data_11365 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the second SURP domain of human splicing factor SF3a120 in complex with a fragment of human splicing factor SF3a60 ; _BMRB_accession_number 11365 _BMRB_flat_file_name bmr11365.str _Entry_type original _Submission_date 2010-09-07 _Accession_date 2010-09-07 _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 He F. . . 2 Kuwasako K. . . 3 Inoue M. . . 4 Guntert P. . . 5 Muto Y. . . 6 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" 787 "13C chemical shifts" 580 "15N chemical shifts" 123 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-09-07 original author . stop_ _Original_release_date 2011-09-07 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structures of the SURP domains and the subunit-assembly mechanism within the splicing factor SF3a complex in 17S U2 snRNP ; _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 Kuwasako K. . . 2 He F. . . 3 Inoue M. . . 4 Tanaka A. . . 5 Sugano S. . . 6 Guntert P. . . 7 Muto Y. . . 8 Yokoyama S. . . stop_ _Journal_abbreviation Structure _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 PROTEIN _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Splicing factor 3A subunit 3, residues_70-107' $entity_1 'Splicing factor 3 subunit 1, SURP domain' $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 'Splicing factor 3A subunit 3, residues_70-107' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 38 _Mol_residue_sequence ; GELNAISGPNEFAEFYNRLK QIKEFHRKHPNEICVPMS ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 GLU 3 LEU 4 ASN 5 ALA 6 ILE 7 SER 8 GLY 9 PRO 10 ASN 11 GLU 12 PHE 13 ALA 14 GLU 15 PHE 16 TYR 17 ASN 18 ARG 19 LEU 20 LYS 21 GLN 22 ILE 23 LYS 24 GLU 25 PHE 26 HIS 27 ARG 28 LYS 29 HIS 30 PRO 31 ASN 32 GLU 33 ILE 34 CYS 35 VAL 36 PRO 37 MET 38 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 PDB 2DT7 "Solution Structure Of The Second Surp Domain Of Human Splicing Factor Sf3a120 In Complex With A Fragment Of Human Splicing Fact" 100.00 38 100.00 100.00 8.97e-19 DBJ BAB29971 "unnamed protein product [Mus musculus]" 97.37 169 100.00 100.00 5.98e-18 DBJ BAC27111 "unnamed protein product [Mus musculus]" 97.37 501 100.00 100.00 5.86e-16 DBJ BAD96274 "splicing factor 3a, subunit 3 variant [Homo sapiens]" 97.37 501 100.00 100.00 8.51e-17 DBJ BAE01061 "unnamed protein product [Macaca fascicularis]" 97.37 501 100.00 100.00 8.34e-17 DBJ BAE29808 "unnamed protein product [Mus musculus]" 97.37 501 100.00 100.00 5.86e-16 EMBL CAA57388 "splicing factor SF3a60 [Homo sapiens]" 97.37 501 100.00 100.00 8.60e-17 EMBL CAH65397 "hypothetical protein RCJMB04_28g11 [Gallus gallus]" 97.37 501 97.30 100.00 3.61e-15 EMBL CDQ78487 "unnamed protein product [Oncorhynchus mykiss]" 97.37 501 100.00 100.00 8.18e-17 EMBL CDQ81146 "unnamed protein product [Oncorhynchus mykiss]" 97.37 501 100.00 100.00 9.90e-16 GB AAA19625 "SAP 61 [Homo sapiens]" 97.37 501 100.00 100.00 8.34e-17 GB AAH02395 "Splicing factor 3a, subunit 3, 60kDa [Homo sapiens]" 97.37 501 100.00 100.00 8.34e-17 GB AAH09141 "Splicing factor 3a, subunit 3 [Mus musculus]" 97.37 501 100.00 100.00 5.86e-16 GB AAH11523 "Splicing factor 3a, subunit 3, 60kDa [Homo sapiens]" 97.37 501 100.00 100.00 8.34e-17 GB AAH92058 "Splicing factor 3a, subunit 3 [Mus musculus]" 97.37 501 100.00 100.00 5.86e-16 REF NP_001004289 "splicing factor 3A subunit 3 [Danio rerio]" 97.37 501 97.30 97.30 7.21e-15 REF NP_001020869 "splicing factor 3A subunit 3 [Rattus norvegicus]" 97.37 501 100.00 100.00 5.86e-16 REF NP_001029720 "splicing factor 3A subunit 3 [Bos taurus]" 97.37 501 100.00 100.00 8.85e-17 REF NP_001233382 "splicing factor 3A subunit 3 [Pan troglodytes]" 97.37 501 100.00 100.00 8.34e-17 REF NP_001270624 "uncharacterized protein LOC101865812 [Macaca fascicularis]" 97.37 501 100.00 100.00 8.34e-17 SP Q12874 "RecName: Full=Splicing factor 3A subunit 3; AltName: Full=SF3a60; AltName: Full=Spliceosome-associated protein 61; Short=SAP 61" 97.37 501 100.00 100.00 8.34e-17 SP Q9D554 "RecName: Full=Splicing factor 3A subunit 3; AltName: Full=SF3a60; AltName: Full=Spliceosome-associated protein 61; Short=SAP 61" 97.37 501 100.00 100.00 5.86e-16 TPG DAA31011 "TPA: splicing factor 3a, subunit 3, 60kDa [Bos taurus]" 97.37 501 100.00 100.00 8.85e-17 stop_ save_ save_entity_2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Splicing factor 3 subunit 1, SURP domain' _Molecular_mass . _Mol_thiol_state 'not present' _Details . _Residue_count 85 _Mol_residue_sequence ; GAQVIQETIVPKEPPPEFEF IADPPSISAFDLDVVKLTAQ FVARNGRQFLTQLMQKEQRN YQFDFLRPQHSLFNYFTKLV EQYTK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 39 GLY 2 40 ALA 3 41 GLN 4 42 VAL 5 43 ILE 6 44 GLN 7 45 GLU 8 46 THR 9 47 ILE 10 48 VAL 11 49 PRO 12 50 LYS 13 51 GLU 14 52 PRO 15 53 PRO 16 54 PRO 17 55 GLU 18 56 PHE 19 57 GLU 20 58 PHE 21 59 ILE 22 60 ALA 23 61 ASP 24 62 PRO 25 63 PRO 26 64 SER 27 65 ILE 28 66 SER 29 67 ALA 30 68 PHE 31 69 ASP 32 70 LEU 33 71 ASP 34 72 VAL 35 73 VAL 36 74 LYS 37 75 LEU 38 76 THR 39 77 ALA 40 78 GLN 41 79 PHE 42 80 VAL 43 81 ALA 44 82 ARG 45 83 ASN 46 84 GLY 47 85 ARG 48 86 GLN 49 87 PHE 50 88 LEU 51 89 THR 52 90 GLN 53 91 LEU 54 92 MET 55 93 GLN 56 94 LYS 57 95 GLU 58 96 GLN 59 97 ARG 60 98 ASN 61 99 TYR 62 100 GLN 63 101 PHE 64 102 ASP 65 103 PHE 66 104 LEU 67 105 ARG 68 106 PRO 69 107 GLN 70 108 HIS 71 109 SER 72 110 LEU 73 111 PHE 74 112 ASN 75 113 TYR 76 114 PHE 77 115 THR 78 116 LYS 79 117 LEU 80 118 VAL 81 119 GLU 82 120 GLN 83 121 TYR 84 122 THR 85 123 LYS 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 PDB 2DT7 "Solution Structure Of The Second Surp Domain Of Human Splicing Factor Sf3a120 In Complex With A Fragment Of Human Splicing Fact" 100.00 85 100.00 100.00 1.51e-53 DBJ BAG64353 "unnamed protein product [Homo sapiens]" 98.82 690 97.62 98.81 2.61e-47 EMBL CAF94386 "unnamed protein product, partial [Tetraodon nigroviridis]" 98.82 228 98.81 100.00 2.82e-51 GB EOA97698 "Splicing factor 3 subunit 1, partial [Anas platyrhynchos]" 98.82 731 98.81 100.00 1.87e-48 REF XP_001498301 "PREDICTED: splicing factor 3A subunit 1 isoform 2 [Equus caballus]" 58.82 730 100.00 100.00 4.50e-25 REF XP_003258118 "PREDICTED: splicing factor 3A subunit 1 isoform 2 [Nomascus leucogenys]" 58.82 730 100.00 100.00 4.50e-25 REF XP_003433446 "PREDICTED: splicing factor 3A subunit 1 isoform X2 [Canis lupus familiaris]" 58.82 730 100.00 100.00 4.50e-25 REF XP_003478368 "PREDICTED: splicing factor 3A subunit 1 isoform 2 [Cavia porcellus]" 58.82 730 100.00 100.00 4.59e-25 REF XP_003483501 "PREDICTED: splicing factor 3A subunit 1 isoform 2 [Sus scrofa]" 58.82 730 100.00 100.00 4.59e-25 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_type _Vector_name $entity_1 'cell free synthesis' . Escherichia coli . plasmid 'PGEX6P-1-SF3A60 (71-107)-HIS(6)-SF3A120 SURP2 (134-217)' $entity_2 'cell free synthesis' . Escherichia coli . plasmid 'PGEX6P-1-SF3A60 (71-107)-HIS(6)-SF3A120 SURP2 (134-217)' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 2.0mM U-15N, 13C {PROTEIN;} 20mM sodium {phosphate;} 1mM {d-DTT;} 90% H2O, 10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 2.0 mM '[U-13C; U-15N]' $entity_2 2.0 mM '[U-13C; U-15N]' 'sodium phosphate' 20 mM 'natural abundance' d-DTT 1 mM 'natural abundance' H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Saveframe_category software _Name xwinnmr _Version 2.6 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 0.9321 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ save_OPALP _Saveframe_category software _Name OPALP _Version 1.4 loop_ _Vendor _Address _Electronic_address 'Koradi, R.' