33 33 LEU HB3 H 1.472 0.030 2 278 33 33 LEU HD1 H 0.678 0.030 1 279 33 33 LEU HD2 H 0.653 0.030 1 280 33 33 LEU HG H 1.539 0.030 1 281 33 33 LEU C C 176.774 0.300 1 282 33 33 LEU CA C 53.754 0.300 1 283 33 33 LEU CB C 41.993 0.300 1 284 33 33 LEU CD1 C 26.968 0.300 2 285 33 33 LEU CD2 C 22.604 0.300 2 286 33 33 LEU CG C 26.574 0.300 1 287 33 33 LEU N N 126.129 0.300 1 288 34 34 GLY H H 8.029 0.030 1 289 34 34 GLY HA2 H 4.176 0.030 2 290 34 34 GLY HA3 H 4.075 0.030 2 291 34 34 GLY C C 173.193 0.300 1 292 34 34 GLY CA C 45.724 0.300 1 293 34 34 GLY N N 109.225 0.300 1 294 35 35 SER H H 8.834 0.030 1 295 35 35 SER HA H 5.569 0.030 1 296 35 35 SER HB2 H 4.098 0.030 2 297 35 35 SER HB3 H 3.932 0.030 2 298 35 35 SER C C 173.709 0.300 1 299 35 35 SER CA C 57.783 0.300 1 300 35 35 SER CB C 66.087 0.300 1 301 35 35 SER N N 118.168 0.300 1 302 36 36 GLY H H 8.750 0.030 1 303 36 36 GLY HA2 H 4.374 0.030 2 304 36 36 GLY HA3 H 4.222 0.030 2 305 36 36 GLY C C 172.184 0.300 1 306 36 36 GLY CA C 45.971 0.300 1 307 36 36 GLY N N 107.562 0.300 1 308 37 37 VAL H H 8.473 0.030 1 309 37 37 VAL HA H 4.936 0.030 1 310 37 37 VAL HB H 1.896 0.030 1 311 37 37 VAL HG1 H 0.684 0.030 1 312 37 37 VAL HG2 H 0.848 0.030 1 313 37 37 VAL C C 174.035 0.300 1 314 37 37 VAL CA C 60.925 0.300 1 315 37 37 VAL CB C 35.663 0.300 1 316 37 37 VAL CG1 C 21.544 0.300 2 317 37 37 VAL CG2 C 21.604 0.300 2 318 37 37 VAL N N 122.778 0.300 1 319 38 38 MET H H 9.907 0.030 1 320 38 38 MET HA H 5.285 0.030 1 321 38 38 MET HB2 H 1.529 0.030 2 322 38 38 MET HB3 H 1.951 0.030 2 323 38 38 MET HE H 1.338 0.030 1 324 38 38 MET HG2 H 2.040 0.030 2 325 38 38 MET HG3 H 1.944 0.030 2 326 38 38 MET C C 173.334 0.300 1 327 38 38 MET CA C 53.751 0.300 1 328 38 38 MET CB C 36.027 0.300 1 329 38 38 MET CE C 17.239 0.300 1 330 38 38 MET CG C 32.499 0.300 1 331 38 38 MET N N 129.782 0.300 1 332 39 39 GLU H H 10.261 0.030 1 333 39 39 GLU HA H 5.557 0.030 1 334 39 39 GLU HB2 H 1.621 0.030 2 335 39 39 GLU HB3 H 2.260 0.030 2 336 39 39 GLU HG2 H 2.132 0.030 2 337 39 39 GLU HG3 H 1.932 0.030 2 338 39 39 GLU C C 174.276 0.300 1 339 39 39 GLU CA C 53.411 0.300 1 340 39 39 GLU CB C 33.744 0.300 1 341 39 39 GLU CG C 35.869 0.300 1 342 39 39 GLU N N 130.953 0.300 1 343 40 40 LEU H H 8.529 0.030 1 344 40 40 LEU HA H 4.968 0.030 1 345 40 40 LEU HB2 H 1.756 0.030 2 346 40 40 LEU HB3 H 1.491 0.030 2 347 40 40 LEU HD1 H 0.684 0.030 1 348 40 40 LEU HD2 H 0.674 0.030 1 349 40 40 LEU HG H 1.784 0.030 1 350 40 40 LEU C C 177.275 0.300 1 351 40 40 LEU CA C 55.516 0.300 1 352 40 40 LEU CB C 41.665 0.300 1 353 40 40 LEU CD1 C 24.949 0.300 2 354 40 40 LEU CD2 C 26.498 0.300 2 355 40 40 LEU CG C 30.774 0.300 1 356 40 40 LEU N N 129.179 0.300 1 357 41 41 THR H H 8.287 0.030 1 358 41 41 THR HA H 4.729 0.030 1 359 41 41 THR HB H 4.910 0.030 1 360 41 41 THR HG2 H 1.107 0.030 1 361 41 41 THR C C 174.758 0.300 1 362 41 41 THR CA C 59.563 0.300 1 363 41 41 THR CB C 70.267 0.300 1 364 41 41 THR CG2 C 21.483 0.300 1 365 41 41 THR N N 114.394 0.300 1 366 42 42 GLN H H 8.681 0.030 1 367 42 42 GLN HA H 4.238 0.030 1 368 42 42 GLN HB2 H 2.126 0.030 1 369 42 42 GLN HB3 H 2.126 0.030 1 370 42 42 GLN HE21 H 6.842 0.030 2 371 42 42 GLN HE22 H 7.502 0.030 2 372 42 42 GLN HG2 H 2.480 0.030 2 373 42 42 GLN HG3 H 2.423 0.030 2 374 42 42 GLN C C 176.617 0.300 1 375 42 42 GLN CA C 59.212 0.300 1 376 42 42 GLN CB C 28.471 0.300 1 377 42 42 GLN CG C 34.061 0.300 1 378 42 42 GLN N N 117.554 0.300 1 379 42 42 GLN NE2 N 112.208 0.300 1 380 43 43 SER H H 7.918 0.030 1 381 43 43 SER HA H 4.577 0.030 1 382 43 43 SER HB2 H 3.746 0.030 2 383 43 43 SER HB3 H 3.590 0.030 2 384 43 43 SER C C 173.654 0.300 1 385 43 43 SER CA C 58.616 0.300 1 386 43 43 SER CB C 66.124 0.300 1 387 43 43 SER N N 106.896 0.300 1 388 44 44 GLU H H 7.172 0.030 1 389 44 44 GLU HA H 4.101 0.030 1 390 44 44 GLU HB2 H 1.553 0.030 2 391 44 44 GLU HB3 H 1.340 0.030 2 392 44 44 GLU HG2 H 1.673 0.030 2 393 44 44 GLU HG3 H 1.806 0.030 2 394 44 44 GLU C C 173.587 0.300 1 395 44 44 GLU CA C 55.103 0.300 1 396 44 44 GLU CB C 33.784 0.300 1 397 44 44 GLU CG C 35.294 0.300 1 398 44 44 GLU N N 120.949 0.300 1 399 45 45 LEU H H 8.234 0.030 1 400 45 45 LEU HA H 4.852 0.030 1 401 45 45 LEU HB2 H 1.802 0.030 2 402 45 45 LEU HB3 H 1.711 0.030 2 403 45 45 LEU HD1 H 0.234 0.030 1 404 45 45 LEU HD2 H 0.632 0.030 1 405 45 45 LEU HG H 1.615 0.030 1 406 45 45 LEU C C 176.045 0.300 1 407 45 45 LEU CA C 54.646 0.300 1 408 45 45 LEU CB C 44.213 0.300 1 409 45 45 LEU CD1 C 25.931 0.300 2 410 45 45 LEU CD2 C 24.688 0.300 2 411 45 45 LEU CG C 27.324 0.300 1 412 45 45 LEU N N 121.641 0.300 1 413 46 46 VAL H H 9.316 0.030 1 414 46 46 VAL HA H 4.510 0.030 1 415 46 46 VAL HB H 1.931 0.030 1 416 46 46 VAL HG1 H 0.227 0.030 1 417 46 46 VAL HG2 H 0.684 0.030 1 418 46 46 VAL C C 173.779 0.300 1 419 46 46 VAL CA C 61.478 0.300 1 420 46 46 VAL CB C 34.060 0.300 1 421 46 46 VAL CG1 C 20.925 0.300 2 422 46 46 VAL CG2 C 21.504 0.300 2 423 46 46 VAL N N 124.800 0.300 1 424 47 47 LEU H H 9.621 0.030 1 425 47 47 LEU HA H 5.020 0.030 1 426 47 47 LEU HB2 H 1.267 0.030 2 427 47 47 LEU HB3 H 2.136 0.030 2 428 47 47 LEU HD1 H 1.153 0.030 1 429 47 47 LEU HD2 H 0.600 0.030 1 430 47 47 LEU HG H 1.373 0.030 1 431 47 47 LEU C C 174.351 0.300 1 432 47 47 LEU CA C 53.160 0.300 1 433 47 47 LEU CB C 45.485 0.300 1 434 47 47 LEU CD1 C 28.702 0.300 2 435 47 47 LEU CD2 C 22.716 0.300 2 436 47 47 LEU CG C 27.564 0.300 1 437 47 47 LEU N N 128.983 0.300 1 438 48 48 HIS H H 9.402 0.030 1 439 48 48 HIS HA H 4.644 0.030 1 440 48 48 HIS HB2 H 3.145 0.030 2 441 48 48 HIS HB3 H 2.923 0.030 2 442 48 48 HIS HD2 H 6.807 0.030 1 443 48 48 HIS HE1 H 7.616 0.030 1 444 48 48 HIS C C 176.208 0.300 1 445 48 48 HIS CA C 55.489 0.300 1 446 48 48 HIS CB C 31.142 0.300 1 447 48 48 HIS CD2 C 118.446 0.300 1 448 48 48 HIS CE1 C 138.421 0.300 1 449 48 48 HIS N N 127.887 0.300 1 450 49 49 LEU H H 8.765 0.030 1 451 49 49 LEU HA H 4.710 0.030 1 452 49 49 LEU HB2 H 1.534 0.030 2 453 49 49 LEU HB3 H 1.437 0.030 2 454 49 49 LEU HD1 H 0.887 0.030 1 455 49 49 LEU HD2 H 0.862 0.030 1 456 49 49 LEU HG H 1.538 0.030 1 457 49 49 LEU C C 176.431 0.300 1 458 49 49 LEU CA C 53.926 0.300 1 459 49 49 LEU CB C 44.427 0.300 