data_10123 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the PWWP domain of mouse Hepatoma-derived growth factor, related protein 3 ; _BMRB_accession_number 10123 _BMRB_flat_file_name bmr10123.str _Entry_type new _Submission_date 2007-04-02 _Accession_date 2007-04-03 _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 Nameki N. . . 2 Kigawa T. . . 3 Koshiba S. . . 4 Kobayashi N. . . 5 Tochio N. . . 6 Inoue M. . . 7 Yokoyama S. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 586 "13C chemical shifts" 438 "15N chemical shifts" 91 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-07-16 original author . stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of the PWWP domain of the hepatoma-derived growth factor family. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 15689505 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Nameki N. . . 2 Tochio N. . . 3 Koshiba S. . . 4 Inoue M. . . 5 Yabuki T. . . 6 Aoki M. . . 7 Seki E. . . 8 Matsuda T. . . 9 Fujikura Y. . . 10 Saito M. . . 11 Ikari M. . . 12 Watanabe M. . . 13 Terada T. . . 14 Shirouzu M. . . 15 Yoshida M. . . 16 Hirota H. . . 17 Tanaka A. . . 18 Hayashizaki Y. . . 19 Guntert P. . . 20 Kigawa T. . . 21 Yokoyama S. . . stop_ _Journal_abbreviation 'Protein Sci.' _Journal_name_full 'Protein Science' _Journal_volume 14 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 756 _Page_last 764 _Year 2005 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Hepatoma-derived growth factor, related protein 3' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'PWWP domain' $entity_1 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 'PWWP domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 96 _Mol_residue_sequence ; GSSGSSGEYKAGDLVFAKMK GYPHWPARIDELPEGAVKPP ANKYPIFFFGTHETAFLGPK DLFPYKEYKDKFGKSNKRKG FNEGLWEIENSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 GLU 9 TYR 10 LYS 11 ALA 12 GLY 13 ASP 14 LEU 15 VAL 16 PHE 17 ALA 18 LYS 19 MET 20 LYS 21 GLY 22 TYR 23 PRO 24 HIS 25 TRP 26 PRO 27 ALA 28 ARG 29 ILE 30 ASP 31 GLU 32 LEU 33 PRO 34 GLU 35 GLY 36 ALA 37 VAL 38 LYS 39 PRO 40 PRO 41 ALA 42 ASN 43 LYS 44 TYR 45 PRO 46 ILE 47 PHE 48 PHE 49 PHE 50 GLY 51 THR 52 HIS 53 GLU 54 THR 55 ALA 56 PHE 57 LEU 58 GLY 59 PRO 60 LYS 61 ASP 62 LEU 63 PHE 64 PRO 65 TYR 66 LYS 67 GLU 68 TYR 69 LYS 70 ASP 71 LYS 72 PHE 73 GLY 74 LYS 75 SER 76 ASN 77 LYS 78 ARG 79 LYS 80 GLY 81 PHE 82 ASN 83 GLU 84 GLY 85 LEU 86 TRP 87 GLU 88 ILE 89 GLU 90 ASN 91 SER 92 GLY 93 PRO 94 SER 95 SER 96 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-29 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 1N27 "Solution Structure Of The Pwwp Domain Of Mouse Hepatoma- Derived Growth Factor, Related Protein 3" 100.00 96 100.00 100.00 5.45e-61 DBJ BAA90477 "HRP-3 [Homo sapiens]" 87.50 203 98.81 100.00 2.75e-54 DBJ BAA90478 "hepatoma-derived growth factor-related protein HRP-3 [Mus musculus]" 87.50 202 98.81 100.00 3.47e-54 DBJ BAA91597 "unnamed protein product [Homo sapiens]" 87.50 203 98.81 100.00 2.75e-54 DBJ BAB31754 "unnamed protein product [Mus musculus]" 87.50 202 98.81 100.00 3.95e-54 DBJ BAC32123 "unnamed protein product [Mus musculus]" 87.50 202 98.81 100.00 3.95e-54 GB AAD34137 "CGI-142 protein [Homo sapiens]" 87.50 203 98.81 100.00 2.75e-54 GB AAH15483 "Hepatoma-derived growth factor, related protein 3 [Homo sapiens]" 87.50 203 98.81 100.00 2.75e-54 GB AAH55734 "Hepatoma-derived growth factor, related protein 3 [Mus musculus]" 87.50 202 98.81 100.00 3.95e-54 GB AAI51803 "LOC784070 protein [Bos taurus]" 87.50 142 98.81 100.00 3.53e-53 GB AAK72965 "HRP3 [Rattus norvegicus]" 87.50 202 98.81 100.00 3.62e-54 REF NP_001178297 "hepatoma-derived growth factor-related protein 3 [Bos taurus]" 87.50 203 98.81 100.00 2.52e-54 REF NP_001297902 "hepatoma-derived growth factor-related protein 3 [Esox lucius]" 87.50 225 97.62 97.62 7.97e-53 REF NP_038914 "hepatoma-derived growth factor-related protein 3 [Mus musculus]" 87.50 202 98.81 100.00 3.95e-54 REF NP_057157 "hepatoma-derived growth factor-related protein 3 [Homo sapiens]" 87.50 203 98.81 100.00 2.75e-54 REF NP_665728 "hepatoma-derived growth factor-related protein 3 [Rattus norvegicus]" 87.50 202 98.81 100.00 3.62e-54 SP Q923W4 "RecName: Full=Hepatoma-derived growth factor-related protein 3; Short=HRP-3" 87.50 202 98.81 100.00 3.62e-54 SP Q9JMG7 "RecName: Full=Hepatoma-derived growth factor-related protein 3; Short=HRP-3" 87.50 202 98.81 100.00 3.95e-54 SP Q9Y3E1 "RecName: Full=Hepatoma-derived growth factor-related protein 3; Short=HRP-3; AltName: Full=Hepatoma-derived growth factor 2; Sh" 87.50 203 98.81 100.00 2.75e-54 TPG DAA17616 "TPA: Hepatoma-derived growth factor-related protein 3 (HRP-3) (Hepatoma-derived growth factor 2)-like protein [Bos taurus]" 87.50 203 98.81 100.00 2.52e-54 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 mouse 10090 Eukaryota Metazoa Mus musculus 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' . . . . plasmid P020408-01 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.7 mM '[U-13C; U-15N]' phosphate 20 mM . NaCl 100 mM . d-DTT 1 mM . NaN3 0.02 % . H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name XWINNMR _Version 2.6 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version 20020425 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_3 _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_software_4 _Saveframe_category software _Name Kujira _Version 0.613 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name CYANA _Version 1.0.6 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_software_6 _Saveframe_category software _Name OPALp _Version . loop_ _Vendor _Address _Electronic_address 'Koradi, R.' . . 