data_10126 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the R3H domain from human hypothetical protein BAA76846 ; _BMRB_accession_number 10126 _BMRB_flat_file_name bmr10126.str _Entry_type new _Submission_date 2007-04-02 _Accession_date 2007-04-04 _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 Nagata T. . . 2 Muto Y. . . 3 Inoue M. . . 4 Kigawa T. . . 5 Terada T. . . 6 Shirouzu 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" 718 "13C chemical shifts" 531 "15N chemical shifts" 121 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-09-02 original author . stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of the R3H domain from human hypothetical protein BAA76846' _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 Nagata T. . . 2 Muto Y. . . 3 Inoue M. . . 4 Kigawa T. . . 5 Terada T. . . 6 Shirouzu M. . . 7 Yokoyama S. . . stop_ _Journal_abbreviation 'Not known' _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 'Hypothetical KIAA1002 protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Hypothetical KIAA1002 protein' $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 'R3H domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 124 _Mol_residue_sequence ; GSSGSSGTDSTGIDLHEFLV NTLKKNPRDRMMLLKLEQEI LEFINDNNNQFKKFPQMTSY HRMLLHRVAAYFGMDHNVDQ TGKAVIINKTSNTRIPEQRF SEHIKDEKNTEFQQRFILSG PSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 THR 9 ASP 10 SER 11 THR 12 GLY 13 ILE 14 ASP 15 LEU 16 HIS 17 GLU 18 PHE 19 LEU 20 VAL 21 ASN 22 THR 23 LEU 24 LYS 25 LYS 26 ASN 27 PRO 28 ARG 29 ASP 30 ARG 31 MET 32 MET 33 LEU 34 LEU 35 LYS 36 LEU 37 GLU 38 GLN 39 GLU 40 ILE 41 LEU 42 GLU 43 PHE 44 ILE 45 ASN 46 ASP 47 ASN 48 ASN 49 ASN 50 GLN 51 PHE 52 LYS 53 LYS 54 PHE 55 PRO 56 GLN 57 MET 58 THR 59 SER 60 TYR 61 HIS 62 ARG 63 MET 64 LEU 65 LEU 66 HIS 67 ARG 68 VAL 69 ALA 70 ALA 71 TYR 72 PHE 73 GLY 74 MET 75 ASP 76 HIS 77 ASN 78 VAL 79 ASP 80 GLN 81 THR 82 GLY 83 LYS 84 ALA 85 VAL 86 ILE 87 ILE 88 ASN 89 LYS 90 THR 91 SER 92 ASN 93 THR 94 ARG 95 ILE 96 PRO 97 GLU 98 GLN 99 ARG 100 PHE 101 SER 102 GLU 103 HIS 104 ILE 105 LYS 106 ASP 107 GLU 108 LYS 109 ASN 110 THR 111 GLU 112 PHE 113 GLN 114 GLN 115 ARG 116 PHE 117 ILE 118 LEU 119 SER 120 GLY 121 PRO 122 SER 123 SER 124 GLY 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 1WHR "Solution Structure Of The R3h Domain From Human Hypothetical Protein Baa76846" 100.00 124 100.00 100.00 2.00e-85 DBJ BAA76846 "KIAA1002 protein [Homo sapiens]" 89.52 962 100.00 100.00 2.26e-71 DBJ BAC65698 "mKIAA1002 protein [Mus musculus]" 89.52 1070 98.20 100.00 1.15e-69 DBJ BAG10408 "R3H domain-containing protein 2 [synthetic construct]" 89.52 840 100.00 100.00 7.12e-72 EMBL CAH91820 "hypothetical protein [Pongo abelii]" 89.52 823 100.00 100.00 4.43e-72 GB AAH43083 "R3hdm2 protein, partial [Mus musculus]" 89.52 970 98.20 100.00 5.59e-70 GB AAH64442 "R3hdm2 protein, partial [Mus musculus]" 89.52 861 98.20 100.00 4.12e-70 GB AAI17928 "R3hdm2 protein [Mus musculus]" 89.52 1012 98.20 100.00 6.59e-70 GB AAI26609 "R3H domain containing 2 [Bos taurus]" 89.52 989 99.10 100.00 3.26e-70 GB EDL24504 "R3H domain containing 2, isoform CRA_a [Mus musculus]" 89.52 992 98.20 100.00 1.04e-69 REF NP_001071502 "R3H domain-containing protein 2 [Bos taurus]" 89.52 989 99.10 100.00 3.26e-70 REF NP_001124029 "R3H domain-containing protein 2 [Rattus norvegicus]" 89.52 993 97.30 100.00 4.39e-69 REF NP_001126053 "R3H domain-containing