1 460 49 49 LEU CD1 C 25.773 0.300 2 461 49 49 LEU CD2 C 22.764 0.300 2 462 49 49 LEU CG C 26.924 0.300 1 463 49 49 LEU N N 126.820 0.300 1 464 50 50 HIS H H 8.654 0.030 1 465 50 50 HIS HA H 4.466 0.030 1 466 50 50 HIS HB2 H 3.093 0.030 1 467 50 50 HIS HB3 H 3.093 0.030 1 468 50 50 HIS HD2 H 7.029 0.030 1 469 50 50 HIS HE1 H 7.735 0.030 1 470 50 50 HIS C C 176.044 0.300 1 471 50 50 HIS CA C 57.920 0.300 1 472 50 50 HIS CB C 30.998 0.300 1 473 50 50 HIS CD2 C 119.898 0.300 1 474 50 50 HIS CE1 C 138.625 0.300 1 475 50 50 HIS N N 121.841 0.300 1 476 51 51 ARG H H 8.819 0.030 1 477 51 51 ARG HA H 3.747 0.030 1 478 51 51 ARG HB2 H 1.932 0.030 2 479 51 51 ARG HB3 H 1.730 0.030 2 480 51 51 ARG HD2 H 3.041 0.030 1 481 51 51 ARG HD3 H 3.041 0.030 1 482 51 51 ARG HG2 H 1.151 0.030 2 483 51 51 ARG HG3 H 0.912 0.030 2 484 51 51 ARG C C 174.891 0.300 1 485 51 51 ARG CA C 57.517 0.300 1 486 51 51 ARG CB C 27.824 0.300 1 487 51 51 ARG CD C 43.244 0.300 1 488 51 51 ARG CG C 27.329 0.300 1 489 51 51 ARG N N 119.470 0.300 1 490 52 52 ARG H H 7.759 0.030 1 491 52 52 ARG HA H 4.615 0.030 1 492 52 52 ARG HB2 H 1.607 0.030 2 493 52 52 ARG HB3 H 1.936 0.030 2 494 52 52 ARG HD2 H 3.177 0.030 2 495 52 52 ARG HD3 H 3.124 0.030 2 496 52 52 ARG HG2 H 1.620 0.030 1 497 52 52 ARG HG3 H 1.620 0.030 1 498 52 52 ARG CA C 54.694 0.300 1 499 52 52 ARG CB C 33.284 0.300 1 500 52 52 ARG CD C 43.268 0.300 1 501 52 52 ARG CG C 26.944 0.300 1 502 52 52 ARG N N 116.935 0.300 1 503 53 53 GLU H H 8.322 0.030 1 504 53 53 GLU HA H 4.181 0.030 1 505 53 53 GLU HB2 H 1.916 0.030 1 506 53 53 GLU HB3 H 1.916 0.030 1 507 53 53 GLU HG2 H 2.282 0.030 1 508 53 53 GLU HG3 H 2.282 0.030 1 509 53 53 GLU C C 175.907 0.300 1 510 53 53 GLU CA C 56.455 0.300 1 511 53 53 GLU CB C 30.197 0.300 1 512 53 53 GLU CG C 36.362 0.300 1 513 53 53 GLU N N 120.962 0.300 1 514 54 54 ALA H H 8.392 0.030 1 515 54 54 ALA HA H 4.477 0.030 1 516 54 54 ALA HB H 0.943 0.030 1 517 54 54 ALA C C 177.596 0.300 1 518 54 54 ALA CA C 52.327 0.300 1 519 54 54 ALA CB C 19.017 0.300 1 520 54 54 ALA N N 125.367 0.300 1 521 55 55 VAL H H 8.275 0.030 1 522 55 55 VAL HA H 3.838 0.030 1 523 55 55 VAL HB H 1.360 0.030 1 524 55 55 VAL HG1 H -0.319 0.030 1 525 55 55 VAL HG2 H 0.656 0.030 1 526 55 55 VAL C C 173.592 0.300 1 527 55 55 VAL CA C 61.232 0.300 1 528 55 55 VAL CB C 33.567 0.300 1 529 55 55 VAL CG1 C 21.446 0.300 2 530 55 55 VAL CG2 C 21.154 0.300 2 531 55 55 VAL N N 122.911 0.300 1 532 56 56 ARG H H 7.629 0.030 1 533 56 56 ARG HA H 5.234 0.030 1 534 56 56 ARG HB2 H 1.411 0.030 2 535 56 56 ARG HB3 H 1.313 0.030 2 536 56 56 ARG HD2 H 2.952 0.030 2 537 56 56 ARG HD3 H 3.121 0.030 2 538 56 56 ARG HE H 7.452 0.030 1 539 56 56 ARG HG2 H 1.204 0.030 1 540 56 56 ARG HG3 H 1.204 0.030 1 541 56 56 ARG C C 176.703 0.300 1 542 56 56 ARG CA C 53.747 0.300 1 543 56 56 ARG CB C 33.362 0.300 1 544 56 56 ARG CD C 42.857 0.300 1 545 56 56 ARG CG C 27.882 0.300 1 546 56 56 ARG N N 122.349 0.300 1 547 56 56 ARG NE N 85.165 0.300 1 548 57 57 TRP H H 9.597 0.030 1 549 57 57 TRP HA H 5.012 0.030 1 550 57 57 TRP HB2 H 3.066 0.030 2 551 57 57 TRP HB3 H 2.498 0.030 2 552 57 57 TRP HD1 H 7.658 0.030 1 553 57 57 TRP HE1 H 9.311 0.030 1 554 57 57 TRP HE3 H 7.378 0.030 1 555 57 57 TRP HH2 H 6.692 0.030 1 556 57 57 TRP HZ2 H 5.980 0.030 1 557 57 57 TRP HZ3 H 6.728 0.030 1 558 57 57 TRP C C 172.662 0.300 1 559 57 57 TRP CA C 56.069 0.300 1 560 57 57 TRP CB C 31.348 0.300 1 561 57 57 TRP CD1 C 126.792 0.300 1 562 57 57 TRP CE3 C 121.873 0.300 1 563 57 57 TRP CH2 C 123.098 0.300 1 564 57 57 TRP CZ2 C 114.655 0.300 1 565 57 57 TRP CZ3 C 121.483 0.300 1 566 57 57 TRP N N 123.568 0.300 1 567 57 57 TRP NE1 N 127.029 0.300 1 568 58 58 PRO HA H 4.579 0.030 1 569 58 58 PRO HB2 H 2.497 0.030 2 570 58 58 PRO HB3 H 1.945 0.030 2 571 58 58 PRO HD2 H 4.046 0.030 2 572 58 58 PRO HD3 H 3.788 0.030 2 573 58 58 PRO HG2 H 2.242 0.030 2 574 58 58 PRO HG3 H 2.129 0.030 2 575 58 58 PRO CA C 62.026 0.300 1 576 58 58 PRO CB C 31.794 0.300 1 577 58 58 PRO CD C 51.405 0.300 1 578 58 58 PRO CG C 28.064 0.300 1 579 59 59 TYR H H 8.331 0.030 1 580 59 59 TYR HA H 4.427 0.030 1 581 59 59 TYR HB2 H 2.782 0.030 2 582 59 59 TYR HB3 H 3.404 0.030 2 583 59 59 TYR HD1 H 6.704 0.030 1 584 59 59 TYR HD2 H 6.704 0.030 1 585 59 59 TYR HE1 H 6.389 0.030 1 586 59 59 TYR HE2 H 6.389 0.030 1 587 59 59 TYR CA C 58.969 0.300 1 588 59 59 TYR CB C 35.816 0.300 1 589 59 59 TYR CD1 C 129.584 0.300 1 590 59 59 TYR CD2 C 129.584 0.300 1 591 59 59 TYR CE1 C 119.707 0.300 1 592 59 59 TYR CE2 C 119.707 0.300 1 593 59 59 TYR N N 127.143 0.300 1 594 60 60 LEU H H 7.744 0.030 1 595 60 60 LEU HA H 4.043 0.030 1 596 60 60 LEU HB2 H 1.571 0.030 2 597 60 60 LEU HB3 H 1.511 0.030 2 598 60 60 LEU HD1 H 0.841 0.030 1 599 60 60 LEU HD2 H 0.734 0.030 1 600 60 60 LEU HG H 1.691 0.030 1 601 60 60 LEU C C 177.119 0.300 1 602 60 60 LEU CA C 56.947 0.300 1 603 60 60 LEU CB C 42.445 0.300 1 604 60 60 LEU CD1 C 24.834 0.300 2 605 60 60 LEU CD2 C 23.594 0.300 2 606 60 60 LEU CG C 27.024 0.300 1 607 60 60 LEU N N 113.356 0.300 1 608 61 61 CYS H H 8.073 0.030 1 609 61 61 CYS HA H 5.172 0.030 1 610 61 61 CYS HB2 H 3.101 0.030 2 611 61 61 CYS HB3 H 2.890 0.030 2 612 61 61 CYS C C 175.551 0.300 1 613 61 61 CYS CA C 57.650 0.300 1 614 61 61 CYS CB C 28.962 0.300 1 615 61 61 CYS N N 113.507 0.300 1 616 62 62 LEU H H 7.827 0.030 1 617 62 62 LEU HA H 4.658 0.030 1 618 62 62 LEU HB2 H 2.208 0.030 2 619 62 62 LEU HB3 H 1.082 0.030 2 620 62 62 LEU HD1 H 0.739 0.030 1 621 62 62 LEU HD2 H 0.582 0.030 1 622 62 62 LEU HG H 2.012 0.030 1 623 62 62 LEU C C 176.545 0.300 1 624 62 62 LEU CA C 55.788 0.300 1 625 62 62 LEU CB C 41.418 0.300 1 626 62 62 LEU CD1 C 26.415 0.300 2 627 62 62 LEU CD2 C 23.639 0.300 2 628 62 62 LEU CG C 26.824 0.300 1 629 62 62 LEU N N 123.973 0.300 1 630 63 63 ARG H H 9.304 0.030 1 631 63 63 ARG HA H 4.437 0.030 1 632 63 63 ARG HB2 H 1.528 0.030 2 633 63 63 ARG HB3 H 1.876 0.030 2 634 63 63 ARG HD2 H 3.034 0.030 1 635 63 63 ARG HD3 H 3.034 0.030 1 636 63 63 ARG HG2 H 1.722 0.030 2 637 63 63 ARG HG3 H 1.685 0.030 2 638 63 63 ARG C C 177.887 0.300 1 639 63 63 ARG CA C 57.755 0.300 1 640 63 63 ARG CB C 32.005 0.300 1 641 63 63 ARG CD C 43.432 0.300 1 