'Billeter, M.' . . 'Guntert, P.' . . stop_ loop_ _Task refinement 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_13C-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ save_3D_15N-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-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' 120 0.1 mM pH 6.0 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 H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 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 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 13C-separated NOESY' '3D 15N-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 'PWWP 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 3 3 SER HA H 4.551 0.030 1 2 3 3 SER HB2 H 3.939 0.030 1 3 3 3 SER HB3 H 3.939 0.030 1 4 3 3 SER C C 175.084 0.300 1 5 3 3 SER CA C 58.636 0.300 1 6 3 3 SER CB C 63.870 0.300 1 7 4 4 GLY H H 8.508 0.030 1 8 4 4 GLY HA2 H 4.052 0.030 1 9 4 4 GLY HA3 H 4.052 0.030 1 10 4 4 GLY C C 174.382 0.300 1 11 4 4 GLY CA C 45.501 0.300 1 12 4 4 GLY N N 111.063 0.300 1 13 5 5 SER H H 8.300 0.030 1 14 5 5 SER HA H 4.500 0.030 1 15 5 5 SER HB2 H 3.916 0.030 1 16 5 5 SER HB3 H 3.916 0.030 1 17 5 5 SER C C 174.823 0.300 1 18 5 5 SER CA C 58.355 0.300 1 19 5 5 SER CB C 63.860 0.300 1 20 5 5 SER N N 115.942 0.300 1 21 6 6 SER H H 8.490 0.030 1 22 6 6 SER HA H 4.498 0.030 1 23 6 6 SER HB2 H 3.928 0.030 1 24 6 6 SER HB3 H 3.928 0.030 1 25 6 6 SER C C 174.982 0.300 1 26 6 6 SER CA C 59.000 0.300 1 27 6 6 SER CB C 63.802 0.300 1 28 6 6 SER N N 117.990 0.300 1 29 7 7 GLY H H 8.370 0.030 1 30 7 7 GLY HA2 H 3.991 0.030 2 31 7 7 GLY HA3 H 3.937 0.030 2 32 7 7 GLY C C 173.512 0.300 1 33 7 7 GLY CA C 45.424 0.300 1 34 7 7 GLY N N 110.689 0.300 1 35 8 8 GLU H H 7.990 0.030 1 36 8 8 GLU HA H 4.255 0.030 1 37 8 8 GLU HB2 H 1.839 0.030 2 38 8 8 GLU HB3 H 1.934 0.030 2 39 8 8 GLU HG2 H 2.167 0.030 1 40 8 8 GLU HG3 H 2.167 0.030 1 41 8 8 GLU C C 175.542 0.300 1 42 8 8 GLU CA C 56.460 0.300 1 43 8 8 GLU CB C 30.795 0.300 1 44 8 8 GLU CG C 36.155 0.300 1 45 8 8 GLU N N 120.122 0.300 1 46 9 9 TYR H H 7.397 0.030 1 47 9 9 TYR HA H 4.574 0.030 1 48 9 9 TYR HB2 H 2.640 0.030 2 49 9 9 TYR HB3 H 1.729 0.030 2 50 9 9 TYR HD1 H 6.762 0.030 1 51 9 9 TYR HD2 H 6.762 0.030 1 52 9 9 TYR HE1 H 6.532 0.030 1 53 9 9 TYR HE2 H 6.532 0.030 1 54 9 9 TYR C C 174.374 0.300 1 55 9 9 TYR CA C 57.870 0.300 1 56 9 9 TYR CB C 40.918 0.300 1 57 9 9 TYR CD1 C 132.633 0.300 1 58 9 9 TYR CD2 C 132.633 0.300 1 59 9 9 TYR CE1 C 117.806 0.300 1 60 9 9 TYR CE2 C 117.806 0.300 1 61 9 9 TYR N N 118.854 0.300 1 62 10 10 LYS H H 8.833 0.030 1 63 10 10 LYS HA H 4.654 0.030 1 64 10 10 LYS HB2 H 1.814 0.030 1 65 10 10 LYS HB3 H 1.814 0.030 1 66 10 10 LYS HG2 H 1.542 0.030 2 67 10 10 LYS HG3 H 1.338 0.030 2 68 10 10 LYS HD2 H 1.701 0.030 1 69 10 10 LYS HD3 H 1.701 0.030 1 70 10 10 LYS HE2 H 3.083 0.030 1 71 10 10 LYS HE3 H 3.083 0.030 1 72 10 10 LYS C C 174.909 0.300 1 73 10 10 LYS CA C 54.114 0.300 1 74 10 10 LYS CB C 35.767 0.300 1 75 10 10 LYS CG C 23.708 0.300 1 76 10 10 LYS CD C 28.983 0.300 1 77 10 10 LYS CE C 42.337 0.300 1 78 10 10 LYS N N 120.680 0.300 1 79 11 11 ALA H H 8.470 0.030 1 80 11 11 ALA HA H 3.698 0.030 1 81 11 11 ALA HB H 1.304 0.030 1 82 11 11 ALA C C 178.425 0.300 1 83 11 11 ALA CA C 53.854 0.300 1 84 11 11 ALA CB C 18.057 0.300 1 85 11 11 ALA N N 122.188 0.300 1 86 12 12 GLY H H 9.278 0.030 1 87 12 12 GLY HA2 H 4.487 0.030 2 88 12 12 GLY HA3 H 3.509 0.030 2 89 12 12 GLY C C 174.774 0.300 1 90 12 12 GLY CA C 44.765 0.300 1 91 12 12 GLY N N 113.032 0.300 1 92 13 13 ASP H H 8.285 0.030 1 93 13 13 ASP HA H 4.613 0.030 1 94 13 13 ASP HB2 H 3.004 0.030 2 95 13 13 ASP HB3 H 2.619 0.030 2 96 13 13 ASP C C 175.274 0.300 1 97 13 13 ASP CA C 55.788 0.300 1 98 13 13 ASP CB C 40.984 0.300 1 99 13 13 ASP N N 121.995 0.300 1 100 14 14 LEU H H 8.548 0.030 1 101 14 14 LEU HA H 5.037 0.030 1 102 14 14 LEU HB2 H 2.000 0.030 2 103 14 14 LEU HB3 H 1.108 0.030 2 104 14 14 LEU HG H 2.009 0.030 1 105 14 14 LEU HD1 H 0.799 0.030 1 106 14 14 LEU HD2 H 0.991 0.030 1 107 14 14 LEU C C 178.004 0.300 1 108 14 14 LEU CA C 53.939 0.300 1 109 14 14 LEU CB C 42.098 0.300 1 110 14 14 LEU CG C 26.339 0.300 1 111 14 14 LEU CD1 C 25.338 0.300 2 112 14 14 LEU CD2 C 21.666 0.300 2 113 14 14 LEU N N 120.033 0.300 1 114 15 15 VAL H H 8.992 0.030 1 115 15 15 VAL HA H 5.362 0.030 1 116 15 15 VAL HB H 2.143 0.030 1 117 15 15 VAL HG1 H 0.336 0.030 1 118 15 15 VAL HG2 H 0.553 0.030 1 119 15 15 VAL C C 175.347 0.300 1 120 15 15 VAL CA C 59.237 0.300 1 121 15 15 VAL CB C 37.027 0.300 1 122 15 15 VAL CG1 C 17.979 0.300 2 123 15 15 VAL CG2 C 22.916 0.300 2 124 15 15 VAL N N 117.496 0.300 1 125 16 16 PHE H H 9.646 0.030 1 126 16 16 PHE HA H 5.262 0.030 1 127 16 16 PHE HB2 H 2.723 0.030 2 128 16 16 PHE HB3 H 2.896 0.030 2 129 16 16 PHE HD1 H 7.123 0.030 1 130 16 16 PHE HD2 H 7.123 0.030 1 131 16 16 PHE HE1 H 7.272 0.030 1 132 16 16 PHE HE2 H 7.272 0.030 1 133 16 16 PHE HZ H 7.120 0.030 1 134 16 16 PHE C C 175.083 0.300 1 135 16 16 PHE CA C 58.497 0.300 1 136 16 16 PHE CB C 42.519 0.300 1 137 16 16 PHE CD1 C 131.946 0.300 1 138 16 16 PHE CD2 C 131.946 0.300 1 139 16 16 PHE CE1 C 131.893 0.300 1 140 16 16 PHE CE2 C 131.893 0.300 1 141 16 16 PHE CZ C 128.854 0.300 1 142 16 16 PHE N N 113.746 0.300 1 143 17 17 ALA H H 9.650 0.030 1 144 17 17 ALA HA H 5.531 0.030 1 145 17 17 ALA HB H 1.025 