protein 2 [Pongo abelii]" 89.52 823 100.00 100.00 4.43e-72 REF NP_001161764 "R3H domain-containing protein 2 isoform 1 [Mus musculus]" 89.52 1044 98.20 100.00 9.36e-70 REF NP_001161765 "R3H domain-containing protein 2 isoform 3 [Mus musculus]" 89.52 1012 98.20 100.00 6.59e-70 SP A0JNC2 "RecName: Full=R3H domain-containing protein 2" 89.52 989 99.10 100.00 3.26e-70 SP Q80TM6 "RecName: Full=R3H domain-containing protein 2" 89.52 1044 98.20 100.00 9.36e-70 SP Q9Y2K5 "RecName: Full=R3H domain-containing protein 2" 89.52 976 100.00 100.00 2.57e-71 TPG DAA29558 "TPA: R3H domain-containing protein 2 [Bos taurus]" 89.52 967 99.10 100.00 2.45e-70 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' . . . . plasmid P040119-75 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 1.03 mM '[U-13C; U-15N]' d-Tris-HCl 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 NMRVIEW _Version 5.0.4 loop_ _Vendor _Address _Electronic_address Johnson . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_2 _Saveframe_category software _Name CYANA _Version 2.0 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task 'structure solution' refinement stop_ _Details . save_ save_software_3 _Saveframe_category software _Name NMRPipe _Version 2.3 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_4 _Saveframe_category software _Name Kujira _Version 0.901 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' 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' 100 0.1 mM pH 7.0 0.05 pH pressure 1 0.001 atm temperature 298 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Saveframe_category chemical_shift_reference _Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS 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 'Hypothetical KIAA1002 protein' _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 4.539 0.030 1 2 6 6 SER HB2 H 3.925 0.030 1 3 6 6 SER HB3 H 3.925 0.030 1 4 6 6 SER C C 175.055 0.300 1 5 6 6 SER CA C 58.628 0.300 1 6 6 6 SER CB C 64.024 0.300 1 7 7 7 GLY H H 8.447 0.030 1 8 7 7 GLY HA2 H 4.055 0.030 1 9 7 7 GLY HA3 H 4.055 0.030 1 10 7 7 GLY C C 174.490 0.300 1 11 7 7 GLY CA C 45.487 0.300 1 12 7 7 GLY N N 110.695 0.300 1 13 8 8 THR H H 8.102 0.030 1 14 8 8 THR HA H 4.347 0.030 1 15 8 8 THR HB H 4.202 0.030 1 16 8 8 THR HG2 H 1.155 0.030 1 17 8 8 THR C C 174.471 0.300 1 18 8 8 THR CA C 62.058 0.300 1 19 8 8 THR CB C 69.861 0.300 1 20 8 8 THR CG2 C 21.473 0.300 1 21 8 8 THR N N 113.189 0.300 1 22 9 9 ASP H H 8.414 0.030 1 23 9 9 ASP HA H 4.779 0.030 1 24 9 9 ASP C C 176.501 0.300 1 25 9 9 ASP CA C 54.530 0.300 1 26 9 9 ASP CB C 41.489 0.300 1 27 9 9 ASP N N 122.533 0.300 1 28 10 10 SER HA H 4.497 0.030 1 29 10 10 SER HB2 H 3.853 0.030 2 30 10 10 SER HB3 H 3.970 0.030 2 31 10 10 SER C C 174.910 0.300 1 32 10 10 SER CA C 58.869 0.300 1 33 10 10 SER CB C 63.784 0.300 1 34 11 11 THR H H 8.248 0.030 1 35 11 11 THR HA H 4.350 0.030 1 36 11 11 THR HB H 4.290 0.030 1 37 11 11 THR HG2 H 1.269 0.030 1 38 11 11 THR C C 175.512 0.300 1 39 11 11 THR CA C 62.875 0.300 1 40 11 11 THR CB C 69.733 0.300 1 41 11 11 THR CG2 C 21.686 0.300 1 42 11 11 THR N N 115.346 0.300 1 43 12 12 GLY H H 8.512 0.030 1 44 12 12 GLY HA2 H 4.019 0.030 1 45 12 12 GLY HA3 H 4.019 0.030 1 46 12 12 GLY C C 174.397 0.300 1 47 12 12 GLY CA C 45.775 0.300 1 48 12 12 GLY N N 111.213 0.300 1 49 13 13 ILE H H 7.841 0.030 1 50 13 13 ILE HA H 4.255 0.030 1 51 13 13 ILE HB H 1.854 0.030 1 52 13 13 ILE HG12 