642 63 63 ARG CG C 27.560 0.300 1 643 63 63 ARG N N 124.523 0.300 1 644 64 64 ARG H H 7.644 0.030 1 645 64 64 ARG HA H 4.986 0.030 1 646 64 64 ARG HB2 H 0.942 0.030 2 647 64 64 ARG HB3 H 1.662 0.030 2 648 64 64 ARG HD2 H 2.418 0.030 2 649 64 64 ARG HD3 H 1.489 0.030 2 650 64 64 ARG HE H 7.238 0.030 1 651 64 64 ARG HG2 H 1.121 0.030 2 652 64 64 ARG HG3 H 0.965 0.030 2 653 64 64 ARG C C 174.002 0.300 1 654 64 64 ARG CA C 54.611 0.300 1 655 64 64 ARG CB C 32.910 0.300 1 656 64 64 ARG CD C 42.890 0.300 1 657 64 64 ARG CG C 26.087 0.300 1 658 64 64 ARG N N 110.475 0.300 1 659 64 64 ARG NE N 84.734 0.300 1 660 65 65 TYR H H 8.563 0.030 1 661 65 65 TYR HA H 5.623 0.030 1 662 65 65 TYR HB2 H 3.226 0.030 2 663 65 65 TYR HB3 H 3.116 0.030 2 664 65 65 TYR HD1 H 6.674 0.030 1 665 65 65 TYR HD2 H 6.674 0.030 1 666 65 65 TYR HE1 H 6.097 0.030 1 667 65 65 TYR HE2 H 6.097 0.030 1 668 65 65 TYR C C 172.804 0.300 1 669 65 65 TYR CA C 56.926 0.300 1 670 65 65 TYR CB C 40.264 0.300 1 671 65 65 TYR CD1 C 133.383 0.300 1 672 65 65 TYR CD2 C 133.383 0.300 1 673 65 65 TYR CE1 C 117.882 0.300 1 674 65 65 TYR CE2 C 117.882 0.300 1 675 65 65 TYR N N 116.493 0.300 1 676 66 66 GLY H H 9.461 0.030 1 677 66 66 GLY HA2 H 4.165 0.030 2 678 66 66 GLY HA3 H 5.137 0.030 2 679 66 66 GLY C C 170.374 0.300 1 680 66 66 GLY CA C 47.454 0.300 1 681 66 66 GLY N N 107.152 0.300 1 682 67 67 TYR H H 7.882 0.030 1 683 67 67 TYR HA H 5.908 0.030 1 684 67 67 TYR HB2 H 3.300 0.030 2 685 67 67 TYR HB3 H 2.923 0.030 2 686 67 67 TYR HD1 H 6.229 0.030 1 687 67 67 TYR HD2 H 6.229 0.030 1 688 67 67 TYR HE1 H 6.248 0.030 1 689 67 67 TYR HE2 H 6.248 0.030 1 690 67 67 TYR C C 173.675 0.300 1 691 67 67 TYR CA C 56.661 0.300 1 692 67 67 TYR CB C 42.340 0.300 1 693 67 67 TYR CD1 C 132.728 0.300 1 694 67 67 TYR CD2 C 132.728 0.300 1 695 67 67 TYR CE1 C 118.019 0.300 1 696 67 67 TYR CE2 C 118.019 0.300 1 697 67 67 TYR N N 114.727 0.300 1 698 68 68 ASP H H 9.207 0.030 1 699 68 68 ASP HA H 4.185 0.030 1 700 68 68 ASP HB2 H 2.420 0.030 2 701 68 68 ASP HB3 H 2.724 0.030 2 702 68 68 ASP C C 176.199 0.300 1 703 68 68 ASP CA C 53.645 0.300 1 704 68 68 ASP CB C 45.115 0.300 1 705 68 68 ASP N N 121.594 0.300 1 706 69 69 SER H H 9.046 0.030 1 707 69 69 SER HA H 4.160 0.030 1 708 69 69 SER HB2 H 3.941 0.030 2 709 69 69 SER HB3 H 3.869 0.030 2 710 69 69 SER C C 174.744 0.300 1 711 69 69 SER CA C 61.127 0.300 1 712 69 69 SER CB C 62.388 0.300 1 713 69 69 SER N N 117.264 0.300 1 714 70 70 ASN H H 8.686 0.030 1 715 70 70 ASN HA H 5.200 0.030 1 716 70 70 ASN HB2 H 2.911 0.030 2 717 70 70 ASN HB3 H 2.805 0.030 2 718 70 70 ASN HD21 H 7.526 0.030 2 719 70 70 ASN HD22 H 6.844 0.030 2 720 70 70 ASN C C 174.868 0.300 1 721 70 70 ASN CA C 53.188 0.300 1 722 70 70 ASN CB C 38.911 0.300 1 723 70 70 ASN N N 119.782 0.300 1 724 70 70 ASN ND2 N 111.956 0.300 1 725 71 71 LEU H H 8.120 0.030 1 726 71 71 LEU HA H 5.203 0.030 1 727 71 71 LEU HB2 H 1.244 0.030 2 728 71 71 LEU HB3 H 1.451 0.030 2 729 71 71 LEU HD1 H 0.561 0.030 1 730 71 71 LEU HD2 H 0.682 0.030 1 731 71 71 LEU HG H 1.091 0.030 1 732 71 71 LEU C C 173.921 0.300 1 733 71 71 LEU CA C 54.681 0.300 1 734 71 71 LEU CB C 47.075 0.300 1 735 71 71 LEU CD1 C 25.872 0.300 2 736 71 71 LEU CD2 C 23.856 0.300 2 737 71 71 LEU CG C 27.324 0.300 1 738 71 71 LEU N N 122.995 0.300 1 739 72 72 PHE H H 9.352 0.030 1 740 72 72 PHE HA H 5.535 0.030 1 741 72 72 PHE HB2 H 3.160 0.030 2 742 72 72 PHE HB3 H 2.751 0.030 2 743 72 72 PHE HD1 H 7.294 0.030 1 744 72 72 PHE HD2 H 7.294 0.030 1 745 72 72 PHE HE1 H 7.159 0.030 1 746 72 72 PHE HE2 H 7.159 0.030 1 747 72 72 PHE HZ H 6.911 0.030 1 748 72 72 PHE C C 173.769 0.300 1 749 72 72 PHE CA C 55.715 0.300 1 750 72 72 PHE CB C 43.966 0.300 1 751 72 72 PHE CE1 C 130.748 0.300 1 752 72 72 PHE CE2 C 130.748 0.300 1 753 72 72 PHE CZ C 129.528 0.300 1 754 72 72 PHE N N 125.814 0.300 1 755 73 73 SER H H 8.104 0.030 1 756 73 73 SER HA H 5.216 0.030 1 757 73 73 SER HB2 H 2.956 0.030 2 758 73 73 SER HB3 H 2.643 0.030 2 759 73 73 SER C C 171.282 0.300 1 760 73 73 SER CA C 55.472 0.300 1 761 73 73 SER CB C 66.589 0.300 1 762 73 73 SER N N 120.743 0.300 1 763 74 74 PHE H H 8.052 0.030 1 764 74 74 PHE HA H 5.378 0.030 1 765 74 74 PHE HB2 H 3.180 0.030 2 766 74 74 PHE HB3 H 2.964 0.030 2 767 74 74 PHE HD1 H 6.583 0.030 1 768 74 74 PHE HD2 H 6.583 0.030 1 769 74 74 PHE HE1 H 5.882 0.030 1 770 74 74 PHE HE2 H 5.882 0.030 1 771 74 74 PHE HZ H 4.432 0.030 1 772 74 74 PHE C C 171.014 0.300 1 773 74 74 PHE CA C 56.596 0.300 1 774 74 74 PHE CB C 41.752 0.300 1 775 74 74 PHE CD1 C 131.766 0.300 1 776 74 74 PHE CD2 C 131.766 0.300 1 777 74 74 PHE CE1 C 129.921 0.300 1 778 74 74 PHE CE2 C 129.921 0.300 1 779 74 74 PHE CZ C 129.344 0.300 1 780 74 74 PHE N N 117.300 0.300 1 781 75 75 GLU H H 8.865 0.030 1 782 75 75 GLU HA H 5.858 0.030 1 783 75 75 GLU HB2 H 2.035 0.030 2 784 75 75 GLU HB3 H 1.632 0.030 2 785 75 75 GLU HG2 H 2.317 0.030 1 786 75 75 GLU HG3 H 2.317 0.030 1 787 75 75 GLU C C 175.940 0.300 1 788 75 75 GLU CA C 52.704 0.300 1 789 75 75 GLU CB C 34.389 0.300 1 790 75 75 GLU CG C 35.540 0.300 1 791 75 75 GLU N N 119.960 0.300 1 792 76 76 SER H H 9.929 0.030 1 793 76 76 SER HA H 5.191 0.030 1 794 76 76 SER HB2 H 4.062 0.030 2 795 76 76 SER HB3 H 4.982 0.030 2 796 76 76 SER C C 175.591 0.300 1 797 76 76 SER CA C 57.343 0.300 1 798 76 76 SER CB C 68.627 0.300 1 799 76 76 SER N N 123.543 0.300 1 800 77 77 GLY H H 8.674 0.030 1 801 77 77 GLY HA2 H 4.048 0.030 2 802 77 77 GLY HA3 H 4.382 0.030 2 803 77 77 GLY C C 172.568 0.300 1 804 77 77 GLY CA C 43.481 0.300 1 805 77 77 GLY N N 106.871 0.300 1 806 78 78 ARG H H 8.332 0.030 1 807 78 78 ARG HA H 4.055 0.030 1 808 78 78 ARG HB2 H 1.879 0.030 1 809 78 78 ARG HB3 H 1.879 0.030 1 810 78 78 ARG HD2 H 3.227 0.030 1 811 78 78 ARG HD3 H 3.227 0.030 1 812 78 78 ARG HG2 H 1.720 0.030 1 813 78 78 ARG HG3 H 1.720 0.030 1 814 78 78 ARG C C 178.750 0.300 1 815 78 78 ARG CA C 58.791 0.300 1 816 78 78 ARG CB C 31.512 0.300 1 817 78 78 ARG CD C 43.596 0.300 1 818 78 78 ARG CG C 27.896 0.300 1 819 78 78 ARG N N 113.657 0.300 1 820 79 79 ARG H H 8.585 0.030 1 821 79 79 ARG HA H 4.495 0.030 1 822 79 79 ARG HB2 H 1.719 0.030 2 823 79 79 ARG HB3 H 1.532 0.030 2 824 79 