data_11338 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the RWD domain of human RWD domain containing protein 1 ; _BMRB_accession_number 11338 _BMRB_flat_file_name bmr11338.str _Entry_type original _Submission_date 2010-08-10 _Accession_date 2010-08-10 _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 Yoneyama M. . . 2 Tomizawa T. . . 3 Koshiba S. . . 4 Watabe S. . . 5 Harada T. . . 6 Kigawa T. . . 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" 726 "13C chemical shifts" 552 "15N chemical shifts" 130 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-08-19 original author . stop_ _Original_release_date 2011-08-19 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of the RWD domain of human RWD domain containing protein 1' _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 Yoneyama M. . . 2 Tomizawa T. . . 3 Koshiba S. . . 4 Watabe S. . . 5 Harada T. . . 6 Kigawa T. . . 7 Yokoyama S. . . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'RWD domain-containing protein 1' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'RWD 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 'RWD domain' _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 128 _Mol_residue_sequence ; GSSGSSGMTDYGEEQRNELE ALESIYPDSFTVLSENPPSF TITVTSEAGENDETVQTTLK FTYSEKYPDEAPLYEIFSQE NLEDNDVSDILKLLALQAEE NLGMVMIFTLVTAVQEKLNE IVDQIKTR ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 MET 9 THR 10 ASP 11 TYR 12 GLY 13 GLU 14 GLU 15 GLN 16 ARG 17 ASN 18 GLU 19 LEU 20 GLU 21 ALA 22 LEU 23 GLU 24 SER 25 ILE 26 TYR 27 PRO 28 ASP 29 SER 30 PHE 31 THR 32 VAL 33 LEU 34 SER 35 GLU 36 ASN 37 PRO 38 PRO 39 SER 40 PHE 41 THR 42 ILE 43 THR 44 VAL 45 THR 46 SER 47 GLU 48 ALA 49 GLY 50 GLU 51 ASN 52 ASP 53 GLU 54 THR 55 VAL 56 GLN 57 THR 58 THR 59 LEU 60 LYS 61 PHE 62 THR 63 TYR 64 SER 65 GLU 66 LYS 67 TYR 68 PRO 69 ASP 70 GLU 71 ALA 72 PRO 73 LEU 74 TYR 75 GLU 76 ILE 77 PHE 78 SER 79 GLN 80 GLU 81 ASN 82 LEU 83 GLU 84 ASP 85 ASN 86 ASP 87 VAL 88 SER 89 ASP 90 ILE 91 LEU 92 LYS 93 LEU 94 LEU 95 ALA 96 LEU 97 GLN 98 ALA 99 GLU 100 GLU 101 ASN 102 LEU 103 GLY 104 MET 105 VAL 106 MET 107 ILE 108 PHE 109 THR 110 LEU 111 VAL 112 THR 113 ALA 114 VAL 115 GLN 116 GLU 117 LYS 118 LEU 119 ASN 120 GLU 121 ILE 122 VAL 123 ASP 124 GLN 125 ILE 126 LYS 127 THR 128 ARG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 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 2EBM "Solution Structure Of The Rwd Domain Of Human Rwd Domain Containing Protein 1" 100.00 128 100.00 100.00 8.61e-85 DBJ BAB23927 "unnamed protein product [Mus musculus]" 94.53 243 98.35 99.17 1.63e-76 DBJ BAB27511 "unnamed protein product [Mus musculus]" 94.53 243 98.35 99.17 1.63e-76 DBJ BAB28287 "unnamed protein product [Mus musculus]" 70.31 111 97.78 97.78 4.43e-54 DBJ BAF83416 "unnamed protein product [Homo sapiens]" 94.53 243 100.00 100.00 3.05e-78 DBJ BAI46567 "RWD domain containing 1 [synthetic construct]" 94.53 243 100.00 100.00 3.05e-78 EMBL CAC24710 "small androgen receptor-interacting protein [Rattus norvegicus]" 94.53 243 100.00 100.00 3.70e-78 GB AAD27733 "CGI-24 protein [Homo sapiens]" 92.97 241 100.00 100.00 2.07e-76 GB AAD40376 "PTD013 [Homo sapiens]" 94.53 243 100.00 100.00 2.98e-78 GB AAH15802 "RWD domain containing 1 [Homo sapiens]" 94.53 243 100.00 100.00 3.05e-78 GB AAH62136 "RWD domain containing 1 [Mus musculus]" 94.53 243 98.35 99.17 1.63e-76 GB AAI02911 "RWD domain containing 1 [Bos taurus]" 94.53 243 97.52 99.17 3.30e-76 REF NP_001029898 "RWD domain-containing protein 1 [Bos taurus]" 94.53 243 97.52 99.17 3.30e-76 REF NP_001253784 "RWD domain-containing protein 1 [Macaca mulatta]" 94.53 243 100.00 100.00 3.05e-78 REF NP_001296170 "RWD domain containing 1 [Equus caballus]" 94.53 243 100.00 100.00 3.29e-78 REF NP_057036 "RWD domain-containing protein 1 isoform a [Homo sapiens]" 94.53 243 100.00 100.00 3.05e-78 REF NP_079890 "RWD domain-containing protein 1 [Mus musculus]" 94.53 243 98.35 99.17 1.63e-76 SP Q99ND9 "RecName: Full=RWD domain-containing protein 1; AltName: Full=Small androgen receptor-interacting protein" 94.53 243 100.00 100.00 3.70e-78 SP Q9CQK7 "RecName: Full=RWD domain-containing protein 1; AltName: Full=DRG family-regulatory protein 2; AltName: Full=IH1" 94.53 243 98.35 99.17 1.63e-76 SP Q9H446 "RecName: Full=RWD domain-containing protein 1; AltName: Full=DRG family-regulatory protein 2" 94.53 243 100.00 100.00 3.05e-78 TPG DAA26307 "TPA: RWD domain containing 1 [Bos taurus]" 94.53 243 97.52 99.17 3.30e-76 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 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' 'E. coli' Escherichia coli . plasmid P060522-12 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1.19mM RWD domain {U-15N,13C;} 20mM d-Tris-HCl(pH {7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 10% D2O, 90% H2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.19 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM 'natural abundance' NaCl 100 mM 'natural abundance' d-DTT 1 mM 'natural abundance' NaN3 0.02 % 'natural abundance' H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Saveframe_category software _Name xwinnmr _Version 3.5 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 20030801 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRVIEW _Saveframe_category software _Name NMRView _Version 5.0.4 loop_ _Vendor _Address _Electronic_address 'Johnson, B. A.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_Kujira _Saveframe_category software _Name Kujira _Version 0.9820 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.0.17 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_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' 120 0.1 mM pH 7.0 0.05 pH pressure 1 0.001 atm temperature 296 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 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $XWINNMR $NMRPipe $NMRVIEW $Kujira $CYANA 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 'RWD 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 6 6 SER HA H 4.478 0.030 1 2 6 6 SER HB2 H 3.903 0.030 1 3 6 6 SER HB3 H 3.903 0.030 1 4 6 6 SER C C 175.057 0.300 1 5 6 6 SER CA C 58.709 0.300 1 6 6 6 SER CB C 63.883 0.300 1 7 7 7 GLY H H 8.400 0.030 1 8 7 7 GLY HA2 H 3.991 0.030 2 9 7 7 GLY HA3 H 3.963 0.030 2 10 7 7 GLY C C 173.910 0.300 1 11 7 7 GLY CA C 45.374 0.300 1 12 7 7 GLY N N 110.742 0.300 1 13 8 8 MET H H 8.134 0.030 1 14 8 8 MET HA H 4.521 0.030 1 15 8 8 MET HB2 H 2.054 0.030 2 16 8 8 MET HB3 H 1.936 0.030 2 17 8 8 MET HG2 H 2.547 0.030 2 18 8 8 MET HG3 H 2.483 0.030 2 19 8 8 MET C C 175.973 0.300 1 20 8 8 MET CA C 55.162 0.300 1 21 8 8 MET CB C 33.268 0.300 1 22 8 8 MET CG C 32.518 0.300 1 23 8 8 MET N N 119.779 0.300 1 24 9 9 THR H H 8.239 0.030 1 25 9 9 THR HA H 3.953 0.030 1 26 9 9 THR HB H 3.598 0.030 1 27 9 9 THR HG2 H 0.778 0.030 1 28 9 9 THR C C 