H 1.116 0.030 2 53 13 13 ILE HG13 H 1.384 0.030 2 54 13 13 ILE HG2 H 0.839 0.030 1 55 13 13 ILE HD1 H 0.731 0.030 1 56 13 13 ILE C C 175.487 0.300 1 57 13 13 ILE CA C 60.925 0.300 1 58 13 13 ILE CB C 39.486 0.300 1 59 13 13 ILE CG1 C 27.486 0.300 1 60 13 13 ILE CG2 C 17.215 0.300 1 61 13 13 ILE CD1 C 13.099 0.300 1 62 13 13 ILE N N 119.748 0.300 1 63 14 14 ASP H H 8.434 0.030 1 64 14 14 ASP HA H 4.696 0.030 1 65 14 14 ASP HB2 H 2.705 0.030 2 66 14 14 ASP HB3 H 2.934 0.030 2 67 14 14 ASP C C 177.029 0.300 1 68 14 14 ASP CA C 54.389 0.300 1 69 14 14 ASP CB C 40.986 0.300 1 70 14 14 ASP N N 124.060 0.300 1 71 15 15 LEU H H 8.432 0.030 1 72 15 15 LEU HA H 4.048 0.030 1 73 15 15 LEU HB2 H 1.704 0.030 2 74 15 15 LEU HB3 H 2.018 0.030 2 75 15 15 LEU HG H 1.852 0.030 1 76 15 15 LEU HD1 H 1.145 0.030 1 77 15 15 LEU HD2 H 1.068 0.030 1 78 15 15 LEU C C 177.662 0.300 1 79 15 15 LEU CA C 58.269 0.300 1 80 15 15 LEU CB C 42.962 0.300 1 81 15 15 LEU CG C 27.292 0.300 1 82 15 15 LEU CD1 C 25.111 0.300 2 83 15 15 LEU CD2 C 24.111 0.300 2 84 15 15 LEU N N 126.486 0.300 1 85 16 16 HIS H H 8.293 0.030 1 86 16 16 HIS HA H 4.043 0.030 1 87 16 16 HIS HB2 H 3.467 0.030 1 88 16 16 HIS HB3 H 3.467 0.030 1 89 16 16 HIS HD2 H 7.041 0.030 1 90 16 16 HIS HE1 H 7.742 0.030 1 91 16 16 HIS C C 176.218 0.300 1 92 16 16 HIS CA C 60.986 0.300 1 93 16 16 HIS CB C 31.236 0.300 1 94 16 16 HIS CD2 C 118.485 0.300 1 95 16 16 HIS CE1 C 138.485 0.300 1 96 16 16 HIS N N 117.861 0.300 1 97 17 17 GLU H H 8.141 0.030 1 98 17 17 GLU HA H 3.749 0.030 1 99 17 17 GLU HB2 H 2.072 0.030 2 100 17 17 GLU HB3 H 2.041 0.030 2 101 17 17 GLU HG2 H 2.381 0.030 2 102 17 17 GLU HG3 H 2.289 0.030 2 103 17 17 GLU C C 178.621 0.300 1 104 17 17 GLU CA C 59.419 0.300 1 105 17 17 GLU CB C 29.611 0.300 1 106 17 17 GLU CG C 36.376 0.300 1 107 17 17 GLU N N 116.963 0.300 1 108 18 18 PHE H H 8.265 0.030 1 109 18 18 PHE HA H 4.175 0.030 1 110 18 18 PHE HB2 H 3.084 0.030 2 111 18 18 PHE HB3 H 3.323 0.030 2 112 18 18 PHE HD1 H 7.110 0.030 1 113 18 18 PHE HD2 H 7.110 0.030 1 114 18 18 PHE HE1 H 7.142 0.030 1 115 18 18 PHE HE2 H 7.142 0.030 1 116 18 18 PHE C C 178.640 0.300 1 117 18 18 PHE CA C 61.430 0.300 1 118 18 18 PHE CB C 39.111 0.300 1 119 18 18 PHE CD1 C 131.610 0.300 1 120 18 18 PHE CD2 C 131.610 0.300 1 121 18 18 PHE CE1 C 131.610 0.300 1 122 18 18 PHE CE2 C 131.610 0.300 1 123 18 18 PHE N N 118.311 0.300 1 124 19 19 LEU H H 8.307 0.030 1 125 19 19 LEU HA H 3.290 0.030 1 126 19 19 LEU HB2 H 1.510 0.030 2 127 19 19 LEU HB3 H 0.515 0.030 2 128 19 19 LEU HG H 1.768 0.030 1 129 19 19 LEU HD1 H 0.298 0.030 1 130 19 19 LEU HD2 H 0.616 0.030 1 131 19 19 LEU C C 177.541 0.300 1 132 19 19 LEU CA C 58.244 0.300 1 133 19 19 LEU CB C 40.618 0.300 1 134 19 19 LEU CG C 27.236 0.300 1 135 19 19 LEU CD1 C 25.236 0.300 2 136 19 19 LEU CD2 C 23.111 0.300 2 137 19 19 LEU N N 123.431 0.300 1 138 20 20 VAL H H 8.227 0.030 1 139 20 20 VAL HA H 2.867 0.030 1 140 20 20 VAL HB H 1.563 0.030 1 141 20 20 VAL HG1 H 0.527 0.030 1 142 20 20 VAL HG2 H -0.321 0.030 1 143 20 20 VAL C C 177.692 0.300 1 144 20 20 VAL CA C 67.330 0.300 1 145 20 20 VAL CB C 31.232 0.300 1 146 20 20 VAL CG1 C 21.260 0.300 2 147 20 20 VAL CG2 C 20.209 0.300 2 148 20 20 VAL N N 118.760 0.300 1 149 21 21 ASN H H 8.120 0.030 1 150 21 21 ASN HA H 4.205 0.030 1 151 21 21 ASN HB2 H 2.521 0.030 2 152 21 21 ASN HB3 H 2.774 0.030 2 153 21 21 ASN HD21 H 7.544 0.030 2 154 21 21 ASN HD22 H 7.004 