79 ARG HD2 H 3.161 0.030 1 825 79 79 ARG HD3 H 3.161 0.030 1 826 79 79 ARG HG2 H 1.632 0.030 2 827 79 79 ARG HG3 H 1.823 0.030 2 828 79 79 ARG C C 174.534 0.300 1 829 79 79 ARG CA C 55.647 0.300 1 830 79 79 ARG CB C 27.402 0.300 1 831 79 79 ARG CD C 43.596 0.300 1 832 79 79 ARG CG C 27.584 0.300 1 833 79 79 ARG N N 120.866 0.300 1 834 80 80 CYS H H 8.359 0.030 1 835 80 80 CYS HA H 4.780 0.030 1 836 80 80 CYS HB2 H 3.145 0.030 2 837 80 80 CYS HB3 H 3.851 0.030 2 838 80 80 CYS C C 174.804 0.300 1 839 80 80 CYS CA C 56.596 0.300 1 840 80 80 CYS CB C 30.033 0.300 1 841 80 80 CYS N N 114.926 0.300 1 842 81 81 GLN H H 9.301 0.030 1 843 81 81 GLN HA H 4.014 0.030 1 844 81 81 GLN HB2 H 1.943 0.030 2 845 81 81 GLN HB3 H 2.130 0.030 2 846 81 81 GLN HE21 H 7.502 0.030 2 847 81 81 GLN HE22 H 6.919 0.030 2 848 81 81 GLN HG2 H 2.310 0.030 2 849 81 81 GLN HG3 H 2.227 0.030 2 850 81 81 GLN C C 178.755 0.300 1 851 81 81 GLN CA C 59.616 0.300 1 852 81 81 GLN CB C 28.840 0.300 1 853 81 81 GLN CG C 33.784 0.300 1 854 81 81 GLN N N 122.898 0.300 1 855 81 81 GLN NE2 N 111.769 0.300 1 856 82 82 THR H H 8.450 0.030 1 857 82 82 THR HA H 4.141 0.030 1 858 82 82 THR HB H 4.466 0.030 1 859 82 82 THR HG2 H 0.978 0.030 1 860 82 82 THR C C 176.928 0.300 1 861 82 82 THR CA C 63.568 0.300 1 862 82 82 THR CB C 70.970 0.300 1 863 82 82 THR CG2 C 20.990 0.300 1 864 82 82 THR N N 107.330 0.300 1 865 83 83 GLY H H 7.842 0.030 1 866 83 83 GLY HA2 H 4.321 0.030 2 867 83 83 GLY HA3 H 3.992 0.030 2 868 83 83 GLY C C 173.263 0.300 1 869 83 83 GLY CA C 44.706 0.300 1 870 83 83 GLY N N 113.662 0.300 1 871 84 84 GLN H H 8.717 0.030 1 872 84 84 GLN HA H 4.277 0.030 1 873 84 84 GLN HB2 H 1.960 0.030 2 874 84 84 GLN HB3 H 1.851 0.030 2 875 84 84 GLN HE21 H 7.753 0.030 2 876 84 84 GLN HE22 H 6.815 0.030 2 877 84 84 GLN HG2 H 2.558 0.030 2 878 84 84 GLN HG3 H 2.510 0.030 2 879 84 84 GLN C C 176.864 0.300 1 880 84 84 GLN CA C 55.683 0.300 1 881 84 84 GLN CB C 28.758 0.300 1 882 84 84 GLN CG C 33.074 0.300 1 883 84 84 GLN N N 121.379 0.300 1 884 84 84 GLN NE2 N 110.838 0.300 1 885 85 85 GLY H H 8.075 0.030 1 886 85 85 GLY HA2 H 3.434 0.030 2 887 85 85 GLY HA3 H 3.789 0.030 2 888 85 85 GLY C C 168.889 0.300 1 889 85 85 GLY CA C 45.479 0.300 1 890 85 85 GLY N N 112.683 0.300 1 891 86 86 ILE H H 7.912 0.030 1 892 86 86 ILE HA H 4.372 0.030 1 893 86 86 ILE HB H 1.313 0.030 1 894 86 86 ILE HD1 H 0.522 0.030 1 895 86 86 ILE HG12 H 1.591 0.030 2 896 86 86 ILE HG13 H 0.572 0.030 2 897 86 86 ILE HG2 H 0.483 0.030 1 898 86 86 ILE C C 173.147 0.300 1 899 86 86 ILE CA C 60.389 0.300 1 900 86 86 ILE CB C 38.336 0.300 1 901 86 86 ILE CD1 C 13.579 0.300 1 902 86 86 ILE CG1 C 28.006 0.300 1 903 86 86 ILE CG2 C 18.646 0.300 1 904 86 86 ILE N N 120.348 0.300 1 905 87 87 PHE H H 8.222 0.030 1 906 87 87 PHE HA H 4.719 0.030 1 907 87 87 PHE HB2 H 2.432 0.030 2 908 87 87 PHE HB3 H 1.453 0.030 2 909 87 87 PHE HD1 H 6.729 0.030 1 910 87 87 PHE HD2 H 6.729 0.030 1 911 87 87 PHE HE1 H 7.331 0.030 1 912 87 87 PHE HE2 H 7.331 0.030 1 913 87 87 PHE HZ H 7.043 0.030 1 914 87 87 PHE C C 174.685 0.300 1 915 87 87 PHE CA C 55.156 0.300 1 916 87 87 PHE CB C 42.528 0.300 1 917 87 87 PHE CD1 C 133.397 0.300 1 918 87 87 PHE CD2 C 133.397 0.300 1 919 87 87 PHE CE1 C 130.776 0.300 1 920 87 87 PHE CE2 C 130.776 0.300 1 921 87 87 PHE CZ C 128.171 0.300 1 922 87 87 PHE N N 123.033 0.300 1 923 88 88 ALA H H 9.404 0.030 1 924 88 88 ALA HA H 5.029 0.030 1 925 88 88 ALA HB H 0.971 0.030 1 926 88 88 ALA C C 175.536 0.300 1 927 88 88 ALA CA C 50.760 0.300 1 928 88 88 ALA CB C 23.826 0.300 1 929 88 88 ALA N N 125.311 0.300 1 930 89 89 PHE H H 9.243 0.030 1 931 89 89 PHE HA H 5.208 0.030 1 932 89 89 PHE HB2 H 2.827 0.030 2 933 89 89 PHE HB3 H 2.951 0.030 2 934 89 89 PHE HD1 H 7.034 0.030 1 935 89 89 PHE HD2 H 7.034 0.030 1 936 89 89 PHE HE1 H 7.173 0.030 1 937 89 89 PHE HE2 H 7.173 0.030 1 938 89 89 PHE HZ H 7.079 0.030 1 939 89 89 PHE C C 174.729 0.300 1 940 89 89 PHE CA C 56.245 0.300 1 941 89 89 PHE CB C 42.826 0.300 1 942 89 89 PHE CD1 C 131.498 0.300 1 943 89 89 PHE CD2 C 131.498 0.300 1 944 89 89 PHE CE1 C 131.535 0.300 1 945 89 89 PHE CE2 C 131.535 0.300 1 946 89 89 PHE CZ C 129.136 0.300 1 947 89 89 PHE N N 117.566 0.300 1 948 90 90 LYS H H 9.609 0.030 1 949 90 90 LYS HA H 5.078 0.030 1 950 90 90 LYS HB2 H 1.684 0.030 2 951 90 90 LYS HB3 H 1.782 0.030 2 952 90 90 LYS HD2 H 1.630 0.030 1 953 90 90 LYS HD3 H 1.630 0.030 1 954 90 90 LYS HE2 H 2.892 0.030 1 955 90 90 LYS HE3 H 2.892 0.030 1 956 90 90 LYS HG2 H 1.419 0.030 2 957 90 90 LYS HG3 H 1.561 0.030 2 958 90 90 LYS CA C 56.069 0.300 1 959 90 90 LYS CB C 33.650 0.300 1 960 90 90 LYS CD C 29.775 0.300 1 961 90 90 LYS CE C 41.833 0.300 1 962 90 90 LYS CG C 25.053 0.300 1 963 90 90 LYS N N 126.400 0.300 1 964 91 91 CYS H H 8.432 0.030 1 965 91 91 CYS HA H 5.492 0.030 1 966 91 91 CYS HB2 H 3.215 0.030 2 967 91 91 CYS HB3 H 2.355 0.030 2 968 91 91 CYS CA C 58.812 0.300 1 969 91 91 CYS CB C 29.199 0.300 1 970 91 91 CYS N N 125.663 0.300 1 971 92 92 SER HA H 4.696 0.030 1 972 92 92 SER HB2 H 4.139 0.030 2 973 92 92 SER HB3 H 4.049 0.030 2 974 92 92 SER C C 175.067 0.300 1 975 92 92 SER CA C 61.197 0.300 1 976 92 92 SER CB C 62.668 0.300 1 977 93 93 ARG H H 7.865 0.030 1 978 93 93 ARG HA H 4.993 0.030 1 979 93 93 ARG HB2 H 1.613 0.030 2 980 93 93 ARG HB3 H 2.702 0.030 2 981 93 93 ARG HD2 H 3.305 0.030 2 982 93 93 ARG HD3 H 3.615 0.030 2 983 93 93 ARG HE H 7.322 0.030 1 984 93 93 ARG HG2 H 1.838 0.030 2 985 93 93 ARG HG3 H 1.715 0.030 2 986 93 93 ARG C C 175.694 0.300 1 987 93 93 ARG CA C 55.015 0.300 1 988 93 93 ARG CB C 31.512 0.300 1 989 93 93 ARG CD C 44.779 0.300 1 990 93 93 ARG CG C 26.324 0.300 1 991 93 93 ARG N N 121.416 0.300 1 992 93 93 ARG NE N 84.952 0.300 1 993 94 94 ALA H H 7.191 0.030 1 994 94 94 ALA HA H 3.576 0.030 1 995 94 94 ALA HB H 1.755 0.030 1 996 94 94 ALA C C 177.568 0.300 1 997 94 94 ALA CA C 56.894 0.300 1 998 94 94 ALA CB C 19.770 0.300 1 999 94 94 ALA N N 122.676 0.300 1 1000 95 95 GLU H H 8.595 0.030 1 1001 95 95 GLU HA H 2.637 0.030 1 1002 95 95 GLU HB2 H 1.707 0.030 1 1003 95 95 GLU HB3 H 1.707 0.030 1 1004 95 95 GLU HG2 H 1.595 0.030 2 1005 95 95 GLU HG3 H 1.919 0.030 2 1006 95 95 GLU