0.030 1 146 17 17 ALA C C 177.273 0.300 1 147 17 17 ALA CA C 49.910 0.300 1 148 17 17 ALA CB C 23.518 0.300 1 149 17 17 ALA N N 124.732 0.300 1 150 18 18 LYS H H 9.491 0.030 1 151 18 18 LYS HA H 4.618 0.030 1 152 18 18 LYS HB2 H 2.286 0.030 2 153 18 18 LYS HB3 H 1.106 0.030 2 154 18 18 LYS HG2 H 1.156 0.030 2 155 18 18 LYS HG3 H 1.052 0.030 2 156 18 18 LYS HD2 H -0.098 0.030 2 157 18 18 LYS HD3 H 1.411 0.030 2 158 18 18 LYS HE2 H 2.680 0.030 2 159 18 18 LYS HE3 H 2.979 0.030 2 160 18 18 LYS C C 172.832 0.300 1 161 18 18 LYS CA C 54.166 0.300 1 162 18 18 LYS CB C 35.049 0.300 1 163 18 18 LYS CG C 24.404 0.300 1 164 18 18 LYS CD C 27.754 0.300 1 165 18 18 LYS CE C 43.248 0.300 1 166 18 18 LYS N N 128.439 0.300 1 167 19 19 MET H H 8.641 0.030 1 168 19 19 MET HA H 4.661 0.030 1 169 19 19 MET HB2 H 1.899 0.030 2 170 19 19 MET HB3 H 1.729 0.030 2 171 19 19 MET HG2 H 2.167 0.030 2 172 19 19 MET HG3 H 2.265 0.030 2 173 19 19 MET HE H 1.265 0.030 1 174 19 19 MET C C 175.866 0.300 1 175 19 19 MET CA C 53.534 0.300 1 176 19 19 MET CB C 35.770 0.300 1 177 19 19 MET CG C 31.839 0.300 1 178 19 19 MET CE C 15.971 0.300 1 179 19 19 MET N N 125.728 0.300 1 180 20 20 LYS H H 8.613 0.030 1 181 20 20 LYS HA H 4.056 0.030 1 182 20 20 LYS HB2 H 1.768 0.030 2 183 20 20 LYS HB3 H 1.827 0.030 2 184 20 20 LYS HG2 H 1.386 0.030 2 185 20 20 LYS HG3 H 1.525 0.030 2 186 20 20 LYS HD2 H 1.698 0.030 2 187 20 20 LYS HD3 H 1.725 0.030 2 188 20 20 LYS HE2 H 3.016 0.030 1 189 20 20 LYS HE3 H 3.016 0.030 1 190 20 20 LYS C C 177.809 0.300 1 191 20 20 LYS CA C 58.523 0.300 1 192 20 20 LYS CB C 31.960 0.300 1 193 20 20 LYS CG C 24.697 0.300 1 194 20 20 LYS CD C 29.052 0.300 1 195 20 20 LYS CE C 42.090 0.300 1 196 20 20 LYS N N 124.016 0.300 1 197 21 21 GLY H H 8.989 0.030 1 198 21 21 GLY HA2 H 4.075 0.030 2 199 21 21 GLY HA3 H 3.639 0.030 2 200 21 21 GLY C C 173.769 0.300 1 201 21 21 GLY CA C 45.195 0.300 1 202 21 21 GLY N N 113.388 0.300 1 203 22 22 TYR H H 8.049 0.030 1 204 22 22 TYR HA H 4.936 0.030 1 205 22 22 TYR HB2 H 3.191 0.030 2 206 22 22 TYR HB3 H 2.904 0.030 2 207 22 22 TYR HD1 H 6.953 0.030 1 208 22 22 TYR HD2 H 6.953 0.030 1 209 22 22 TYR HE1 H 6.618 0.030 1 210 22 22 TYR HE2 H 6.618 0.030 1 211 22 22 TYR C C 172.886 0.300 1 212 22 22 TYR CA C 55.830 0.300 1 213 22 22 TYR CB C 40.796 0.300 1 214 22 22 TYR CD1 C 132.866 0.300 1 215 22 22 TYR CD2 C 132.866 0.300 1 216 22 22 TYR CE1 C 118.174 0.300 1 217 22 22 TYR CE2 C 118.174 0.300 1 218 22 22 TYR N N 120.041 0.300 1 219 23 23 PRO HA H 4.691 0.030 1 220 23 23 PRO HB2 H 2.299 0.030 2 221 23 23 PRO HB3 H 1.958 0.030 2 222 23 23 PRO HG2 H 1.882 0.030 2 223 23 23 PRO HG3 H 2.153 0.030 2 224 23 23 PRO HD2 H 3.907 0.030 2 225 23 23 PRO HD3 H 4.029 0.030 2 226 23 23 PRO C C 176.852 0.300 1 227 23 23 PRO CA C 62.040 0.300 1 228 23 23 PRO CB C 31.786 0.300 1 229 23 23 PRO CG C 27.045 0.300 1 230 23 23 PRO CD C 49.844 0.300 1 231 24 24 HIS H H 8.005 0.030 1 232 24 24 HIS HA H 3.831 0.030 1 233 24 24 HIS HB2 H 2.194 0.030 2 234 24 24 HIS HB3 H 1.956 0.030 2 235 24 24 HIS HD2 H 5.625 0.030 1 236 24 24 HIS HE1 H 7.515 0.030 1 237 24 24 HIS C C 175.932 0.300 1 238 24 24 HIS CA C 60.569 0.300 1 239 24 24 HIS CB C 30.381 0.300 1 240 24 24 HIS CD2 C 117.286 0.300 1 241 24 24 HIS CE1 C 138.238 0.300 1 242 24 24 HIS N N 118.961 0.300 1 243 25 25 TRP H H 9.052 0.030 1 244 25 25 TRP HA H 5.418 0.030 1 245 25 25 TRP HB2 H 3.700 0.030 2 246 25 25 TRP HB3 H 3.935 0.030 2 247 25 25 TRP HD1 H 8.519 0.030 1 248 25 25 TRP HE1 H 10.643 0.030 1 249 25 25 TRP HE3 H 8.122 0.030 1 250 25 25 TRP HZ2 H 7.375 0.030 1 251 25 25 TRP HH2 H 7.394 0.030 1 252 25 25 TRP C C 175.042 0.300 1 253 25 25 TRP CA C 56.146 0.300 1 254 25 25 TRP CB C 33.040 0.300 1 255 25 25 TRP CD1 C 129.170 0.300 1 256 25 25 TRP CE3 C 120.739 0.300 1 257 25 25 TRP CZ2 C 115.228 0.300 1 258 25 25 TRP CZ3 C 120.720 0.300 1 259 25 25 TRP CH2 C 124.759 0.300 1 260 25 25 TRP N N 127.563 0.300 1 261 25 25 TRP NE1 N 129.598 0.300 1 262 26 26 PRO HA H 4.188 0.030 1 263 26 26 PRO HB2 H 1.908 0.030 2 264 26 26 PRO HB3 H 1.674 0.030 2 265 26 26 PRO HG2 H 1.253 0.030 2 266 26 26 PRO HG3 H 1.817 0.030 2 267 26 26 PRO HD2 H 2.963 0.030 2 268 26 26 PRO HD3 H 2.725 0.030 2 269 26 26 PRO C C 175.407 0.300 1 270 26 26 PRO CA C 63.027 0.300 1 271 26 26 PRO CB C 32.670 0.300 1 272 26 26 PRO CG C 27.065 0.300 1 273 26 26 PRO CD C 51.235 0.300 1 274 27 27 ALA H H 9.489 0.030 1 275 27 27 ALA HA H 5.006 0.030 1 276 27 27 ALA HB H 0.882 0.030 1 277 27 27 ALA C C 174.362 0.300 1 278 27 27 ALA CA C 52.381 0.300 1 279 27 27 ALA CB C 23.679 0.300 1 280 27 27 ALA N N 129.809 0.300 1 281 28 28 ARG H H 8.648 0.030 1 282 28 28 ARG HA H 5.477 0.030 1 283 28 28 ARG HB2 H 1.504 0.030 2 284 28 28 ARG HB3 H 1.653 0.030 2 285 28 28 ARG HG2 H 1.255 0.030 2 286 28 28 ARG HG3 H 1.306 0.030 2 287 28 28 ARG HD2 H 3.068 0.030 1 288 28 28 ARG HD3 H 3.068 0.030 1 289 28 28 ARG HE H 6.931 0.030 1 290 28 28 ARG C C 174.940 0.300 1 291 28 28 ARG CA C 53.383 0.300 1 292 28 28 ARG CB C 34.730 0.300 1 293 28 28 ARG CG C 26.910 0.300 1 294 28 28 ARG CD C 43.753 0.300 1 295 28 28 ARG N N 115.409 0.300 1 296 28 28 ARG NE N 84.650 0.300 1 297 29 29 ILE H H 8.377 0.030 1 298 29 29 ILE HA H 4.306 0.030 1 299 29 29 ILE HB H 2.229 0.030 1 300 29 29 ILE HG12 H 1.194 0.030 2 301 29 29 ILE HG13 H 1.336 0.030 2 302 29 29 ILE HG2 H 0.878 0.030 1 303 29 29 ILE HD1 H 0.111 0.030 1 304 29 29 ILE C C 176.374 0.300 1 305 29 29 ILE CA C 59.570 0.300 1 306 29 29 ILE CB C 34.775 0.300 1 307 29 29 ILE CG1 C 27.038 0.300 1 