172.928 0.300 1 29 9 9 THR CA C 62.739 0.300 1 30 9 9 THR CB C 69.485 0.300 1 31 9 9 THR CG2 C 22.028 0.300 1 32 9 9 THR N N 119.230 0.300 1 33 10 10 ASP H H 8.696 0.030 1 34 10 10 ASP HA H 4.601 0.030 1 35 10 10 ASP HB2 H 2.986 0.030 2 36 10 10 ASP HB3 H 2.429 0.030 2 37 10 10 ASP C C 175.683 0.300 1 38 10 10 ASP CA C 52.509 0.300 1 39 10 10 ASP CB C 40.451 0.300 1 40 10 10 ASP N N 126.201 0.300 1 41 11 11 TYR H H 7.516 0.030 1 42 11 11 TYR HA H 4.158 0.030 1 43 11 11 TYR HB2 H 3.485 0.030 2 44 11 11 TYR HB3 H 2.809 0.030 2 45 11 11 TYR HD1 H 7.131 0.030 1 46 11 11 TYR HD2 H 7.131 0.030 1 47 11 11 TYR HE1 H 6.726 0.030 1 48 11 11 TYR HE2 H 6.726 0.030 1 49 11 11 TYR C C 177.864 0.300 1 50 11 11 TYR CA C 61.517 0.300 1 51 11 11 TYR CB C 38.000 0.300 1 52 11 11 TYR CD1 C 133.072 0.300 1 53 11 11 TYR CD2 C 133.072 0.300 1 54 11 11 TYR CE1 C 118.086 0.300 1 55 11 11 TYR CE2 C 118.086 0.300 1 56 11 11 TYR N N 123.983 0.300 1 57 12 12 GLY H H 8.538 0.030 1 58 12 12 GLY HA2 H 4.036 0.030 2 59 12 12 GLY HA3 H 3.810 0.030 2 60 12 12 GLY C C 176.414 0.300 1 61 12 12 GLY CA C 47.495 0.300 1 62 12 12 GLY N N 105.666 0.300 1 63 13 13 GLU H H 7.891 0.030 1 64 13 13 GLU HA H 4.104 0.030 1 65 13 13 GLU HB2 H 2.056 0.030 2 66 13 13 GLU HB3 H 2.000 0.030 2 67 13 13 GLU HG2 H 2.251 0.030 1 68 13 13 GLU HG3 H 2.251 0.030 1 69 13 13 GLU C C 178.498 0.300 1 70 13 13 GLU CA C 59.008 0.300 1 71 13 13 GLU CB C 29.769 0.300 1 72 13 13 GLU CG C 36.011 0.300 1 73 13 13 GLU N N 123.295 0.300 1 74 14 14 GLU H H 8.261 0.030 1 75 14 14 GLU HA H 4.117 0.030 1 76 14 14 GLU HB2 H 2.083 0.030 2 77 14 14 GLU HB3 H 2.008 0.030 2 78 14 14 GLU HG2 H 2.410 0.030 2 79 14 14 GLU HG3 H 2.170 0.030 2 80 14 14 GLU C C 180.441 0.300 1 81 14 14 GLU CA C 59.162 0.300 1 82 14 14 GLU CB C 29.032 0.300 1 83 14 14 GLU CG C 35.772 0.300 1 84 14 14 GLU N N 118.108 0.300 1 85 15 15 GLN H H 8.352 0.030 1 86 15 15 GLN HA H 3.838 0.030 1 87 15 15 GLN HB2 H 2.291 0.030 2 88 15 15 GLN HB3 H 2.222 0.030 2 89 15 15 GLN HE21 H 8.101 0.030 2 90 15 15 GLN HE22 H 6.383 0.030 2 91 15 15 GLN HG2 H 2.801 0.030 2 92 15 15 GLN HG3 H 1.670 0.030 2 93 15 15 GLN C C 177.206 0.300 1 94 15 15 GLN CA C 59.501 0.300 1 95 15 15 GLN CB C 28.275 0.300 1 96 15 15 GLN CG C 35.261 0.300 1 97 15 15 GLN N N 117.724 0.300 1 98 15 15 GLN NE2 N 110.003 0.300 1 99 16 16 ARG H H 8.395 0.030 1 100 16 16 ARG HA H 4.092 0.030 1 101 16 16 ARG HB2 H 2.059 0.030 2 102 16 16 ARG HB3 H 1.925 0.030 2 103 16 16 ARG HD2 H 3.268 0.030 1 104 16 16 ARG HD3 H 3.268 0.030 1 105 16 16 ARG HE H 7.490 0.030 1 106 16 16 ARG HG2 H 1.916 0.030 2 107 16 16 ARG HG3 H 1.652 0.030 2 108 16 16 ARG C C 179.590 0.300 1 109 16 16 ARG CA C 60.011 0.300 1 110 16 16 ARG CB C 30.024 0.300 1 111 16 16 ARG CD C 43.266 0.300 1 112 16 16 ARG CG C 27.515 0.300 1 113 16 16 ARG N N 118.850 0.300 1 114 16 16 ARG NE N 83.416 0.300 1 115 17 17 ASN H H 8.505 0.030 1 116 17 17 ASN HA H 4.481 0.030 1 117 17 17 ASN HB2 H 3.017 0.030 2 118 17 17 ASN HB3 H 2.769 0.030 2 119 17 17 ASN HD21 H 7.657 0.030 2 120 17 17 ASN HD22 H 6.951 0.030 2 121 17 17 ASN C C 178.435 0.300 1 122 17 17 ASN CA C 55.902 0.300 1 123 17 17 ASN CB C 37.771 0.300 1 124 17 17 ASN N N 116.826 0.300 1 125 17 17 ASN ND2 N 112.193 0.300 1 126 18 18 GLU H H 8.180 0.030 1 127 18 18 GLU HA H 4.178 0.030 1 128 18 18 GLU HB2 H 2.757 0.030 2 129 18 18 GLU HB3 H 2.049 0.030 2 130 18 18 GLU HG2 H 2.335 0.030 2 131 18 18 GLU HG3 H 2.208 0.030 2 132 18 18 GLU C C 177.753 0.300 1 133 18 18 GLU CA C 59.999 0.300 1 134 18 18 GLU CB C 28.912 0.300 1 135 18 18 GLU CG C 37.521 0.300 1 136 18 18 GLU N N 123.260 0.300 1 137 19 19 LEU H H 8.474 0.030 1 138 19 19 LEU HA H 3.707 0.030 1 139 19 19 LEU HB2 H 2.058 0.030 2 140 19 19 LEU HB3 H 1.508 0.030 2 141 19 19 LEU HD1 H 0.964 0.030 1 142 19 19 LEU HD2 H 0.576 0.030 1 143 19 19 LEU HG H 2.204 0.030 1 144 19 19 LEU C C 179.880 0.300 1 145 19 19 LEU CA C 58.916 0.300 1 146 19 19 LEU CB C 41.858 0.300 1 147 19 19 LEU CD1 C 25.776 0.300 2 148 19 19 LEU CD2 C 23.764 0.300 2 149 19 19 LEU CG C 26.515 0.300 1 150 19 19 LEU N N 120.246 0.300 1 151 20 20 GLU H H 7.646 0.030 1 152 20 20 GLU HA H 3.961 0.030 1 153 20 20 GLU HB2 H 2.074 0.030 1 154 20 20 GLU HB3 H 2.074 0.030 1 155 20 20 GLU HG2 H 2.447 0.030 2 156 20 20 GLU HG3 H 2.185 0.030 2 157 20 20 GLU C C 179.088 0.300 1 158 20 20 GLU CA C 59.251 0.300 1 159 20 20 GLU CB C 29.785 0.300 1 160 20 20 GLU CG C 36.522 0.300 1 161 20 20 GLU N N 117.399 0.300 1 162 21 21 ALA H H 7.708 0.030 1 163 21 21 ALA HA H 4.063 0.030 1 164 21 21 ALA HB H 1.489 0.030 1 165 21 21 ALA C C 180.914 0.300 1 166 21 21 ALA CA C 55.003 0.300 1 167 21 21 ALA CB C 18.024 0.300 1 168 21 21 ALA N N 123.147 0.300 1 169 22 22 LEU H H 8.786 0.030 1 170 22 22 LEU HA H 3.754 0.030 1 171 22 22 LEU HB2 H 1.261 0.030 2 172 22 22 LEU HB3 H 0.674 0.030 2 173 22 22 LEU HD1 H 0.535 0.030 1 174 22 22 LEU HD2 H 0.825 0.030 1 175 22 22 LEU HG H 1.903 0.030 1 176 22 22 LEU C C 177.826 0.300 1 177 22 22 LEU CA C 57.751 0.300 1 178 22 22 LEU CB C 42.008 0.300 1 179 22 22 LEU CD1 C 26.891 0.300 2 180 22 22 LEU CD2 C 21.777 0.300 2 181 22 22 LEU CG C 26.268 0.300 1 182 22 22 LEU N N 118.929 0.300 1 183 23 23 GLU H H 6.925 0.030 1 184 23 23 GLU HA H 3.381 0.030 1 185 23 23 GLU HB2 H 1.849 0.030 2 186 23 23 GLU HB3 H 1.747 0.030 2 187 23 23 GLU HG2 H 2.331 0.030 2 188 23 23 GLU HG3 H 2.256 0.030 2 189 23 23 GLU C C 177.219 0.300 1 190 23 23 GLU CA C 58.936 0.300 1 191 23 23 GLU CB C 29.264 0.300 1 192 23 23 GLU CG C 36.011 0.300 1 193 23 23 GLU N N 117.117 0.300 1 194 24 24 SER H H 7.025 0.030 1 195 24 24 SER HA H 4.292 0.030 1 196 24 24 SER HB2 H 3.907 0.030 2 197 24 24 SER HB3 H 3.880 0.030 2 198 24 24 SER C C 175.777 0.300 1 199 24 24 SER CA C 60.168 0.300 1 200 24 24 SER CB C 63.749 0.300 1 201 24 24 SER N N 110.150 0.300 1 202 25 25 ILE H H 7.677 0.030 1 203 25 25 ILE HA H 3.718 0.030 1 204 25 25 ILE HB H 1.242 0.030 1 205 25 25 ILE HD1 H 0.456 0.030 1 206 25 25 ILE HG12 H 1.412 0.030 2 207 25 25 ILE HG13 H 0.763 0.030 2 208 25 25 ILE HG2 H 0.123 0.030 1 209 25 25 ILE C C 175.849 0.300 1 210 25 25 ILE CA C 63.381 0.300 1 211 25 25 ILE CB C 39.639 0.300 1 212 25 25 ILE CD1 C 13.184 0.300 1 213 25 25 ILE CG1 C 28.370 0.300 1 214 25 25 ILE CG2 C 17.014 0.300 1 215 25 25 ILE N N 122.313 0.300 1 216 26 26 TYR H H 7.893 0.030 1 217 26 26 TYR HA H 5.282 0.030 1 218 26 26 TYR HB2 H 3.542 0.030 2 219 26 26 TYR HB3 H 2.832 0.030 2 220 26 26 TYR HD1 H 7.128 0.030 1 221 26 26 TYR HD2 H 7.128 0.030 1 222 26 26 TYR HE1 H 6.643 0.030 1 223 26 26 TYR HE2 H 6.643 0.030 1 224 26 26 TYR C C 174.294 0.300 1 225 26 26 TYR CA C 55.242 0.300 1 226 26 26 TYR CB C 38.749 0.300 1 227 26 26 TYR CD1 C 133.476 0.300 1 228 26 26 TYR CD2 C 133.476 0.300 1 229 26 26 TYR CE1 C 117.240 0.300 1 230 26 26 TYR CE2 C 117.240 0.300 1 231 26 26 TYR N N 118.098 0.300 1 232 27 27 PRO