0.030 2 155 21 21 ASN C C 177.627 0.300 1 156 21 21 ASN CA C 56.486 0.300 1 157 21 21 ASN CB C 38.392 0.300 1 158 21 21 ASN N N 115.795 0.300 1 159 21 21 ASN ND2 N 113.279 0.300 1 160 22 22 THR H H 7.614 0.030 1 161 22 22 THR HA H 3.583 0.030 1 162 22 22 THR HB H 3.661 0.030 1 163 22 22 THR HG2 H 1.015 0.030 1 164 22 22 THR C C 175.309 0.300 1 165 22 22 THR CA C 67.507 0.300 1 166 22 22 THR CB C 67.818 0.300 1 167 22 22 THR CG2 C 22.600 0.300 1 168 22 22 THR N N 116.963 0.300 1 169 23 23 LEU H H 7.947 0.030 1 170 23 23 LEU HA H 3.514 0.030 1 171 23 23 LEU HB2 H 1.912 0.030 2 172 23 23 LEU HB3 H 1.115 0.030 2 173 23 23 LEU HG H 1.433 0.030 1 174 23 23 LEU HD1 H 0.537 0.030 1 175 23 23 LEU HD2 H 0.687 0.030 1 176 23 23 LEU C C 178.523 0.300 1 177 23 23 LEU CA C 58.093 0.300 1 178 23 23 LEU CB C 42.391 0.300 1 179 23 23 LEU CG C 26.746 0.300 1 180 23 23 LEU CD1 C 25.746 0.300 2 181 23 23 LEU CD2 C 24.704 0.300 2 182 23 23 LEU N N 119.573 0.300 1 183 24 24 LYS H H 7.928 0.030 1 184 24 24 LYS HA H 3.895 0.030 1 185 24 24 LYS HB2 H 1.816 0.030 1 186 24 24 LYS HB3 H 1.816 0.030 1 187 24 24 LYS HG2 H 1.429 0.030 2 188 24 24 LYS HG3 H 1.645 0.030 2 189 24 24 LYS HD2 H 1.652 0.030 1 190 24 24 LYS HD3 H 1.652 0.030 1 191 24 24 LYS HE2 H 2.984 0.030 1 192 24 24 LYS HE3 H 2.984 0.030 1 193 24 24 LYS C C 178.760 0.300 1 194 24 24 LYS CA C 59.992 0.300 1 195 24 24 LYS CB C 33.677 0.300 1 196 24 24 LYS CG C 26.236 0.300 1 197 24 24 LYS CD C 29.736 0.300 1 198 24 24 LYS CE C 42.195 0.300 1 199 24 24 LYS N N 115.436 0.300 1 200 25 25 LYS H H 7.910 0.030 1 201 25 25 LYS HA H 4.279 0.030 1 202 25 25 LYS HB2 H 1.874 0.030 1 203 25 25 LYS HB3 H 1.874 0.030 1 204 25 25 LYS HG2 H 1.502 0.030 2 205 25 25 LYS HG3 H 1.426 0.030 2 206 25 25 LYS HD2 H 1.624 0.030 1 207 25 25 LYS HD3 H 1.624 0.030 1 208 25 25 LYS HE2 H 2.978 0.030 1 209 25 25 LYS HE3 H 2.978 0.030 1 210 25 25 LYS C C 176.587 0.300 1 211 25 25 LYS CA C 57.703 0.300 1 212 25 25 LYS CB C 33.707 0.300 1 213 25 25 LYS CG C 25.391 0.300 1 214 25 25 LYS CD C 28.861 0.300 1 215 25 25 LYS CE C 42.337 0.300 1 216 25 25 LYS N N 114.986 0.300 1 217 26 26 ASN H H 7.855 0.030 1 218 26 26 ASN HA H 5.295 0.030 1 219 26 26 ASN HB2 H 2.908 0.030 2 220 26 26 ASN HB3 H 3.083 0.030 2 221 26 26 ASN C C 172.539 0.300 1 222 26 26 ASN CA C 50.335 0.300 1 223 26 26 ASN CB C 39.206 0.300 1 224 26 26 ASN N N 116.783 0.300 1 225 27 27 PRO HA H 4.022 0.030 1 226 27 27 PRO HB2 H 2.011 0.030 2 227 27 27 PRO HB3 H 2.364 0.030 2 228 27 27 PRO HG2 H 1.954 0.030 2 229 27 27 PRO HG3 H 2.149 0.030 2 230 27 27 PRO HD2 H 3.896 0.030 2 231 27 27 PRO HD3 H 3.726 0.030 2 232 27 27 PRO C C 178.377 0.300 1 233 27 27 PRO CA C 65.618 0.300 1 234 27 27 PRO CB C 32.370 0.300 1 235 27 27 PRO CG C 27.654 0.300 1 236 27 27 PRO CD C 50.782 0.300 1 237 28 28 ARG H H 8.179 0.030 1 238 28 28 ARG HA H 4.194 0.030 1 239 28 28 ARG HB2 H 1.964 0.030 1 240 28 28 ARG HB3 H 1.964 0.030 1 241 28 28 ARG HG2 H 1.653 0.030 2 242 28 28 ARG HG3 H 1.808 0.030 2 243 28 28 ARG HD2 H 3.267 0.030 1 244 28 28 ARG HD3 H 3.267 0.030 1 245 28 28 ARG C C 178.695 0.300 1 246 28 28 ARG CA C 58.986 0.300 1 247 28 28 ARG CB C 29.736 0.300 1 248 28 28 ARG CG C 27.350 0.300 1 249 28 28 ARG CD C 43.351 0.300 1 250 28 28 ARG N N 117.232 0.300 1 251 29 29 ASP H H 7.813 0.030 1 252 29 29 ASP HA H 4.522 0.030 1 253 29 29 ASP HB2 H 2.497 0.030 2 254 29 29 ASP HB3 H 2.563 0.030 2 255 29 29 ASP C C 177.581 0.300 1 256 