308 29 29 ILE CG2 C 17.080 0.300 1 309 29 29 ILE CD1 C 10.552 0.300 1 310 29 29 ILE N N 122.021 0.300 1 311 30 30 ASP H H 8.906 0.030 1 312 30 30 ASP HA H 4.887 0.030 1 313 30 30 ASP HB2 H 2.583 0.030 2 314 30 30 ASP HB3 H 2.176 0.030 2 315 30 30 ASP C C 174.970 0.300 1 316 30 30 ASP CA C 52.864 0.300 1 317 30 30 ASP CB C 43.656 0.300 1 318 30 30 ASP N N 133.763 0.300 1 319 31 31 GLU H H 7.996 0.030 1 320 31 31 GLU HA H 4.337 0.030 1 321 31 31 GLU HB2 H 1.946 0.030 2 322 31 31 GLU HB3 H 1.765 0.030 2 323 31 31 GLU HG2 H 2.171 0.030 1 324 31 31 GLU HG3 H 2.171 0.030 1 325 31 31 GLU C C 175.883 0.300 1 326 31 31 GLU CA C 55.363 0.300 1 327 31 31 GLU CB C 31.457 0.300 1 328 31 31 GLU CG C 36.143 0.300 1 329 31 31 GLU N N 117.516 0.300 1 330 32 32 LEU H H 8.644 0.030 1 331 32 32 LEU HA H 4.597 0.030 1 332 32 32 LEU HB2 H 1.549 0.030 2 333 32 32 LEU HB3 H 1.664 0.030 2 334 32 32 LEU HG H 1.727 0.030 1 335 32 32 LEU HD1 H 1.066 0.030 1 336 32 32 LEU HD2 H 0.990 0.030 1 337 32 32 LEU CA C 52.691 0.300 1 338 32 32 LEU CB C 42.150 0.300 1 339 32 32 LEU CG C 27.050 0.300 1 340 32 32 LEU CD1 C 25.744 0.300 2 341 32 32 LEU CD2 C 24.109 0.300 2 342 32 32 LEU N N 125.194 0.300 1 343 33 33 PRO HA H 4.498 0.030 1 344 33 33 PRO HB2 H 2.335 0.030 2 345 33 33 PRO HB3 H 1.939 0.030 2 346 33 33 PRO HG2 H 2.034 0.030 1 347 33 33 PRO HG3 H 2.034 0.030 1 348 33 33 PRO HD2 H 3.881 0.030 2 349 33 33 PRO HD3 H 3.570 0.030 2 350 33 33 PRO C C 176.722 0.300 1 351 33 33 PRO CA C 62.366 0.300 1 352 33 33 PRO CB C 32.422 0.300 1 353 33 33 PRO CG C 27.244 0.300 1 354 33 33 PRO CD C 50.663 0.300 1 355 34 34 GLU H H 8.610 0.030 1 356 34 34 GLU HA H 4.104 0.030 1 357 34 34 GLU HB2 H 1.989 0.030 1 358 34 34 GLU HB3 H 1.989 0.030 1 359 34 34 GLU HG2 H 2.302 0.030 1 360 34 34 GLU HG3 H 2.302 0.030 1 361 34 34 GLU C C 177.744 0.300 1 362 34 34 GLU CA C 57.993 0.300 1 363 34 34 GLU CB C 29.556 0.300 1 364 34 34 GLU CG C 36.082 0.300 1 365 34 34 GLU N N 122.061 0.300 1 366 35 35 GLY H H 8.732 0.030 1 367 35 35 GLY HA2 H 4.134 0.030 2 368 35 35 GLY HA3 H 3.803 0.030 2 369 35 35 GLY C C 174.185 0.300 1 370 35 35 GLY CA C 45.172 0.300 1 371 35 35 GLY N N 112.446 0.300 1 372 36 36 ALA H H 7.648 0.030 1 373 36 36 ALA HA H 4.364 0.030 1 374 36 36 ALA HB H 1.451 0.030 1 375 36 36 ALA C C 177.736 0.300 1 376 36 36 ALA CA C 52.186 0.300 1 377 36 36 ALA CB C 20.048 0.300 1 378 36 36 ALA N N 122.763 0.300 1 379 37 37 VAL H H 8.147 0.030 1 380 37 37 VAL HA H 3.917 0.030 1 381 37 37 VAL HB H 2.016 0.030 1 382 37 37 VAL HG1 H 0.969 0.030 1 383 37 37 VAL HG2 H 1.005 0.030 1 384 37 37 VAL C C 175.591 0.300 1 385 37 37 VAL CA C 62.922 0.300 1 386 37 37 VAL CB C 32.285 0.300 1 387 37 37 VAL CG1 C 21.188 0.300 2 388 37 37 VAL CG2 C 21.177 0.300 2 389 37 37 VAL N N 120.624 0.300 1 390 38 38 LYS H H 8.231 0.030 1 391 38 38 LYS HA H 4.399 0.030 1 392 38 38 LYS HB2 H 1.658 0.030 2 393 38 38 LYS HB3 H 1.768 0.030 2 394 38 38 LYS HG2 H 1.463 0.030 2 395 38 38 LYS HG3 H 1.514 0.030 2 396 38 38 LYS HE2 H 3.014 0.030 1 397 38 38 LYS HE3 H 3.014 0.030 1 398 38 38 LYS C C 174.119 0.300 1 399 38 38 LYS CA C 54.237 0.300 1 400 38 38 LYS CB C 32.078 0.300 1 401 38 38 LYS CG C 24.761 0.300 1 402 38 38 LYS CE C 42.272 0.300 1 403 38 38 LYS N N 125.587 0.300 1 404 39 39 PRO HA H 3.973 0.030 1 405 39 39 PRO HB2 H 1.673 0.030 2 406 39 39 PRO HB3 H 1.567 0.030 2 407 39 39 PRO HG2 H 1.903 0.030 2 408 39 39 PRO HG3 H 1.679 0.030 2 409 39 39 PRO HD2 H 3.671 0.030 2 410 39 39 PRO HD3 H 3.565 0.030 2 411 39 39 PRO CA C 60.878 0.300 1 412 39 39 PRO CB C 30.354 0.300 1 413 39 39 PRO CG C 27.050 0.300 1 414 39 39 PRO CD C 50.380 0.300 1 415 40 40 PRO HA H 4.275 0.030 1 416 40 40 PRO HB2 H 2.228 0.030 2 417 40 40 PRO HB3 H 1.606 0.030 2 418 40 40 PRO HG2 H 1.697 0.030 2 419 40 40 PRO HG3 H 1.807 0.030 2 420 40 40 PRO HD2 H 3.213 0.030 2 421 40 40 PRO HD3 H 2.688 0.030 2 422 40 40 PRO C C 175.483 0.300 1 423 40 40 PRO CA C 62.225 0.300 1 424 40 40 PRO CB C 32.033 0.300 1 425 40 40 PRO CG C 27.417 0.300 1 426 40 40 PRO CD C 49.815 0.300 1 427 41 41 ALA H H 8.162 0.030 1 428 41 41 ALA HA H 3.990 0.030 1 429 41 41 ALA HB H 1.306 0.030 1 430 41 41 ALA C C 177.784 0.300 1 431 41 41 ALA CA C 53.217 0.300 1 432 41 41 ALA CB C 18.540 0.300 1 433 41 41 ALA N N 121.772 0.300 1 434 42 42 ASN H H 8.547 0.030 1 435 42 42 ASN HA H 4.259 0.030 1 436 42 42 ASN HB2 H 2.965 0.030 1 437 42 42 ASN HB3 H 2.965 0.030 1 438 42 42 ASN HD21 H 6.935 0.030 2 439 42 42 ASN HD22 H 7.545 0.030 2 440 42 42 ASN C C 173.940 0.300 1 441 42 42 ASN CA C 54.096 0.300 1 442 42 42 ASN CB C 37.705 0.300 1 443 42 42 ASN N N 113.499 0.300 1 444 42 42 ASN ND2 N 113.007 0.300 1 445 43 43 LYS H H 7.351 0.030 1 446 43 43 LYS HA H 4.596 0.030 1 447 43 43 LYS HB2 H 1.528 0.030 2 448 43 43 LYS HB3 H 1.413 0.030 2 449 43 43 LYS HG2 H 1.114 0.030 2 450 43 43 LYS HG3 H 1.350 0.030 2 451 43 43 LYS HD2 H 1.471 0.030 2 452 43 43 LYS HD3 H 1.338 0.030 2 453 43 43 LYS HE2 H 2.949 0.030 1 454 43 43 LYS HE3 H 2.949 0.030 1 455 43 43 LYS C C 174.431 0.300 1 456 43 43 LYS CA C 54.891 0.300 1 457 43 43 LYS CB C 36.769 0.300 1 458 43 43 LYS CG C 25.836 0.300 1 459 43 43 LYS CD C 29.556 0.300 1 460 43 43 LYS CE C 42.502 0.300 1 461 43 43 LYS N N 114.787 0.300 1 462 44 44 TYR H H 9.021 0.030 1 463 44 44 TYR HA H 4.922 0.030 1 464 44 44 TYR HB2 H 2.827 0.030 2 465 44 44 TYR HB3 H 2.563 0.030 2 466 44 44 TYR HD1 H 7.100 0.030 1 467 44 44 TYR HD2 H 7.100 0.030 1 468 44 44 TYR HE1 H 6.888 0.030 1 469 44 44 TYR HE2 H 6.888 0.030 1 470 44 44 TYR C C 173.227 0.300 1 