C C 177.552 0.300 1 1007 95 95 GLU CA C 59.137 0.300 1 1008 95 95 GLU CB C 29.663 0.300 1 1009 95 95 GLU CG C 35.540 0.300 1 1010 95 95 GLU N N 116.035 0.300 1 1011 96 96 GLU H H 7.292 0.030 1 1012 96 96 GLU HA H 3.935 0.030 1 1013 96 96 GLU HB2 H 2.264 0.030 2 1014 96 96 GLU HB3 H 2.233 0.030 2 1015 96 96 GLU HG2 H 2.363 0.030 2 1016 96 96 GLU HG3 H 2.266 0.030 2 1017 96 96 GLU C C 179.497 0.300 1 1018 96 96 GLU CA C 59.441 0.300 1 1019 96 96 GLU CB C 30.526 0.300 1 1020 96 96 GLU CG C 37.349 0.300 1 1021 96 96 GLU N N 117.799 0.300 1 1022 97 97 ILE H H 7.371 0.030 1 1023 97 97 ILE HA H 2.612 0.030 1 1024 97 97 ILE HB H 0.719 0.030 1 1025 97 97 ILE HD1 H -0.058 0.030 1 1026 97 97 ILE HG12 H -1.468 0.030 2 1027 97 97 ILE HG13 H 0.437 0.030 2 1028 97 97 ILE HG2 H -0.534 0.030 1 1029 97 97 ILE C C 176.364 0.300 1 1030 97 97 ILE CA C 65.470 0.300 1 1031 97 97 ILE CB C 36.979 0.300 1 1032 97 97 ILE CD1 C 13.312 0.300 1 1033 97 97 ILE CG1 C 25.849 0.300 1 1034 97 97 ILE CG2 C 15.449 0.300 1 1035 97 97 ILE N N 119.510 0.300 1 1036 98 98 PHE H H 7.453 0.030 1 1037 98 98 PHE HA H 3.854 0.030 1 1038 98 98 PHE HB2 H 2.961 0.030 2 1039 98 98 PHE HB3 H 2.882 0.030 2 1040 98 98 PHE HD1 H 7.173 0.030 1 1041 98 98 PHE HD2 H 7.173 0.030 1 1042 98 98 PHE HE1 H 7.283 0.030 1 1043 98 98 PHE HE2 H 7.283 0.030 1 1044 98 98 PHE HZ H 7.112 0.030 1 1045 98 98 PHE C C 175.995 0.300 1 1046 98 98 PHE CA C 62.444 0.300 1 1047 98 98 PHE CB C 40.308 0.300 1 1048 98 98 PHE CD1 C 131.895 0.300 1 1049 98 98 PHE CD2 C 131.895 0.300 1 1050 98 98 PHE CE1 C 131.902 0.300 1 1051 98 98 PHE CE2 C 131.902 0.300 1 1052 98 98 PHE CZ C 130.084 0.300 1 1053 98 98 PHE N N 118.751 0.300 1 1054 99 99 ASN H H 8.399 0.030 1 1055 99 99 ASN HA H 4.214 0.030 1 1056 99 99 ASN HB2 H 2.703 0.030 1 1057 99 99 ASN HB3 H 2.703 0.030 1 1058 99 99 ASN HD21 H 7.481 0.030 2 1059 99 99 ASN HD22 H 6.983 0.030 2 1060 99 99 ASN C C 177.975 0.300 1 1061 99 99 ASN CA C 55.823 0.300 1 1062 99 99 ASN CB C 38.196 0.300 1 1063 99 99 ASN N N 116.368 0.300 1 1064 99 99 ASN ND2 N 110.745 0.300 1 1065 100 100 LEU H H 7.885 0.030 1 1066 100 100 LEU HA H 4.151 0.030 1 1067 100 100 LEU HB2 H 1.611 0.030 1 1068 100 100 LEU HB3 H 1.611 0.030 1 1069 100 100 LEU HD1 H 1.091 0.030 1 1070 100 100 LEU HD2 H 0.993 0.030 1 1071 100 100 LEU HG H 1.539 0.030 1 1072 100 100 LEU C C 178.134 0.300 1 1073 100 100 LEU CA C 57.650 0.300 1 1074 100 100 LEU CB C 41.377 0.300 1 1075 100 100 LEU CD1 C 26.302 0.300 2 1076 100 100 LEU CD2 C 23.434 0.300 2 1077 100 100 LEU CG C 27.046 0.300 1 1078 100 100 LEU N N 122.478 0.300 1 1079 101 101 LEU H H 8.313 0.030 1 1080 101 101 LEU HA H 3.432 0.030 1 1081 101 101 LEU HB2 H 1.132 0.030 2 1082 101 101 LEU HB3 H 1.012 0.030 2 1083 101 101 LEU HD1 H 0.085 0.030 1 1084 101 101 LEU HD2 H 0.085 0.030 1 1085 101 101 LEU HG H 0.552 0.030 1 1086 101 101 LEU C C 177.799 0.300 1 1087 101 101 LEU CA C 57.773 0.300 1 1088 101 101 LEU CB C 41.010 0.300 1 1089 101 101 LEU CD1 C 25.856 0.300 2 1090 101 101 LEU CD2 C 24.555 0.300 2 1091 101 101 LEU CG C 26.084 0.300 1 1092 101 101 LEU N N 120.695 0.300 1 1093 102 102 GLN H H 8.054 0.030 1 1094 102 102 GLN HA H 3.865 0.030 1 1095 102 102 GLN HB2 H 1.891 0.030 2 1096 102 102 GLN HB3 H 1.738 0.030 2 1097 102 102 GLN HE21 H 7.503 0.030 2 1098 102 102 GLN HE22 H 6.811 0.030 2 1099 102 102 GLN HG2 H 2.146 0.030 2 1100 102 102 GLN HG3 H 2.007 0.030 2 1101 102 102 GLN C C 178.623 0.300 1 1102 102 102 GLN CA C 59.230 0.300 1 1103 102 102 GLN CB C 29.334 0.300 1 1104 102 102 GLN CG C 34.554 0.300 1 1105 102 102 GLN N N 116.846 0.300 1 1106 102 102 GLN NE2 N 111.320 0.300 1 1107 103 103 ASP H H 7.301 0.030 1 1108 103 103 ASP HA H 4.364 0.030 1 1109 103 103 ASP HB2 H 2.787 0.030 2 1110 103 103 ASP HB3 H 2.661 0.030 2 1111 103 103 ASP C C 179.077 0.300 1 1112 103 103 ASP CA C 57.193 0.300 1 1113 103 103 ASP CB C 40.961 0.300 1 1114 103 103 ASP N N 119.125 0.300 1 1115 104 104 LEU H H 8.401 0.030 1 1116 104 104 LEU HA H 4.018 0.030 1 1117 104 104 LEU HB2 H 1.502 0.030 2 1118 104 104 LEU HB3 H 1.197 0.030 2 1119 104 104 LEU HD1 H 0.746 0.030 1 1120 104 104 LEU HD2 H 0.822 0.030 1 1121 104 104 LEU HG H 1.711 0.030 1 1122 104 104 LEU C C 180.169 0.300 1 1123 104 104 LEU CA C 57.650 0.300 1 1124 104 104 LEU CB C 42.140 0.300 1 1125 104 104 LEU CD1 C 26.415 0.300 2 1126 104 104 LEU CD2 C 22.644 0.300 2 1127 104 104 LEU CG C 26.824 0.300 1 1128 104 104 LEU N N 121.224 0.300 1 1129 105 105 MET H H 8.475 0.030 1 1130 105 105 MET HA H 4.055 0.030 1 1131 105 105 MET HB2 H 1.944 0.030 2 1132 105 105 MET HB3 H 1.992 0.030 2 1133 105 105 MET HE H 1.838 0.030 1 1134 105 105 MET HG2 H 2.051 0.030 2 1135 105 105 MET HG3 H 2.007 0.030 2 1136 105 105 MET C C 178.131 0.300 1 1137 105 105 MET CA C 57.404 0.300 1 1138 105 105 MET CB C 32.211 0.300 1 1139 105 105 MET CE C 16.952 0.300 1 1140 105 105 MET CG C 32.910 0.300 1 1141 105 105 MET N N 117.930 0.300 1 1142 106 106 GLN H H 7.634 0.030 1 1143 106 106 GLN HA H 4.216 0.030 1 1144 106 106 GLN HB2 H 2.183 0.030 1 1145 106 106 GLN HB3 H 2.183 0.030 1 1146 106 106 GLN HE21 H 7.601 0.030 2 1147 106 106 GLN HE22 H 6.844 0.030 2 1148 106 106 GLN HG2 H 2.483 0.030 2 1149 106 106 GLN HG3 H 2.415 0.030 2 1150 106 106 GLN C C 177.246 0.300 1 1151 106 106 GLN CA C 57.351 0.300 1 1152 106 106 GLN CB C 28.553 0.300 1 1153 106 106 GLN CG C 34.024 0.300 1 1154 106 106 GLN N N 118.180 0.300 1 1155 106 106 GLN NE2 N 112.673 0.300 1 1156 107 107 CYS H H 8.042 0.030 1 1157 107 107 CYS HA H 4.360 0.030 1 1158 107 107 CYS HB2 H 2.944 0.030 1 1159 107 107 CYS HB3 H 2.944 0.030 1 1160 107 107 CYS C C 175.068 0.300 1 1161 107 107 CYS CA C 60.108 0.300 1 1162 107 107 CYS CB C 27.443 0.300 1 1163 107 107 CYS N N 118.029 0.300 1 1164 108 108 ASN H H 8.198 0.030 1 1165 108 108 ASN HA H 4.766 0.030 1 1166 108 108 ASN HB2 H 2.833 0.030 1 1167 108 108 ASN HB3 H 2.833 0.030 1 1168 108 108 ASN HD21 H 7.063 0.030 2 1169 108 108 ASN HD22 H 7.647 0.030 2 1170 108 108 ASN C C 175.120 0.300 1 1171 108 108 ASN CA C 53.926 0.300 1 1172 108 108 ASN CB C 39.239 0.300 1 1173 108 108 ASN N N 119.533 0.300 1 1174 108 108 ASN ND2 N 112.987 0.300 1 1175 109 109 SER H H 8.077 0.030 1 1176 109 109 SER HA H 4.318 