HA H 4.641 0.030 1 233 27 27 PRO HB2 H 2.422 0.030 2 234 27 27 PRO HB3 H 2.044 0.030 2 235 27 27 PRO HD2 H 3.656 0.030 2 236 27 27 PRO HD3 H 3.277 0.030 2 237 27 27 PRO HG2 H 2.054 0.030 2 238 27 27 PRO HG3 H 1.968 0.030 2 239 27 27 PRO C C 178.677 0.300 1 240 27 27 PRO CA C 65.759 0.300 1 241 27 27 PRO CB C 31.502 0.300 1 242 27 27 PRO CD C 50.505 0.300 1 243 27 27 PRO CG C 27.644 0.300 1 244 28 28 ASP H H 8.607 0.030 1 245 28 28 ASP HA H 4.777 0.030 1 246 28 28 ASP HB2 H 2.824 0.030 2 247 28 28 ASP HB3 H 2.747 0.030 2 248 28 28 ASP C C 176.584 0.300 1 249 28 28 ASP CA C 54.616 0.300 1 250 28 28 ASP CB C 41.237 0.300 1 251 28 28 ASP N N 114.771 0.300 1 252 29 29 SER H H 7.654 0.030 1 253 29 29 SER HA H 4.777 0.030 1 254 29 29 SER HB2 H 4.106 0.030 2 255 29 29 SER HB3 H 3.920 0.030 2 256 29 29 SER C C 173.783 0.300 1 257 29 29 SER CA C 58.845 0.300 1 258 29 29 SER CB C 65.248 0.300 1 259 29 29 SER N N 111.284 0.300 1 260 30 30 PHE H H 8.310 0.030 1 261 30 30 PHE HA H 5.474 0.030 1 262 30 30 PHE HB2 H 3.230 0.030 1 263 30 30 PHE HB3 H 3.230 0.030 1 264 30 30 PHE HD1 H 7.031 0.030 1 265 30 30 PHE HD2 H 7.031 0.030 1 266 30 30 PHE HE1 H 6.774 0.030 1 267 30 30 PHE HE2 H 6.774 0.030 1 268 30 30 PHE HZ H 6.711 0.030 1 269 30 30 PHE C C 175.243 0.300 1 270 30 30 PHE CA C 58.360 0.300 1 271 30 30 PHE CB C 41.020 0.300 1 272 30 30 PHE CD1 C 130.949 0.300 1 273 30 30 PHE CD2 C 130.949 0.300 1 274 30 30 PHE CE1 C 131.569 0.300 1 275 30 30 PHE CE2 C 131.569 0.300 1 276 30 30 PHE CZ C 129.596 0.300 1 277 30 30 PHE N N 127.381 0.300 1 278 31 31 THR H H 8.320 0.030 1 279 31 31 THR HA H 4.235 0.030 1 280 31 31 THR HB H 3.900 0.030 1 281 31 31 THR HG2 H 0.941 0.030 1 282 31 31 THR C C 172.154 0.300 1 283 31 31 THR CA C 61.631 0.300 1 284 31 31 THR CB C 71.756 0.300 1 285 31 31 THR CG2 C 20.270 0.300 1 286 31 31 THR N N 125.220 0.300 1 287 32 32 VAL H H 8.732 0.030 1 288 32 32 VAL HA H 3.789 0.030 1 289 32 32 VAL HB H 1.931 0.030 1 290 32 32 VAL HG1 H 0.915 0.030 1 291 32 32 VAL HG2 H 0.951 0.030 1 292 32 32 VAL C C 175.931 0.300 1 293 32 32 VAL CA C 63.902 0.300 1 294 32 32 VAL CB C 32.263 0.300 1 295 32 32 VAL CG1 C 21.371 0.300 2 296 32 32 VAL CG2 C 23.431 0.300 2 297 32 32 VAL N N 126.792 0.300 1 298 33 33 LEU H H 9.198 0.030 1 299 33 33 LEU HA H 4.373 0.030 1 300 33 33 LEU HB2 H 1.475 0.030 2 301 33 33 LEU HB3 H 1.380 0.030 2 302 33 33 LEU HD1 H 0.510 0.030 1 303 33 33 LEU HD2 H 0.598 0.030 1 304 33 33 LEU HG H 1.385 0.030 1 305 33 33 LEU C C 177.250 0.300 1 306 33 33 LEU CA C 55.514 0.300 1 307 33 33 LEU CB C 43.242 0.300 1 308 33 33 LEU CD1 C 25.516 0.300 2 309 33 33 LEU CD2 C 22.102 0.300 2 310 33 33 LEU CG C 27.265 0.300 1 311 33 33 LEU N N 128.609 0.300 1 312 34 34 SER H H 7.946 0.030 1 313 34 34 SER HA H 4.553 0.030 1 314 34 34 SER HB2 H 3.877 0.030 2 315 34 34 SER HB3 H 3.756 0.030 2 316 34 34 SER C C 172.658 0.300 1 317 34 34 SER CA C 57.508 0.300 1 318 34 34 SER CB C 64.617 0.300 1 319 34 34 SER N N 111.489 0.300 1 320 35 35 GLU H H 8.434 0.030 1 321 35 35 GLU HA H 4.405 0.030 1 322 35 35 GLU HB2 H 2.081 0.030 2 323 35 35 GLU HB3 H 1.867 0.030 2 324 35 35 GLU HG2 H 2.219 0.030 1 325 35 35 GLU HG3 H 2.219 0.030 1 326 35 35 GLU C C 175.828 0.300 1 327 35 35 GLU CA C 56.752 0.300 1 328 35 35 GLU CB C 31.763 0.300 1 329 35 35 GLU CG C 36.642 0.300 1 330 35 35 GLU N N 119.801 0.300 1 331 36 36 ASN H H 7.938 0.030 1 332 36 36 ASN HA H 4.959 0.030 1 333 36 36 ASN HB2 H 2.798 0.030 2 334 36 36 ASN HB3 H 2.664 0.030 2 335 36 36 ASN HD21 H 7.628 0.030 2 336 36 36 ASN HD22 H 6.922 0.030 2 337 36 36 ASN C C 172.279 0.300 1 338 36 36 ASN CA C 51.010 0.300 1 339 36 36 ASN CB C 40.274 0.300 1 340 36 36 ASN N N 115.930 0.300 1 341 36 36 ASN ND2 N 112.888 0.300 1 342 37 37 PRO HA H 5.153 0.030 1 343 37 37 PRO HB2 H 2.402 0.030 2 344 37 37 PRO HB3 H 2.002 0.030 2 345 37 37 PRO HD2 H 3.554 0.030 2 346 37 37 PRO HD3 H 3.440 0.030 2 347 37 37 PRO HG2 H 1.932 0.030 2 348 37 37 PRO HG3 H 1.678 0.030 2 349 37 37 PRO CA C 62.250 0.300 1 350 37 37 PRO CB C 33.018 0.300 1 351 37 37 PRO CD C 50.244 0.300 1 352 37 37 PRO CG C 24.521 0.300 1 353 38 38 PRO HA H 4.579 0.030 1 354 38 38 PRO HB2 H 2.429 0.030 2 355 38 38 PRO HB3 H 2.011 0.030 2 356 38 38 PRO HD2 H 4.138 0.030 2 357 38 38 PRO HD3 H 3.725 0.030 2 358 38 38 PRO HG2 H 2.466 0.030 2 359 38 38 PRO HG3 H 2.309 0.030 2 360 38 38 PRO C C 175.530 0.300 1 361 38 38 PRO CA C 63.269 0.300 1 362 38 38 PRO CB C 31.505 0.300 1 363 38 38 PRO CD C 50.839 0.300 1 364 38 38 PRO CG C 28.181 0.300 1 365 39 39 SER H H 8.234 0.030 1 366 39 39 SER HA H 5.430 0.030 1 367 39 39 SER HB2 H 3.542 0.030 1 368 39 39 SER HB3 H 3.542 0.030 1 369 39 39 SER C C 174.178 0.300 1 370 39 39 SER CA C 56.772 0.300 1 371 39 39 SER CB C 66.164 0.300 1 372 39 39 SER N N 117.821 0.300 1 373 40 40 PHE H H 8.572 0.030 1 374 40 40 PHE HA H 5.338 0.030 1 375 40 40 PHE HB2 H 2.847 0.030 2 376 40 40 PHE HB3 H 2.484 0.030 2 377 40 40 PHE HD1 H 6.583 0.030 1 378 40 40 PHE HD2 H 6.583 0.030 1 379 40 40 PHE HE1 H 6.629 0.030 1 380 40 40 PHE HE2 H 6.629 0.030 1 381 40 40 PHE HZ H 6.378 0.030 1 382 40 40 PHE C C 172.721 0.300 1 383 40 40 PHE CA C 55.493 0.300 1 384 40 40 PHE CB C 41.529 0.300 1 385 40 40 PHE CD1 C 132.654 0.300 1 386 40 40 PHE CD2 C 132.654 0.300 1 387 40 40 PHE CE1 C 129.559 0.300 1 388 40 40 PHE CE2 C 129.559 0.300 1 389 40 40 PHE N N 122.739 0.300 1 390 41 41 THR H H 9.124 0.030 1 391 41 41 THR HA H 5.818 0.030 1 392 41 41 THR HB H 3.760 0.030 1 393 41 41 THR HG2 H 0.337 0.030 1 394 41 41 THR C C 174.223 0.300 1 395 41 41 THR CA C 58.211 0.300 1 396 41 41 THR CB C 71.002 0.300 1 397 41 41 THR CG2 C 20.135 0.300 1 398 41 41 THR N N 108.506 0.300 1 399 42 42 ILE H H 8.427 0.030 1 400 42 42 ILE HA H 4.615 0.030 1 401 42 42 ILE HB H 1.478 0.030 1 402 42 42 ILE HD1 H 0.967 0.030 1 403 42 42 ILE HG12 H 1.966 0.030 2 404 42 42 ILE HG13 H 1.230 0.030 2 405 42 42 ILE HG2 H 0.423 0.030 1 406 42 42 ILE C C 175.284 0.300 1 407 42 42 ILE CA C 61.005 0.300 1 408 42 42 ILE CB C 44.110 0.300 1 409 42 42 ILE CD1 C 15.904 0.300 1 410 42 42 ILE CG1 C 29.917 0.300 1 411 42 42 ILE CG2 C 17.029 0.300 1 412 42 42 ILE N N 117.846 0.300 1 413 43 43 THR H H 8.435 0.030 1 414 43 43 THR HA H 4.871 0.030 1 415 43 43 THR HB H 3.845 0.030 1 416 43 43 THR HG2 H 1.026 0.030 1 417 43 43 THR C C 172.827 0.300 1 418 43 43 THR CA C 62.988 0.300 1 419 43 43 THR CB C 69.985 0.300 1 420 43 43 THR CG2 C 21.868 0.300 1 421 43 43 THR N N 124.430 0.300 1 422 44 44 VAL H H 9.176 0.030 1 423 44 44 VAL HA H 4.345 0.030 1 424 44 44 VAL HB H 1.961 0.030 1 425 44 44 VAL HG1 H 0.854 0.030 1 426 44 44 VAL HG2 H 0.857 0.030 1 427 44 44 VAL C C 173.260 0.300 1 428 44 44 VAL CA C 60.908 0.300 1 429 44 44 VAL CB C 33.510 0.300 1 430 44 44 VAL CG1 C 22.033 0.300 2 431 44 44 VAL CG2 C 21.527 0.300 2 432 44 44 VAL N N 129.164 0.300 1 433 45 45 THR H H 9.109 0.030 