471 44 44 TYR CA C 55.810 0.300 1 472 44 44 TYR CB C 40.896 0.300 1 473 44 44 TYR CD1 C 133.220 0.300 1 474 44 44 TYR CD2 C 133.220 0.300 1 475 44 44 TYR CE1 C 118.545 0.300 1 476 44 44 TYR CE2 C 118.545 0.300 1 477 44 44 TYR N N 118.370 0.300 1 478 45 45 PRO HA H 4.574 0.030 1 479 45 45 PRO HB2 H 2.003 0.030 2 480 45 45 PRO HB3 H 2.084 0.030 2 481 45 45 PRO HG2 H 1.948 0.030 2 482 45 45 PRO HG3 H 2.502 0.030 2 483 45 45 PRO HD2 H 3.985 0.030 1 484 45 45 PRO HD3 H 3.985 0.030 1 485 45 45 PRO C C 174.921 0.300 1 486 45 45 PRO CA C 62.191 0.300 1 487 45 45 PRO CB C 30.942 0.300 1 488 45 45 PRO CG C 27.305 0.300 1 489 45 45 PRO CD C 50.544 0.300 1 490 46 46 ILE H H 9.023 0.030 1 491 46 46 ILE HA H 4.568 0.030 1 492 46 46 ILE HB H 1.632 0.030 1 493 46 46 ILE HG12 H 0.833 0.030 2 494 46 46 ILE HG13 H 1.818 0.030 2 495 46 46 ILE HG2 H -0.168 0.030 1 496 46 46 ILE HD1 H 0.399 0.030 1 497 46 46 ILE C C 174.957 0.300 1 498 46 46 ILE CA C 57.208 0.300 1 499 46 46 ILE CB C 37.771 0.300 1 500 46 46 ILE CG1 C 27.298 0.300 1 501 46 46 ILE CG2 C 18.884 0.300 1 502 46 46 ILE CD1 C 12.018 0.300 1 503 46 46 ILE N N 126.020 0.300 1 504 47 47 PHE H H 8.622 0.030 1 505 47 47 PHE HA H 4.800 0.030 1 506 47 47 PHE HB2 H 2.757 0.030 2 507 47 47 PHE HB3 H 2.436 0.030 2 508 47 47 PHE HD1 H 6.436 0.030 1 509 47 47 PHE HD2 H 6.436 0.030 1 510 47 47 PHE HE1 H 7.005 0.030 1 511 47 47 PHE HE2 H 7.005 0.030 1 512 47 47 PHE HZ H 6.829 0.030 1 513 47 47 PHE C C 173.585 0.300 1 514 47 47 PHE CA C 56.063 0.300 1 515 47 47 PHE CB C 41.123 0.300 1 516 47 47 PHE CD1 C 132.021 0.300 1 517 47 47 PHE CD2 C 132.021 0.300 1 518 47 47 PHE CE1 C 130.667 0.300 1 519 47 47 PHE CE2 C 130.667 0.300 1 520 47 47 PHE CZ C 128.579 0.300 1 521 47 47 PHE N N 128.115 0.300 1 522 48 48 PHE H H 8.438 0.030 1 523 48 48 PHE HA H 4.251 0.030 1 524 48 48 PHE HB2 H 2.493 0.030 2 525 48 48 PHE HB3 H 2.383 0.030 2 526 48 48 PHE HD1 H 6.827 0.030 1 527 48 48 PHE HD2 H 6.827 0.030 1 528 48 48 PHE HE1 H 6.880 0.030 1 529 48 48 PHE HE2 H 6.880 0.030 1 530 48 48 PHE HZ H 6.763 0.030 1 531 48 48 PHE C C 175.906 0.300 1 532 48 48 PHE CA C 57.579 0.300 1 533 48 48 PHE CB C 38.951 0.300 1 534 48 48 PHE CD1 C 131.576 0.300 1 535 48 48 PHE CD2 C 131.576 0.300 1 536 48 48 PHE CE1 C 130.329 0.300 1 537 48 48 PHE CE2 C 130.329 0.300 1 538 48 48 PHE CZ C 128.477 0.300 1 539 48 48 PHE N N 125.442 0.300 1 540 49 49 PHE H H 8.735 0.030 1 541 49 49 PHE HA H 4.461 0.030 1 542 49 49 PHE HB2 H 3.788 0.030 2 543 49 49 PHE HB3 H 2.571 0.030 2 544 49 49 PHE HD1 H 7.450 0.030 1 545 49 49 PHE HD2 H 7.450 0.030 1 546 49 49 PHE HE1 H 7.257 0.030 1 547 49 49 PHE HE2 H 7.257 0.030 1 548 49 49 PHE HZ H 7.186 0.030 1 549 49 49 PHE C C 177.565 0.300 1 550 49 49 PHE CA C 60.158 0.300 1 551 49 49 PHE CB C 39.819 0.300 1 552 49 49 PHE CD1 C 131.249 0.300 1 553 49 49 PHE CD2 C 131.249 0.300 1 554 49 49 PHE CE1 C 131.288 0.300 1 555 49 49 PHE CE2 C 131.288 0.300 1 556 49 49 PHE CZ C 129.335 0.300 1 557 49 49 PHE N N 122.734 0.300 1 558 50 50 GLY H H 9.906 0.030 1 559 50 50 GLY HA2 H 5.192 0.030 2 560 50 50 GLY HA3 H 3.178 0.030 2 561 50 50 GLY C C 175.509 0.300 1 562 50 50 GLY CA C 47.124 0.300 1 563 50 50 GLY N N 113.843 0.300 1 564 51 51 THR H H 7.814 0.030 1 565 51 51 THR HA H 4.006 0.030 1 566 51 51 THR HB H 3.983 0.030 1 567 51 51 THR HG2 H 1.170 0.030 1 568 51 51 THR C C 175.925 0.300 1 569 51 51 THR CA C 61.984 0.300 1 570 51 51 THR CB C 68.440 0.300 1 571 51 51 THR CG2 C 23.544 0.300 1 572 51 51 THR N N 111.015 0.300 1 573 52 52 HIS H H 7.740 0.030 1 574 52 52 HIS HA H 3.816 0.030 1 575 52 52 HIS HB2 H 3.640 0.030 2 576 52 52 HIS HB3 H 3.455 0.030 2 577 52 52 HIS HD2 H 7.169 0.030 1 578 52 52 HIS HE1 H 8.642 0.030 1 579 52 52 HIS C C 173.769 0.300 1 580 52 52 HIS CA C 54.796 0.300 1 581 52 52 HIS CB C 25.887 0.300 1 582 52 52 HIS CD2 C 117.726 0.300 1 583 52 52 HIS CE1 C 135.871 0.300 1 584 52 52 HIS N N 115.616 0.300 1 585 53 53 GLU H H 6.741 0.030 1 586 53 53 GLU HA H 4.380 0.030 1 587 53 53 GLU HB2 H 1.813 0.030 2 588 53 53 GLU HB3 H 1.362 0.030 2 589 53 53 GLU HG2 H 1.981 0.030 1 590 53 53 GLU HG3 H 1.981 0.030 1 591 53 53 GLU C C 174.398 0.300 1 592 53 53 GLU CA C 55.475 0.300 1 593 53 53 GLU CB C 31.535 0.300 1 594 53 53 GLU CG C 36.407 0.300 1 595 53 53 GLU N N 117.448 0.300 1 596 54 54 THR H H 8.104 0.030 1 597 54 54 THR HA H 5.655 0.030 1 598 54 54 THR HB H 4.178 0.030 1 599 54 54 THR HG2 H 1.194 0.030 1 600 54 54 THR C C 174.398 0.300 1 601 54 54 THR CA C 59.483 0.300 1 602 54 54 THR CB C 72.358 0.300 1 603 54 54 THR CG2 C 21.812 0.300 1 604 54 54 THR N N 109.184 0.300 1 605 55 55 ALA H H 8.432 0.030 1 606 55 55 ALA HA H 4.435 0.030 1 607 55 55 ALA HB H 1.365 0.030 1 608 55 55 ALA C C 174.934 0.300 1 609 55 55 ALA CA C 51.443 0.300 1 610 55 55 ALA CB C 23.342 0.300 1 611 55 55 ALA N N 121.857 0.300 1 612 56 56 PHE H H 8.509 0.030 1 613 56 56 PHE HA H 5.798 0.030 1 614 56 56 PHE HB2 H 2.989 0.030 2 615 56 56 PHE HB3 H 2.634 0.030 2 616 56 56 PHE HD1 H 7.107 0.030 1 617 56 56 PHE HD2 H 7.107 0.030 1 618 56 56 PHE HE1 H 7.238 0.030 1 619 56 56 PHE HE2 H 7.238 0.030 1 620 56 56 PHE C C 175.624 0.300 1 621 56 56 PHE CA C 56.062 0.300 1 622 56 56 PHE CB C 40.637 0.300 1 623 56 56 PHE CD1 C 131.392 0.300 1 624 56 56 PHE CD2 C 131.392 0.300 1 625 56 56 PHE CE1 C 129.999 0.300 1 626 56 56 PHE CE2 C 129.999 0.300 1 627 56 56 PHE N N 117.833 0.300 1 628 57 57 LEU H H 8.598 0.030 1 629 57 57 LEU HA H 5.035 0.030 1 630 57 57 LEU HB2 H 1.527 0.030 2 631 57 57 LEU HB3 H 1.817 0.030 2 632 57 57 LEU HG H 1.557 