0.030 1 1177 109 109 SER HB2 H 3.859 0.030 1 1178 109 109 SER HB3 H 3.859 0.030 1 1179 109 109 SER C C 174.502 0.300 1 1180 109 109 SER CA C 58.984 0.300 1 1181 109 109 SER CB C 63.531 0.300 1 1182 109 109 SER N N 115.589 0.300 1 1183 110 110 ILE H H 7.871 0.030 1 1184 110 110 ILE HA H 4.128 0.030 1 1185 110 110 ILE HB H 1.833 0.030 1 1186 110 110 ILE HD1 H 0.817 0.030 1 1187 110 110 ILE HG12 H 1.122 0.030 2 1188 110 110 ILE HG13 H 1.410 0.030 2 1189 110 110 ILE HG2 H 0.843 0.030 1 1190 110 110 ILE C C 175.816 0.300 1 1191 110 110 ILE CA C 61.443 0.300 1 1192 110 110 ILE CB C 38.664 0.300 1 1193 110 110 ILE CD1 C 13.211 0.300 1 1194 110 110 ILE CG1 C 27.285 0.300 1 1195 110 110 ILE CG2 C 17.634 0.300 1 1196 110 110 ILE N N 120.975 0.300 1 1197 111 111 ASN H H 8.316 0.030 1 1198 111 111 ASN HA H 4.707 0.030 1 1199 111 111 ASN HB2 H 2.785 0.030 2 1200 111 111 ASN HB3 H 2.665 0.030 2 1201 111 111 ASN HD21 H 7.568 0.030 2 1202 111 111 ASN HD22 H 6.902 0.030 2 1203 111 111 ASN C C 175.060 0.300 1 1204 111 111 ASN CA C 53.171 0.300 1 1205 111 111 ASN CB C 39.034 0.300 1 1206 111 111 ASN N N 121.858 0.300 1 1207 111 111 ASN ND2 N 112.953 0.300 1 1208 112 112 VAL H H 8.033 0.030 1 1209 112 112 VAL HA H 4.062 0.030 1 1210 112 112 VAL HB H 2.060 0.030 1 1211 112 112 VAL HG1 H 0.866 0.030 1 1212 112 112 VAL HG2 H 0.862 0.030 1 1213 112 112 VAL C C 175.988 0.300 1 1214 112 112 VAL CA C 62.467 0.300 1 1215 112 112 VAL CB C 32.581 0.300 1 1216 112 112 VAL CG1 C 20.614 0.300 2 1217 112 112 VAL CG2 C 20.614 0.300 2 1218 112 112 VAL N N 120.260 0.300 1 1219 113 113 MET H H 8.323 0.030 1 1220 113 113 MET HA H 4.444 0.030 1 1221 113 113 MET HB2 H 2.038 0.030 2 1222 113 113 MET HB3 H 1.962 0.030 2 1223 113 113 MET HE H 2.037 0.030 1 1224 113 113 MET HG2 H 2.551 0.030 2 1225 113 113 MET HG3 H 2.484 0.030 2 1226 113 113 MET C C 175.905 0.300 1 1227 113 113 MET CA C 55.349 0.300 1 1228 113 113 MET CB C 32.868 0.300 1 1229 113 113 MET CE C 16.933 0.300 1 1230 113 113 MET CG C 32.004 0.300 1 1231 113 113 MET N N 123.428 0.300 1 1232 114 114 GLU H H 8.275 0.030 1 1233 114 114 GLU HA H 4.240 0.030 1 1234 114 114 GLU HB2 H 1.862 0.030 2 1235 114 114 GLU HB3 H 1.971 0.030 2 1236 114 114 GLU HG2 H 2.202 0.030 1 1237 114 114 GLU HG3 H 2.202 0.030 1 1238 114 114 GLU C C 175.973 0.300 1 1239 114 114 GLU CA C 56.245 0.300 1 1240 114 114 GLU CB C 30.508 0.300 1 1241 114 114 GLU CG C 36.362 0.300 1 1242 114 114 GLU N N 122.154 0.300 1 1243 115 115 GLU H H 8.380 0.030 1 1244 115 115 GLU HA H 4.500 0.030 1 1245 115 115 GLU HB2 H 1.833 0.030 2 1246 115 115 GLU HB3 H 1.975 0.030 2 1247 115 115 GLU HG2 H 2.233 0.030 1 1248 115 115 GLU HG3 H 2.233 0.030 1 1249 115 115 GLU C C 174.382 0.300 1 1250 115 115 GLU CA C 54.348 0.300 1 1251 115 115 GLU CB C 29.804 0.300 1 1252 115 115 GLU CG C 35.944 0.300 1 1253 115 115 GLU N N 123.606 0.300 1 1254 116 116 PRO HA H 4.373 0.030 1 1255 116 116 PRO HB2 H 2.204 0.030 2 1256 116 116 PRO HB3 H 1.792 0.030 2 1257 116 116 PRO HD2 H 3.642 0.030 2 1258 116 116 PRO HD3 H 3.756 0.030 2 1259 116 116 PRO HG2 H 1.961 0.030 1 1260 116 116 PRO HG3 H 1.961 0.030 1 1261 116 116 PRO C C 176.683 0.300 1 1262 116 116 PRO CA C 63.129 0.300 1 1263 116 116 PRO CB C 32.005 0.300 1 1264 116 116 PRO CD C 50.748 0.300 1 1265 116 116 PRO CG C 27.320 0.300 1 1266 117 117 VAL H H 8.221 0.030 1 1267 117 117 VAL HA H 3.992 0.030 1 1268 117 117 VAL HB H 1.948 0.030 1 1269 117 117 VAL HG1 H 0.844 0.030 1 1270 117 117 VAL HG2 H 0.909 0.030 1 1271 117 117 VAL C C 175.925 0.300 1 1272 117 117 VAL CA C 62.360 0.300 1 1273 117 117 VAL CB C 32.704 0.300 1 1274 117 117 VAL CG1 C 20.990 0.300 2 1275 117 117 VAL CG2 C 20.990 0.300 2 1276 117 117 VAL N N 121.245 0.300 1 1277 118 118 ILE H H 8.284 0.030 1 1278 118 118 ILE HA H 4.128 0.030 1 1279 118 118 ILE HB H 1.763 0.030 1 1280 118 118 ILE HD1 H 0.768 0.030 1 1281 118 118 ILE HG12 H 1.409 0.030 2 1282 118 118 ILE HG13 H 1.124 0.030 2 1283 118 118 ILE HG2 H 0.790 0.030 1 1284 118 118 ILE C C 176.015 0.300 1 1285 118 118 ILE CA C 60.745 0.300 1 1286 118 118 ILE CB C 38.458 0.300 1 1287 118 118 ILE CD1 C 12.489 0.300 1 1288 118 118 ILE CG1 C 27.320 0.300 1 1289 118 118 ILE CG2 C 17.373 0.300 1 1290 118 118 ILE N N 125.958 0.300 1 1291 119 119 ILE H H 8.336 0.030 1 1292 119 119 ILE HA H 4.129 0.030 1 1293 119 119 ILE HB H 1.761 0.030 1 1294 119 119 ILE HD1 H 0.772 0.030 1 1295 119 119 ILE HG12 H 1.412 0.030 2 1296 119 119 ILE HG13 H 1.155 0.030 2 1297 119 119 ILE HG2 H 0.843 0.030 1 1298 119 119 ILE C C 176.193 0.300 1 1299 119 119 ILE CA C 60.828 0.300 1 1300 119 119 ILE CB C 38.500 0.300 1 1301 119 119 ILE CD1 C 12.491 0.300 1 1302 119 119 ILE CG1 C 26.909 0.300 1 1303 119 119 ILE CG2 C 17.490 0.300 1 1304 119 119 ILE N N 126.508 0.300 1 1305 120 120 THR H H 8.263 0.030 1 1306 120 120 THR HA H 4.289 0.030 1 1307 120 120 THR HB H 4.120 0.030 1 1308 120 120 THR HG2 H 1.125 0.030 1 1309 120 120 THR C C 174.388 0.300 1 1310 120 120 THR CA C 61.706 0.300 1 1311 120 120 THR CB C 69.807 0.300 1 1312 120 120 THR CG2 C 21.648 0.300 1 1313 120 120 THR N N 119.254 0.300 1 1314 121 121 ARG H H 8.383 0.030 1 1315 121 121 ARG C C 175.884 0.300 1 1316 121 121 ARG CA C 56.104 0.300 1 1317 121 121 ARG CB C 30.526 0.300 1 1318 121 121 ARG N N 123.649 0.300 1 1319 122 122 ASN HA H 4.668 0.030 1 1320 122 122 ASN HB2 H 2.758 0.030 1 1321 122 122 ASN HB3 H 2.758 0.030 1 1322 122 122 ASN C C 175.042 0.300 1 1323 122 122 ASN CA C 53.259 0.300 1 1324 122 122 ASN CB C 38.828 0.300 1 1325 123 123 SER H H 8.225 0.030 1 1326 123 123 SER HA H 4.347 0.030 1 1327 123 123 SER HB2 H 3.786 0.030 1 1328 123 123 SER HB3 H 3.786 0.030 1 1329 123 123 SER C C 173.691 0.300 1 1330 123 123 SER CA C 58.405 0.300 1 1331 123 123 SER CB C 63.736 0.300 1 1332 123 123 SER N N 116.243 0.300 1 1333 124 124 HIS H H 8.315 0.030 1 1334 124 124 HIS HA H 4.842 0.030 1 1335 124 124 HIS HB2 H 2.973 0.030 2 1336 124 124 HIS HB3 H 3.077 0.030 2 1337 124 124 HIS HD2 H 7.035 0.030 1 1338 124 124 HIS C C 173.219 0.300 1 1339 124 124 HIS CA C 54.242 0.300 1 1340 124 124 HIS CB C 30.279 0.300 1 1341 124 124 HIS N N 122.181 0.300 1 1342 125 125 PRO HA H 4.341 0.030 1 1343 125 125 PRO HB2 H 2.252 0.030 1 1344 125 125 PRO HB3 