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 700 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_15N-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ save_3D_13C-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated 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' 20 0.1 mM pH 6.0 0.05 pH pressure 1 0.001 atm temperature 308 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 $OPALP stop_ loop_ _Experiment_label '3D 15N-separated NOESY' '3D 13C-separated NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name 'Splicing factor 3A subunit 3, residues_70-107' _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 2 2 GLU HA H 4.366 0.030 1 2 2 2 GLU HB2 H 2.063 0.030 2 3 2 2 GLU HB3 H 1.897 0.030 2 4 2 2 GLU HG2 H 2.240 0.030 1 5 2 2 GLU HG3 H 2.240 0.030 1 6 2 2 GLU C C 176.472 0.300 1 7 2 2 GLU CA C 56.470 0.300 1 8 2 2 GLU CB C 30.730 0.300 1 9 2 2 GLU CG C 36.273 0.300 1 10 3 3 LEU H H 8.446 0.030 1 11 3 3 LEU HA H 4.347 0.030 1 12 3 3 LEU HB2 H 1.644 0.030 2 13 3 3 LEU HB3 H 1.605 0.030 2 14 3 3 LEU HD1 H 0.936 0.030 1 15 3 3 LEU HD2 H 0.883 0.030 1 16 3 3 LEU HG H 1.638 0.030 1 17 3 3 LEU C C 177.005 0.300 1 18 3 3 LEU CA C 55.493 0.300 1 19 3 3 LEU CB C 42.430 0.300 1 20 3 3 LEU CD1 C 24.850 0.300 2 21 3 3 LEU CD2 C 23.800 0.300 2 22 3 3 LEU CG C 27.011 0.300 1 23 3 3 LEU N N 123.280 0.300 1 24 4 4 ASN H H 8.390 0.030 1 25 4 4 ASN HA H 4.712 0.030 1 26 4 4 ASN HB2 H 2.813 0.030 1 27 4 4 ASN HB3 H 2.813 0.030 1 28 4 4 ASN HD21 H 6.937 0.030 2 29 4 4 ASN HD22 H 7.613 0.030 2 30 4 4 ASN C C 174.673 0.300 1 31 4 4 ASN CA C 53.205 0.300 1 32 4 4 ASN CB C 38.979 0.300 1 33 4 4 ASN N N 119.528 0.300 1 34 4 4 ASN ND2 N 113.087 0.300 1 35 5 5 ALA H H 8.141 0.030 1 36 5 5 ALA HA H 4.349 0.030 1 37 5 5 ALA HB H 1.394 0.030 1 38 5 5 ALA C C 177.548 0.300 1 39 5 5 ALA CA C 52.739 0.300 1 40 5 5 ALA CB C 19.421 0.300 1 41 5 5 ALA N N 124.015 0.300 1 42 6 6 ILE H H 8.080 0.030 1 43 6 6 ILE HA H 4.228 0.030 1 44 6 6 ILE HB H 1.913 0.030 1 45 6 6 ILE HD1 H 0.869 0.030 1 46 6 6 ILE HG12 H 1.501 0.030 2 47 6 6 ILE HG13 H 1.210 0.030 2 48 6 6 ILE HG2 H 0.921 0.030 1 49 6 6 ILE C C 176.346 0.300 1 50 6 6 ILE CA C 61.256 0.300 1 51 6 6 ILE CB C 38.916 0.300 1 52 6 6 ILE CD1 C 13.016 0.300 1 53 6 6 ILE CG1 C 27.320 0.300 1 54 6 6 ILE CG2 C 17.784 0.300 1 55 6 6 ILE N N 119.290 0.300 1 56 7 7 SER H H 8.360 0.030 1 57 7 7 SER HA H 4.541 0.030 1 58 7 7 SER HB2 H 3.920 0.030 1 59 7 7 SER HB3 H 3.920 0.030 1 60 7 7 SER C C 174.644 0.300 1 61 7 7 SER CA C 58.490 0.300 1 62 7 7 SER CB C 64.119 0.300 1 63 7 7 SER N N 119.273 0.300 1 64 8 8 GLY H H 8.380 0.030 1 65 8 8 GLY HA2 H 4.258 0.030 2 66 8 8 GLY HA3 H 4.181 0.030 2 67 8 8 GLY C C 174.632 0.300 1 68 8 8 GLY CA C 45.450 0.300 1 69 8 8 GLY N N 111.096 0.300 1 70 9 9 PRO HA H 4.533 0.030 1 71 9 9 PRO HB2 H 2.391 0.030 2 72 9 9 PRO HB3 H 2.050 0.030 2 73 9 9 PRO HD2 H 3.730 0.030 2 74 9 9 PRO HD3 H 3.695 0.030 2 75 9 9 PRO HG2 H 1.978 0.030 2 76 9 9 PRO HG3 H 2.095 0.030 2 77 9 9 PRO C C 177.928 0.300 1 78 9 9 PRO CA C 64.159 0.300 1 79 9 9 PRO CB C 32.219 0.300 1 80 9 9 PRO CD C 50.092 0.300 1 81 9 9 PRO CG C 27.450 0.300 1 82 10 10 ASN H H 8.640 0.030 1 83 10 10 ASN HA H 4.833 0.030 1 84 10 10 ASN HB2 H 3.040 0.030 2 85 10 10 ASN HB3 H 2.970 0.030 2 86 10 10 ASN HD21 H 7.810 0.030 2 87 10 10 ASN HD22 H 7.055 0.030 2 88 10 10 ASN C C 176.527 0.300 1 89 10 10 ASN CA C 54.352 0.300 1 90 10 10 ASN CB C 38.858 0.300 1 91 10 10 ASN N N 118.796 0.300 1 92 10 10 ASN ND2 N 113.446 0.300 1 93 11 11 GLU H H 8.845 0.030 1 94 11 11 GLU HA H 4.377 0.030 1 95 11 11 GLU HB2 H 2.156 0.030 2 96 11 11 GLU HB3 H 2.117 0.030 2 97 11 11 GLU HG2 H 2.460 0.030 2 98 11 11 GLU HG3 H 2.350 0.030 2 99 11 11 GLU C C 178.653 0.300 1 100 11 11 GLU CA C 59.523 0.300 1 101 11 11 GLU CB C 29.810 0.300 1 102 11 11 GLU CG C 36.409 0.300 1 103 11 11 GLU N N 122.048 0.300 1 104 12 12 PHE H H 8.303 0.030 1 105 12 12 PHE HA H 4.370 0.030 1 106 12 12 PHE HB2 H 3.351 0.030 2 107 12 12 PHE HB3 H 3.167 0.030 2 108 12 12 PHE HD1 H 7.181 0.030 1 109 12 12 PHE HD2 H 7.181 0.030 1 110 12 12 PHE HE1 H 6.771 0.030 1 111 12 12 PHE HE2 H 6.771 0.030 1 112 12 12 PHE HZ H 6.737 0.030 1 113 12 12 PHE C C 177.319 0.300 1 114 12 12 PHE CA C 63.202 0.300 1 115 12 12 PHE CB C 38.756 0.300 1 116 12 12 PHE CD1 C 131.210 0.300 1 117 12 12 PHE CD2 C 131.210 0.300 1 118 12 12 PHE CE1 C 131.205 0.300 1 119 12 12 PHE CE2 C 131.205 0.300 1 120 12 12 PHE CZ C 129.436 0.300 1 121 12 12 PHE N N 117.652 0.300 1 122 13 13 ALA H H 8.090 0.030 1 123 13 13 ALA HA H 4.374 0.030 1 124 13 13 ALA HB H 1.619 0.030 1 125 13 13 ALA C C 180.814 0.300 1 126 13 13 ALA CA C 55.594 0.300 1 127 13 13 ALA CB C 17.909 0.300 1 128 13 13 ALA N N 121.755 0.300 1 129 14 14 GLU H H 8.141 0.030 1 130 14 14 GLU HA H 4.287 0.030 1 131 14 14 GLU HB2 H 2.350 0.030 2 132 14 14 GLU HB3 H 2.291 0.030 2 133 14 14 GLU HG2 H 2.570 0.030 2 134 14 14 GLU HG3 H 2.499 0.030 2 135 14 14 GLU C C 178.339 0.300 1 136 14 14 GLU CA C 59.117 0.300 1 137 14 14 GLU CB C 29.366 0.300 1 138 14 14 GLU CG C 35.873 0.300 1 139 14 14 GLU N N 118.443 0.300 1 140 15 15 PHE H H 8.189 0.030 1 141 15 15 PHE HA H 3.201 0.030 1 142 15 15 PHE HB2 H 2.899 0.030 2 143 15 15 PHE HB3 H 2.417 0.030 2 144 15 15 PHE HD1 H 5.858 0.030 1 145 15 15 PHE HD2 H 5.858 0.030 1 146 15 15 PHE HE1 H 6.871 0.030 1 147 15 15 PHE HE2 H 6.871 0.030 1 148 15 15 PHE HZ H 7.463 0.030 1 149 15 15 PHE C C 176.606 0.300 1 150 15 15 PHE CA C 61.900 0.300 1 151 15 15 PHE CB C 38.748 0.300 1 152 15 15 PHE CD1 C 130.983 0.300 1 153 15 15 PHE CD2 C 130.983 0.300 1 154 15 15 PHE CE1 C 131.157 0.300 1 155 15 15 PHE CE2 C 131.157 0.300 1 156 15 15 PHE CZ C 129.478 0.300 1 157 15 15 PHE N N 121.186 0.300 1 158 16 16 TYR H H 8.499 0.030 1 159 16 16 TYR HA H 4.010 0.030 1 160 16 16 TYR HB2 H 3.107 0.030 2 161 16 16 TYR HB3 H 2.934 0.030 2 162 16 16 TYR HD1 H 7.347 0.030 1 163 16 16 TYR HD2 H 7.347 0.030 1 164 16 16 TYR HE1 H 6.708 0.030 1 165 16 16 TYR HE2 H 6.708 0.030 1 166 16 16 TYR C C 179.474 0.300 1 167 16 16 TYR CA C 63.191 0.300 1 168 16 16 TYR CB C 37.276 0.300 1 169 16 16 TYR CD1 C 133.286 0.300 1 170 16 16 TYR CD2 C 133.286 0.300 1 171 16 16 TYR CE1 C 117.927 0.300 1 172 16 16 TYR CE2 C 117.927 0.300 1 173 16 16 TYR N N 116.075 0.300 1 174 17 17 ASN H H 8.346 0.030 1 175 17 17 ASN HA H 4.613 0.030 1 176 17 17 ASN HB2 H 3.049 0.030 2 177 17 17 ASN HB3 H 2.931 0.030 2 178 17 17 ASN HD21 H 7.708 0.030 2 179 17 17 ASN HD22 H 6.904 0.030 2 180 17 17 ASN C C 178.230 0.300 1 181 17 17 ASN CA C 56.526 0.300 1 182 17 17 ASN CB C 38.330 0.300 1 183 17 17 ASN N N 121.322 0.300 1 184 17 17 ASN ND2 N 112.641 0.300 1 185 18 18 ARG H H 8.282 0.030 1 186 18 18 ARG HA H 4.086 0.030 1 187 18 18 ARG HB2 H 1.963 0.030 2 188 18 18 ARG HB3 H 1.793 0.030 2 189 18 18 ARG HD2 H 3.321 0.030 2 190 18 18 ARG HD3 H 3.298 0.030 2 191 18 18 ARG HG2 H 1.935 0.030 2 192 18 18 ARG HG3 H 1.896 0.030 2 193 18 18 ARG C C 179.088 0.300 1 194 18 18 ARG CA C 58.269 0.300 1 195 18 18 ARG CB C 29.468 0.300 1 196 18 18 ARG CD C 42.479 0.300 1 197 18 18 ARG CG C 27.423 0.300 1 198 18 18 ARG N N 120.931 0.300 1 199 19 19 LEU H H 8.497 0.030 1 200 19 19 LEU HA H 3.801 0.030 