0.030 1 633 57 57 LEU HD1 H 0.882 0.030 1 634 57 57 LEU HD2 H 1.147 0.030 1 635 57 57 LEU C C 176.176 0.300 1 636 57 57 LEU CA C 53.694 0.300 1 637 57 57 LEU CB C 47.430 0.300 1 638 57 57 LEU CG C 27.812 0.300 1 639 57 57 LEU CD1 C 26.732 0.300 2 640 57 57 LEU CD2 C 24.022 0.300 2 641 57 57 LEU N N 122.214 0.300 1 642 58 58 GLY H H 9.511 0.030 1 643 58 58 GLY HA2 H 4.075 0.030 2 644 58 58 GLY HA3 H 4.961 0.030 2 645 58 58 GLY C C 172.632 0.300 1 646 58 58 GLY CA C 44.153 0.300 1 647 58 58 GLY N N 108.980 0.300 1 648 59 59 PRO HA H 4.189 0.030 1 649 59 59 PRO HB2 H 2.294 0.030 2 650 59 59 PRO HB3 H 2.595 0.030 2 651 59 59 PRO HG2 H 2.291 0.030 2 652 59 59 PRO HG3 H 2.371 0.030 2 653 59 59 PRO HD2 H 4.033 0.030 2 654 59 59 PRO HD3 H 3.797 0.030 2 655 59 59 PRO C C 178.393 0.300 1 656 59 59 PRO CA C 65.214 0.300 1 657 59 59 PRO CB C 32.279 0.300 1 658 59 59 PRO CG C 27.973 0.300 1 659 59 59 PRO CD C 50.265 0.300 1 660 60 60 LYS H H 8.602 0.030 1 661 60 60 LYS HA H 4.186 0.030 1 662 60 60 LYS HB2 H 1.877 0.030 1 663 60 60 LYS HB3 H 1.877 0.030 1 664 60 60 LYS HG2 H 1.457 0.030 1 665 60 60 LYS HG3 H 1.457 0.030 1 666 60 60 LYS HD2 H 1.727 0.030 1 667 60 60 LYS HD3 H 1.727 0.030 1 668 60 60 LYS HE2 H 3.078 0.030 1 669 60 60 LYS HE3 H 3.078 0.030 1 670 60 60 LYS C C 176.732 0.300 1 671 60 60 LYS CA C 58.316 0.300 1 672 60 60 LYS CB C 31.502 0.300 1 673 60 60 LYS CG C 24.615 0.300 1 674 60 60 LYS CD C 29.169 0.300 1 675 60 60 LYS CE C 42.157 0.300 1 676 60 60 LYS N N 117.407 0.300 1 677 61 61 ASP H H 7.748 0.030 1 678 61 61 ASP HA H 5.037 0.030 1 679 61 61 ASP HB2 H 3.755 0.030 2 680 61 61 ASP HB3 H 2.623 0.030 2 681 61 61 ASP C C 173.203 0.300 1 682 61 61 ASP CA C 54.307 0.300 1 683 61 61 ASP CB C 43.711 0.300 1 684 61 61 ASP N N 118.021 0.300 1 685 62 62 LEU H H 6.957 0.030 1 686 62 62 LEU HA H 5.171 0.030 1 687 62 62 LEU HB2 H 0.569 0.030 2 688 62 62 LEU HB3 H 1.449 0.030 2 689 62 62 LEU HG H 1.641 0.030 1 690 62 62 LEU HD1 H 0.096 0.030 1 691 62 62 LEU HD2 H 0.551 0.030 1 692 62 62 LEU C C 175.154 0.300 1 693 62 62 LEU CA C 53.486 0.300 1 694 62 62 LEU CB C 45.643 0.300 1 695 62 62 LEU CG C 25.346 0.300 1 696 62 62 LEU CD1 C 25.860 0.300 2 697 62 62 LEU CD2 C 23.838 0.300 2 698 62 62 LEU N N 118.250 0.300 1 699 63 63 PHE H H 8.523 0.030 1 700 63 63 PHE HA H 4.896 0.030 1 701 63 63 PHE HB2 H 2.528 0.030 2 702 63 63 PHE HB3 H 2.770 0.030 2 703 63 63 PHE HD1 H 6.717 0.030 1 704 63 63 PHE HD2 H 6.717 0.030 1 705 63 63 PHE HE1 H 7.229 0.030 1 706 63 63 PHE HE2 H 7.229 0.030 1 707 63 63 PHE HZ H 7.438 0.030 1 708 63 63 PHE C C 173.616 0.300 1 709 63 63 PHE CA C 54.559 0.300 1 710 63 63 PHE CB C 41.406 0.300 1 711 63 63 PHE CD1 C 132.141 0.300 1 712 63 63 PHE CD2 C 132.141 0.300 1 713 63 63 PHE CE1 C 130.949 0.300 1 714 63 63 PHE CE2 C 130.949 0.300 1 715 63 63 PHE CZ C 131.227 0.300 1 716 63 63 PHE N N 117.771 0.300 1 717 64 64 PRO HA H 4.694 0.030 1 718 64 64 PRO HB2 H 2.497 0.030 2 719 64 64 PRO HB3 H 2.763 0.030 2 720 64 64 PRO HG2 H 2.381 0.030 2 721 64 64 PRO HG3 H 2.544 0.030 2 722 64 64 PRO HD2 H 4.313 0.030 2 723 64 64 PRO HD3 H 4.070 0.030 2 724 64 64 PRO C C 177.180 0.300 1 725 64 64 PRO CA C 64.814 0.300 1 726 64 64 PRO CB C 32.915 0.300 1 727 64 64 PRO CG C 28.570 0.300 1 728 64 64 PRO CD C 51.226 0.300 1 729 65 65 TYR H H 8.263 0.030 1 730 65 65 TYR HA H 4.350 0.030 1 731 65 65 TYR HB2 H 2.618 0.030 2 732 65 65 TYR HB3 H 2.733 0.030 2 733 65 65 TYR HD1 H 6.570 0.030 1 734 65 65 TYR HD2 H 6.570 0.030 1 735 65 65 TYR HE1 H 6.564 0.030 1 736 65 65 TYR HE2 H 6.564 0.030 1 737 65 65 TYR C C 176.785 0.300 1 738 65 65 TYR CA C 61.873 0.300 1 739 65 65 TYR CB C 39.853 0.300 1 740 65 65 TYR CD1 C 133.744 0.300 1 741 65 65 TYR CD2 C 133.744 0.300 1 742 65 65 TYR CE1 C 117.375 0.300 1 743 65 65 TYR CE2 C 117.375 0.300 1 744 65 65 TYR N N 124.320 0.300 1 745 66 66 LYS H H 9.039 0.030 1 746 66 66 LYS HA H 3.530 0.030 1 747 66 66 LYS HB2 H 1.857 0.030 2 748 66 66 LYS HB3 H 1.947 0.030 2 749 66 66 LYS HG2 H 1.452 0.030 2 750 66 66 LYS HG3 H 1.637 0.030 2 751 66 66 LYS HD2 H 1.763 0.030 1 752 66 66 LYS HD3 H 1.763 0.030 1 753 66 66 LYS HE2 H 3.070 0.030 1 754 66 66 LYS HE3 H 3.070 0.030 1 755 66 66 LYS C C 179.261 0.300 1 756 66 66 LYS CA C 60.165 0.300 1 757 66 66 LYS CB C 31.701 0.300 1 758 66 66 LYS CG C 25.465 0.300 1 759 66 66 LYS CD C 29.355 0.300 1 760 66 66 LYS CE C 41.951 0.300 1 761 66 66 LYS N N 116.706 0.300 1 762 67 67 GLU H H 7.841 0.030 1 763 67 67 GLU HA H 4.012 0.030 1 764 67 67 GLU HB2 H 2.125 0.030 2 765 67 67 GLU HB3 H 1.924 0.030 2 766 67 67 GLU HG2 H 2.145 0.030 1 767 67 67 GLU HG3 H 2.145 0.030 1 768 67 67 GLU C C 177.292 0.300 1 769 67 67 GLU CA C 58.477 0.300 1 770 67 67 GLU CB C 30.518 0.300 1 771 67 67 GLU CG C 36.654 0.300 1 772 67 67 GLU N N 116.340 0.300 1 773 68 68 TYR H H 7.553 0.030 1 774 68 68 TYR HA H 4.354 0.030 1 775 68 68 TYR HB2 H 3.057 0.030 2 776 68 68 TYR HB3 H 2.792 0.030 2 777 68 68 TYR HD1 H 7.063 0.030 1 778 68 68 TYR HD2 H 7.063 0.030 1 779 68 68 TYR HE1 H 6.933 0.030 1 780 68 68 TYR HE2 H 6.933 0.030 1 781 68 68 TYR C C 175.876 0.300 1 782 68 68 TYR CA C 59.421 0.300 1 783 68 68 TYR CB C 39.180 0.300 1 784 68 68 TYR CD1 C 133.859 0.300 1 785 68 68 TYR CD2 C 133.859 0.300 1 786 68 68 TYR CE1 C 118.288 0.300 1 787 68 68 TYR CE2 C 118.288 0.300 1 788 68 68 TYR N N 113.768 0.300 1 789 69 69 LYS H H 7.844 0.030 1 790 69 69 LYS HA H 3.877 0.030 1 791 69 69 LYS HB2 H 1.516 0.030 2 792 69 69 LYS HB3 H 1.673 0.030 2 793 69 69 LYS HG2 H 1.240 0.030 2 794 69 69 LYS HG3 H 1.354 