H 2.252 0.030 1 1345 125 125 PRO HD2 H 3.682 0.030 2 1346 125 125 PRO HD3 H 3.372 0.030 2 1347 125 125 PRO HG2 H 1.929 0.030 1 1348 125 125 PRO HG3 H 1.929 0.030 1 1349 125 125 PRO C C 176.797 0.300 1 1350 125 125 PRO CA C 63.298 0.300 1 1351 125 125 PRO CB C 32.024 0.300 1 1352 125 125 PRO CD C 50.584 0.300 1 1353 125 125 PRO CG C 27.344 0.300 1 1354 126 126 ALA H H 8.629 0.030 1 1355 126 126 ALA HA H 4.232 0.030 1 1356 126 126 ALA HB H 1.354 0.030 1 1357 126 126 ALA C C 178.113 0.300 1 1358 126 126 ALA CA C 52.784 0.300 1 1359 126 126 ALA CB C 19.084 0.300 1 1360 126 126 ALA N N 124.542 0.300 1 1361 127 127 GLU H H 8.411 0.030 1 1362 127 127 GLU HA H 4.186 0.030 1 1363 127 127 GLU HB2 H 1.910 0.030 2 1364 127 127 GLU HB3 H 2.001 0.030 2 1365 127 127 GLU HG2 H 2.225 0.030 2 1366 127 127 GLU C C 176.548 0.300 1 1367 127 127 GLU CA C 56.744 0.300 1 1368 127 127 GLU CB C 29.992 0.300 1 1369 127 127 GLU N N 119.480 0.300 1 1370 128 128 LEU H H 8.082 0.030 1 1371 128 128 LEU HA H 4.260 0.030 1 1372 128 128 LEU HB2 H 1.573 0.030 2 1373 128 128 LEU HD1 H 0.841 0.030 1 1374 128 128 LEU C C 176.816 0.300 1 1375 128 128 LEU CA C 55.208 0.300 1 1376 128 128 LEU CB C 42.363 0.300 1 1377 128 128 LEU CD1 C 24.834 0.300 2 1378 128 128 LEU CD2 C 23.292 0.300 2 1379 128 128 LEU CG C 27.238 0.300 1 1380 128 128 LEU N N 121.926 0.300 1 1381 129 129 ASP H H 8.212 0.030 1 1382 129 129 ASP HA H 4.528 0.030 1 1383 129 129 ASP HB2 H 2.509 0.030 2 1384 129 129 ASP HB3 H 2.646 0.030 2 1385 129 129 ASP C C 175.597 0.300 1 1386 129 129 ASP CA C 54.120 0.300 1 1387 129 129 ASP CB C 40.984 0.300 1 1388 129 129 ASP N N 120.898 0.300 1 1389 130 130 LEU H H 7.935 0.030 1 1390 130 130 LEU HA H 4.533 0.030 1 1391 130 130 LEU HB2 H 1.532 0.030 2 1392 130 130 LEU HB3 H 1.484 0.030 2 1393 130 130 LEU HD1 H 0.850 0.030 1 1394 130 130 LEU HD2 H 0.852 0.030 1 1395 130 130 LEU HG H 1.594 0.030 1 1396 130 130 LEU C C 175.085 0.300 1 1397 130 130 LEU CA C 53.083 0.300 1 1398 130 130 LEU CB C 41.623 0.300 1 1399 130 130 LEU CD1 C 25.149 0.300 2 1400 130 130 LEU CD2 C 23.274 0.300 2 1401 130 130 LEU CG C 27.044 0.300 1 1402 130 130 LEU N N 123.445 0.300 1 1403 131 131 PRO HA H 4.362 0.030 1 1404 131 131 PRO HB2 H 2.221 0.030 2 1405 131 131 PRO HB3 H 1.817 0.030 2 1406 131 131 PRO HD2 H 3.562 0.030 2 1407 131 131 PRO HD3 H 3.774 0.030 2 1408 131 131 PRO HG2 H 1.965 0.030 2 1409 131 131 PRO C C 176.785 0.300 1 1410 131 131 PRO CA C 62.886 0.300 1 1411 131 131 PRO CB C 32.044 0.300 1 1412 131 131 PRO CD C 50.538 0.300 1 1413 131 131 PRO CG C 27.402 0.300 1 1414 132 132 ARG H H 8.377 0.030 1 1415 132 132 ARG HA H 4.260 0.030 1 1416 132 132 ARG HB2 H 1.781 0.030 2 1417 132 132 ARG HB3 H 1.693 0.030 2 1418 132 132 ARG HD2 H 3.125 0.030 1 1419 132 132 ARG HD3 H 3.125 0.030 1 1420 132 132 ARG HG2 H 1.621 0.030 2 1421 132 132 ARG HG3 H 1.533 0.030 2 1422 132 132 ARG C C 175.781 0.300 1 1423 132 132 ARG CA C 55.577 0.300 1 1424 132 132 ARG CB C 31.008 0.300 1 1425 132 132 ARG CD C 43.268 0.300 1 1426 132 132 ARG CG C 27.144 0.300 1 1427 132 132 ARG N N 121.601 0.300 1 1428 133 133 ALA H H 8.348 0.030 1 1429 133 133 ALA HA H 4.522 0.030 1 1430 133 133 ALA HB H 1.307 0.030 1 1431 133 133 ALA C C 175.472 0.300 1 1432 133 133 ALA CA C 50.404 0.300 1 1433 133 133 ALA CB C 18.049 0.300 1 1434 133 133 ALA N N 127.009 0.300 1 1435 134 134 PRO HA H 4.367 0.030 1 1436 134 134 PRO HB2 H 1.813 0.030 2 1437 134 134 PRO HB3 H 2.223 0.030 2 1438 134 134 PRO HD2 H 3.752 0.030 2 1439 134 134 PRO HD3 H 3.592 0.030 2 1440 134 134 PRO HG2 H 1.962 0.030 1 1441 134 134 PRO HG3 H 1.962 0.030 1 1442 134 134 PRO C C 176.659 0.300 1 1443 134 134 PRO CA C 62.915 0.300 1 1444 134 134 PRO CB C 32.005 0.300 1 1445 134 134 PRO CD C 50.584 0.300 1 1446 134 134 PRO CG C 27.320 0.300 1 1447 135 135 GLN H H 8.432 0.030 1 1448 135 135 GLN HA H 4.533 0.030 1 1449 135 135 GLN HB2 H 2.013 0.030 1 1450 135 135 GLN HB3 H 2.013 0.030 1 1451 135 135 GLN HG2 H 2.232 0.030 1 1452 135 135 GLN HG3 H 2.232 0.030 1 1453 135 135 GLN CA C 53.284 0.300 1 1454 135 135 GLN CB C 29.110 0.300 1 1455 135 135 GLN CG C 36.021 0.300 1 1456 135 135 GLN N N 121.773 0.300 1 1457 136 136 PRO HA H 4.650 0.030 1 1458 136 136 PRO HB2 H 2.312 0.030 2 1459 136 136 PRO HB3 H 1.862 0.030 2 1460 136 136 PRO HD2 H 3.575 0.030 2 1461 136 136 PRO HD3 H 3.761 0.030 2 1462 136 136 PRO HG2 H 1.960 0.030 1 1463 136 136 PRO HG3 H 1.960 0.030 1 1464 136 136 PRO CA C 61.490 0.300 1 1465 136 136 PRO CB C 30.848 0.300 1 1466 136 136 PRO CD C 50.473 0.300 1 1467 136 136 PRO CG C 27.381 0.300 1 1468 137 137 PRO HA H 4.332 0.030 1 1469 137 137 PRO HB2 H 2.224 0.030 2 1470 137 137 PRO HB3 H 1.811 0.030 2 1471 137 137 PRO HD2 H 3.602 0.030 2 1472 137 137 PRO HD3 H 3.752 0.030 2 1473 137 137 PRO HG2 H 1.963 0.030 1 1474 137 137 PRO HG3 H 1.963 0.030 1 1475 137 137 PRO C C 176.705 0.300 1 1476 137 137 PRO CA C 63.199 0.300 1 1477 137 137 PRO CB C 32.044 0.300 1 1478 137 137 PRO CD C 50.337 0.300 1 1479 137 137 PRO CG C 27.402 0.300 1 1480 138 138 ASN H H 8.352 0.030 1 1481 138 138 ASN HA H 4.577 0.030 1 1482 138 138 ASN HB2 H 2.749 0.030 1 1483 138 138 ASN HB3 H 2.749 0.030 1 1484 138 138 ASN C C 175.155 0.300 1 1485 138 138 ASN CA C 53.083 0.300 1 1486 138 138 ASN CB C 38.705 0.300 1 1487 138 138 ASN N N 117.871 0.300 1 1488 139 139 ALA H H 8.236 0.030 1 1489 139 139 ALA HA H 4.224 0.030 1 1490 139 139 ALA HB H 1.352 0.030 1 1491 139 139 ALA C C 177.722 0.300 1 1492 139 139 ALA CA C 52.855 0.300 1 1493 139 139 ALA CB C 19.140 0.300 1 1494 139 139 ALA N N 124.345 0.300 1 1495 140 140 LEU H H 8.142 0.030 1 1496 140 140 LEU HA H 4.227 0.030 1 1497 140 140 LEU HB2 H 1.537 0.030 1 1498 140 140 LEU HB3 H 1.537 0.030 1 1499 140 140 LEU HD1 H 0.758 0.030 1 1500 140 140 LEU HD2 H 0.796 0.030 1 1501 140 140 LEU HG H 1.571 0.030 1 1502 140 140 LEU C C 177.873 0.300 1 1503 140 140 LEU CA C 55.212 0.300 1 1504 140 140 LEU CB C 42.075 0.300 1 1505 140 140 LEU CD1 C 24.594 0.300 2 1506 140 140 LEU CD2 C 22.927 0.300 2 1507 140 140 LEU CG C 27.155 0.300 1 1508 140 140 LEU N N 120.376 0.300 1 1509 141 141 GLY H H 8.217 0.030 1 1510 141 141 GLY HA2 H 3.826 0.030 2 1511 141 141 GLY C C 173.684 0.300 1 1512 141 141 GLY CA C 