29 29 ASP CA C 56.377 0.300 1 257 29 29 ASP CB C 40.618 0.300 1 258 29 29 ASP N N 120.826 0.300 1 259 30 30 ARG H H 8.314 0.030 1 260 30 30 ARG HA H 3.760 0.030 1 261 30 30 ARG HB2 H 2.011 0.030 2 262 30 30 ARG HB3 H 2.298 0.030 2 263 30 30 ARG HG2 H 1.701 0.030 2 264 30 30 ARG HG3 H 1.579 0.030 2 265 30 30 ARG HD2 H 3.263 0.030 2 266 30 30 ARG HD3 H 3.318 0.030 2 267 30 30 ARG C C 176.925 0.300 1 268 30 30 ARG CA C 60.236 0.300 1 269 30 30 ARG CB C 30.986 0.300 1 270 30 30 ARG CG C 26.361 0.300 1 271 30 30 ARG CD C 44.642 0.300 1 272 30 30 ARG N N 119.748 0.300 1 273 31 31 MET H H 7.818 0.030 1 274 31 31 MET HA H 4.216 0.030 1 275 31 31 MET HB2 H 2.249 0.030 2 276 31 31 MET HB3 H 2.209 0.030 2 277 31 31 MET HG2 H 2.742 0.030 2 278 31 31 MET HG3 H 2.813 0.030 2 279 31 31 MET HE H 2.162 0.030 1 280 31 31 MET C C 179.119 0.300 1 281 31 31 MET CA C 58.636 0.300 1 282 31 31 MET CB C 31.475 0.300 1 283 31 31 MET CG C 32.027 0.300 1 284 31 31 MET CE C 17.032 0.300 1 285 31 31 MET N N 115.436 0.300 1 286 32 32 MET H H 7.687 0.030 1 287 32 32 MET HA H 4.309 0.030 1 288 32 32 MET HB2 H 2.142 0.030 2 289 32 32 MET HB3 H 1.972 0.030 2 290 32 32 MET HG2 H 2.217 0.030 2 291 32 32 MET HG3 H 2.303 0.030 2 292 32 32 MET HE H 1.720 0.030 1 293 32 32 MET C C 178.255 0.300 1 294 32 32 MET CA C 58.124 0.300 1 295 32 32 MET CB C 31.861 0.300 1 296 32 32 MET CG C 32.361 0.300 1 297 32 32 MET CE C 17.097 0.300 1 298 32 32 MET N N 119.245 0.300 1 299 33 33 LEU H H 8.495 0.030 1 300 33 33 LEU HA H 4.040 0.030 1 301 33 33 LEU HB2 H 1.333 0.030 2 302 33 33 LEU HB3 H 1.995 0.030 2 303 33 33 LEU HG H 1.756 0.030 1 304 33 33 LEU HD1 H 0.525 0.030 1 305 33 33 LEU HD2 H 0.716 0.030 1 306 33 33 LEU C C 179.005 0.300 1 307 33 33 LEU CA C 58.736 0.300 1 308 33 33 LEU CB C 41.923 0.300 1 309 33 33 LEU CG C 27.361 0.300 1 310 33 33 LEU CD1 C 26.257 0.300 2 311 33 33 LEU CD2 C 24.798 0.300 2 312 33 33 LEU N N 119.790 0.300 1 313 34 34 LEU H H 8.558 0.030 1 314 34 34 LEU HA H 4.398 0.030 1 315 34 34 LEU HB2 H 1.655 0.030 2 316 34 34 LEU HB3 H 1.987 0.030 2 317 34 34 LEU HG H 1.983 0.030 1 318 34 34 LEU HD1 H 0.929 0.030 1 319 34 34 LEU HD2 H 1.039 0.030 1 320 34 34 LEU C C 180.491 0.300 1 321 34 34 LEU CA C 58.335 0.300 1 322 34 34 LEU CB C 41.288 0.300 1 323 34 34 LEU CG C 27.394 0.300 1 324 34 34 LEU CD1 C 25.893 0.300 2 325 34 34 LEU CD2 C 23.725 0.300 2 326 34 34 LEU N N 118.184 0.300 1 327 35 35 LYS H H 7.875 0.030 1 328 35 35 LYS HA H 4.252 0.030 1 329 35 35 LYS HB2 H 2.030 0.030 2 330 35 35 LYS HB3 H 2.158 0.030 2 331 35 35 LYS HG2 H 1.512 0.030 2 332 35 35 LYS HG3 H 1.627 0.030 2 333 35 35 LYS HD2 H 1.752 0.030 1 334 35 35 LYS HD3 H 1.752 0.030 1 335 35 35 LYS HE2 H 3.038 0.030 2 336 35 35 LYS C C 178.813 0.300 1 337 35 35 LYS CA C 59.497 0.300 1 338 35 35 LYS CB C 32.454 0.300 1 339 35 35 LYS CG C 25.007 0.300 1 340 35 35 LYS CD C 29.443 0.300 1 341 35 35 LYS CE C 42.266 0.300 1 342 35 35 LYS N N 122.172 0.300 1 343 36 36 LEU H H 8.530 0.030 1 344 36 36 LEU HA H 4.178 0.030 1 345 36 36 LEU HB2 H 1.261 0.030 2 346 36 36 LEU HB3 H 2.125 0.030 2 347 36 36 LEU HG H 2.095 0.030 1 348 36 36 LEU HD1 H 0.703 0.030 1 349 36 36 LEU HD2 H 0.788 0.030 1 350 36 36 LEU C C 178.740 0.300 1 351 36 36 LEU CA C 57.949 0.300 1 352 36 36 LEU CB C 42.434 0.300 1 353 36 36 LEU CG C 26.329 0.300 1 354 36 36 LEU CD1 C 25.486 0.300 2 355 36 36 LEU CD2 C 22.986 0.300 2 356 36 36 LEU N N 118.850 0.300 1 357 37 37 GLU H H 