0.030 2 795 69 69 LYS HD2 H 1.477 0.030 1 796 69 69 LYS HD3 H 1.477 0.030 1 797 69 69 LYS HE2 H 2.994 0.030 1 798 69 69 LYS HE3 H 2.994 0.030 1 799 69 69 LYS C C 177.860 0.300 1 800 69 69 LYS CA C 61.017 0.300 1 801 69 69 LYS CB C 31.570 0.300 1 802 69 69 LYS CG C 24.195 0.300 1 803 69 69 LYS CD C 29.569 0.300 1 804 69 69 LYS CE C 42.173 0.300 1 805 69 69 LYS N N 124.948 0.300 1 806 70 70 ASP H H 8.508 0.030 1 807 70 70 ASP HA H 4.335 0.030 1 808 70 70 ASP HB2 H 2.500 0.030 2 809 70 70 ASP HB3 H 2.556 0.030 2 810 70 70 ASP C C 176.268 0.300 1 811 70 70 ASP CA C 56.248 0.300 1 812 70 70 ASP CB C 39.963 0.300 1 813 70 70 ASP N N 118.062 0.300 1 814 71 71 LYS H H 7.184 0.030 1 815 71 71 LYS HA H 4.009 0.030 1 816 71 71 LYS HB2 H 1.012 0.030 2 817 71 71 LYS HB3 H 1.118 0.030 2 818 71 71 LYS HG2 H 0.815 0.030 2 819 71 71 LYS HG3 H 1.020 0.030 2 820 71 71 LYS HD2 H 1.210 0.030 2 821 71 71 LYS HD3 H 1.272 0.030 2 822 71 71 LYS HE2 H 2.753 0.030 2 823 71 71 LYS HE3 H 2.793 0.030 2 824 71 71 LYS C C 177.906 0.300 1 825 71 71 LYS CA C 57.624 0.300 1 826 71 71 LYS CB C 33.392 0.300 1 827 71 71 LYS CG C 24.703 0.300 1 828 71 71 LYS CD C 29.033 0.300 1 829 71 71 LYS CE C 41.850 0.300 1 830 71 71 LYS N N 117.976 0.300 1 831 72 72 PHE H H 7.594 0.030 1 832 72 72 PHE HA H 4.905 0.030 1 833 72 72 PHE HB2 H 2.550 0.030 2 834 72 72 PHE HB3 H 0.766 0.030 2 835 72 72 PHE HD1 H 6.391 0.030 1 836 72 72 PHE HD2 H 6.391 0.030 1 837 72 72 PHE HE1 H 6.157 0.030 1 838 72 72 PHE HE2 H 6.157 0.030 1 839 72 72 PHE HZ H 6.073 0.030 1 840 72 72 PHE C C 177.267 0.300 1 841 72 72 PHE CA C 54.485 0.300 1 842 72 72 PHE CB C 38.093 0.300 1 843 72 72 PHE CD1 C 128.993 0.300 1 844 72 72 PHE CD2 C 128.993 0.300 1 845 72 72 PHE CE1 C 131.120 0.300 1 846 72 72 PHE CE2 C 131.120 0.300 1 847 72 72 PHE CZ C 128.610 0.300 1 848 72 72 PHE N N 113.217 0.300 1 849 73 73 GLY H H 8.159 0.030 1 850 73 73 GLY HA2 H 4.568 0.030 2 851 73 73 GLY HA3 H 3.956 0.030 2 852 73 73 GLY C C 173.573 0.300 1 853 73 73 GLY CA C 46.667 0.300 1 854 73 73 GLY N N 110.454 0.300 1 855 74 74 LYS H H 7.400 0.030 1 856 74 74 LYS HA H 4.506 0.030 1 857 74 74 LYS HB2 H 1.868 0.030 2 858 74 74 LYS HB3 H 1.722 0.030 2 859 74 74 LYS HG2 H 1.382 0.030 1 860 74 74 LYS HG3 H 1.382 0.030 1 861 74 74 LYS HD2 H 1.685 0.030 1 862 74 74 LYS HD3 H 1.685 0.030 1 863 74 74 LYS HE2 H 3.024 0.030 1 864 74 74 LYS HE3 H 3.024 0.030 1 865 74 74 LYS C C 175.786 0.300 1 866 74 74 LYS CA C 54.954 0.300 1 867 74 74 LYS CB C 33.831 0.300 1 868 74 74 LYS CG C 24.722 0.300 1 869 74 74 LYS CD C 28.971 0.300 1 870 74 74 LYS CE C 42.337 0.300 1 871 74 74 LYS N N 120.296 0.300 1 872 75 75 SER H H 8.308 0.030 1 873 75 75 SER HA H 4.417 0.030 1 874 75 75 SER HB2 H 3.902 0.030 1 875 75 75 SER HB3 H 3.902 0.030 1 876 75 75 SER C C 173.769 0.300 1 877 75 75 SER CA C 59.463 0.300 1 878 75 75 SER CB C 63.758 0.300 1 879 75 75 SER N N 116.389 0.300 1 880 76 76 ASN H H 8.583 0.030 1 881 76 76 ASN HA H 4.698 0.030 1 882 76 76 ASN HB2 H 2.367 0.030 2 883 76 76 ASN HB3 H 2.130 0.030 2 884 76 76 ASN HD21 H 7.044 0.030 2 885 76 76 ASN C C 174.299 0.300 1 886 76 76 ASN CA C 52.888 0.300 1 887 76 76 ASN CB C 41.145 0.300 1 888 76 76 ASN N N 121.162 0.300 1 889 76 76 ASN ND2 N 111.048 0.300 1 890 77 77 LYS H H 8.342 0.030 1 891 77 77 LYS HA H 4.360 0.030 1 892 77 77 LYS HB2 H 2.030 0.030 2 893 77 77 LYS HB3 H 1.768 0.030 2 894 77 77 LYS HG2 H 1.461 0.030 1 895 77 77 LYS HG3 H 1.461 0.030 1 896 77 77 LYS HD2 H 1.693 0.030 1 897 77 77 LYS HD3 H 1.693 0.030 1 898 77 77 LYS HE2 H 3.016 0.030 1 899 77 77 LYS HE3 H 3.016 0.030 1 900 77 77 LYS C C 177.492 0.300 1 901 77 77 LYS CA C 56.514 0.300 1 902 77 77 LYS CB C 32.561 0.300 1 903 77 77 LYS CG C 24.980 0.300 1 904 77 77 LYS CD C 29.047 0.300 1 905 77 77 LYS CE C 42.083 0.300 1 906 77 77 LYS N N 119.266 0.300 1 907 78 78 ARG H H 8.796 0.030 1 908 78 78 ARG HA H 4.293 0.030 1 909 78 78 ARG HB2 H 2.046 0.030 1 910 78 78 ARG HB3 H 2.046 0.030 1 911 78 78 ARG HG2 H 1.802 0.030 2 912 78 78 ARG HG3 H 1.863 0.030 2 913 78 78 ARG HD2 H 3.324 0.030 2 914 78 78 ARG HD3 H 3.394 0.030 2 915 78 78 ARG C C 177.690 0.300 1 916 78 78 ARG CA C 55.958 0.300 1 917 78 78 ARG CB C 29.762 0.300 1 918 78 78 ARG CG C 27.938 0.300 1 919 78 78 ARG CD C 42.514 0.300 1 920 78 78 ARG N N 122.149 0.300 1 921 79 79 LYS H H 8.934 0.030 1 922 79 79 LYS HA H 4.234 0.030 1 923 79 79 LYS HB2 H 1.978 0.030 2 924 79 79 LYS HB3 H 1.905 0.030 2 925 79 79 LYS HG2 H 1.580 0.030 2 926 79 79 LYS HG3 H 1.455 0.030 2 927 79 79 LYS HD2 H 1.757 0.030 1 928 79 79 LYS HD3 H 1.757 0.030 1 929 79 79 LYS HE2 H 3.056 0.030 1 930 79 79 LYS HE3 H 3.056 0.030 1 931 79 79 LYS C C 177.156 0.300 1 932 79 79 LYS CA C 58.874 0.300 1 933 79 79 LYS CB C 32.184 0.300 1 934 79 79 LYS CG C 24.641 0.300 1 935 79 79 LYS CD C 29.303 0.300 1 936 79 79 LYS CE C 42.237 0.300 1 937 79 79 LYS N N 128.415 0.300 1 938 80 80 GLY H H 8.925 0.030 1 939 80 80 GLY HA2 H 4.391 0.030 2 940 80 80 GLY HA3 H 3.822 0.030 2 941 80 80 GLY C C 175.019 0.300 1 942 80 80 GLY CA C 46.007 0.300 1 943 80 80 GLY N N 114.601 0.300 1 944 81 81 PHE H H 8.287 0.030 1 945 81 81 PHE HA H 3.359 0.030 1 946 81 81 PHE HB2 H 3.079 0.030 2 947 81 81 PHE HB3 H 2.337 0.030 2 948 81 81 PHE HD1 H 6.105 0.030 1 949 81 81 PHE HD2 H 6.105 0.030 1 950 81 81 PHE HE1 H 7.535 0.030 1 951 81 81 PHE HE2 H 7.535 0.030 1 952 81 81 PHE HZ H 7.655 0.030 1 953 81 81 PHE C C 177.297 0.300 1 954 81 81 PHE CA C 63.082 0.300 1 955 81 81 PHE CB C 39.804 0.300 1 956 81 81 PHE CD1 C 131.251 0.300 1 957 81 81 PHE CD2 