45.215 0.300 1 1513 141 141 GLY N N 108.746 0.300 1 1514 142 142 TYR H H 7.867 0.030 1 1515 142 142 TYR HA H 4.597 0.030 1 1516 142 142 TYR HB2 H 2.985 0.030 2 1517 142 142 TYR HB3 H 2.918 0.030 2 1518 142 142 TYR HD1 H 7.021 0.030 1 1519 142 142 TYR HD2 H 7.021 0.030 1 1520 142 142 TYR HE1 H 6.771 0.030 1 1521 142 142 TYR HE2 H 6.771 0.030 1 1522 142 142 TYR C C 175.623 0.300 1 1523 142 142 TYR CA C 57.632 0.300 1 1524 142 142 TYR CB C 38.933 0.300 1 1525 142 142 TYR CD1 C 133.153 0.300 1 1526 142 142 TYR CD2 C 133.153 0.300 1 1527 142 142 TYR CE1 C 118.215 0.300 1 1528 142 142 TYR CE2 C 118.215 0.300 1 1529 142 142 TYR N N 119.666 0.300 1 1530 143 143 THR H H 8.120 0.030 1 1531 143 143 THR HA H 4.292 0.030 1 1532 143 143 THR HG2 H 1.105 0.030 1 1533 143 143 THR C C 173.864 0.300 1 1534 143 143 THR CA C 61.565 0.300 1 1535 143 143 THR CB C 70.354 0.300 1 1536 143 143 THR CG2 C 21.483 0.300 1 1537 143 143 THR N N 117.359 0.300 1 1538 144 144 VAL H H 8.190 0.030 1 1539 144 144 VAL HA H 4.064 0.030 1 1540 144 144 VAL HB H 2.060 0.030 1 1541 144 144 VAL HG1 H 0.908 0.030 1 1542 144 144 VAL HG2 H 0.908 0.030 1 1543 144 144 VAL C C 175.943 0.300 1 1544 144 144 VAL CA C 62.163 0.300 1 1545 144 144 VAL CB C 32.544 0.300 1 1546 144 144 VAL CG1 C 20.743 0.300 2 1547 144 144 VAL CG2 C 20.743 0.300 2 1548 144 144 VAL N N 123.003 0.300 1 1549 145 145 SER H H 8.414 0.030 1 1550 145 145 SER HA H 4.121 0.030 1 1551 145 145 SER C C 173.631 0.300 1 1552 145 145 SER CA C 58.282 0.300 1 1553 145 145 SER CB C 64.230 0.300 1 1554 145 145 SER N N 120.420 0.300 1 stop_ save_ save_chemical_shift_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $XWINNMR $NMRPipe $NMRVIEW $Kujira $CYANA stop_ loop_ _Experiment_label '3D 1H-15N NOESY' '3D 1H-13C NOESY' '3D 13C,15N-F1 FILTERED 13C-EDITED NOESY' '3D 13C,15N-F1 FILTERED 15N-EDITED NOESY' '2D F2-13C FILTERED NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name 'residues in database 1571-1589' _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 1 201 1 LEU HA H 3.584 0.030 1 2 201 1 LEU HB2 H 1.568 0.030 2 3 201 1 LEU HB3 H 1.760 0.030 2 4 201 1 LEU HD1 H 0.908 0.030 1 5 201 1 LEU HD2 H 0.948 0.030 1 6 201 1 LEU HG H 1.758 0.030 1 7 202 2 PHE H H 8.562 0.030 1 8 202 2 PHE HA H 4.372 0.030 1 9 202 2 PHE HB2 H 2.867 0.030 2 10 202 2 PHE HB3 H 2.745 0.030 2 11 202 2 PHE HD1 H 7.045 0.030 1 12 202 2 PHE HD2 H 7.045 0.030 1 13 202 2 PHE HE1 H 7.402 0.030 1 14 202 2 PHE HE2 H 7.402 0.030 1 15 202 2 PHE HZ H 7.402 0.030 1 16 203 3 ARG H H 7.814 0.030 1 17 203 3 ARG HA H 4.332 0.030 1 18 203 3 ARG HB2 H 1.692 0.030 2 19 203 3 ARG HB3 H 1.347 0.030 2 20 203 3 ARG HD2 H 3.164 0.030 2 21 203 3 ARG HD3 H 3.082 0.030 2 22 203 3 ARG HG2 H 1.447 0.030 2 23 203 3 ARG HG3 H 1.245 0.030 2 24 204 4 LEU H H 8.584 0.030 1 25 204 4 LEU HA H 4.402 0.030 1 26 204 4 LEU HB2 H 1.572 0.030 2 27 204 4 LEU HB3 H 1.127 0.030 2 28 204 4 LEU HD1 H 0.632 0.030 1 29 204 4 LEU HD2 H 0.676 0.030 1 30 204 4 LEU HG H 1.684 0.030 1 31 205 5 ARG H H 9.578 0.030 1 32 205 5 ARG HA H 4.020 0.030 1 33 205 5 ARG HB2 H 1.646 0.030 2 34 205 5 ARG HB3 H 1.489 0.030 2 35 205 5 ARG HD2 H 3.086 0.030 2 36 205 5 ARG HD3 H 3.066 0.030 2 37 205 5 ARG HG2 H 1.342 0.030 2 38 205 5 ARG HG3 H 1.492 0.030 2 39 206 6 HIS H H 7.555 0.030 1 40 206 6 HIS HA H 4.676 0.030 1 41 206 6 HIS HB2 H 2.893 0.030 2 42 206 6 HIS HB3 H 2.768 0.030 2 43 206 6 HIS HD2 H 6.848 0.030 1 44 206 6 HIS HE1 H 7.862 0.030 1 45 207 7 PHE HA H 4.244 0.030 1 46 207 7 PHE HB2 H 2.747 0.030 2 47 207 7 PHE HB3 H 3.012 0.030 2 48 207 7 PHE HD1 H 7.012 0.030 1 49 207 7 PHE HD2 H 7.012 0.030 1 50 207 7 PHE HE1 H 6.837 0.030 1 51 207 7 PHE HE2 H 6.837 0.030 1 52 207 7 PHE HZ H 6.603 0.030 1 53 208 8 PRO HA H 4.318 0.030 1 54 208 8 PRO HB2 H 1.720 0.030 2 55 208 8 PRO HB3 H 1.683 0.030 2 56 208 8 PRO HD2 H 3.472 0.030 2 57 208 8 PRO HD3 H 2.227 0.030 2 58 208 8 PRO HG2 H 1.449 0.030 2 59 208 8 PRO HG3 H 1.345 0.030 2 60 209 9 CYS H H 5.766 0.030 1 61 209 9 CYS HA H 4.532 0.030 1 62 209 9 CYS HB2 H 2.716 0.030 2 63 209 9 CYS HB3 H 2.086 0.030 2 64 210 10 GLY H H 9.012 0.030 1 65 210 10 GLY HA2 H 3.606 0.030 2 66 210 10 GLY HA3 H 3.933 0.030 2 67 211 11 ASN H H 7.077 0.030 1 68 211 11 ASN HA H 4.589 0.030 1 69 211 11 ASN HB2 H 2.296 0.030 2 70 211 11 ASN HB3 H 2.054 0.030 2 71 211 11 ASN HD21 H 6.663 0.030 2 72 211 11 ASN HD22 H 6.126 0.030 2 73 212 12 VAL H H 8.073 0.030 1 74 212 12 VAL HA H 4.661 0.030 1 75 212 12 VAL HB H 1.633 0.030 1 76 212 12 VAL HG1 H 0.323 0.030 1 77 212 12 VAL HG2 H 0.399 0.030 1 78 213 13 ASN H H 8.642 0.030 1 79 213 13 ASN HB2 H 1.597 0.030 2 80 213 13 ASN HB3 H 2.195 0.030 2 81 213 13 ASN HD21 H 6.887 0.030 2 82 213 13 ASN HD22 H 7.083 0.030 2 83 214 14 TYR H H 8.538 0.030 1 84 214 14 TYR HA H 4.499 0.030 1 85 214 14 TYR HB2 H 2.708 0.030 2 86 214 14 TYR HB3 H 3.003 0.030 2 87 214 14 TYR HD1 H 7.068 0.030 1 88 214 14 TYR HD2 H 7.068 0.030 1 89 214 14 TYR HE1 H 6.601 0.030 1 90 214 14 TYR HE2 H 6.601 0.030 1 91 215 15 GLY H H 7.870 0.030 1 92 215 15 GLY HA2 H 3.642 0.030 2 93 215 15 GLY HA3 H 4.151 0.030 2 94 216 16 TYR H H 8.571 0.030 1 95 216 16 TYR HA H 4.555 0.030 1 96 216 16 TYR HB2 H 2.817 0.030 2 97 216 16 TYR HB3 H 3.107 0.030 2 98 216 16 TYR HD1 H 7.192 0.030 1 99 216 16 TYR HD2 H 7.192 0.030 1 100 216 16 TYR HE1 H 6.769 0.030 1 101 216 16 TYR HE2 H 6.769 0.030 1 102 217 17 GLN H H 8.586 0.030 1 103 217 17 GLN HA H 4.309 0.030 1 104 217 17 GLN HB2 H 1.978 0.030 2 105 217 17 GLN HB3 H 2.110 0.030 2 106 217 17 GLN HE21 H 6.848 0.030 2 107 217 17 GLN HE22 H 7.491 0.030 2 108 217 17 GLN HG2 H 2.318 0.030 2 109 217 17 GLN HG3 H 2.335 0.030 2 110 218 18 GLN H H 8.434 0.030 1 111 218 18 GLN HA H 4.352 0.030 1 112 218 18 GLN HB2 H 1.983 0.030 2 113 218 18 GLN HB3 H 2.182 0.030 2 114 218 18 GLN HE21 H 6.836 0.030 2 115 218 18 GLN HE22 H 7.491 0.030 2 116 218 18 GLN HG2 H 2.342 0.030 1 117 218 18 GLN HG3 H 2.342 0.030 1 118 219 19 GLN H H 8.047 0.030 1 119 219 19 GLN HA H 4.134 0.030 1 120 219 19 GLN HB2 H 1.929 0.030 2 121 219 19 GLN HB3 H 2.094 0.030 2 122 219 19 GLN HE21 H 7.514 0.030 2 123 219 19 GLN HE22 H 6.734 0.030 2 124 219 19 GLN HG2 H 2.264 0.030 1 125 219 19 GLN HG3 H 2.264 0.030 1 stop_ save_