1 201 19 19 LEU HB2 H 1.031 0.030 2 202 19 19 LEU HB3 H 1.739 0.030 2 203 19 19 LEU HD1 H 1.019 0.030 1 204 19 19 LEU HD2 H 0.797 0.030 1 205 19 19 LEU HG H 1.471 0.030 1 206 19 19 LEU C C 178.580 0.300 1 207 19 19 LEU CA C 58.145 0.300 1 208 19 19 LEU CB C 41.856 0.300 1 209 19 19 LEU CD1 C 25.926 0.300 2 210 19 19 LEU CD2 C 24.850 0.300 2 211 19 19 LEU CG C 27.026 0.300 1 212 19 19 LEU N N 122.151 0.300 1 213 20 20 LYS H H 7.902 0.030 1 214 20 20 LYS HA H 4.030 0.030 1 215 20 20 LYS HB2 H 2.126 0.030 2 216 20 20 LYS HB3 H 2.086 0.030 2 217 20 20 LYS HD2 H 1.771 0.030 1 218 20 20 LYS HD3 H 1.771 0.030 1 219 20 20 LYS HE2 H 3.032 0.030 1 220 20 20 LYS HE3 H 3.032 0.030 1 221 20 20 LYS HG2 H 1.661 0.030 2 222 20 20 LYS HG3 H 1.480 0.030 2 223 20 20 LYS C C 178.863 0.300 1 224 20 20 LYS CA C 60.064 0.300 1 225 20 20 LYS CB C 32.223 0.300 1 226 20 20 LYS CD C 29.740 0.300 1 227 20 20 LYS CE C 42.207 0.300 1 228 20 20 LYS CG C 25.103 0.300 1 229 20 20 LYS N N 119.542 0.300 1 230 21 21 GLN H H 7.571 0.030 1 231 21 21 GLN HA H 4.151 0.030 1 232 21 21 GLN HB2 H 2.340 0.030 2 233 21 21 GLN HB3 H 2.210 0.030 2 234 21 21 GLN HE21 H 7.302 0.030 2 235 21 21 GLN HE22 H 6.824 0.030 2 236 21 21 GLN HG2 H 2.641 0.030 2 237 21 21 GLN HG3 H 2.432 0.030 2 238 21 21 GLN C C 179.365 0.300 1 239 21 21 GLN CA C 59.075 0.300 1 240 21 21 GLN CB C 28.402 0.300 1 241 21 21 GLN CG C 34.007 0.300 1 242 21 21 GLN N N 118.397 0.300 1 243 21 21 GLN NE2 N 111.070 0.300 1 244 22 22 ILE H H 8.231 0.030 1 245 22 22 ILE HA H 3.981 0.030 1 246 22 22 ILE HB H 2.133 0.030 1 247 22 22 ILE HD1 H 0.784 0.030 1 248 22 22 ILE HG12 H 1.899 0.030 2 249 22 22 ILE HG13 H 1.171 0.030 2 250 22 22 ILE HG2 H 1.149 0.030 1 251 22 22 ILE C C 178.417 0.300 1 252 22 22 ILE CA C 65.647 0.300 1 253 22 22 ILE CB C 38.791 0.300 1 254 22 22 ILE CD1 C 15.493 0.300 1 255 22 22 ILE CG1 C 29.404 0.300 1 256 22 22 ILE CG2 C 19.065 0.300 1 257 22 22 ILE N N 121.761 0.300 1 258 23 23 LYS H H 8.466 0.030 1 259 23 23 LYS HA H 3.990 0.030 1 260 23 23 LYS HB2 H 2.040 0.030 1 261 23 23 LYS HB3 H 2.040 0.030 1 262 23 23 LYS HD2 H 1.726 0.030 1 263 23 23 LYS HD3 H 1.726 0.030 1 264 23 23 LYS HE2 H 2.987 0.030 2 265 23 23 LYS HE3 H 2.915 0.030 2 266 23 23 LYS HG2 H 1.585 0.030 2 267 23 23 LYS HG3 H 1.438 0.030 2 268 23 23 LYS C C 179.202 0.300 1 269 23 23 LYS CA C 60.547 0.300 1 270 23 23 LYS CB C 32.427 0.300 1 271 23 23 LYS CD C 29.836 0.300 1 272 23 23 LYS CE C 42.119 0.300 1 273 23 23 LYS CG C 25.835 0.300 1 274 23 23 LYS N N 120.819 0.300 1 275 24 24 GLU H H 8.207 0.030 1 276 24 24 GLU HA H 4.089 0.030 1 277 24 24 GLU HB2 H 2.169 0.030 2 278 24 24 GLU HB3 H 2.090 0.030 2 279 24 24 GLU HG2 H 2.420 0.030 2 280 24 24 GLU HG3 H 2.361 0.030 2 281 24 24 GLU C C 178.876 0.300 1 282 24 24 GLU CA C 58.996 0.300 1 283 24 24 GLU CB C 29.468 0.300 1 284 24 24 GLU CG C 36.219 0.300 1 285 24 24 GLU N N 118.425 0.300 1 286 25 25 PHE H H 8.386 0.030 1 287 25 25 PHE HA H 4.215 0.030 1 288 25 25 PHE HB2 H 3.279 0.030 2 289 25 25 PHE HB3 H 3.191 0.030 2 290 25 25 PHE HD1 H 6.697 0.030 1 291 25 25 PHE HD2 H 6.697 0.030 1 292 25 25 PHE HE1 H 7.091 0.030 1 293 25 25 PHE HE2 H 7.091 0.030 1 294 25 25 PHE HZ H 7.068 0.030 1 295 25 25 PHE C C 177.983 0.300 1 296 25 25 PHE CA C 61.628 0.300 1 297 25 25 PHE CB C 39.215 0.300 1 298 25 25 PHE CD1 C 131.538 0.300 1 299 25 25 PHE CD2 C 131.538 0.300 1 300 25 25 PHE CE1 C 131.573 0.300 1 301 25 25 PHE CE2 C 131.573 0.300 1 302 25 25 PHE CZ C 129.971 0.300 1 303 25 25 PHE N N 120.872 0.300 1 304 26 26 HIS H H 8.004 0.030 1 305 26 26 HIS HA H 4.236 0.030 1 306 26 26 HIS HB2 H 3.325 0.030 2 307 26 26 HIS HB3 H 2.967 0.030 2 308 26 26 HIS HD2 H 7.804 0.030 1 309 26 26 HIS HE1 H 8.208 0.030 1 310 26 26 HIS C C 175.844 0.300 1 311 26 26 HIS CA C 58.606 0.300 1 312 26 26 HIS CB C 30.438 0.300 1 313 26 26 HIS CD2 C 119.787 0.300 1 314 26 26 HIS CE1 C 139.321 0.300 1 315 26 26 HIS N N 115.727 0.300 1 316 27 27 ARG H H 7.786 0.030 1 317 27 27 ARG HA H 4.090 0.030 1 318 27 27 ARG HB2 H 1.909 0.030 1 319 27 27 ARG HB3 H 1.909 0.030 1 320 27 27 ARG HD2 H 3.194 0.030 2 321 27 27 ARG HD3 H 3.171 0.030 2 322 27 27 ARG HG2 H 1.694 0.030 2 323 27 27 ARG HG3 H 1.587 0.030 2 324 27 27 ARG C C 177.047 0.300 1 325 27 27 ARG CA C 58.246 0.300 1 326 27 27 ARG CB C 29.978 0.300 1 327 27 27 ARG CD C 43.477 0.300 1 328 27 27 ARG CG C 27.320 0.300 1 329 27 27 ARG N N 119.979 0.300 1 330 28 28 LYS H H 7.534 0.030 1 331 28 28 LYS HA H 4.130 0.030 1 332 28 28 LYS HB2 H 1.513 0.030 1 333 28 28 LYS HB3 H 1.513 0.030 1 334 28 28 LYS HD2 H 1.552 0.030 1 335 28 28 LYS HD3 H 1.552 0.030 1 336 28 28 LYS HE2 H 2.888 0.030 1 337 28 28 LYS HE3 H 2.888 0.030 1 338 28 28 LYS HG2 H 1.280 0.030 2 339 28 28 LYS HG3 H 1.210 0.030 2 340 28 28 LYS C C 175.918 0.300 1 341 28 28 LYS CA C 56.404 0.300 1 342 28 28 LYS CB C 33.115 0.300 1 343 28 28 LYS CD C 28.864 0.300 1 344 28 28 LYS CE C 42.073 0.300 1 345 28 28 LYS CG C 24.953 0.300 1 346 28 28 LYS N N 117.643 0.300 1 347 29 29 HIS H H 7.985 0.030 1 348 29 29 HIS HA H 4.860 0.030 1 349 29 29 HIS HB2 H 2.909 0.030 2 350 29 29 HIS HB3 H 2.640 0.030 2 351 29 29 HIS HD2 H 6.800 0.030 1 352 29 29 HIS HE1 H 8.233 0.030 1 353 29 29 HIS C C 181.405 0.300 1 354 29 29 HIS CA C 53.306 0.300 1 355 29 29 HIS CB C 28.793 0.300 1 356 29 29 HIS CD2 C 120.913 0.300 1 357 29 29 HIS CE1 C 136.588 0.300 1 358 29 29 HIS N N 118.478 0.300 1 359 30 30 PRO HA H 4.530 0.030 1 360 30 30 PRO HB2 H 2.339 0.030 2 361 30 30 PRO HB3 H 1.927 0.030 2 362 30 30 PRO HD2 H 3.503 0.030 2 363 30 30 PRO HD3 H 3.449 0.030 2 364 30 30 PRO HG2 H 1.990 0.030 1 365 30 30 PRO HG3 H 1.990 0.030 1 366 30 30 PRO C C 177.555 0.300 1 367 30 30 PRO CA C 64.371 0.300 1 368 30 30 PRO CB C 32.124 0.300 1 369 30 30 PRO CD C 50.371 0.300 1 370 30 30 PRO CG C 27.320 0.300 1 371 31 31 ASN H H 8.797 0.030 1 372 31 31 ASN HA H 4.796 0.030 1 373 31 31 ASN HB2 H 2.956 0.030 2 374 31 31 ASN HB3 H 2.819 0.030 2 375 31 31 ASN C C 174.764 0.300 1 376 31 31 ASN CA C 53.566 0.300 1 377 31 31 ASN CB C 38.946 0.300 1 378 31 31 ASN N N 117.048 0.300 1 379 32 32 GLU H H 7.901 0.030 1 380 32 32 GLU HA H 4.430 0.030 1 381 32 32 GLU HB2 H 2.139 0.030 2 382 32 32 GLU HB3 H 1.950 0.030 2 383 32 32 GLU HG2 H 2.264 0.030 1 384 32 32 GLU HG3 H 2.264 0.030 1 385 32 32 GLU C C 175.549 0.300 1 386 32 32 GLU CA C 56.242 0.300 1 387 32 32 GLU CB C 31.101 0.300 1 388 32 32 GLU CG C 36.479 0.300 1 389 32 32 GLU N N 120.315 0.300 1 390 33 33 ILE H H 8.134 0.030 1 391 33 33 ILE HA H 4.295 0.030 1 392 33 33 ILE HB H 1.911 0.030 1 393 33 33 ILE HD1 H 0.860 0.030 1 394 33 33 ILE HG12 H 1.504 0.030 2 395 33 33 ILE HG13 H 1.211 0.030 2 396 33 33 ILE HG2 H 0.925 0.030 1 397 33 33 ILE C C 175.972 0.300 1 398 33 33 ILE CA C 61.025 0.300 1 399 33 33 ILE CB C 38.959 0.300 1 400 33 33 ILE CD1 C 13.016 0.300 1 401 33 33 ILE CG1 C 27.262 0.300 1 402 33 33 ILE CG2 C 17.750 0.300 1 403 33 33 ILE N N 120.441 0.300 1 404 34 34 CYS H H 8.840 0.030 1 405 34 34 CYS HA H 4.381 0.030 1 406 34 34 CYS HB2 H 2.681 0.030 2 407 34 34 CYS HB3 H 2.631 0.030 2 408 34 34 CYS C C 174.113 0.300 1 409 34 34 CYS CA C 58.288 0.300 1 410 34 34 CYS CB C 28.229 0.300 1 411 34 34 CYS N N 123.752 0.300 1 412 35 35 VAL H H 8.102 0.030 1 413 35 35 VAL HA H 4.367 0.030 1 414 35 35 VAL HB H 2.082 0.030 1 415 35 35 VAL HG1 H 0.910 0.030 1 416 35 35 VAL HG2 H 0.929 0.030 1 417 35 35 VAL C C 173.905 0.300 1 418 35 35 VAL CA C 