1 434 45 45 THR HA H 4.984 0.030 1 435 45 45 THR HB H 3.883 0.030 1 436 45 45 THR HG2 H 1.440 0.030 1 437 45 45 THR C C 175.077 0.300 1 438 45 45 THR CA C 61.248 0.300 1 439 45 45 THR CB C 70.870 0.300 1 440 45 45 THR CG2 C 21.177 0.300 1 441 45 45 THR N N 122.308 0.300 1 442 46 46 SER H H 9.074 0.030 1 443 46 46 SER HA H 4.266 0.030 1 444 46 46 SER HB2 H 4.211 0.030 2 445 46 46 SER HB3 H 3.758 0.030 2 446 46 46 SER C C 174.190 0.300 1 447 46 46 SER CA C 59.249 0.300 1 448 46 46 SER CB C 65.746 0.300 1 449 46 46 SER N N 121.804 0.300 1 450 47 47 GLU H H 8.420 0.030 1 451 47 47 GLU HA H 4.299 0.030 1 452 47 47 GLU HB2 H 2.072 0.030 2 453 47 47 GLU HB3 H 1.854 0.030 2 454 47 47 GLU HG2 H 2.365 0.030 2 455 47 47 GLU HG3 H 2.312 0.030 2 456 47 47 GLU C C 176.058 0.300 1 457 47 47 GLU CA C 56.483 0.300 1 458 47 47 GLU CB C 30.526 0.300 1 459 47 47 GLU CG C 36.118 0.300 1 460 47 47 GLU N N 119.508 0.300 1 461 48 48 ALA H H 8.441 0.030 1 462 48 48 ALA HA H 4.442 0.030 1 463 48 48 ALA HB H 1.355 0.030 1 464 48 48 ALA C C 179.003 0.300 1 465 48 48 ALA CA C 52.303 0.300 1 466 48 48 ALA CB C 19.765 0.300 1 467 48 48 ALA N N 125.180 0.300 1 468 49 49 GLY H H 8.936 0.030 1 469 49 49 GLY HA2 H 4.290 0.030 2 470 49 49 GLY HA3 H 3.804 0.030 2 471 49 49 GLY C C 174.993 0.300 1 472 49 49 GLY CA C 44.269 0.300 1 473 49 49 GLY N N 109.765 0.300 1 474 50 50 GLU H H 8.793 0.030 1 475 50 50 GLU HA H 4.131 0.030 1 476 50 50 GLU HB2 H 2.011 0.030 1 477 50 50 GLU HB3 H 2.011 0.030 1 478 50 50 GLU HG2 H 2.424 0.030 2 479 50 50 GLU HG3 H 2.297 0.030 2 480 50 50 GLU C C 177.318 0.300 1 481 50 50 GLU CA C 58.141 0.300 1 482 50 50 GLU CB C 29.939 0.300 1 483 50 50 GLU CG C 36.271 0.300 1 484 50 50 GLU N N 121.870 0.300 1 485 51 51 ASN H H 9.008 0.030 1 486 51 51 ASN HA H 4.707 0.030 1 487 51 51 ASN HB2 H 2.939 0.030 2 488 51 51 ASN HB3 H 2.796 0.030 2 489 51 51 ASN HD21 H 7.815 0.030 2 490 51 51 ASN HD22 H 6.961 0.030 2 491 51 51 ASN C C 174.543 0.300 1 492 51 51 ASN CA C 53.346 0.300 1 493 51 51 ASN CB C 38.384 0.300 1 494 51 51 ASN N N 118.278 0.300 1 495 51 51 ASN ND2 N 114.433 0.300 1 496 52 52 ASP H H 8.063 0.030 1 497 52 52 ASP HA H 4.341 0.030 1 498 52 52 ASP HB2 H 2.881 0.030 2 499 52 52 ASP HB3 H 2.777 0.030 2 500 52 52 ASP C C 175.130 0.300 1 501 52 52 ASP CA C 55.855 0.300 1 502 52 52 ASP CB C 40.031 0.300 1 503 52 52 ASP N N 114.768 0.300 1 504 53 53 GLU H H 8.579 0.030 1 505 53 53 GLU HA H 4.337 0.030 1 506 53 53 GLU HB2 H 1.962 0.030 2 507 53 53 GLU HB3 H 1.919 0.030 2 508 53 53 GLU HG2 H 2.273 0.030 1 509 53 53 GLU HG3 H 2.273 0.030 1 510 53 53 GLU C C 175.685 0.300 1 511 53 53 GLU CA C 56.763 0.300 1 512 53 53 GLU CB C 30.275 0.300 1 513 53 53 GLU CG C 36.201 0.300 1 514 53 53 GLU N N 120.856 0.300 1 515 54 54 THR H H 8.093 0.030 1 516 54 54 THR HA H 4.484 0.030 1 517 54 54 THR HB H 4.086 0.030 1 518 54 54 THR HG2 H 1.039 0.030 1 519 54 54 THR C C 174.105 0.300 1 520 54 54 THR CA C 60.555 0.300 1 521 54 54 THR CB C 72.496 0.300 1 522 54 54 THR CG2 C 21.874 0.300 1 523 54 54 THR N N 111.522 0.300 1 524 55 55 VAL H H 8.352 0.030 1 525 55 55 VAL HA H 4.758 0.030 1 526 55 55 VAL HB H 2.106 0.030 1 527 55 55 VAL HG1 H 0.944 0.030 1 528 55 55 VAL HG2 H 0.922 0.030 1 529 55 55 VAL C C 174.387 0.300 1 530 55 55 VAL CA C 59.868 0.300 1 531 55 55 VAL CB C 34.009 0.300 1 532 55 55 VAL CG1 C 22.243 0.300 2 533 55 55 VAL CG2 C 21.506 0.300 2 534 55 55 VAL N N 115.338 0.300 1 535 56 56 GLN H H 8.383 0.030 1 536 56 56 GLN HA H 5.475 0.030 1 537 56 56 GLN HB2 H 2.022 0.030 2 538 56 56 GLN HB3 H 1.904 0.030 2 539 56 56 GLN HE21 H 7.666 0.030 2 540 56 56 GLN HE22 H 6.683 0.030 2 541 56 56 GLN HG2 H 2.334 0.030 2 542 56 56 GLN HG3 H 2.012 0.030 2 543 56 56 GLN C C 174.498 0.300 1 544 56 56 GLN CA C 54.750 0.300 1 545 56 56 GLN CB C 35.344 0.300 1 546 56 56 GLN CG C 34.518 0.300 1 547 56 56 GLN N N 119.788 0.300 1 548 56 56 GLN NE2 N 112.754 0.300 1 549 57 57 THR H H 8.992 0.030 1 550 57 57 THR HA H 4.922 0.030 1 551 57 57 THR HB H 3.924 0.030 1 552 57 57 THR HG2 H 1.041 0.030 1 553 57 57 THR C C 172.942 0.300 1 554 57 57 THR CA C 60.511 0.300 1 555 57 57 THR CB C 71.479 0.300 1 556 57 57 THR CG2 C 21.006 0.300 1 557 57 57 THR N N 113.834 0.300 1 558 58 58 THR H H 8.960 0.030 1 559 58 58 THR HA H 4.970 0.030 1 560 58 58 THR HB H 4.266 0.030 1 561 58 58 THR HG2 H 1.073 0.030 1 562 58 58 THR C C 173.207 0.300 1 563 58 58 THR CA C 62.670 0.300 1 564 58 58 THR CB C 68.735 0.300 1 565 58 58 THR CG2 C 21.700 0.300 1 566 58 58 THR N N 124.985 0.300 1 567 59 59 LEU H H 8.940 0.030 1 568 59 59 LEU HA H 4.612 0.030 1 569 59 59 LEU HB2 H 1.701 0.030 2 570 59 59 LEU HB3 H 0.636 0.030 2 571 59 59 LEU HD1 H 0.911 0.030 1 572 59 59 LEU HD2 H 0.664 0.030 1 573 59 59 LEU HG H 1.677 0.030 1 574 59 59 LEU C C 174.431 0.300 1 575 59 59 LEU CA C 53.253 0.300 1 576 59 59 LEU CB C 44.192 0.300 1 577 59 59 LEU CD1 C 26.625 0.300 2 578 59 59 LEU CD2 C 23.760 0.300 2 579 59 59 LEU CG C 27.253 0.300 1 580 59 59 LEU N N 129.021 0.300 1 581 60 60 LYS H H 8.490 0.030 1 582 60 60 LYS HA H 4.777 0.030 1 583 60 60 LYS HB2 H 1.467 0.030 2 584 60 60 LYS HB3 H 1.044 0.030 2 585 60 60 LYS HD2 H 1.193 0.030 1 586 60 60 LYS HD3 H 1.193 0.030 1 587 60 60 LYS HE2 H 2.481 0.030 2 588 60 60 LYS HE3 H 2.434 0.030 2 589 60 60 LYS HG2 H 0.803 0.030 2 590 60 60 LYS HG3 H 0.746 0.030 2 591 60 60 LYS C C 174.592 0.300 1 592 60 60 LYS CA C 53.981 0.300 1 593 60 60 LYS CB C 35.816 0.300 1 594 60 60 LYS CD C 29.768 0.300 1 595 60 60 LYS CE C 41.770 0.300 1 596 60 60 LYS CG C 24.502 0.300 1 597 60 60 LYS N N 121.729 0.300 1 598 61 61 PHE H H 8.719 0.030 1 599 61 61 PHE HA H 5.331 0.030 1 600 61 61 PHE HB2 H 2.084 0.030 2 601 61 61 PHE HB3 H 1.330 0.030 2 602 61 61 PHE HD1 H 6.944 0.030 1 603 61 61 PHE HD2 H 6.944 0.030 1 604 61 61 PHE HE1 H 6.954 0.030 1 605 61 61 PHE HE2 H 6.954 0.030 1 606 61 61 PHE HZ H 6.817 0.030 1 607 61 61 PHE C C 174.592 0.300 1 608 61 61 PHE CA C 55.876 0.300 1 609 61 61 PHE CB C 43.204 0.300 1 610 61 61 PHE CD1 C 132.475 0.300 1 611 61 61 PHE CD2 C 132.475 0.300 1 612 61 61 PHE CE1 C 130.476 0.300 1 613 61 61 PHE CE2 C 130.476 0.300 1 614 61 61 PHE CZ C 127.987 0.300 1 615 61 61 PHE N N 125.636 0.300 1 616 62 62 THR H H 8.393 0.030 1 617 62 62 THR HA H 4.906 0.030 1 618 62 62 THR HB H 3.767 0.030 1 619 62 62 THR HG2 H 1.050 0.030 1 620 62 62 THR C C 174.666 0.300 1 621 62 62 THR CA C 60.961 0.300 1 622 62 62 THR CB C 71.746 0.300 1 623 62 62 THR CG2 C 20.273 0.300 1 624 62 62 THR N N 115.186 0.300 1 625 63 63 TYR H H 8.258 0.030 1 626 63 63 TYR HA H 4.582 0.030 1 627 63 63 TYR HB2 H 3.151 0.030 2 628 63 63 TYR HB3 H 2.825 0.030 2 629 63 63 TYR HD1 H 6.481 0.030 1 630 63 63 TYR HD2 H 6.481 0.030 1 631 63 63 TYR HE1 H 6.571 0.030 1 632 63 63 TYR HE2 H 6.571 0.030 1 633 63 63 TYR C C 176.043 0.300 1 634 63 63 TYR CA C 55.409 0.300 1 635 63 63 TYR CB C 37.230 