8.653 0.030 1 358 37 37 GLU HA H 3.545 0.030 1 359 37 37 GLU HB2 H 2.199 0.030 2 360 37 37 GLU HB3 H 2.437 0.030 2 361 37 37 GLU HG2 H 1.777 0.030 2 362 37 37 GLU HG3 H 2.120 0.030 2 363 37 37 GLU C C 177.539 0.300 1 364 37 37 GLU CA C 60.090 0.300 1 365 37 37 GLU CB C 30.600 0.300 1 366 37 37 GLU CG C 36.383 0.300 1 367 37 37 GLU N N 118.867 0.300 1 368 38 38 GLN H H 7.665 0.030 1 369 38 38 GLN HA H 4.031 0.030 1 370 38 38 GLN HB2 H 2.356 0.030 1 371 38 38 GLN HB3 H 2.356 0.030 1 372 38 38 GLN HG2 H 2.533 0.030 1 373 38 38 GLN HG3 H 2.533 0.030 1 374 38 38 GLN HE21 H 7.825 0.030 2 375 38 38 GLN HE22 H 6.828 0.030 2 376 38 38 GLN C C 178.701 0.300 1 377 38 38 GLN CA C 59.275 0.300 1 378 38 38 GLN CB C 28.204 0.300 1 379 38 38 GLN CG C 33.350 0.300 1 380 38 38 GLN N N 116.740 0.300 1 381 38 38 GLN NE2 N 112.729 0.300 1 382 39 39 GLU H H 8.255 0.030 1 383 39 39 GLU HA H 4.109 0.030 1 384 39 39 GLU HB2 H 1.999 0.030 2 385 39 39 GLU HB3 H 2.378 0.030 2 386 39 39 GLU HG2 H 2.606 0.030 2 387 39 39 GLU HG3 H 2.298 0.030 2 388 39 39 GLU C C 180.440 0.300 1 389 39 39 GLU CA C 59.715 0.300 1 390 39 39 GLU CB C 30.222 0.300 1 391 39 39 GLU CG C 37.153 0.300 1 392 39 39 GLU N N 118.670 0.300 1 393 40 40 ILE H H 8.700 0.030 1 394 40 40 ILE HA H 3.734 0.030 1 395 40 40 ILE HB H 1.489 0.030 1 396 40 40 ILE HG12 H 0.890 0.030 2 397 40 40 ILE HG13 H 1.727 0.030 2 398 40 40 ILE HG2 H 0.139 0.030 1 399 40 40 ILE HD1 H 0.540 0.030 1 400 40 40 ILE C C 177.418 0.300 1 401 40 40 ILE CA C 65.798 0.300 1 402 40 40 ILE CB C 36.861 0.300 1 403 40 40 ILE CG1 C 31.027 0.300 1 404 40 40 ILE CG2 C 17.236 0.300 1 405 40 40 ILE CD1 C 12.862 0.300 1 406 40 40 ILE N N 122.084 0.300 1 407 41 41 LEU H H 8.662 0.030 1 408 41 41 LEU HA H 3.951 0.030 1 409 41 41 LEU HB2 H 1.455 0.030 2 410 41 41 LEU HB3 H 2.005 0.030 2 411 41 41 LEU HG H 1.896 0.030 1 412 41 41 LEU HD1 H 0.888 0.030 1 413 41 41 LEU HD2 H 1.031 0.030 1 414 41 41 LEU C C 179.805 0.300 1 415 41 41 LEU CA C 58.882 0.300 1 416 41 41 LEU CB C 41.350 0.300 1 417 41 41 LEU CG C 27.248 0.300 1 418 41 41 LEU CD1 C 25.699 0.300 2 419 41 41 LEU CD2 C 23.736 0.300 2 420 41 41 LEU N N 122.623 0.300 1 421 42 42 GLU H H 8.038 0.030 1 422 42 42 GLU HA H 4.029 0.030 1 423 42 42 GLU HB2 H 2.133 0.030 1 424 42 42 GLU HB3 H 2.133 0.030 1 425 42 42 GLU HG2 H 2.523 0.030 2 426 42 42 GLU HG3 H 2.310 0.030 2 427 42 42 GLU C C 178.812 0.300 1 428 42 42 GLU CA C 59.719 0.300 1 429 42 42 GLU CB C 29.486 0.300 1 430 42 42 GLU CG C 36.683 0.300 1 431 42 42 GLU N N 118.785 0.300 1 432 43 43 PHE H H 7.648 0.030 1 433 43 43 PHE HA H 4.842 0.030 1 434 43 43 PHE HB2 H 3.345 0.030 2 435 43 43 PHE HB3 H 3.407 0.030 2 436 43 43 PHE HD1 H 7.287 0.030 1 437 43 43 PHE HD2 H 7.287 0.030 1 438 43 43 PHE HE1 H 7.009 0.030 1 439 43 43 PHE HE2 H 7.009 0.030 1 440 43 43 PHE C C 178.677 0.300 1 441 43 43 PHE CA C 58.621 0.300 1 442 43 43 PHE CB C 39.472 0.300 1 443 43 43 PHE CD1 C 131.687 0.300 1 444 43 43 PHE CD2 C 131.687 0.300 1 445 43 43 PHE CE1 C 131.610 0.300 1 446 43 43 PHE CE2 C 131.610 0.300 1 447 43 43 PHE N N 120.556 0.300 1 448 44 44 ILE H H 8.751 0.030 1 449 44 44 ILE HA H 3.109 0.030 1 450 44 44 ILE HB H 1.903 0.030 1 451 44 44 ILE HG12 H 0.785 0.030 2 452 44 44 ILE HG13 H 1.776 0.030 2 453 44 44 ILE HG2 H 0.876 0.030 1 454 44 44 ILE HD1 H 0.933 0.030 1 455 44 44 ILE C C 176.668 0.300 1 456 44 44 ILE CA C 65.902 0.300 1 457 44 44 ILE CB C 37.736 0.300 1 458 44 44 ILE CG1 