59.866 0.300 1 419 35 35 VAL CB C 32.591 0.300 1 420 35 35 VAL CG1 C 20.667 0.300 2 421 35 35 VAL CG2 C 21.204 0.300 2 422 35 35 VAL N N 124.650 0.300 1 423 36 36 PRO HA H 4.414 0.030 1 424 36 36 PRO HB2 H 2.246 0.030 2 425 36 36 PRO HB3 H 1.945 0.030 2 426 36 36 PRO HD2 H 3.796 0.030 2 427 36 36 PRO HD3 H 3.645 0.030 2 428 36 36 PRO HG2 H 2.024 0.030 2 429 36 36 PRO HG3 H 1.946 0.030 2 430 36 36 PRO C C 176.749 0.300 1 431 36 36 PRO CA C 63.131 0.300 1 432 36 36 PRO CB C 32.161 0.300 1 433 36 36 PRO CD C 50.989 0.300 1 434 36 36 PRO CG C 27.320 0.300 1 435 37 37 MET H H 8.406 0.030 1 436 37 37 MET HA H 4.442 0.030 1 437 37 37 MET HB2 H 2.119 0.030 2 438 37 37 MET HB3 H 1.987 0.030 2 439 37 37 MET HE H 2.057 0.030 1 440 37 37 MET HG2 H 2.611 0.030 2 441 37 37 MET HG3 H 2.549 0.030 2 442 37 37 MET C C 175.555 0.300 1 443 37 37 MET CA C 55.736 0.300 1 444 37 37 MET CB C 33.275 0.300 1 445 37 37 MET CE C 17.020 0.300 1 446 37 37 MET CG C 32.166 0.300 1 447 37 37 MET N N 120.856 0.300 1 448 38 38 SER H H 7.816 0.030 1 449 38 38 SER HA H 4.243 0.030 1 450 38 38 SER HB2 H 3.829 0.030 1 451 38 38 SER HB3 H 3.829 0.030 1 452 38 38 SER C C 178.388 0.300 1 453 38 38 SER CA C 59.893 0.300 1 454 38 38 SER CB C 64.990 0.300 1 455 38 38 SER N N 121.809 0.300 1 stop_ save_ save_chemical_shift_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $XWINNMR $NMRPipe $NMRView $Kujira $CYANA $OPALP stop_ loop_ _Experiment_label '3D 15N-separated NOESY' '3D 13C-separated NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name 'Splicing factor 3 subunit 1, SURP 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 40 2 ALA HA H 4.359 0.030 1 2 40 2 ALA HB H 1.391 0.030 1 3 40 2 ALA C C 177.459 0.300 1 4 40 2 ALA CA C 52.472 0.300 1 5 40 2 ALA CB C 19.386 0.300 1 6 41 3 GLN H H 8.409 0.030 1 7 41 3 GLN HA H 4.359 0.030 1 8 41 3 GLN HB2 H 1.977 0.030 1 9 41 3 GLN HB3 H 1.977 0.030 1 10 41 3 GLN HG2 H 2.320 0.030 1 11 41 3 GLN HG3 H 2.320 0.030 1 12 41 3 GLN C C 175.930 0.300 1 13 41 3 GLN CA C 55.852 0.300 1 14 41 3 GLN CB C 29.620 0.300 1 15 41 3 GLN CG C 33.906 0.300 1 16 41 3 GLN N N 120.195 0.300 1 17 42 4 VAL H H 8.229 0.030 1 18 42 4 VAL HA H 4.111 0.030 1 19 42 4 VAL HB H 2.034 0.030 1 20 42 4 VAL HG1 H 0.900 0.030 1 21 42 4 VAL HG2 H 0.962 0.030 1 22 42 4 VAL C C 175.930 0.300 1 23 42 4 VAL CA C 62.417 0.300 1 24 42 4 VAL CB C 32.836 0.300 1 25 42 4 VAL CG1 C 21.147 0.300 2 26 42 4 VAL CG2 C 21.005 0.300 2 27 42 4 VAL N N 122.616 0.300 1 28 43 5 ILE H H 8.248 0.030 1 29 43 5 ILE HA H 4.200 0.030 1 30 43 5 ILE HB H 1.842 0.030 1 31 43 5 ILE HD1 H 0.840 0.030 1 32 43 5 ILE HG12 H 1.470 0.030 2 33 43 5 ILE HG13 H 1.176 0.030 2 34 43 5 ILE HG2 H 0.840 0.030 1 35 43 5 ILE C C 175.930 0.300 1 36 43 5 ILE CA C 61.001 0.300 1 37 43 5 ILE CB C 38.654 0.300 1 38 43 5 ILE CD1 C 12.604 0.300 1 39 43 5 ILE CG1 C 27.320 0.300 1 40 43 5 ILE CG2 C 17.544 0.300 1 41 43 5 ILE N N 125.458 0.300 1 42 44 6 GLN H H 8.420 0.030 1 43 44 6 GLN HA H 4.353 0.030 1 44 44 6 GLN HB2 H 2.078 0.030 2 45 44 6 GLN HB3 H 1.977 0.030 2 46 44 6 GLN HG2 H 2.353 0.030 1 47 44 6 GLN HG3 H 2.353 0.030 1 48 44 6 GLN C C 175.737 0.300 1 49 44 6 GLN CA C 55.845 0.300 1 50 44 6 GLN CB C 29.620 0.300 1 51 44 6 GLN CG C 33.803 0.300 1 52 44 6 GLN N N 125.092 0.300 1 53 45 7 GLU H H 8.458 0.030 1 54 45 7 GLU HA H 4.331 0.030 1 55 45 7 GLU HB2 H 2.048 0.030 2 56 45 7 GLU HB3 H 1.939 0.030 2 57 45 7 GLU HG2 H 2.186 0.030 1 58 45 7 GLU HG3 H 2.186 0.030 1 59 45 7 GLU C C 176.334 0.300 1 60 45 7 GLU CA C 56.736 0.300 1 61 45 7 GLU CB C 30.642 0.300 1 62 45 7 GLU CG C 36.273 0.300 1 63 45 7 GLU N N 123.014 0.300 1 64 46 8 THR H H 8.226 0.030 1 65 46 8 THR HA H 4.320 0.030 1 66 46 8 THR HB H 4.139 0.030 1 67 46 8 THR HG2 H 1.180 0.030 1 68 46 8 THR C C 174.052 0.300 1 69 46 8 THR CA C 62.080 0.300 1 70 46 8 THR CB C 69.834 0.300 1 71 46 8 THR CG2 C 21.660 0.300 1 72 46 8 THR N N 116.390 0.300 1 73 47 9 ILE H H 8.199 0.030 1 74 47 9 ILE HA H 4.185 0.030 1 75 47 9 ILE HB H 1.843 0.030 1 76 47 9 ILE HD1 H 0.837 0.030 1 77 47 9 ILE HG12 H 1.459 0.030 2 78 47 9 ILE HG13 H 1.170 0.030 2 79 47 9 ILE HG2 H 0.889 0.030 1 80 47 9 ILE C C 175.791 0.300 1 81 47 9 ILE CA C 60.939 0.300 1 82 47 9 ILE CB C 38.654 0.300 1 83 47 9 ILE CD1 C 12.707 0.300 1 84 47 9 ILE CG1 C 27.320 0.300 1 85 47 9 ILE CG2 C 17.441 0.300 1 86 47 9 ILE N N 124.392 0.300 1 87 48 10 VAL H H 8.171 0.030 1 88 48 10 VAL HA H 4.422 0.030 1 89 48 10 VAL HB H 2.047 0.030 1 90 48 10 VAL HG1 H 0.933 0.030 1 91 48 10 VAL HG2 H 0.961 0.030 1 92 48 10 VAL C C 174.147 0.300 1 93 48 10 VAL CA C 59.751 0.300 1 94 48 10 VAL CB C 32.693 0.300 1 95 48 10 VAL CG1 C 20.585 0.300 2 96 48 10 VAL CG2 C 21.007 0.300 2 97 48 10 VAL N N 126.435 0.300 1 98 49 11 PRO HA H 4.948 0.030 1 99 49 11 PRO HB2 H 2.281 0.030 2 100 49 11 PRO HB3 H 1.906 0.030 2 101 49 11 PRO HD2 H 3.878 0.030 2 102 49 11 PRO HD3 H 3.681 0.030 2 103 49 11 PRO HG2 H 2.051 0.030 2 104 49 11 PRO HG3 H 1.954 0.030 2 105 49 11 PRO C C 176.532 0.300 1 106 49 11 PRO CA C 61.740 0.300 1 107 49 11 PRO CB C 32.202 0.300 1 108 49 11 PRO CD C 51.115 0.300 1 109 49 11 PRO CG C 27.320 0.300 1 110 50 12 LYS H H 8.288 0.030 1 111 50 12 LYS HA H 4.285 0.030 1 112 50 12 LYS HB2 H 1.810 0.030 2 113 50 12 LYS HB3 H 1.740 0.030 2 114 50 12 LYS HD2 H 1.690 0.030 1 115 50 12 LYS HD3 H 1.690 0.030 1 116 50 12 LYS HE2 H 2.981 0.030 1 117 50 12 LYS HE3 H 2.981 0.030 1 118 50 12 LYS HG2 H 1.459 0.030 1 119 50 12 LYS HG3 H 1.459 0.030 1 120 50 12 LYS C C 176.906 0.300 1 121 50 12 LYS CA C 56.181 0.300 1 122 50 12 LYS CB C 33.301 0.300 1 123 50 12 LYS CD C 29.070 0.300 1 124 50 12 LYS CE C 42.242 0.300 1 125 50 12 LYS CG C 24.701 0.300 1 126 50 12 LYS N N 121.850 0.300 1 127 51 13 GLU H H 8.283 0.030 1 128 51 13 GLU HA H 4.579 0.030 1 129 51 13 GLU HB2 H 2.021 0.030 2 130 51 13 GLU HB3 H 1.870 0.030 2 131 51 13 GLU HG2 H 2.269 0.030 1 132 51 13 GLU HG3 H 2.269 0.030 1 133 51 13 GLU C C 177.310 0.300 1 134 51 13 GLU CA C 54.265 0.300 1 135 51 13 GLU CB C 29.635 0.300 1 136 51 13 GLU CG C 35.874 0.300 1 137 51 13 GLU N N 123.039 0.300 1 138 52 14 PRO HA H 5.124 0.030 1 139 52 14 PRO HB2 H 2.375 0.030 2 140 52 14 PRO HB3 H 2.039 0.030 2 141 52 14 PRO HD2 H 3.657 0.030 2 142 52 14 PRO HD3 H 3.785 0.030 2 143 52 14 PRO HG2 H 2.049 0.030 1 144 52 14 PRO HG3 H 2.049 0.030 1 145 52 14 PRO CA C 61.943 0.300 1 146 52 14 PRO CB C 32.954 0.300 1 147 52 14 PRO CD C 50.534 0.300 1 148 52 14 PRO CG C 29.286 0.300 1 149 53 15 PRO HA H 4.945 0.030 1 150 53 15 PRO HB2 H 2.391 0.030 2 151 53 15 PRO HB3 H 2.070 0.030 2 152 53 15 PRO HD2 H 3.710 0.030 2 153 53 15 PRO HD3 H 3.501 0.030 2 154 53 15 PRO HG2 H 1.887 0.030 2 155 53 15 PRO HG3 H 1.808 0.030 2 156 53 15 PRO CA C 61.740 0.300 1 157 53 15 PRO CB C 32.771 0.300 1 158 53 15 PRO CD C 50.083 0.300 1 159 53 15 PRO CG C 27.452 0.300 1 160 54 16 PRO HA H 4.364 0.030 1 161 54 16 PRO HB2 H 2.220 0.030 2 162 54 16 PRO HB3 H 1.769 0.030 2 163 54 16 PRO HD2 H 3.791 0.030 2 164 54 16 PRO HD3 H 3.627 0.030 2 165 54 16 PRO HG2 H 1.950 0.030 1 166 54 16 PRO HG3 H 1.950 0.030 1 167 54 16 PRO C C 176.905 0.300 1 168 54 16 PRO CA C 63.147 0.300 1 169 54 16 PRO CB C 31.982 0.300 1 170 54 16 PRO CD C 50.371 0.300 1 171 54 16 PRO CG C 27.423 0.300 1 172 55 17 GLU H H 8.430 0.030 1 173 55 17 GLU HA H 4.147 0.030 1 174 55 17 GLU HB2 H 1.912 0.030 2 175 55 17 GLU HB3 H 1.855 0.030 2 176 55 17 GLU HG2 H 2.183 0.030 2 177 