C 131.251 0.300 1 958 81 81 PHE CE1 C 132.027 0.300 1 959 81 81 PHE CE2 C 132.027 0.300 1 960 81 81 PHE CZ C 129.297 0.300 1 961 81 81 PHE N N 123.730 0.300 1 962 82 82 ASN H H 9.142 0.030 1 963 82 82 ASN HA H 4.435 0.030 1 964 82 82 ASN HB2 H 2.832 0.030 1 965 82 82 ASN HB3 H 2.832 0.030 1 966 82 82 ASN HD21 H 6.692 0.030 2 967 82 82 ASN HD22 H 7.454 0.030 2 968 82 82 ASN C C 179.807 0.300 1 969 82 82 ASN CA C 56.070 0.300 1 970 82 82 ASN CB C 36.674 0.300 1 971 82 82 ASN N N 119.745 0.300 1 972 82 82 ASN ND2 N 109.363 0.300 1 973 83 83 GLU H H 9.571 0.030 1 974 83 83 GLU HA H 4.172 0.030 1 975 83 83 GLU HB2 H 2.099 0.030 2 976 83 83 GLU HB3 H 2.173 0.030 2 977 83 83 GLU HG2 H 2.331 0.030 2 978 83 83 GLU HG3 H 2.650 0.030 2 979 83 83 GLU C C 179.198 0.300 1 980 83 83 GLU CA C 60.935 0.300 1 981 83 83 GLU CB C 28.172 0.300 1 982 83 83 GLU CG C 37.395 0.300 1 983 83 83 GLU N N 123.677 0.300 1 984 84 84 GLY H H 8.321 0.030 1 985 84 84 GLY HA2 H 3.427 0.030 2 986 84 84 GLY HA3 H 3.881 0.030 2 987 84 84 GLY C C 174.970 0.300 1 988 84 84 GLY CA C 46.619 0.300 1 989 84 84 GLY N N 110.843 0.300 1 990 85 85 LEU H H 8.255 0.030 1 991 85 85 LEU HA H 3.983 0.030 1 992 85 85 LEU HB2 H 1.500 0.030 2 993 85 85 LEU HB3 H 1.999 0.030 2 994 85 85 LEU HG H 1.012 0.030 1 995 85 85 LEU HD1 H 0.866 0.030 1 996 85 85 LEU HD2 H 1.503 0.030 1 997 85 85 LEU C C 179.149 0.300 1 998 85 85 LEU CA C 56.819 0.300 1 999 85 85 LEU CB C 41.089 0.300 1 1000 85 85 LEU CG C 25.832 0.300 1 1001 85 85 LEU CD1 C 21.675 0.300 2 1002 85 85 LEU CD2 C 25.823 0.300 2 1003 85 85 LEU N N 121.480 0.300 1 1004 86 86 TRP H H 7.767 0.030 1 1005 86 86 TRP HA H 4.226 0.030 1 1006 86 86 TRP HB2 H 3.592 0.030 2 1007 86 86 TRP HB3 H 3.324 0.030 2 1008 86 86 TRP HD1 H 7.283 0.030 1 1009 86 86 TRP HE1 H 10.132 0.030 1 1010 86 86 TRP HE3 H 7.564 0.030 1 1011 86 86 TRP HZ2 H 7.445 0.030 1 1012 86 86 TRP HH2 H 7.233 0.030 1 1013 86 86 TRP C C 179.115 0.300 1 1014 86 86 TRP CA C 61.216 0.300 1 1015 86 86 TRP CB C 28.537 0.300 1 1016 86 86 TRP CD1 C 127.218 0.300 1 1017 86 86 TRP CE3 C 120.654 0.300 1 1018 86 86 TRP CZ2 C 114.662 0.300 1 1019 86 86 TRP CZ3 C 121.959 0.300 1 1020 86 86 TRP CH2 C 124.685 0.300 1 1021 86 86 TRP N N 119.902 0.300 1 1022 86 86 TRP NE1 N 129.870 0.300 1 1023 87 87 GLU H H 8.636 0.030 1 1024 87 87 GLU HA H 3.614 0.030 1 1025 87 87 GLU HB2 H 2.106 0.030 2 1026 87 87 GLU HB3 H 2.281 0.030 2 1027 87 87 GLU HG2 H 3.127 0.030 2 1028 87 87 GLU HG3 H 2.605 0.030 2 1029 87 87 GLU C C 179.685 0.300 1 1030 87 87 GLU CA C 59.716 0.300 1 1031 87 87 GLU CB C 30.797 0.300 1 1032 87 87 GLU CG C 36.815 0.300 1 1033 87 87 GLU N N 119.255 0.300 1 1034 88 88 ILE H H 7.806 0.030 1 1035 88 88 ILE HA H 2.685 0.030 1 1036 88 88 ILE HB H 0.882 0.030 1 1037 88 88 ILE HG12 H -0.001 0.030 2 1038 88 88 ILE HG13 H 0.964 0.030 2 1039 88 88 ILE HG2 H 0.779 0.030 1 1040 88 88 ILE HD1 H 0.376 0.030 1 1041 88 88 ILE C C 176.200 0.300 1 1042 88 88 ILE CA C 65.039 0.300 1 1043 88 88 ILE CB C 37.253 0.300 1 1044 88 88 ILE CG1 C 30.931 0.300 1 1045 88 88 ILE CG2 C 16.994 0.300 1 1046 88 88 ILE CD1 C 15.152 0.300 1 1047 88 88 ILE N N 118.773 0.300 1 1048 89 89 GLU H H 6.681 0.030 1 1049 89 89 GLU HA H 3.990 0.030 1 1050 89 89 GLU HB2 H 1.789 0.030 2 1051 89 89 GLU HB3 H 1.972 0.030 2 1052 89 89 GLU HG2 H 2.189 0.030 2 1053 89 89 GLU HG3 H 2.363 0.030 2 1054 89 89 GLU C C 176.688 0.300 1 1055 89 89 GLU CA C 57.230 0.300 1 1056 89 89 GLU CB C 30.280 0.300 1 1057 89 89 GLU CG C 36.483 0.300 1 1058 89 89 GLU N N 120.000 0.300 1 1059 90 90 ASN H H 7.153 0.030 1 1060 90 90 ASN HA H 4.563 0.030 1 1061 90 90 ASN HB2 H 2.261 0.030 2 1062 90 90 ASN HB3 H 1.414 0.030 2 1063 90 90 ASN HD21 H 6.168 0.030 2 1064 90 90 ASN HD22 H 6.628 0.030 2 1065 90 90 ASN C C 174.382 0.300 1 1066 90 90 ASN CA C 53.462 0.300 1 1067 90 90 ASN CB C 39.379 0.300 1 1068 90 90 ASN N N 116.530 0.300 1 1069 90 90 ASN ND2 N 115.384 0.300 1 1070 91 91 SER H H 7.428 0.030 1 1071 91 91 SER HA H 4.433 0.030 1 1072 91 91 SER HB2 H 3.891 0.030 2 1073 91 91 SER HB3 H 3.849 0.030 2 1074 91 91 SER C C 174.447 0.300 1 1075 91 91 SER CA C 59.025 0.300 1 1076 91 91 SER CB C 63.887 0.300 1 1077 91 91 SER N N 114.796 0.300 1 1078 92 92 GLY H H 8.140 0.030 1 1079 92 92 GLY HA2 H 4.062 0.030 2 1080 92 92 GLY HA3 H 4.157 0.030 2 1081 92 92 GLY C C 171.808 0.300 1 1082 92 92 GLY CA C 44.941 0.300 1 1083 92 92 GLY N N 110.702 0.300 1 1084 93 93 PRO HA H 4.509 0.030 1 1085 93 93 PRO HB2 H 1.990 0.030 2 1086 93 93 PRO HB3 H 2.329 0.030 2 1087 93 93 PRO HG2 H 2.035 0.030 1 1088 93 93 PRO HG3 H 2.035 0.030 1 1089 93 93 PRO HD2 H 3.641 0.030 1 1090 93 93 PRO HD3 H 3.641 0.030 1 1091 93 93 PRO C C 177.460 0.300 1 1092 93 93 PRO CA C 63.292 0.300 1 1093 93 93 PRO CB C 32.281 0.300 1 1094 93 93 PRO CG C 27.196 0.300 1 1095 93 93 PRO CD C 49.923 0.300 1 1096 94 94 SER H H 8.537 0.030 1 1097 94 94 SER HA H 4.483 0.030 1 1098 94 94 SER HB2 H 3.901 0.030 1 1099 94 94 SER HB3 H 3.901 0.030 1 1100 94 94 SER C C 174.749 0.300 1 1101 94 94 SER CA C 58.446 0.300 1 1102 94 94 SER CB C 63.769 0.300 1 1103 94 94 SER N N 116.433 0.300 1 1104 95 95 SER H H 8.329 0.030 1 1105 95 95 SER HA H 4.498 0.030 1 1106 95 95 SER HB2 H 3.909 0.030 1 1107 95 95 SER HB3 H 3.909 0.030 1 1108 95 95 SER C C 174.007 0.300 1 1109 95 95 SER CA C 58.426 0.300 1 1110 95 95 SER CB C 64.126 0.300 1 1111 95 95 SER N N 117.879 0.300 1 1112 96 96 GLY H H 8.053 0.030 1 1113 96 96 GLY C C 179.041 0.300 1 1114 96 96 GLY CA C 46.283 0.300 1 1115 96 96 GLY N N 116.838 0.300 1 stop_ save_