0.300 1 636 63 63 TYR CD1 C 129.305 0.300 1 637 63 63 TYR CD2 C 129.305 0.300 1 638 63 63 TYR CE1 C 120.988 0.300 1 639 63 63 TYR CE2 C 120.988 0.300 1 640 63 63 TYR N N 124.311 0.300 1 641 64 64 SER H H 7.078 0.030 1 642 64 64 SER HA H 4.600 0.030 1 643 64 64 SER HB2 H 4.218 0.030 2 644 64 64 SER HB3 H 3.913 0.030 2 645 64 64 SER C C 175.444 0.300 1 646 64 64 SER CA C 55.885 0.300 1 647 64 64 SER CB C 64.487 0.300 1 648 64 64 SER N N 116.130 0.300 1 649 65 65 GLU H H 8.894 0.030 1 650 65 65 GLU HA H 4.083 0.030 1 651 65 65 GLU HB2 H 2.087 0.030 2 652 65 65 GLU HB3 H 2.007 0.030 2 653 65 65 GLU HG2 H 2.411 0.030 2 654 65 65 GLU HG3 H 2.260 0.030 2 655 65 65 GLU C C 177.638 0.300 1 656 65 65 GLU CA C 60.023 0.300 1 657 65 65 GLU CB C 29.865 0.300 1 658 65 65 GLU CG C 36.522 0.300 1 659 65 65 GLU N N 121.468 0.300 1 660 66 66 LYS H H 7.930 0.030 1 661 66 66 LYS HA H 3.497 0.030 1 662 66 66 LYS HB2 H 1.586 0.030 2 663 66 66 LYS HB3 H 1.136 0.030 2 664 66 66 LYS HD2 H 1.550 0.030 2 665 66 66 LYS HD3 H 1.505 0.030 2 666 66 66 LYS HE2 H 2.936 0.030 1 667 66 66 LYS HE3 H 2.936 0.030 1 668 66 66 LYS HG2 H 1.129 0.030 2 669 66 66 LYS HG3 H 0.920 0.030 2 670 66 66 LYS C C 175.358 0.300 1 671 66 66 LYS CA C 53.804 0.300 1 672 66 66 LYS CB C 31.257 0.300 1 673 66 66 LYS CD C 29.261 0.300 1 674 66 66 LYS CE C 42.263 0.300 1 675 66 66 LYS CG C 25.325 0.300 1 676 66 66 LYS N N 112.483 0.300 1 677 67 67 TYR H H 7.023 0.030 1 678 67 67 TYR HA H 4.860 0.030 1 679 67 67 TYR HB2 H 3.354 0.030 2 680 67 67 TYR HB3 H 2.810 0.030 2 681 67 67 TYR HD1 H 6.311 0.030 3 682 67 67 TYR HD2 H 7.529 0.030 3 683 67 67 TYR HE1 H 6.639 0.030 3 684 67 67 TYR HE2 H 6.891 0.030 3 685 67 67 TYR C C 175.993 0.300 1 686 67 67 TYR CA C 56.995 0.300 1 687 67 67 TYR CB C 37.436 0.300 1 688 67 67 TYR CD1 C 133.716 0.300 3 689 67 67 TYR CD2 C 133.345 0.300 3 690 67 67 TYR CE1 C 120.600 0.300 3 691 67 67 TYR CE2 C 118.344 0.300 3 692 67 67 TYR N N 123.584 0.300 1 693 68 68 PRO HA H 3.826 0.030 1 694 68 68 PRO HB2 H 1.793 0.030 2 695 68 68 PRO HB3 H 0.279 0.030 2 696 68 68 PRO HD2 H 3.233 0.030 2 697 68 68 PRO HD3 H 3.100 0.030 2 698 68 68 PRO HG2 H 1.454 0.030 2 699 68 68 PRO HG3 H 1.098 0.030 2 700 68 68 PRO C C 175.348 0.300 1 701 68 68 PRO CA C 64.327 0.300 1 702 68 68 PRO CB C 32.823 0.300 1 703 68 68 PRO CD C 48.641 0.300 1 704 68 68 PRO CG C 24.419 0.300 1 705 69 69 ASP H H 9.049 0.030 1 706 69 69 ASP HA H 4.558 0.030 1 707 69 69 ASP HB2 H 2.901 0.030 2 708 69 69 ASP HB3 H 2.806 0.030 2 709 69 69 ASP C C 175.575 0.300 1 710 69 69 ASP CA C 57.136 0.300 1 711 69 69 ASP CB C 40.320 0.300 1 712 69 69 ASP N N 126.597 0.300 1 713 70 70 GLU H H 6.963 0.030 1 714 70 70 GLU HA H 4.405 0.030 1 715 70 70 GLU HB2 H 1.851 0.030 2 716 70 70 GLU HB3 H 1.606 0.030 2 717 70 70 GLU HG2 H 2.088 0.030 1 718 70 70 GLU HG3 H 2.088 0.030 1 719 70 70 GLU C C 174.015 0.300 1 720 70 70 GLU CA C 53.822 0.300 1 721 70 70 GLU CB C 32.697 0.300 1 722 70 70 GLU CG C 35.871 0.300 1 723 70 70 GLU N N 116.890 0.300 1 724 71 71 ALA H H 8.602 0.030 1 725 71 71 ALA HA H 4.254 0.030 1 726 71 71 ALA HB H 1.535 0.030 1 727 71 71 ALA C C 176.916 0.300 1 728 71 71 ALA CA C 51.011 0.300 1 729 71 71 ALA CB C 17.165 0.300 1 730 71 71 ALA N N 121.905 0.300 1 731 72 72 PRO HA H 4.933 0.030 1 732 72 72 PRO HB2 H 2.210 0.030 2 733 72 72 PRO HB3 H 2.152 0.030 2 734 72 72 PRO HD2 H 4.349 0.030 2 735 72 72 PRO HD3 H 3.951 0.030 2 736 72 72 PRO HG2 H 2.219 0.030 1 737 72 72 PRO HG3 H 2.219 0.030 1 738 72 72 PRO C C 174.790 0.300 1 739 72 72 PRO CA C 62.976 0.300 1 740 72 72 PRO CB C 31.165 0.300 1 741 72 72 PRO CD C 50.396 0.300 1 742 72 72 PRO CG C 26.104 0.300 1 743 73 73 LEU H H 8.675 0.030 1 744 73 73 LEU HA H 4.343 0.030 1 745 73 73 LEU HB2 H 1.666 0.030 2 746 73 73 LEU HB3 H 1.453 0.030 2 747 73 73 LEU HD1 H 0.792 0.030 1 748 73 73 LEU HD2 H 0.775 0.030 1 749 73 73 LEU HG H 1.599 0.030 1 750 73 73 LEU C C 176.784 0.300 1 751 73 73 LEU CA C 54.741 0.300 1 752 73 73 LEU CB C 41.646 0.300 1 753 73 73 LEU CD1 C 24.527 0.300 2 754 73 73 LEU CD2 C 23.369 0.300 2 755 73 73 LEU CG C 27.656 0.300 1 756 73 73 LEU N N 119.590 0.300 1 757 74 74 TYR H H 7.368 0.030 1 758 74 74 TYR HA H 5.570 0.030 1 759 74 74 TYR HB2 H 2.843 0.030 2 760 74 74 TYR HB3 H 2.220 0.030 2 761 74 74 TYR HD1 H 6.632 0.030 1 762 74 74 TYR HD2 H 6.632 0.030 1 763 74 74 TYR HE1 H 6.759 0.030 1 764 74 74 TYR HE2 H 6.759 0.030 1 765 74 74 TYR C C 174.056 0.300 1 766 74 74 TYR CA C 54.298 0.300 1 767 74 74 TYR CB C 41.272 0.300 1 768 74 74 TYR CD1 C 133.975 0.300 1 769 74 74 TYR CD2 C 133.975 0.300 1 770 74 74 TYR CE1 C 117.390 0.300 1 771 74 74 TYR CE2 C 117.390 0.300 1 772 74 74 TYR N N 116.411 0.300 1 773 75 75 GLU H H 8.210 0.030 1 774 75 75 GLU HA H 4.408 0.030 1 775 75 75 GLU HB2 H 2.007 0.030 2 776 75 75 GLU HB3 H 1.795 0.030 2 777 75 75 GLU HG2 H 2.014 0.030 2 778 75 75 GLU HG3 H 1.806 0.030 2 779 75 75 GLU C C 174.447 0.300 1 780 75 75 GLU CA C 54.316 0.300 1 781 75 75 GLU CB C 34.075 0.300 1 782 75 75 GLU CG C 36.283 0.300 1 783 75 75 GLU N N 115.562 0.300 1 784 76 76 ILE H H 9.117 0.030 1 785 76 76 ILE HA H 4.081 0.030 1 786 76 76 ILE HB H 1.997 0.030 1 787 76 76 ILE HD1 H 0.718 0.030 1 788 76 76 ILE HG12 H 1.448 0.030 2 789 76 76 ILE HG13 H 1.244 0.030 2 790 76 76 ILE HG2 H 0.726 0.030 1 791 76 76 ILE C C 174.677 0.300 1 792 76 76 ILE CA C 60.762 0.300 1 793 76 76 ILE CB C 35.357 0.300 1 794 76 76 ILE CD1 C 11.522 0.300 1 795 76 76 ILE CG1 C 27.303 0.300 1 796 76 76 ILE CG2 C 17.379 0.300 1 797 76 76 ILE N N 122.517 0.300 1 798 77 77 PHE H H 8.921 0.030 1 799 77 77 PHE HA H 4.331 0.030 1 800 77 77 PHE HB2 H 2.753 0.030 2 801 77 77 PHE HB3 H 2.691 0.030 2 802 77 77 PHE HD1 H 7.056 0.030 1 803 77 77 PHE HD2 H 7.056 0.030 1 804 77 77 PHE HE1 H 7.296 0.030 1 805 77 77 PHE HE2 H 7.296 0.030 1 806 77 77 PHE C C 175.612 0.300 1 807 77 77 PHE CA C 59.833 0.300 1 808 77 77 PHE CB C 41.520 0.300 1 809 77 77 PHE CD1 C 131.323 0.300 1 810 77 77 PHE CD2 C 131.323 0.300 1 811 77 77 PHE CE1 C 131.563 0.300 1 812 77 77 PHE CE2 C 131.563 0.300 1 813 77 77 PHE N N 132.967 0.300 1 814 78 78 SER H H 8.035 0.030 1 815 78 78 SER HA H 4.482 0.030 1 816 78 78 SER HB2 H 3.871 0.030 2 817 78 78 SER HB3 H 3.697 0.030 2 818 78 78 SER C C 172.070 0.300 1 819 78 78 SER CA C 57.263 0.300 1 820 78 78 SER CB C 64.498 0.300 1 821 78 78 SER N N 109.477 0.300 1 822 79 79 GLN H H 8.529 0.030 1 823 79 79 GLN HA H 5.086 0.030 1 824 79 79 GLN HB2 H 2.394 0.030 2 825 79 79 GLN HB3 H 1.943 0.030 2 826 79 79 GLN HE21 H 7.046 0.030 2 827 79 79 GLN HE22 H 6.210 0.030 2 828 79 79 GLN HG2 H 2.355 0.030 2 829 79 79 GLN HG3 H 2.074 0.030 2 830 79 79 GLN C C 174.084 0.300 1 831 79 79 GLN CA C 55.014 0.300 1 832 79 79 GLN CB C 29.502 0.300 1 833 79 79 GLN CG C 30.263 0.300 1 834 79 79 GLN N N 118.058 0.300 1 835 79 79 GLN NE2 N 107.366 0.300 1 836 80 80 GLU H H 8.672 