C 31.194 0.300 1 459 44 44 ILE CG2 C 16.717 0.300 1 460 44 44 ILE CD1 C 15.394 0.300 1 461 44 44 ILE N N 122.174 0.300 1 462 45 45 ASN H H 7.549 0.030 1 463 45 45 ASN HA H 4.542 0.030 1 464 45 45 ASN HB2 H 2.751 0.030 2 465 45 45 ASN HB3 H 2.916 0.030 2 466 45 45 ASN HD21 H 6.753 0.030 2 467 45 45 ASN HD22 H 7.528 0.030 2 468 45 45 ASN C C 174.015 0.300 1 469 45 45 ASN CA C 54.361 0.300 1 470 45 45 ASN CB C 39.086 0.300 1 471 45 45 ASN N N 116.154 0.300 1 472 45 45 ASN ND2 N 112.460 0.300 1 473 46 46 ASP H H 7.390 0.030 1 474 46 46 ASP HA H 4.701 0.030 1 475 46 46 ASP HB2 H 2.701 0.030 2 476 46 46 ASP HB3 H 3.357 0.030 2 477 46 46 ASP C C 175.697 0.300 1 478 46 46 ASP CA C 52.913 0.300 1 479 46 46 ASP CB C 40.652 0.300 1 480 46 46 ASP N N 119.838 0.300 1 481 47 47 ASN H H 8.295 0.030 1 482 47 47 ASN HA H 4.547 0.030 1 483 47 47 ASN HB2 H 2.746 0.030 2 484 47 47 ASN HB3 H 2.892 0.030 2 485 47 47 ASN HD21 H 7.604 0.030 2 486 47 47 ASN HD22 H 6.725 0.030 2 487 47 47 ASN C C 175.843 0.300 1 488 47 47 ASN CA C 54.359 0.300 1 489 47 47 ASN CB C 38.986 0.300 1 490 47 47 ASN N N 121.275 0.300 1 491 47 47 ASN ND2 N 112.737 0.300 1 492 48 48 ASN H H 8.496 0.030 1 493 48 48 ASN HA H 4.758 0.030 1 494 48 48 ASN HB2 H 2.873 0.030 2 495 48 48 ASN HB3 H 2.921 0.030 2 496 48 48 ASN HD21 H 7.760 0.030 2 497 48 48 ASN HD22 H 6.983 0.030 2 498 48 48 ASN C C 174.779 0.300 1 499 48 48 ASN CA C 53.907 0.300 1 500 48 48 ASN CB C 39.767 0.300 1 501 48 48 ASN N N 115.885 0.300 1 502 48 48 ASN ND2 N 114.193 0.300 1 503 49 49 ASN H H 7.326 0.030 1 504 49 49 ASN HA H 5.069 0.030 1 505 49 49 ASN HB2 H 2.663 0.030 2 506 49 49 ASN HB3 H 2.803 0.030 2 507 49 49 ASN HD21 H 8.720 0.030 2 508 49 49 ASN HD22 H 6.972 0.030 2 509 49 49 ASN C C 174.007 0.300 1 510 49 49 ASN CA C 53.406 0.300 1 511 49 49 ASN CB C 42.111 0.300 1 512 49 49 ASN N N 116.963 0.300 1 513 49 49 ASN ND2 N 116.603 0.300 1 514 50 50 GLN HA H 4.362 0.030 1 515 50 50 GLN HB2 H 2.113 0.030 2 516 50 50 GLN HB3 H 2.353 0.030 2 517 50 50 GLN HG2 H 2.449 0.030 2 518 50 50 GLN HG3 H 2.401 0.030 2 519 50 50 GLN HE21 H 7.416 0.030 2 520 50 50 GLN HE22 H 6.777 0.030 2 521 50 50 GLN C C 174.800 0.300 1 522 50 50 GLN CA C 56.338 0.300 1 523 50 50 GLN CB C 30.361 0.300 1 524 50 50 GLN CG C 33.608 0.300 1 525 50 50 GLN NE2 N 112.645 0.300 1 526 51 51 PHE H H 7.926 0.030 1 527 51 51 PHE HA H 5.713 0.030 1 528 51 51 PHE HB2 H 3.031 0.030 2 529 51 51 PHE HB3 H 3.089 0.030 2 530 51 51 PHE HD1 H 7.191 0.030 1 531 51 51 PHE HD2 H 7.191 0.030 1 532 51 51 PHE HE1 H 6.958 0.030 1 533 51 51 PHE HE2 H 6.958 0.030 1 534 51 51 PHE C C 174.194 0.300 1 535 51 51 PHE CA C 56.173 0.300 1 536 51 51 PHE CB C 43.112 0.300 1 537 51 51 PHE CD1 C 132.235 0.300 1 538 51 51 PHE CD2 C 132.235 0.300 1 539 51 51 PHE CE1 C 129.610 0.300 1 540 51 51 PHE CE2 C 129.610 0.300 1 541 51 51 PHE N N 116.334 0.300 1 542 52 52 LYS H H 8.669 0.030 1 543 52 52 LYS HA H 4.144 0.030 1 544 52 52 LYS HB2 H 0.364 0.030 2 545 52 52 LYS HB3 H 0.532 0.030 2 546 52 52 LYS HG2 H 0.118 0.030 2 547 52 52 LYS HG3 H 0.832 0.030 2 548 52 52 LYS HD2 H 0.701 0.030 2 549 52 52 LYS HD3 H 1.032 0.030 2 550 52 52 LYS HE2 H 1.829 0.030 2 551 52 52 LYS HE3 H 2.413 0.030 2 552 52 52 LYS C C 173.011 0.300 1 553 52 52 LYS CA C 55.925 0.300 1 554 52 52 LYS CB C 34.704 0.300 1 555 52 52 LYS CG C 24.736 0.300 1 556 52 52 LYS CD C 29.580 0.300 1 557 52 52 LYS CE C 41.984 0.300 1 558 52 52 LYS N N 121.545 0.300 1 559 