55 17 GLU HG3 H 2.100 0.030 2 178 55 17 GLU C C 176.111 0.300 1 179 55 17 GLU CA C 56.912 0.300 1 180 55 17 GLU CB C 30.080 0.300 1 181 55 17 GLU CG C 36.170 0.300 1 182 55 17 GLU N N 120.031 0.300 1 183 56 18 PHE H H 7.988 0.030 1 184 56 18 PHE HA H 4.570 0.030 1 185 56 18 PHE HB2 H 3.050 0.030 2 186 56 18 PHE HB3 H 2.950 0.030 2 187 56 18 PHE HD1 H 7.159 0.030 1 188 56 18 PHE HD2 H 7.159 0.030 1 189 56 18 PHE HE1 H 7.232 0.030 1 190 56 18 PHE HE2 H 7.232 0.030 1 191 56 18 PHE C C 175.206 0.300 1 192 56 18 PHE CA C 57.515 0.300 1 193 56 18 PHE CB C 39.776 0.300 1 194 56 18 PHE CD1 C 131.810 0.300 1 195 56 18 PHE CD2 C 131.810 0.300 1 196 56 18 PHE CE1 C 129.849 0.300 1 197 56 18 PHE CE2 C 129.849 0.300 1 198 56 18 PHE N N 119.726 0.300 1 199 57 19 GLU H H 8.109 0.030 1 200 57 19 GLU HA H 4.183 0.030 1 201 57 19 GLU HB2 H 1.853 0.030 2 202 57 19 GLU HB3 H 1.798 0.030 2 203 57 19 GLU HG2 H 2.107 0.030 2 204 57 19 GLU HG3 H 2.031 0.030 2 205 57 19 GLU C C 175.374 0.300 1 206 57 19 GLU CA C 56.513 0.300 1 207 57 19 GLU CB C 30.546 0.300 1 208 57 19 GLU CG C 36.087 0.300 1 209 57 19 GLU N N 122.328 0.300 1 210 58 20 PHE H H 8.041 0.030 1 211 58 20 PHE HA H 4.576 0.030 1 212 58 20 PHE HB2 H 3.081 0.030 2 213 58 20 PHE HB3 H 2.997 0.030 2 214 58 20 PHE HD1 H 7.225 0.030 1 215 58 20 PHE HD2 H 7.225 0.030 1 216 58 20 PHE C C 175.108 0.300 1 217 58 20 PHE CA C 57.599 0.300 1 218 58 20 PHE CB C 39.706 0.300 1 219 58 20 PHE CD1 C 131.864 0.300 1 220 58 20 PHE CD2 C 131.864 0.300 1 221 58 20 PHE N N 120.912 0.300 1 222 59 21 ILE H H 7.940 0.030 1 223 59 21 ILE HA H 4.081 0.030 1 224 59 21 ILE HB H 1.757 0.030 1 225 59 21 ILE HD1 H 0.742 0.030 1 226 59 21 ILE HG12 H 1.394 0.030 2 227 59 21 ILE HG13 H 1.091 0.030 2 228 59 21 ILE HG2 H 0.850 0.030 1 229 59 21 ILE C C 174.969 0.300 1 230 59 21 ILE CA C 60.622 0.300 1 231 59 21 ILE CB C 38.789 0.300 1 232 59 21 ILE CD1 C 13.156 0.300 1 233 59 21 ILE CG1 C 27.217 0.300 1 234 59 21 ILE CG2 C 17.441 0.300 1 235 59 21 ILE N N 123.402 0.300 1 236 60 22 ALA H H 8.160 0.030 1 237 60 22 ALA HA H 4.228 0.030 1 238 60 22 ALA HB H 1.354 0.030 1 239 60 22 ALA C C 176.185 0.300 1 240 60 22 ALA CA C 52.236 0.300 1 241 60 22 ALA CB C 19.535 0.300 1 242 60 22 ALA N N 128.644 0.300 1 243 61 23 ASP H H 8.218 0.030 1 244 61 23 ASP HA H 4.747 0.030 1 245 61 23 ASP HB2 H 2.533 0.030 2 246 61 23 ASP HB3 H 2.432 0.030 2 247 61 23 ASP C C 173.881 0.300 1 248 61 23 ASP CA C 52.577 0.300 1 249 61 23 ASP CB C 40.136 0.300 1 250 61 23 ASP N N 120.496 0.300 1 251 62 24 PRO HA H 4.499 0.030 1 252 62 24 PRO HB2 H 1.750 0.030 2 253 62 24 PRO HB3 H 2.132 0.030 2 254 62 24 PRO HD2 H 3.313 0.030 2 255 62 24 PRO HD3 H 3.492 0.030 2 256 62 24 PRO HG2 H 1.714 0.030 2 257 62 24 PRO HG3 H 1.640 0.030 2 258 62 24 PRO CA C 61.380 0.300 1 259 62 24 PRO CB C 30.776 0.300 1 260 62 24 PRO CD C 50.208 0.300 1 261 62 24 PRO CG C 27.361 0.300 1 262 63 25 PRO HA H 4.433 0.030 1 263 63 25 PRO HB2 H 2.245 0.030 2 264 63 25 PRO HB3 H 1.902 0.030 2 265 63 25 PRO HD2 H 3.670 0.030 2 266 63 25 PRO HD3 H 3.504 0.030 2 267 63 25 PRO HG2 H 1.925 0.030 1 268 63 25 PRO HG3 H 1.925 0.030 1 269 63 25 PRO C C 176.942 0.300 1 270 63 25 PRO CA C 63.187 0.300 1 271 63 25 PRO CB C 32.059 0.300 1 272 63 25 PRO CD C 50.371 0.300 1 273 63 25 PRO CG C 27.217 0.300 1 274 64 26 SER H H 8.190 0.030 1 275 64 26 SER HA H 4.337 0.030 1 276 64 26 SER HB2 H 3.906 0.030 1 277 64 26 SER HB3 H 3.906 0.030 1 278 64 26 SER C C 173.666 0.300 1 279 64 26 SER CA C 58.566 0.300 1 280 64 26 SER CB C 63.094 0.300 1 281 64 26 SER N N 113.120 0.300 1 282 65 27 ILE H H 7.611 0.030 1 283 65 27 ILE HA H 4.430 0.030 1 284 65 27 ILE HB H 1.791 0.030 1 285 65 27 ILE HD1 H 0.721 0.030 1 286 65 27 ILE HG12 H 1.451 0.030 2 287 65 27 ILE HG13 H 1.291 0.030 2 288 65 27 ILE HG2 H 0.938 0.030 1 289 65 27 ILE C C 175.066 0.300 1 290 65 27 ILE CA C 59.754 0.300 1 291 65 27 ILE CB C 39.412 0.300 1 292 65 27 ILE CD1 C 12.773 0.300 1 293 65 27 ILE CG1 C 27.114 0.300 1 294 65 27 ILE CG2 C 17.671 0.300 1 295 65 27 ILE N N 121.543 0.300 1 296 66 28 SER H H 9.041 0.030 1 297 66 28 SER HA H 4.503 0.030 1 298 66 28 SER HB2 H 4.322 0.030 2 299 66 28 SER HB3 H 4.089 0.030 2 300 66 28 SER C C 174.154 0.300 1 301 66 28 SER CA C 57.922 0.300 1 302 66 28 SER CB C 65.134 0.300 1 303 66 28 SER N N 122.629 0.300 1 304 67 29 ALA H H 8.758 0.030 1 305 67 29 ALA HA H 4.057 0.030 1 306 67 29 ALA HB H 1.583 0.030 1 307 67 29 ALA C C 179.232 0.300 1 308 67 29 ALA CA C 55.250 0.300 1 309 67 29 ALA CB C 18.598 0.300 1 310 67 29 ALA N N 124.764 0.300 1 311 68 30 PHE H H 8.068 0.030 1 312 68 30 PHE HA H 3.370 0.030 1 313 68 30 PHE HB2 H 2.709 0.030 1 314 68 30 PHE HB3 H 2.709 0.030 1 315 68 30 PHE HD1 H 7.112 0.030 1 316 68 30 PHE HD2 H 7.112 0.030 1 317 68 30 PHE HE1 H 7.151 0.030 1 318 68 30 PHE HE2 H 7.151 0.030 1 319 68 30 PHE HZ H 7.071 0.030 1 320 68 30 PHE C C 175.308 0.300 1 321 68 30 PHE CA C 60.130 0.300 1 322 68 30 PHE CB C 39.145 0.300 1 323 68 30 PHE CD1 C 131.867 0.300 1 324 68 30 PHE CD2 C 131.867 0.300 1 325 68 30 PHE CZ C 129.251 0.300 1 326 68 30 PHE N N 117.510 0.300 1 327 69 31 ASP H H 7.509 0.030 1 328 69 31 ASP HA H 3.855 0.030 1 329 69 31 ASP HB2 H 2.748 0.030 2 330 69 31 ASP HB3 H 2.369 0.030 2 331 69 31 ASP C C 178.562 0.300 1 332 69 31 ASP CA C 57.434 0.300 1 333 69 31 ASP CB C 40.193 0.300 1 334 69 31 ASP N N 118.682 0.300 1 335 70 32 LEU H H 8.093 0.030 1 336 70 32 LEU HA H 3.860 0.030 1 337 70 32 LEU HB2 H 1.681 0.030 1 338 70 32 LEU HB3 H 1.681 0.030 1 339 70 32 LEU HD1 H 0.788 0.030 1 340 70 32 LEU HD2 H 0.892 0.030 1 341 70 32 LEU HG H 1.655 0.030 1 342 70 32 LEU C C 176.328 0.300 1 343 70 32 LEU CA C 58.112 0.300 1 344 70 32 LEU CB C 41.388 0.300 1 345 70 32 LEU CD1 C 24.206 0.300 2 346 70 32 LEU CD2 C 24.735 0.300 2 347 70 32 LEU CG C 26.720 0.300 1 348 70 32 LEU N N 118.731 0.300 1 349 71 33 ASP H H 7.947 0.030 1 350 71 33 ASP HA H 4.570 0.030 1 351 71 33 ASP HB2 H 2.897 0.030 2 352 71 33 ASP HB3 H 2.518 0.030 2 353 71 33 ASP CA C 57.566 0.300 1 354 71 33 ASP CB C 40.869 0.300 1 355 71 33 ASP N N 119.857 0.300 1 356 72 34 VAL H H 7.847 0.030 1 357 72 34 VAL HA H 3.341 0.030 1 358 72 34 VAL HB H 1.833 0.030 1 359 72 34 VAL HG1 H 0.330 0.030 1 360 72 34 VAL HG2 H 0.574 0.030 1 361 72 34 VAL CA C 67.521 0.300 1 362 72 34 VAL CB C 31.263 0.300 1 363 72 34 VAL CG1 C 23.178 0.300 2 364 72 34 VAL CG2 C 21.676 0.300 2 365 72 34 VAL N N 121.258 0.300 1 366 73 35 VAL H H 8.172 0.030 1 367 73 35 VAL HA H 3.058 0.030 1 368 73 35 VAL HB H 2.070 0.030 1 369 73 35 VAL HG1 H 0.850 0.030 1 370 73 35 VAL HG2 H 0.020 0.030 1 371 73 35 VAL CA C 66.922 0.300 1 372 73 35 VAL CB C 30.845 0.300 1 373 73 35 VAL CG1 C 22.087 0.300 2 374 73 35 VAL CG2 C 21.125 0.300 2 375 73 35 VAL N N 124.188 0.300 1 376 74 36 LYS H H 8.385 0.030 1 377 74 36 LYS HA H 4.017 0.030 1 378 74 36 LYS HB2 H 1.984 0.030 1 379 74 36 LYS HB3 H 1.984 0.030 1 380 74 36 LYS HD2 H 1.740 0.030 1 381 74 36 LYS HD3 H 1.740 0.030 1 382 74 36 LYS HE2 H 2.983 0.030 1 383 74 36 LYS HE3 H 2.983 0.030 1 384 74 36 LYS HG2 H 1.750 0.030 2 385 74 36 LYS HG3 H 1.502 0.030 2 386 74 36 LYS C C 178.614 0.300 1 387 74 36 LYS CA C 61.109 0.300 1 388 74 36 LYS CB C 32.827 0.300 1 389 74 36 LYS CD C 30.099 0.300 1 390 74 36 LYS CE C 42.357 0.300 1 391 74 36 LYS CG C 26.624 0.300 1 392 74 36 LYS N N 119.070 0.300 1 393 75 37 LEU H H 8.159 0.030 1 394 75 37 LEU HA H 4.201 0.030 1 395 