0.030 1 837 80 80 GLU HA H 4.424 0.030 1 838 80 80 GLU HB2 H 1.935 0.030 2 839 80 80 GLU HB3 H 1.729 0.030 2 840 80 80 GLU HG2 H 2.139 0.030 1 841 80 80 GLU HG3 H 2.139 0.030 1 842 80 80 GLU C C 175.830 0.300 1 843 80 80 GLU CA C 56.252 0.300 1 844 80 80 GLU CB C 33.023 0.300 1 845 80 80 GLU CG C 35.511 0.300 1 846 80 80 GLU N N 118.952 0.300 1 847 81 81 ASN H H 8.719 0.030 1 848 81 81 ASN HA H 4.349 0.030 1 849 81 81 ASN HB2 H 3.291 0.030 2 850 81 81 ASN HB3 H 3.217 0.030 2 851 81 81 ASN HD21 H 7.671 0.030 2 852 81 81 ASN HD22 H 7.080 0.030 2 853 81 81 ASN C C 173.387 0.300 1 854 81 81 ASN CA C 54.491 0.300 1 855 81 81 ASN CB C 37.601 0.300 1 856 81 81 ASN N N 115.425 0.300 1 857 81 81 ASN ND2 N 113.600 0.300 1 858 82 82 LEU H H 8.396 0.030 1 859 82 82 LEU HA H 4.765 0.030 1 860 82 82 LEU HB2 H 1.550 0.030 2 861 82 82 LEU HB3 H 1.371 0.030 2 862 82 82 LEU HD1 H 0.675 0.030 1 863 82 82 LEU HD2 H 0.821 0.030 1 864 82 82 LEU HG H 1.757 0.030 1 865 82 82 LEU C C 177.843 0.300 1 866 82 82 LEU CA C 53.876 0.300 1 867 82 82 LEU CB C 43.757 0.300 1 868 82 82 LEU CD1 C 26.784 0.300 2 869 82 82 LEU CD2 C 24.516 0.300 2 870 82 82 LEU CG C 26.515 0.300 1 871 82 82 LEU N N 116.630 0.300 1 872 83 83 GLU H H 9.356 0.030 1 873 83 83 GLU HA H 4.547 0.030 1 874 83 83 GLU HB2 H 2.315 0.030 2 875 83 83 GLU HB3 H 1.943 0.030 2 876 83 83 GLU HG2 H 2.419 0.030 2 877 83 83 GLU HG3 H 2.293 0.030 2 878 83 83 GLU C C 178.202 0.300 1 879 83 83 GLU CA C 54.845 0.300 1 880 83 83 GLU CB C 31.013 0.300 1 881 83 83 GLU CG C 36.511 0.300 1 882 83 83 GLU N N 122.125 0.300 1 883 84 84 ASP H H 9.071 0.030 1 884 84 84 ASP HA H 4.251 0.030 1 885 84 84 ASP HB2 H 2.663 0.030 1 886 84 84 ASP HB3 H 2.663 0.030 1 887 84 84 ASP C C 179.238 0.300 1 888 84 84 ASP CA C 58.373 0.300 1 889 84 84 ASP CB C 39.908 0.300 1 890 84 84 ASP N N 123.000 0.300 1 891 85 85 ASN H H 8.975 0.030 1 892 85 85 ASN HA H 4.440 0.030 1 893 85 85 ASN HB2 H 2.811 0.030 2 894 85 85 ASN HB3 H 2.770 0.030 2 895 85 85 ASN C C 176.912 0.300 1 896 85 85 ASN CA C 56.002 0.300 1 897 85 85 ASN CB C 37.601 0.300 1 898 85 85 ASN N N 116.181 0.300 1 899 86 86 ASP H H 7.077 0.030 1 900 86 86 ASP HA H 4.409 0.030 1 901 86 86 ASP HB2 H 3.058 0.030 2 902 86 86 ASP HB3 H 2.615 0.030 2 903 86 86 ASP C C 178.038 0.300 1 904 86 86 ASP CA C 57.648 0.300 1 905 86 86 ASP CB C 42.269 0.300 1 906 86 86 ASP N N 118.952 0.300 1 907 87 87 VAL H H 7.634 0.030 1 908 87 87 VAL HA H 3.339 0.030 1 909 87 87 VAL HB H 2.258 0.030 1 910 87 87 VAL HG1 H 0.939 0.030 1 911 87 87 VAL HG2 H 0.927 0.030 1 912 87 87 VAL C C 177.737 0.300 1 913 87 87 VAL CA C 67.508 0.300 1 914 87 87 VAL CB C 31.524 0.300 1 915 87 87 VAL CG1 C 21.370 0.300 2 916 87 87 VAL CG2 C 23.266 0.300 2 917 87 87 VAL N N 119.361 0.300 1 918 88 88 SER H H 7.959 0.030 1 919 88 88 SER HA H 4.168 0.030 1 920 88 88 SER HB2 H 3.995 0.030 1 921 88 88 SER HB3 H 3.995 0.030 1 922 88 88 SER C C 177.587 0.300 1 923 88 88 SER CA C 61.761 0.300 1 924 88 88 SER CB C 62.470 0.300 1 925 88 88 SER N N 113.039 0.300 1 926 89 89 ASP H H 8.135 0.030 1 927 89 89 ASP HA H 4.479 0.030 1 928 89 89 ASP HB2 H 3.082 0.030 2 929 89 89 ASP HB3 H 2.532 0.030 2 930 89 89 ASP C C 179.762 0.300 1 931 89 89 ASP CA C 57.629 0.300 1 932 89 89 ASP CB C 40.259 0.300 1 933 89 89 ASP N N 121.748 0.300 1 934 90 90 ILE H H 8.412 0.030 1 935 90 90 ILE HA H 3.618 0.030 1 936 90 90 ILE HB H 2.047 0.030 1 937 90 90 ILE HD1 H 0.718 0.030 1 938 90 90 ILE HG12 H 1.881 0.030 2 939 90 90 ILE HG13 H 0.844 0.030 2 940 90 90 ILE HG2 H 0.824 0.030 1 941 90 90 ILE C C 176.993 0.300 1 942 90 90 ILE CA C 65.759 0.300 1 943 90 90 ILE CB C 37.657 0.300 1 944 90 90 ILE CD1 C 14.532 0.300 1 945 90 90 ILE CG1 C 30.763 0.300 1 946 90 90 ILE CG2 C 18.010 0.300 1 947 90 90 ILE N N 123.294 0.300 1 948 91 91 LEU H H 8.284 0.030 1 949 91 91 LEU HA H 4.110 0.030 1 950 91 91 LEU HB2 H 2.073 0.030 2 951 91 91 LEU HB3 H 1.669 0.030 2 952 91 91 LEU HD1 H 0.987 0.030 1 953 91 91 LEU HD2 H 0.995 0.030 1 954 91 91 LEU HG H 1.886 0.030 1 955 91 91 LEU C C 180.041 0.300 1 956 91 91 LEU CA C 58.739 0.300 1 957 91 91 LEU CB C 41.350 0.300 1 958 91 91 LEU CD1 C 25.617 0.300 2 959 91 91 LEU CD2 C 22.267 0.300 2 960 91 91 LEU CG C 27.140 0.300 1 961 91 91 LEU N N 120.350 0.300 1 962 92 92 LYS H H 8.092 0.030 1 963 92 92 LYS HA H 4.117 0.030 1 964 92 92 LYS HB2 H 1.950 0.030 1 965 92 92 LYS HB3 H 1.950 0.030 1 966 92 92 LYS HD2 H 1.739 0.030 1 967 92 92 LYS HD3 H 1.739 0.030 1 968 92 92 LYS HE2 H 2.982 0.030 1 969 92 92 LYS HE3 H 2.982 0.030 1 970 92 92 LYS HG2 H 1.668 0.030 2 971 92 92 LYS HG3 H 1.479 0.030 2 972 92 92 LYS C C 178.576 0.300 1 973 92 92 LYS CA C 59.656 0.300 1 974 92 92 LYS CB C 32.648 0.300 1 975 92 92 LYS CD C 29.514 0.300 1 976 92 92 LYS CE C 42.246 0.300 1 977 92 92 LYS CG C 25.401 0.300 1 978 92 92 LYS N N 120.206 0.300 1 979 93 93 LEU H H 7.886 0.030 1 980 93 93 LEU HA H 4.192 0.030 1 981 93 93 LEU HB2 H 2.080 0.030 2 982 93 93 LEU HB3 H 1.705 0.030 2 983 93 93 LEU HD1 H 0.933 0.030 1 984 93 93 LEU HD2 H 0.796 0.030 1 985 93 93 LEU HG H 1.630 0.030 1 986 93 93 LEU C C 178.643 0.300 1 987 93 93 LEU CA C 58.017 0.300 1 988 93 93 LEU CB C 42.019 0.300 1 989 93 93 LEU CD1 C 24.640 0.300 2 990 93 93 LEU CD2 C 26.526 0.300 2 991 93 93 LEU CG C 26.764 0.300 1 992 93 93 LEU N N 122.089 0.300 1 993 94 94 LEU H H 8.257 0.030 1 994 94 94 LEU HA H 3.601 0.030 1 995 94 94 LEU HB2 H 1.607 0.030 2 996 94 94 LEU HB3 H 0.168 0.030 2 997 94 94 LEU HD1 H 0.480 0.030 1 998 94 94 LEU HD2 H 0.616 0.030 1 999 94 94 LEU HG H 1.521 0.030 1 1000 94 94 LEU C C 177.641 0.300 1 1001 94 94 LEU CA C 58.501 0.300 1 1002 94 94 LEU CB C 41.508 0.300 1 1003 94 94 LEU CD1 C 26.152 0.300 2 1004 94 94 LEU CD2 C 24.516 0.300 2 1005 94 94 LEU CG C 27.026 0.300 1 1006 94 94 LEU N N 120.342 0.300 1 1007 95 95 ALA H H 7.604 0.030 1 1008 95 95 ALA HA H 4.145 0.030 1 1009 95 95 ALA HB H 1.635 0.030 1 1010 95 95 ALA C C 181.569 0.300 1 1011 95 95 ALA CA C 55.513 0.300 1 1012 95 95 ALA CB C 18.280 0.300 1 1013 95 95 ALA N N 120.113 0.300 1 1014 96 96 LEU H H 7.950 0.030 1 1015 96 96 LEU HA H 4.182 0.030 1 1016 96 96 LEU HB2 H 1.891 0.030 2 1017 96 96 LEU HB3 H 1.727 0.030 2 1018 96 96 LEU HD1 H 0.915 0.030 1 1019 96 96 LEU HD2 H 0.935 0.030 1 1020 96 96 LEU HG H 1.771 0.030 1 1021 96 96 LEU C C 180.138 0.300 1 1022 96 96 LEU CA C 57.990 0.300 1 1023 96 96 LEU CB C 42.269 0.300 1 1024 96 96 LEU CD1 C 24.022 0.300 2 1025 96 96 LEU CD2 C 25.006 0.300 2 1026 96 96 LEU CG C 27.003 0.300 1 1027 96 96 LEU N N 119.624 0.300 1 1028 97 97 GLN H H 8.722 0.030 1 1029 97 97 GLN HA H 3.916 0.030 1 1030 97 97 GLN HB2 H 2.049 0.030 2 1031 97 97 GLN HB3 H 1.915 0.030 2 1032 97 97 GLN HE21 H 6.943 0.030 2 1033 97 97 GLN HE22 H 6.806 0.030 2 1034 97 97 GLN HG2 H 2.465 0.030 2 1035 97 97 GLN HG3 H 1.996 0.030 2 1036 97 97 GLN C C 179.238 0.300 1 1037 97 97 GLN CA C 58.264 0.300 1 1038 97 97 GLN CB C 28.291 0.300 1 1039 97 97 GLN CG C 34.125 0.300 1 1040 97 97 GLN N N 117.515 0.300 1 1041 97 97 GLN NE2 N 111.839 0.300 1 1042 98 98 ALA H H 8.958 0.030 1 1043 98 98 ALA HA H 4.588 0.030 1 1044 98 98 ALA HB H 1.604 0.030 1 1045 98 98 ALA C C 178.683 0.300 1 1046 98 98 ALA CA C 55.502 0.300 1 1047 98 98 ALA CB C 17.536 0.300 1 1048 98 98 ALA N N 123.864 0.300 1 1049 99 99 GLU H H 7.366 0.030 1 1050 99 99 GLU HA H 4.042 0.030 1 1051 99 99 GLU HB2 H 2.204 0.030 1 1052 99 99 GLU HB3 H 2.204 0.030 1 1053 99 99 GLU HG2 H 2.378 0.030 1 1054 99 99 GLU HG3 H 2.378 0.030 1 1055 99 99 GLU C C 179.358 0.300 1 1056 99 99 GLU CA C 59.001 0.300 1 1057 99 99 GLU CB C 29.514 0.300 1 1058 99 99 GLU CG C 36.011 0.300 1 1059 99 99 GLU N N 114.959 0.300 1 1060 100 100 GLU H H 7.801 0.030 1 1061 100 100 GLU HA H 4.135 0.030 1 1062 100 100 GLU HB2 H 2.067 0.030 1 1063 100 100 GLU HB3 H 2.067 0.030 1 1064 100 100 GLU HG2 H 2.404 0.030 1 1065 100 100 GLU HG3 H 2.404 0.030 1 1066 100 100 GLU C C 177.560 0.300 1 1067 100 100 GLU CA C 58.388 0.300 1 1068 100 100 GLU CB C 30.252 0.300 1 1069 100 100 GLU CG C 36.272 0.300 1 1070 100 100 GLU N N 116.353 0.300 1 1071 101 101 ASN H H 7.530 0.030 1 1072 101 101 ASN HA H 4.765 0.030 1 1073 101 101 ASN HB2 H 3.083 0.030 2 1074 101 101 ASN HB3 H 2.755 0.030 2 1075 101 101 ASN HD21 H 8.320 0.030 2 1076 101 101 ASN HD22 H 7.258 0.030 2 1077 101 101 ASN C C 172.525 0.300 1 1078 101 101 ASN CA C 54.122 0.300 1 1079 101 101 ASN CB C 41.762 0.300 1 1080 101 101 ASN N N 115.282 0.300 1 1081 101 101 ASN ND2 N 117.256 0.300 1 1082 102 102 LEU H H 6.944 0.030 1 1083 102 102 LEU HA H 3.922 0.030 1 1084 102 102 LEU HB2 H 1.783 0.030 2 1085 102 102 LEU HB3 H 1.449 0.030 2 1086 102 102 LEU HD1 H 0.993 0.030 1 1087 102 102 LEU HD2 H 0.766 0.030 1 1088 102 102 LEU HG H 2.191 0.030 1 1089 102 102 LEU C C 178.128 0.300 1 1090 102 102 LEU CA C 57.504 0.300 1 1091 102 102 LEU CB C 42.144 0.300 1 1092 102 102 LEU CD1 C 25.413 0.300 2 1093 102 102 LEU CD2 C 23.019 0.300 2 1094 102 102 LEU CG C 26.021 0.300 1 1095 102 102 LEU N N 117.813 0.300 1 1096 103 103 GLY H H 8.659 0.030 1 1097 103 103 GLY HA2 H 4.397 0.030 2 1098 103 103 GLY HA3 H 3.754 0.030 2 1099 103 103 GLY C C 173.640 0.300 1 1100 103 103 GLY CA C 44.269 0.300 1 1101 103 103 GLY N N 110.784 0.300 1 1102 104 104 MET H H 8.161 0.030 1 1103 104 104 MET HA H 4.657 0.030 1 1104 104 104 MET HB2 H 2.075 0.030 2 1105 104 104 MET HB3 H 2.022 0.030 2 1106 104 104 MET HE H 2.121 0.030 1 1107 104 104 MET HG2 H 2.631 0.030 2 1108 104 104 MET HG3 H 2.486 0.030 2 1109 104 104 MET C C 173.774 0.300 1 1110 104 104 MET CA C 53.538 0.300 1 1111 104 104 MET CB C 36.022 0.300 1 1112 104 104 MET CE C 17.024 0.300 1 1113 104 104 MET CG C 31.513 0.300 1 1114 104 104 MET N N 120.258 0.300 1 1115 105 105 VAL H H 8.242 0.030 1 1116 105 105 VAL HA H 3.872 0.030 1 1117 105 105 VAL HB H 2.637 0.030 1 1118 105 105 VAL HG1 H 1.060 0.030 1 1119 105 105 VAL HG2 H 1.001 0.030 1 1120 105 105 VAL C C 178.745 0.300 1 1121 105 105 VAL CA C 64.498 0.300 1 1122 105 105 VAL CB C 29.346 0.300 1 1123 105 105 VAL CG1 C 22.755 0.300 2 1124 105 105 VAL CG2 C 17.515 0.300 2 1125 105 105 VAL N N 113.875 0.300 1 1126 106 106 MET H H 8.318 0.030 1 1127 106 106 MET HA H 5.270 0.030 1 1128 106 106 MET HB2 H 2.357 0.030 2 1129 106 106 MET HB3 H 2.078 0.030 2 1130 106 106 MET HE H 2.277 0.030 1 1131 106 106 MET HG2 H 2.960 0.030 2 1132 106 106 MET HG3 H 2.257 0.030 2 1133 106 106 MET C C 176.354 0.300 1 1134 106 106 MET CA C 56.490 0.300 1 1135 106 106 MET CB C 37.386 0.300 1 1136 106 106 MET CE C 16.775 0.300 1 1137 106 106 MET CG C 30.263 0.300 1 1138 106 106 MET N N 117.250 0.300 1 1139 107 107 ILE H H 9.811 0.030 1 1140 107 107 ILE HA H 3.499 0.030 1 1141 107 107 ILE HB H 2.181 0.030 1 1142 107 107 ILE HD1 H 0.083 0.030 1 1143 107 107 ILE HG12 H 2.499 0.030 2 1144 107 107 ILE HG13 H 1.368 0.030 2 1145 107 107 ILE HG2 H 0.514 0.030 1 1146 107 107 ILE C C 177.636 0.300 1 1147 107 107 ILE CA C 63.874 0.300 1 1148 107 107 ILE CB C 33.762 0.300 1 1149 107 107 ILE CD1 C 7.169 0.300 1 1150 107 107 ILE CG1 C 26.682 0.300 1 1151 107 107 ILE CG2 C 19.032 0.300 1 1152 107 107 ILE N N 126.112 0.300 1 1153 108 108 PHE H H 9.191 0.030 1 1154 108 108 PHE HA H 4.534 0.030 1 1155 108 108 PHE HB2 H 3.095 0.030 1 1156 108 108 PHE HB3 H 3.095 0.030 1 1157 108 108 PHE HD1 H 7.364 0.030 1 1158 108 108 PHE HD2 H 7.364 0.030 1 1159 108 108 PHE HE1 H 7.247 0.030 1 1160 108 108 PHE HE2 H 7.247 0.030 1 1161 108 108 PHE C C 178.636 0.300 1 1162 108 108 PHE CA C 61.473 0.300 1 1163 108 108 PHE CB C 38.779 0.300 1 1164 108 108 PHE CD1 C 132.091 0.300 1 1165 108 108 PHE CD2 C 132.091 0.300 1 1166 108 108 PHE CE1 C 131.226 0.300 1 1167 108 108 PHE CE2 C 131.226 0.300 1 1168 108 108 PHE N N 118.912 0.300 1 1169 109 109 THR H H 7.832 0.030 1 1170 109 109 THR HA H 3.673 0.030 1 1171 109 109 THR HB H 4.267 0.030 1 1172 109 109 THR HG2 H 1.262 0.030 1 1173 109 109 THR C C 176.429 0.300 1 1174 109 109 THR CA C 66.565 0.300 1 1175 109 109 THR CB C 68.480 0.300 1 1176 109 109 THR CG2 C 22.278 0.300 1 1177 109 109 THR N N 119.391 0.300 1 1178 110 110 LEU H H 8.473 0.030 1 1179 110 110 LEU HA H 3.822 0.030 1 1180 110 110 LEU HB2 H 1.976 0.030 2 1181 110 110 LEU HB3 H 1.393 0.030 2 1182 110 110 LEU HD1 H 0.867 0.030 1 1183 110 110 LEU HD2 H 0.778 0.030 1 1184 110 110 LEU HG H 1.985 0.030 1 1185 110 110 LEU C C 178.348 0.300 1 1186 110 110 LEU CA C 58.986 0.300 1 1187 110 110 LEU CB C 40.701 0.300 1 1188 110 110 LEU CD1 C 25.015 0.300 2 1189 110 110 LEU CD2 C 23.028 0.300 2 1190 110 110 LEU CG C 27.572 0.300 1 1191 110 110 LEU N N 122.476 0.300 1 1192 111 111 VAL H H 9.027 0.030 1 1193 111 111 VAL HA H 3.256 0.030 1 1194 111 111 VAL HB H 2.274 0.030 1 1195 111 111 VAL HG1 H 0.953 0.030 1 1196 111 111 VAL HG2 H 0.819 0.030 1 1197 111 111 VAL C C 178.185 0.300 1 1198 111 111 VAL CA C 67.747 0.300 1 1199 111 111 VAL CB C 31.262 0.300 1 1200 111 111 VAL CG1 C 24.749 0.300 2 1201 111 111 VAL CG2 C 22.403 0.300 2 1202 111 111 VAL N N 119.067 0.300 1 1203 112 112 THR H H 8.201 0.030 1 1204 112 112 THR HA H 3.745 0.030 1 1205 112 112 THR HB H 4.031 0.030 1 1206 112 112 THR HG2 H 1.090 0.030 1 1207 112 112 THR C C 175.815 0.300 1 1208 112 112 THR CA C 67.135 0.300 1 1209 112 112 THR CB C 68.604 0.300 1 1210 112 112 THR CG2 C 21.033 0.300 1 1211 112 112 THR N N 116.555 0.300 1 1212 113 113 ALA H H 7.640 0.030 1 1213 113 113 ALA HA H 4.175 0.030 1 1214 113 113 ALA HB H 1.457 0.030 1 1215 113 113 ALA C C 180.947 0.300 1 1216 113 113 ALA CA C 55.109 0.300 1 1217 113 113 ALA CB C 17.023 0.300 1 1218 113 113 ALA N N 123.520 0.300 1 1219 114 114 VAL H H 8.047 0.030 1 1220 114 114 VAL HA H 3.416 0.030 1 1221 114 114 VAL HB H 2.276 0.030 1 1222 114 114 VAL HG1 H 0.856 0.030 1 1223 114 114 VAL HG2 H 1.038 0.030 1 1224 114 