75 37 LEU HB2 H 1.953 0.030 2 396 75 37 LEU HB3 H 1.656 0.030 2 397 75 37 LEU HD1 H 0.486 0.030 1 398 75 37 LEU HD2 H 1.062 0.030 1 399 75 37 LEU HG H 1.748 0.030 1 400 75 37 LEU C C 179.214 0.300 1 401 75 37 LEU CA C 58.288 0.300 1 402 75 37 LEU CB C 42.685 0.300 1 403 75 37 LEU CD1 C 26.497 0.300 2 404 75 37 LEU CD2 C 24.593 0.300 2 405 75 37 LEU CG C 26.883 0.300 1 406 75 37 LEU N N 119.804 0.300 1 407 76 38 THR H H 8.563 0.030 1 408 76 38 THR HA H 4.158 0.030 1 409 76 38 THR HB H 4.712 0.030 1 410 76 38 THR HG2 H 1.469 0.030 1 411 76 38 THR C C 176.564 0.300 1 412 76 38 THR CA C 68.600 0.300 1 413 76 38 THR CB C 68.599 0.300 1 414 76 38 THR CG2 C 22.570 0.300 1 415 76 38 THR N N 115.187 0.300 1 416 77 39 ALA H H 9.261 0.030 1 417 77 39 ALA HA H 4.100 0.030 1 418 77 39 ALA HB H 1.487 0.030 1 419 77 39 ALA C C 179.118 0.300 1 420 77 39 ALA CA C 55.837 0.300 1 421 77 39 ALA CB C 19.517 0.300 1 422 77 39 ALA N N 123.953 0.300 1 423 78 40 GLN H H 8.320 0.030 1 424 78 40 GLN HA H 3.550 0.030 1 425 78 40 GLN HB2 H 2.221 0.030 2 426 78 40 GLN HB3 H 1.911 0.030 2 427 78 40 GLN HE21 H 6.500 0.030 2 428 78 40 GLN HE22 H 6.633 0.030 2 429 78 40 GLN HG2 H 2.205 0.030 2 430 78 40 GLN HG3 H 1.529 0.030 2 431 78 40 GLN C C 178.185 0.300 1 432 78 40 GLN CA C 59.597 0.300 1 433 78 40 GLN CB C 28.152 0.300 1 434 78 40 GLN CG C 33.807 0.300 1 435 78 40 GLN N N 117.691 0.300 1 436 78 40 GLN NE2 N 108.680 0.300 1 437 79 41 PHE H H 8.298 0.030 1 438 79 41 PHE HA H 3.649 0.030 1 439 79 41 PHE HB2 H 3.020 0.030 2 440 79 41 PHE HB3 H 1.920 0.030 2 441 79 41 PHE HD1 H 7.203 0.030 1 442 79 41 PHE HD2 H 7.203 0.030 1 443 79 41 PHE HE1 H 7.452 0.030 1 444 79 41 PHE HE2 H 7.452 0.030 1 445 79 41 PHE HZ H 7.141 0.030 1 446 79 41 PHE C C 178.791 0.300 1 447 79 41 PHE CA C 62.424 0.300 1 448 79 41 PHE CB C 39.266 0.300 1 449 79 41 PHE CD1 C 131.225 0.300 1 450 79 41 PHE CD2 C 131.225 0.300 1 451 79 41 PHE CE1 C 132.386 0.300 1 452 79 41 PHE CE2 C 132.386 0.300 1 453 79 41 PHE CZ C 129.166 0.300 1 454 79 41 PHE N N 118.961 0.300 1 455 80 42 VAL H H 9.028 0.030 1 456 80 42 VAL HA H 3.658 0.030 1 457 80 42 VAL HB H 2.305 0.030 1 458 80 42 VAL HG1 H 1.393 0.030 1 459 80 42 VAL HG2 H 1.069 0.030 1 460 80 42 VAL C C 178.242 0.300 1 461 80 42 VAL CA C 66.732 0.300 1 462 80 42 VAL CB C 31.816 0.300 1 463 80 42 VAL CG1 C 25.088 0.300 2 464 80 42 VAL CG2 C 22.381 0.300 2 465 80 42 VAL N N 122.330 0.300 1 466 81 43 ALA H H 8.630 0.030 1 467 81 43 ALA HA H 3.917 0.030 1 468 81 43 ALA HB H 1.471 0.030 1 469 81 43 ALA C C 179.220 0.300 1 470 81 43 ALA CA C 55.230 0.300 1 471 81 43 ALA CB C 19.669 0.300 1 472 81 43 ALA N N 123.410 0.300 1 473 82 44 ARG H H 7.215 0.030 1 474 82 44 ARG HA H 4.081 0.030 1 475 82 44 ARG HB2 H 1.579 0.030 2 476 82 44 ARG HB3 H 1.479 0.030 2 477 82 44 ARG HD2 H 2.928 0.030 2 478 82 44 ARG HD3 H 2.832 0.030 2 479 82 44 ARG HG2 H 1.501 0.030 2 480 82 44 ARG HG3 H 1.360 0.030 2 481 82 44 ARG C C 177.173 0.300 1 482 82 44 ARG CA C 58.246 0.300 1 483 82 44 ARG CB C 31.378 0.300 1 484 82 44 ARG CD C 43.282 0.300 1 485 82 44 ARG CG C 27.350 0.300 1 486 82 44 ARG N N 113.544 0.300 1 487 83 45 ASN H H 7.813 0.030 1 488 83 45 ASN HA H 4.774 0.030 1 489 83 45 ASN HB2 H 2.717 0.030 2 490 83 45 ASN HB3 H 2.250 0.030 2 491 83 45 ASN HD21 H 6.080 0.030 2 492 83 45 ASN HD22 H 7.868 0.030 2 493 83 45 ASN C C 176.117 0.300 1 494 83 45 ASN CA C 54.638 0.300 1 495 83 45 ASN CB C 41.562 0.300 1 496 83 45 ASN N N 113.608 0.300 1 497 83 45 ASN ND2 N 113.924 0.300 1 498 84 46 GLY H H 8.463 0.030 1 499 84 46 GLY HA2 H 4.470 0.030 2 500 84 46 GLY HA3 H 4.089 0.030 2 501 84 46 GLY C C 174.743 0.300 1 502 84 46 GLY CA C 45.056 0.300 1 503 84 46 GLY N N 109.330 0.300 1 504 85 47 ARG H H 8.640 0.030 1 505 85 47 ARG HA H 4.047 0.030 1 506 85 47 ARG HB2 H 1.971 0.030 1 507 85 47 ARG HB3 H 1.971 0.030 1 508 85 47 ARG HD2 H 3.280 0.030 1 509 85 47 ARG HD3 H 3.280 0.030 1 510 85 47 ARG HG2 H 1.793 0.030 2 511 85 47 ARG HG3 H 1.770 0.030 2 512 85 47 ARG C C 178.580 0.300 1 513 85 47 ARG CA C 59.234 0.300 1 514 85 47 ARG CB C 30.154 0.300 1 515 85 47 ARG CD C 43.111 0.300 1 516 85 47 ARG CG C 27.678 0.300 1 517 85 47 ARG N N 118.725 0.300 1 518 86 48 GLN H H 9.163 0.030 1 519 86 48 GLN HA H 4.252 0.030 1 520 86 48 GLN HB2 H 2.261 0.030 2 521 86 48 GLN HB3 H 2.182 0.030 2 522 86 48 GLN HE21 H 6.972 0.030 2 523 86 48 GLN HE22 H 7.564 0.030 2 524 86 48 GLN HG2 H 2.522 0.030 1 525 86 48 GLN HG3 H 2.522 0.030 1 526 86 48 GLN C C 178.109 0.300 1 527 86 48 GLN CA C 59.138 0.300 1 528 86 48 GLN CB C 27.659 0.300 1 529 86 48 GLN CG C 33.906 0.300 1 530 86 48 GLN N N 119.255 0.300 1 531 86 48 GLN NE2 N 111.785 0.300 1 532 87 49 PHE H H 7.420 0.030 1 533 87 49 PHE HA H 4.139 0.030 1 534 87 49 PHE HB2 H 3.149 0.030 2 535 87 49 PHE HB3 H 2.979 0.030 2 536 87 49 PHE HD1 H 6.811 0.030 1 537 87 49 PHE HD2 H 6.811 0.030 1 538 87 49 PHE HE1 H 6.290 0.030 1 539 87 49 PHE HE2 H 6.290 0.030 1 540 87 49 PHE HZ H 5.885 0.030 1 541 87 49 PHE C C 176.353 0.300 1 542 87 49 PHE CA C 61.284 0.300 1 543 87 49 PHE CB C 40.094 0.300 1 544 87 49 PHE CD1 C 131.639 0.300 1 545 87 49 PHE CD2 C 131.639 0.300 1 546 87 49 PHE CE1 C 130.552 0.300 1 547 87 49 PHE CE2 C 130.552 0.300 1 548 87 49 PHE CZ C 129.488 0.300 1 549 87 49 PHE N N 120.344 0.300 1 550 88 50 LEU H H 7.457 0.030 1 551 88 50 LEU HA H 3.901 0.030 1 552 88 50 LEU HB2 H 2.300 0.030 2 553 88 50 LEU HB3 H 1.740 0.030 2 554 88 50 LEU HD1 H 1.161 0.030 1 555 88 50 LEU HD2 H 1.176 0.030 1 556 88 50 LEU HG H 1.744 0.030 1 557 88 50 LEU C C 177.753 0.300 1 558 88 50 LEU CA C 58.366 0.300 1 559 88 50 LEU CB C 41.936 0.300 1 560 88 50 LEU CD1 C 25.822 0.300 2 561 88 50 LEU CD2 C 24.591 0.300 2 562 88 50 LEU CG C 27.407 0.300 1 563 88 50 LEU N N 118.774 0.300 1 564 89 51 THR H H 8.639 0.030 1 565 89 51 THR HA H 3.876 0.030 1 566 89 51 THR HB H 4.230 0.030 1 567 89 51 THR HG2 H 1.263 0.030 1 568 89 51 THR C C 177.119 0.300 1 569 89 51 THR CA C 66.665 0.300 1 570 89 51 THR CB C 68.798 0.300 1 571 89 51 THR CG2 C 21.806 0.300 1 572 89 51 THR N N 113.612 0.300 1 573 90 52 GLN H H 7.665 0.030 1 574 90 52 GLN HA H 4.000 0.030 1 575 90 52 GLN HB2 H 2.130 0.030 2 576 90 52 GLN HB3 H 1.799 0.030 2 577 90 52 GLN HE21 H 7.088 0.030 2 578 90 52 GLN HE22 H 6.750 0.030 2 579 90 52 GLN HG2 H 2.480 0.030 2 580 90 52 GLN HG3 H 2.190 0.030 2 581 90 52 GLN C C 178.284 0.300 1 582 90 52 GLN CA C 59.016 0.300 1 583 90 52 GLN CB C 29.175 0.300 1 584 90 52 GLN CG C 34.729 0.300 1 585 90 52 GLN N N 120.540 0.300 1 586 90 52 GLN NE2 N 110.341 0.300 1 587 91 53 LEU H H 8.440 0.030 1 588 91 53 LEU HA H 3.725 0.030 1 589 91 53 LEU HB2 H 1.597 0.030 2 590 91 53 LEU HB3 H 0.898 0.030 2 591 91 53 LEU HD1 H 0.475 0.030 1 592 91 53 LEU HD2 H 0.329 0.030 1 593 91 53 LEU HG H 0.886 0.030 1 594 91 53 LEU C C 177.747 0.300 1 595 91 53 LEU CA C 58.189 0.300 1 596 91 53 LEU CB C 41.715 0.300 1 597 91 53 LEU CD1 C 26.960 0.300 2 598 91 53 LEU CD2 C 23.978 0.300 2 599 91 53 LEU CG C 26.481 0.300 1 600 91 53 LEU N N 122.599 0.300 1 601 92 54 MET H H 8.295 0.030 1 602 92 54 MET HA H 3.566 0.030 1 603 92 54 MET HB2 H 2.110 0.030 2 604 92 54 MET HB3 H 2.021 0.030 2 605 92 54 MET HE H 2.032 0.030 1 606 92 54 MET HG2 H 2.689 0.030 2 607 92 54 MET HG3 H 2.259 0.030 2 608 92 54 MET C C 178.055 0.300 1 609 92 54 MET CA C 59.340 0.300 1 610 92 54 MET CB C 33.448 0.300 1 611 92 54 MET CE C 16.689 0.300 1 612 92 54 MET CG C 33.359 