114 VAL C C 176.768 0.300 1 1225 114 114 VAL CA C 67.343 0.300 1 1226 114 114 VAL CB C 31.257 0.300 1 1227 114 114 VAL CG1 C 21.528 0.300 2 1228 114 114 VAL CG2 C 24.266 0.300 2 1229 114 114 VAL N N 120.063 0.300 1 1230 115 115 GLN H H 9.145 0.030 1 1231 115 115 GLN HA H 3.640 0.030 1 1232 115 115 GLN HB2 H 2.518 0.030 2 1233 115 115 GLN HB3 H 2.090 0.030 2 1234 115 115 GLN HE21 H 7.492 0.030 2 1235 115 115 GLN HE22 H 7.015 0.030 2 1236 115 115 GLN HG2 H 2.416 0.030 2 1237 115 115 GLN HG3 H 2.177 0.030 2 1238 115 115 GLN C C 177.946 0.300 1 1239 115 115 GLN CA C 59.512 0.300 1 1240 115 115 GLN CB C 29.241 0.300 1 1241 115 115 GLN CG C 34.273 0.300 1 1242 115 115 GLN N N 121.614 0.300 1 1243 115 115 GLN NE2 N 114.162 0.300 1 1244 116 116 GLU H H 8.006 0.030 1 1245 116 116 GLU HA H 4.063 0.030 1 1246 116 116 GLU HB2 H 2.107 0.030 1 1247 116 116 GLU HB3 H 2.107 0.030 1 1248 116 116 GLU HG2 H 2.490 0.030 2 1249 116 116 GLU HG3 H 2.263 0.030 2 1250 116 116 GLU C C 179.231 0.300 1 1251 116 116 GLU CA C 59.500 0.300 1 1252 116 116 GLU CB C 29.403 0.300 1 1253 116 116 GLU CG C 36.365 0.300 1 1254 116 116 GLU N N 117.398 0.300 1 1255 117 117 LYS H H 7.683 0.030 1 1256 117 117 LYS HA H 4.324 0.030 1 1257 117 117 LYS HB2 H 2.131 0.030 2 1258 117 117 LYS HB3 H 1.857 0.030 2 1259 117 117 LYS HD2 H 2.000 0.030 2 1260 117 117 LYS HD3 H 1.697 0.030 2 1261 117 117 LYS HE2 H 2.822 0.030 1 1262 117 117 LYS HE3 H 2.822 0.030 1 1263 117 117 LYS HG2 H 1.340 0.030 1 1264 117 117 LYS HG3 H 1.340 0.030 1 1265 117 117 LYS C C 178.435 0.300 1 1266 117 117 LYS CA C 57.479 0.300 1 1267 117 117 LYS CB C 31.024 0.300 1 1268 117 117 LYS CD C 27.574 0.300 1 1269 117 117 LYS CE C 42.380 0.300 1 1270 117 117 LYS CG C 24.629 0.300 1 1271 117 117 LYS N N 121.612 0.300 1 1272 118 118 LEU H H 9.048 0.030 1 1273 118 118 LEU HA H 3.933 0.030 1 1274 118 118 LEU HB2 H 1.823 0.030 2 1275 118 118 LEU HB3 H 1.232 0.030 2 1276 118 118 LEU HD1 H 0.757 0.030 1 1277 118 118 LEU HD2 H 0.707 0.030 1 1278 118 118 LEU HG H 1.971 0.030 1 1279 118 118 LEU C C 178.420 0.300 1 1280 118 118 LEU CA C 58.251 0.300 1 1281 118 118 LEU CB C 40.012 0.300 1 1282 118 118 LEU CD1 C 26.530 0.300 2 1283 118 118 LEU CD2 C 22.508 0.300 2 1284 118 118 LEU CG C 26.307 0.300 1 1285 118 118 LEU N N 119.083 0.300 1 1286 119 119 ASN H H 7.899 0.030 1 1287 119 119 ASN HA H 4.533 0.030 1 1288 119 119 ASN HB2 H 3.018 0.030 2 1289 119 119 ASN HB3 H 2.897 0.030 2 1290 119 119 ASN HD21 H 7.608 0.030 2 1291 119 119 ASN HD22 H 7.284 0.030 2 1292 119 119 ASN C C 177.661 0.300 1 1293 119 119 ASN CA C 55.403 0.300 1 1294 119 119 ASN CB C 37.230 0.300 1 1295 119 119 ASN N N 116.976 0.300 1 1296 119 119 ASN ND2 N 110.748 0.300 1 1297 120 120 GLU H H 7.803 0.030 1 1298 120 120 GLU HA H 4.171 0.030 1 1299 120 120 GLU HB2 H 2.304 0.030 1 1300 120 120 GLU HB3 H 2.304 0.030 1 1301 120 120 GLU HG2 H 2.490 0.030 2 1302 120 120 GLU HG3 H 2.167 0.030 2 1303 120 120 GLU C C 179.160 0.300 1 1304 120 120 GLU CA C 59.262 0.300 1 1305 120 120 GLU CB C 29.898 0.300 1 1306 120 120 GLU CG C 36.499 0.300 1 1307 120 120 GLU N N 122.184 0.300 1 1308 121 121 ILE H H 8.371 0.030 1 1309 121 121 ILE HA H 3.672 0.030 1 1310 121 121 ILE HB H 1.985 0.030 1 1311 121 121 ILE HD1 H 0.824 0.030 1 1312 121 121 ILE HG12 H 1.888 0.030 2 1313 121 121 ILE HG13 H 1.086 0.030 2 1314 121 121 ILE HG2 H 0.894 0.030 1 1315 121 121 ILE C C 179.237 0.300 1 1316 121 121 ILE CA C 65.513 0.300 1 1317 121 121 ILE CB C 38.260 0.300 1 1318 121 121 ILE CD1 C 15.021 0.300 1 1319 121 121 ILE CG1 C 29.491 0.300 1 1320 121 121 ILE CG2 C 17.432 0.300 1 1321 121 121 ILE N N 121.131 0.300 1 1322 122 122 VAL H H 8.076 0.030 1 1323 122 122 VAL HA H 3.900 0.030 1 1324 122 122 VAL HB H 2.202 0.030 1 1325 122 122 VAL HG1 H 1.091 0.030 1 1326 122 122 VAL HG2 H 1.143 0.030 1 1327 122 122 VAL C C 177.176 0.300 1 1328 122 122 VAL CA C 65.471 0.300 1 1329 122 122 VAL CB C 31.670 0.300 1 1330 122 122 VAL CG1 C 20.783 0.300 2 1331 122 122 VAL CG2 C 23.028 0.300 2 1332 122 122 VAL N N 118.243 0.300 1 1333 123 123 ASP H H 7.450 0.030 1 1334 123 123 ASP HA H 4.596 0.030 1 1335 123 123 ASP HB2 H 2.789 0.030 1 1336 123 123 ASP HB3 H 2.789 0.030 1 1337 123 123 ASP C C 177.560 0.300 1 1338 123 123 ASP CA C 56.360 0.300 1 1339 123 123 ASP CB C 41.508 0.300 1 1340 123 123 ASP N N 120.691 0.300 1 1341 124 124 GLN H H 7.860 0.030 1 1342 124 124 GLN HA H 4.290 0.030 1 1343 124 124 GLN HB2 H 2.221 0.030 2 1344 124 124 GLN HB3 H 2.175 0.030 2 1345 124 124 GLN HE21 H 7.533 0.030 2 1346 124 124 GLN HE22 H 6.913 0.030 2 1347 124 124 GLN HG2 H 2.548 0.030 2 1348 124 124 GLN HG3 H 2.468 0.030 2 1349 124 124 GLN C C 177.736 0.300 1 1350 124 124 GLN CA C 56.502 0.300 1 1351 124 124 GLN CB C 29.011 0.300 1 1352 124 124 GLN CG C 34.016 0.300 1 1353 124 124 GLN N N 116.870 0.300 1 1354 124 124 GLN NE2 N 112.475 0.300 1 1355 125 125 ILE H H 7.822 0.030 1 1356 125 125 ILE HA H 3.874 0.030 1 1357 125 125 ILE HB H 2.000 0.030 1 1358 125 125 ILE HD1 H 0.876 0.030 1 1359 125 125 ILE HG12 H 1.684 0.030 2 1360 125 125 ILE HG13 H 1.247 0.030 2 1361 125 125 ILE HG2 H 0.951 0.030 1 1362 125 125 ILE C C 177.205 0.300 1 1363 125 125 ILE CA C 64.098 0.300 1 1364 125 125 ILE CB C 38.232 0.300 1 1365 125 125 ILE CD1 C 13.770 0.300 1 1366 125 125 ILE CG1 C 28.474 0.300 1 1367 125 125 ILE CG2 C 17.408 0.300 1 1368 125 125 ILE N N 120.787 0.300 1 1369 126 126 LYS H H 8.066 0.030 1 1370 126 126 LYS HA H 4.357 0.030 1 1371 126 126 LYS HB2 H 1.919 0.030 1 1372 126 126 LYS HB3 H 1.919 0.030 1 1373 126 126 LYS HD2 H 1.722 0.030 1 1374 126 126 LYS HD3 H 1.722 0.030 1 1375 126 126 LYS HE2 H 3.024 0.030 1 1376 126 126 LYS HE3 H 3.024 0.030 1 1377 126 126 LYS HG2 H 1.518 0.030 1 1378 126 126 LYS HG3 H 1.518 0.030 1 1379 126 126 LYS C C 177.176 0.300 1 1380 126 126 LYS CA C 57.251 0.300 1 1381 126 126 LYS CB C 32.762 0.300 1 1382 126 126 LYS CD C 29.198 0.300 1 1383 126 126 LYS CE C 42.154 0.300 1 1384 126 126 LYS CG C 24.749 0.300 1 1385 126 126 LYS N N 120.779 0.300 1 1386 127 127 THR H H 7.988 0.030 1 1387 127 127 THR HA H 4.411 0.030 1 1388 127 127 THR HB H 4.376 0.030 1 1389 127 127 THR HG2 H 1.222 0.030 1 1390 127 127 THR C C 174.084 0.300 1 1391 127 127 THR CA C 61.825 0.300 1 1392 127 127 THR CB C 69.649 0.300 1 1393 127 127 THR CG2 C 21.736 0.300 1 1394 127 127 THR N N 112.201 0.300 1 1395 128 128 ARG H H 7.669 0.030 1 1396 128 128 ARG HA H 4.135 0.030 1 1397 128 128 ARG HB2 H 1.889 0.030 2 1398 128 128 ARG HB3 H 1.773 0.030 2 1399 128 128 ARG HD2 H 3.156 0.030 1 1400 128 128 ARG HD3 H 3.156 0.030 1 1401 128 128 ARG HG2 H 1.719 0.030 2 1402 128 128 ARG HG3 H 1.665 0.030 2 1403 128 128 ARG C C 181.236 0.300 1 1404 128 128 ARG CA C 58.299 0.300 1 1405 128 128 ARG CB C 31.462 0.300 1 1406 128 128 ARG CD C 44.013 0.300 1 1407 128 128 ARG CG C 27.429 0.300 1 1408 128 128 ARG N N 128.545 0.300 1 stop_ save_