0.300 1 613 92 54 MET N N 115.551 0.300 1 614 93 55 GLN H H 7.309 0.030 1 615 93 55 GLN HA H 4.031 0.030 1 616 93 55 GLN HB2 H 2.091 0.030 1 617 93 55 GLN HB3 H 2.091 0.030 1 618 93 55 GLN HE21 H 6.725 0.030 2 619 93 55 GLN HE22 H 7.300 0.030 2 620 93 55 GLN HG2 H 2.470 0.030 2 621 93 55 GLN HG3 H 2.333 0.030 2 622 93 55 GLN C C 178.683 0.300 1 623 93 55 GLN CA C 58.386 0.300 1 624 93 55 GLN CB C 28.560 0.300 1 625 93 55 GLN CG C 33.847 0.300 1 626 93 55 GLN N N 115.934 0.300 1 627 93 55 GLN NE2 N 111.052 0.300 1 628 94 56 LYS H H 7.977 0.030 1 629 94 56 LYS HA H 3.963 0.030 1 630 94 56 LYS HB2 H 1.821 0.030 2 631 94 56 LYS HB3 H 1.776 0.030 2 632 94 56 LYS HD2 H 1.521 0.030 2 633 94 56 LYS HD3 H 1.235 0.030 2 634 94 56 LYS HE2 H 2.367 0.030 1 635 94 56 LYS HE3 H 2.367 0.030 1 636 94 56 LYS HG2 H 1.392 0.030 2 637 94 56 LYS HG3 H 1.334 0.030 2 638 94 56 LYS C C 179.124 0.300 1 639 94 56 LYS CA C 59.239 0.300 1 640 94 56 LYS CB C 33.398 0.300 1 641 94 56 LYS CD C 29.132 0.300 1 642 94 56 LYS CE C 41.721 0.300 1 643 94 56 LYS CG C 25.166 0.300 1 644 94 56 LYS N N 119.767 0.300 1 645 95 57 GLU H H 7.940 0.030 1 646 95 57 GLU HA H 4.873 0.030 1 647 95 57 GLU HB2 H 2.406 0.030 2 648 95 57 GLU HB3 H 1.039 0.030 2 649 95 57 GLU HG2 H 1.824 0.030 2 650 95 57 GLU HG3 H 1.148 0.030 2 651 95 57 GLU C C 177.765 0.300 1 652 95 57 GLU CA C 54.724 0.300 1 653 95 57 GLU CB C 28.447 0.300 1 654 95 57 GLU CG C 33.906 0.300 1 655 95 57 GLU N N 114.560 0.300 1 656 96 58 GLN H H 6.881 0.030 1 657 96 58 GLN HA H 4.050 0.030 1 658 96 58 GLN HB2 H 2.270 0.030 2 659 96 58 GLN HB3 H 2.168 0.030 2 660 96 58 GLN HE21 H 6.819 0.030 2 661 96 58 GLN HE22 H 7.560 0.030 2 662 96 58 GLN HG2 H 2.414 0.030 2 663 96 58 GLN HG3 H 2.261 0.030 2 664 96 58 GLN C C 176.316 0.300 1 665 96 58 GLN CA C 58.834 0.300 1 666 96 58 GLN CB C 29.250 0.300 1 667 96 58 GLN CG C 33.561 0.300 1 668 96 58 GLN N N 119.304 0.300 1 669 96 58 GLN NE2 N 111.377 0.300 1 670 97 59 ARG H H 8.457 0.030 1 671 97 59 ARG HA H 4.471 0.030 1 672 97 59 ARG HB2 H 2.134 0.030 2 673 97 59 ARG HB3 H 1.639 0.030 2 674 97 59 ARG HD2 H 3.199 0.030 1 675 97 59 ARG HD3 H 3.199 0.030 1 676 97 59 ARG HG2 H 1.611 0.030 2 677 97 59 ARG HG3 H 1.562 0.030 2 678 97 59 ARG C C 174.916 0.300 1 679 97 59 ARG CA C 55.230 0.300 1 680 97 59 ARG CB C 29.363 0.300 1 681 97 59 ARG CD C 43.168 0.300 1 682 97 59 ARG CG C 27.770 0.300 1 683 97 59 ARG N N 116.026 0.300 1 684 98 60 ASN H H 7.816 0.030 1 685 98 60 ASN HA H 4.889 0.030 1 686 98 60 ASN HB2 H 3.673 0.030 2 687 98 60 ASN HB3 H 2.879 0.030 2 688 98 60 ASN HD21 H 7.134 0.030 2 689 98 60 ASN HD22 H 8.500 0.030 2 690 98 60 ASN C C 176.280 0.300 1 691 98 60 ASN CA C 51.679 0.300 1 692 98 60 ASN CB C 39.419 0.300 1 693 98 60 ASN N N 119.295 0.300 1 694 98 60 ASN ND2 N 111.997 0.300 1 695 99 61 TYR H H 8.498 0.030 1 696 99 61 TYR HA H 4.541 0.030 1 697 99 61 TYR HB2 H 3.219 0.030 2 698 99 61 TYR HB3 H 3.135 0.030 2 699 99 61 TYR HD1 H 7.262 0.030 1 700 99 61 TYR HD2 H 7.262 0.030 1 701 99 61 TYR HE1 H 6.952 0.030 1 702 99 61 TYR HE2 H 6.952 0.030 1 703 99 61 TYR C C 176.835 0.300 1 704 99 61 TYR CA C 59.167 0.300 1 705 99 61 TYR CB C 37.480 0.300 1 706 99 61 TYR CD1 C 133.424 0.300 1 707 99 61 TYR CD2 C 133.424 0.300 1 708 99 61 TYR CE1 C 118.361 0.300 1 709 99 61 TYR CE2 C 118.361 0.300 1 710 99 61 TYR N N 126.471 0.300 1 711 100 62 GLN H H 7.427 0.030 1 712 100 62 GLN HA H 3.729 0.030 1 713 100 62 GLN HB2 H 1.720 0.030 2 714 100 62 GLN HB3 H 1.573 0.030 2 715 100 62 GLN HE21 H 6.584 0.030 2 716 100 62 GLN HE22 H 7.229 0.030 2 717 100 62 GLN HG2 H 1.923 0.030 2 718 100 62 GLN HG3 H 1.786 0.030 2 719 100 62 GLN C C 176.111 0.300 1 720 100 62 GLN CA C 57.347 0.300 1 721 100 62 GLN CB C 29.380 0.300 1 722 100 62 GLN CG C 34.143 0.300 1 723 100 62 GLN N N 120.768 0.300 1 724 100 62 GLN NE2 N 111.814 0.300 1 725 101 63 PHE H H 7.527 0.030 1 726 101 63 PHE HA H 4.230 0.030 1 727 101 63 PHE HB2 H 3.146 0.030 2 728 101 63 PHE HB3 H 2.464 0.030 2 729 101 63 PHE HD1 H 6.905 0.030 1 730 101 63 PHE HD2 H 6.905 0.030 1 731 101 63 PHE HE1 H 7.490 0.030 1 732 101 63 PHE HE2 H 7.490 0.030 1 733 101 63 PHE HZ H 7.222 0.030 1 734 101 63 PHE C C 175.591 0.300 1 735 101 63 PHE CA C 58.190 0.300 1 736 101 63 PHE CB C 38.755 0.300 1 737 101 63 PHE CD1 C 131.841 0.300 1 738 101 63 PHE CD2 C 131.841 0.300 1 739 101 63 PHE CE1 C 130.741 0.300 1 740 101 63 PHE CE2 C 130.741 0.300 1 741 101 63 PHE CZ C 128.690 0.300 1 742 101 63 PHE N N 112.285 0.300 1 743 102 64 ASP H H 7.592 0.030 1 744 102 64 ASP HA H 4.161 0.030 1 745 102 64 ASP HB2 H 2.708 0.030 1 746 102 64 ASP HB3 H 2.708 0.030 1 747 102 64 ASP C C 175.815 0.300 1 748 102 64 ASP CA C 57.376 0.300 1 749 102 64 ASP CB C 39.909 0.300 1 750 102 64 ASP N N 121.940 0.300 1 751 103 65 PHE H H 6.660 0.030 1 752 103 65 PHE HA H 3.941 0.030 1 753 103 65 PHE HB2 H 2.959 0.030 2 754 103 65 PHE HB3 H 2.349 0.030 2 755 103 65 PHE HD1 H 6.841 0.030 1 756 103 65 PHE HD2 H 6.841 0.030 1 757 103 65 PHE HE1 H 6.879 0.030 1 758 103 65 PHE HE2 H 6.879 0.030 1 759 103 65 PHE HZ H 7.409 0.030 1 760 103 65 PHE C C 180.875 0.300 1 761 103 65 PHE CA C 57.967 0.300 1 762 103 65 PHE CB C 38.742 0.300 1 763 103 65 PHE CD1 C 132.350 0.300 1 764 103 65 PHE CD2 C 132.350 0.300 1 765 103 65 PHE CE1 C 132.352 0.300 1 766 103 65 PHE CE2 C 132.352 0.300 1 767 103 65 PHE CZ C 129.159 0.300 1 768 103 65 PHE N N 112.323 0.300 1 769 104 66 LEU H H 6.384 0.030 1 770 104 66 LEU HA H 3.879 0.030 1 771 104 66 LEU HB2 H 1.450 0.030 1 772 104 66 LEU HB3 H 1.450 0.030 1 773 104 66 LEU HD1 H 0.590 0.030 1 774 104 66 LEU HD2 H 0.053 0.030 1 775 104 66 LEU HG H 0.601 0.030 1 776 104 66 LEU C C 176.757 0.300 1 777 104 66 LEU CA C 54.683 0.300 1 778 104 66 LEU CB C 42.399 0.300 1 779 104 66 LEU CD1 C 26.060 0.300 2 780 104 66 LEU CD2 C 23.964 0.300 2 781 104 66 LEU CG C 25.482 0.300 1 782 104 66 LEU N N 114.737 0.300 1 783 105 67 ARG H H 7.857 0.030 1 784 105 67 ARG HA H 4.499 0.030 1 785 105 67 ARG HB2 H 1.935 0.030 2 786 105 67 ARG HB3 H 1.855 0.030 2 787 105 67 ARG HD2 H 3.189 0.030 1 788 105 67 ARG HD3 H 3.189 0.030 1 789 105 67 ARG HG2 H 1.670 0.030 2 790 105 67 ARG HG3 H 1.540 0.030 2 791 105 67 ARG C C 175.032 0.300 1 792 105 67 ARG CA C 53.347 0.300 1 793 105 67 ARG CB C 29.960 0.300 1 794 105 67 ARG CD C 43.494 0.300 1 795 105 67 ARG CG C 28.043 0.300 1 796 105 67 ARG N N 118.331 0.300 1 797 106 68 PRO HA H 2.651 0.030 1 798 106 68 PRO HB2 H 1.639 0.030 2 799 106 68 PRO HB3 H 1.551 0.030 2 800 106 68 PRO HD2 H 3.623 0.030 2 801 106 68 PRO HD3 H 3.472 0.030 2 802 106 68 PRO HG2 H 1.791 0.030 2 803 106 68 PRO HG3 H 1.542 0.030 2 804 106 68 PRO C C 176.725 0.300 1 805 106 68 PRO CA C 63.268 0.300 1 806 106 68 PRO CB C 31.676 0.300 1 807 106 68 PRO CD C 50.352 0.300 1 808 106 68 PRO CG C 27.111 0.300 1 809 107 69 GLN H H 7.632 0.030 1 810 107 69 GLN HA H 4.204 0.030 1 811 107 69 GLN HB2 H 2.150 0.030 2 812 107 69 GLN HB3 H 2.071 0.030 2 813 107 69 GLN HE21 H 6.800 0.030 2 814 107 69 GLN HE22 H 7.548 0.030 2 815 107 69 GLN HG2 H 2.387 0.030 2 816 107 69 GLN HG3 H 2.351 0.030 2 817 107 69 GLN C C 176.020 0.300 1 818 107 69 GLN CA C 56.809 0.300 1 819 107 69 GLN CB C 27.863 0.300 1 820 107 69 GLN CG C 34.077 0.300 1 821 107 69 GLN N N 113.386 0.300 1 822 107 69 GLN NE2 N 112.004 0.300 1 823 108 70 HIS H H 8.384 0.030 1 824 108 70 HIS HA H 4.339 0.030 1 825 108 70 HIS HB2 H 3.283 0.030 1 826 108 70 HIS HB3 H 3.283 0.030 1 827 108 70 HIS HD2 H 7.179 0.030 1 828 108 70 HIS HE1 H 7.614 0.030 1 829 108 70 HIS C C 177.560 0.300 1 830 108 70 HIS CA C 59.114 0.300 1 831 108 70 HIS CB C 33.856 0.300 1 832 108 70 HIS CD2 C 118.915 0.300 1 833 108 70 HIS CE1 C 137.672 0.300 1 834 108 70 HIS N N 123.334 0.300 1 835 109 71 SER H H 8.101 0.030 1 836 109 71 SER HA H 4.254 0.030 1 837 109 71 SER HB2 H 3.858 0.030 1 838 109 71 SER HB3 H 3.858 0.030 1 839 109 71 SER C C 176.328 0.300 1 840 109 71 SER CA C 61.932 0.300 1 841 109 71 SER CB C 63.208 0.300 1 842 109 71 SER N N 123.793 0.300 1 843 110 72 LEU HA H 4.911 0.030 1 844 110 72 LEU HB2 H 2.271 0.030 2 845 110 72 LEU HB3 H 1.965 0.030 2 846 110 72 LEU HD1 H 0.962 0.030 1 847 110 72 LEU HD2 H 0.850 0.030 1 848 110 72 LEU HG H 1.948 0.030 1 849 110 72 LEU C C 176.990 0.300 1 850 110 72 LEU CA C 54.993 0.300 1 851 110 72 LEU CB C 43.181 0.300 1 852 110 72 LEU CD1 C 25.668 0.300 2 853 110 72 LEU CD2 C 23.422 0.300 2 854 110 72 LEU CG C 27.083 0.300 1 855 111 73 PHE H H 8.293 0.030 1 856 111 73 PHE HA H 4.939 0.030 1 857 111 73 PHE HB2 H 3.843 0.030 2 858 111 73 PHE HB3 H 3.063 0.030 2 859 111 73 PHE HD1 H 7.465 0.030 1 860 111 73 PHE HD2 H 7.465 0.030 1 861 111 73 PHE HE1 H 7.376 0.030 1 862 111 73 PHE HE2 H 7.376 0.030 1 863 111 73 PHE HZ H 7.322 0.030 1 864 111 73 PHE C C 177.603 0.300 1 865 111 73 PHE CA C 62.888 0.300 1 866 111 73 PHE CB C 39.572 0.300 1 867 111 73 PHE CD1 C 132.967 0.300 1 868 111 73 PHE CD2 C 132.967 0.300 1 869 111 73 PHE CE1 C 130.942 0.300 1 870 111 73 PHE CE2 C 130.942 0.300 1 871 111 73 PHE CZ C 129.756 0.300 1 872 111 73 PHE N N 123.695 0.300 1 873 112 74 ASN H H 9.030 0.030 1 874 112 74 ASN HA H 4.409 0.030 1 875 112 74 ASN HB2 H 3.062 0.030 2 876 112 74 ASN HB3 H 2.868 0.030 2 877 112 74 ASN HD21 H 7.688 0.030 2 878 112 74 ASN HD22 H 6.986 0.030 2 879 112 74 ASN C C 177.373 0.300 1 880 112 74 ASN CA C 56.649 0.300 1 881 112 74 ASN CB C 37.816 0.300 1 882 112 74 ASN N N 118.882 0.300 1 883 112 74 ASN ND2 N 112.000 0.300 1 884 113 75 TYR H H 8.280 0.030 1 885 113 75 TYR HA H 4.203 0.030 1 886 113 75 TYR HB2 H 3.290 0.030 2 887 113 75 TYR HB3 H 3.022 0.030 2 888 113 75 TYR HD1 H 6.961 0.030 1 889 113 75 TYR HD2 H 6.961 0.030 1 890 113 75 TYR HE1 H 6.619 0.030 1 891 113 75 TYR HE2 H 6.619 0.030 1 892 113 75 TYR C C 174.941 0.300 1 893 113 75 TYR CA C 61.000 0.300 1 894 113 75 TYR CB C 38.352 0.300 1 895 113 75 TYR CD1 C 132.501 0.300 1 896 113 75 TYR CD2 C 132.501 0.300 1 897 113 75 TYR CE1 C 118.349 0.300 1 898 113 75 TYR CE2 C 118.349 0.300 1 899 113 75 TYR N N 123.082 0.300 1 900 114 76 PHE H H 8.519 0.030 1 901 114 76 PHE HA H 3.788 0.030 1 902 114 76 PHE HB2 H 3.470 0.030 2 903 114 76 PHE HB3 H 3.229 0.030 2 904 114 76 PHE HD1 H 7.159 0.030 1 905 114 76 PHE HD2 H 7.159 0.030 1 906 114 76 PHE HE1 H 7.139 0.030 1 907 114 76 PHE HE2 H 7.139 0.030 1 908 114 76 PHE HZ H 7.057 0.030 1 909 114 76 PHE C C 175.881 0.300 1 910 114 76 PHE CA C 61.266 0.300 1 911 114 76 PHE CB C 38.666 0.300 1 912 114 76 PHE CD1 C 132.544 0.300 1 913 114 76 PHE CD2 C 132.544 0.300 1 914 114 76 PHE CE1 C 130.717 0.300 1 915 114 76 PHE CE2 C 130.717 0.300 1 916 114 76 PHE CZ C 129.497 0.300 1 917 114 76 PHE N N 118.860 0.300 1 918 115 77 THR H H 8.362 0.030 1 919 115 77 THR HA H 3.110 0.030 1 920 115 77 THR HB H 4.007 0.030 1 921 115 77 THR HG2 H 0.904 0.030 1 922 115 77 THR C C 176.769 0.300 1 923 115 77 THR CA C 66.630 0.300 1 924 115 77 THR CB C 68.703 0.300 1 925 115 77 THR CG2 C 21.536 0.300 1 926 115 77 THR N N 113.338 0.300 1 927 116 78 LYS H H 7.798 0.030 1 928 116 78 LYS HA H 3.938 0.030 1 929 116 78 LYS HB2 H 1.862 0.030 2 930 116 78 LYS HB3 H 1.726 0.030 2 931 116 78 LYS HD2 H 1.602 0.030 1 932 116 78 LYS HD3 H 1.602 0.030 1 933 116 78 LYS HE2 H 2.905 0.030 1 934 116 78 LYS HE3 H 2.905 0.030 1 935 116 78 LYS HG2 H 1.438 0.030 2 936 116 78 LYS HG3 H 1.397 0.030 2 937 116 78 LYS C C 179.172 0.300 1 938 116 78 LYS CA C 58.469 0.300 1 939 116 78 LYS CB C 31.543 0.300 1 940 116 78 LYS CD C 28.590 0.300 1 941 116 78 LYS CE C 42.139 0.300 1 942 116 78 LYS CG C 24.850 0.300 1 943 116 78 LYS N N 122.773 0.300 1 944 117 79 LEU H H 7.865 0.030 1 945 117 79 LEU HA H 3.592 0.030 1 946 117 79 LEU HB2 H 1.579 0.030 2 947 117 79 LEU HB3 H 0.887 0.030 2 948 117 79 LEU HD1 H 0.459 0.030 1 949 117 79 LEU HD2 H 0.550 0.030 1 950 117 79 LEU HG H 1.040 0.030 1 951 117 79 LEU C C 178.447 0.300 1 952 117 79 LEU CA C 57.501 0.300 1 953 117 79 LEU CB C 41.755 0.300 1 954 117 79 LEU CD1 C 26.592 0.300 2 955 117 79 LEU CD2 C 22.512 0.300 2 956 117 79 LEU CG C 26.035 0.300 1 957 117 79 LEU N N 121.225 0.300 1 958 118 80 VAL H H 7.801 0.030 1 959 118 80 VAL HA H 3.260 0.030 1 960 118 80 VAL HB H 1.831 0.030 1 961 118 80 VAL HG1 H 0.437 0.030 1 962 118 80 VAL HG2 H 0.678 0.030 1 963 118 80 VAL C C 179.032 0.300 1 964 118 80 VAL CA C 67.388 0.300 1 965 118 80 VAL CB C 31.310 0.300 1 966 118 80 VAL CG1 C 23.281 0.300 2 967 118 80 VAL CG2 C 21.637 0.300 2 968 118 80 VAL N N 118.475 0.300 1 969 119 81 GLU H H 7.464 0.030 1 970 119 81 GLU HA H 3.851 0.030 1 971 119 81 GLU HB2 H 2.080 0.030 2 972 119 81 GLU HB3 H 2.045 0.030 2 973 119 81 GLU HG2 H 2.350 0.030 2 974 119 81 GLU HG3 H 2.117 0.030 2 975 119 81 GLU C C 179.069 0.300 1 976 119 81 GLU CA C 59.523 0.300 1 977 119 81 GLU CB C 29.417 0.300 1 978 119 81 GLU CG C 36.229 0.300 1 979 119 81 GLU N N 118.468 0.300 1 980 120 82 GLN H H 7.907 0.030 1 981 120 82 GLN HA H 3.910 0.030 1 982 120 82 GLN HB2 H 1.935 0.030 2 983 120 82 GLN HB3 H 1.840 0.030 2 984 120 82 GLN HE21 H 7.009 0.030 2 985 120 82 GLN HE22 H 6.589 0.030 2 986 120 82 GLN HG2 H 2.207 0.030 2 987 120 82 GLN HG3 H 2.102 0.030 2 988 120 82 GLN C C 178.079 0.300 1 989 120 82 GLN CA C 58.490 0.300 1 990 120 82 GLN CB C 28.492 0.300 1 991 120 82 GLN CG C 33.906 0.300 1 992 120 82 GLN N N 119.104 0.300 1 993 120 82 GLN NE2 N 110.326 0.300 1 994 121 83 TYR H H 8.046 0.030 1 995 121 83 TYR HA H 4.618 0.030 1 996 121 83 TYR HB2 H 3.231 0.030 2 997 121 83 TYR HB3 H 2.710 0.030 2 998 121 83 TYR HD1 H 6.901 0.030 1 999 121 83 TYR HD2 H 6.901 0.030 1 1000 121 83 TYR HE1 H 6.779 0.030 1 1001 121 83 TYR HE2 H 6.779 0.030 1 1002 121 83 TYR C C 176.401 0.300 1 1003 121 83 TYR CA C 57.860 0.300 1 1004 121 83 TYR CB C 38.296 0.300 1 1005 121 83 TYR CD1 C 132.003 0.300 1 1006 121 83 TYR CD2 C 132.003 0.300 1 1007 121 83 TYR CE1 C 118.227 0.300 1 1008 121 83 TYR CE2 C 118.227 0.300 1 1009 121 83 TYR N N 116.279 0.300 1 1010 122 84 THR H H 7.626 0.030 1 1011 122 84 THR HA H 4.173 0.030 1 1012 122 84 THR HB H 4.343 0.030 1 1013 122 84 THR HG2 H 1.287 0.030 1 1014 122 84 THR C C 173.358 0.300 1 1015 122 84 THR CA C 63.895 0.300 1 1016 122 84 THR CB C 69.728 0.300 1 1017 122 84 THR CG2 C 21.352 0.300 1 1018 122 84 THR N N 115.723 0.300 1 1019 123 85 LYS H H 7.553 0.030 1 1020 123 85 LYS HA H 4.128 0.030 1 1021 123 85 LYS HB2 H 1.830 0.030 2 1022 123 85 LYS HB3 H 1.750 0.030 2 1023 123 85 LYS HD2 H 1.661 0.030 1 1024 123 85 LYS HD3 H 1.661 0.030 1 1025 123 85 LYS HE2 H 2.977 0.030 1 1026 123 85 LYS HE3 H 2.977 0.030 1 1027 123 85 LYS HG2 H 1.432 0.030 1 1028 123 85 LYS HG3 H 1.432 0.030 1 1029 123 85 LYS C C 181.175 0.300 1 1030 123 85 LYS CA C 57.923 0.300 1 1031 123 85 LYS CB C 33.610 0.300 1 1032 123 85 LYS CD C 29.154 0.300 1 1033 123 85 LYS CE C 42.399 0.300 1 1034 123 85 LYS CG C 24.755 0.300 1 1035 123 85 LYS N N 129.491 0.300 1 stop_ save_