53 53 LYS H H 8.813 0.030 1 560 53 53 LYS HA H 4.904 0.030 1 561 53 53 LYS HB2 H 1.613 0.030 2 562 53 53 LYS HB3 H 1.855 0.030 2 563 53 53 LYS HG2 H 1.515 0.030 2 564 53 53 LYS HG3 H 1.283 0.030 2 565 53 53 LYS HD2 H 1.769 0.030 1 566 53 53 LYS HD3 H 1.769 0.030 1 567 53 53 LYS HE2 H 2.955 0.030 1 568 53 53 LYS HE3 H 2.955 0.030 1 569 53 53 LYS C C 175.855 0.300 1 570 53 53 LYS CA C 55.413 0.300 1 571 53 53 LYS CB C 33.735 0.300 1 572 53 53 LYS CG C 25.111 0.300 1 573 53 53 LYS CD C 29.299 0.300 1 574 53 53 LYS CE C 41.984 0.300 1 575 53 53 LYS N N 129.002 0.300 1 576 54 54 PHE H H 8.674 0.030 1 577 54 54 PHE HA H 4.466 0.030 1 578 54 54 PHE HB2 H 2.981 0.030 2 579 54 54 PHE HB3 H 3.246 0.030 2 580 54 54 PHE HD1 H 7.285 0.030 1 581 54 54 PHE HD2 H 7.285 0.030 1 582 54 54 PHE HE1 H 7.051 0.030 1 583 54 54 PHE HE2 H 7.051 0.030 1 584 54 54 PHE HZ H 6.702 0.030 1 585 54 54 PHE C C 172.351 0.300 1 586 54 54 PHE CA C 57.921 0.300 1 587 54 54 PHE CB C 39.486 0.300 1 588 54 54 PHE CD1 C 131.735 0.300 1 589 54 54 PHE CD2 C 131.735 0.300 1 590 54 54 PHE CE1 C 131.235 0.300 1 591 54 54 PHE CE2 C 131.235 0.300 1 592 54 54 PHE CZ C 127.485 0.300 1 593 54 54 PHE N N 128.642 0.300 1 594 55 55 PRO HA H 4.542 0.030 1 595 55 55 PRO HB2 H 1.952 0.030 2 596 55 55 PRO HB3 H 2.443 0.030 2 597 55 55 PRO HG2 H 2.051 0.030 1 598 55 55 PRO HG3 H 2.051 0.030 1 599 55 55 PRO HD2 H 3.810 0.030 2 600 55 55 PRO HD3 H 3.746 0.030 2 601 55 55 PRO C C 175.485 0.300 1 602 55 55 PRO CA C 62.123 0.300 1 603 55 55 PRO CB C 32.611 0.300 1 604 55 55 PRO CG C 27.736 0.300 1 605 55 55 PRO CD C 51.070 0.300 1 606 56 56 GLN H H 8.373 0.030 1 607 56 56 GLN HA H 4.235 0.030 1 608 56 56 GLN HB2 H 1.917 0.030 2 609 56 56 GLN HB3 H 2.001 0.030 2 610 56 56 GLN HG2 H 2.654 0.030 2 611 56 56 GLN HG3 H 2.193 0.030 2 612 56 56 GLN HE21 H 7.591 0.030 2 613 56 56 GLN HE22 H 6.962 0.030 2 614 56 56 GLN C C 176.507 0.300 1 615 56 56 GLN CA C 57.461 0.300 1 616 56 56 GLN CB C 28.225 0.300 1 617 56 56 GLN CG C 34.642 0.300 1 618 56 56 GLN N N 118.221 0.300 1 619 56 56 GLN NE2 N 113.231 0.300 1 620 57 57 MET H H 8.415 0.030 1 621 57 57 MET HA H 5.044 0.030 1 622 57 57 MET HB2 H 1.720 0.030 2 623 57 57 MET HB3 H 2.466 0.030 2 624 57 57 MET HG2 H 2.744 0.030 2 625 57 57 MET HG3 H 2.819 0.030 2 626 57 57 MET HE H 2.008 0.030 1 627 57 57 MET CA C 54.610 0.300 1 628 57 57 MET CB C 39.626 0.300 1 629 57 57 MET CG C 32.865 0.300 1 630 57 57 MET CE C 18.070 0.300 1 631 57 57 MET N N 121.904 0.300 1 632 58 58 THR H H 8.825 0.030 1 633 58 58 THR HA H 4.413 0.030 1 634 58 58 THR HB H 4.763 0.030 1 635 58 58 THR HG2 H 1.439 0.030 1 636 58 58 THR CA C 61.597 0.300 1 637 58 58 THR CB C 70.682 0.300 1 638 58 58 THR CG2 C 22.111 0.300 1 639 58 58 THR N N 112.235 0.300 1 640 60 60 TYR HA H 4.322 0.030 1 641 60 60 TYR HB2 H 2.638 0.030 2 642 60 60 TYR HB3 H 3.209 0.030 2 643 60 60 TYR HD1 H 6.979 0.030 1 644 60 60 TYR HD2 H 6.979 0.030 1 645 60 60 TYR HE1 H 6.987 0.030 1 646 60 60 TYR HE2 H 6.987 0.030 1 647 60 60 TYR C C 176.778 0.300 1 648 60 60 TYR CA C 61.715 0.300 1 649 60 60 TYR CB C 38.861 0.300 1 650 60 60 TYR CD1 C 132.860 0.300 1 651 60 60 TYR CD2 C 132.860 0.300 1 652 60 60 TYR CE1 C 118.236 0.300 1 653 60 60 TYR CE2 C 118.236 0.300 1 654 61 61 HIS H H 7.527 0.030 1 655 61 61 HIS HA H 4.248 0.030 1 656 61 61 HIS HB2 H 3.257 0.030 1 657 61 61 HIS HB3 H 3.257 0.030 1 658 61 61 HIS HD2 H 6.810 0.030 1 659 61 61 HIS HE1 H 7.863 0.030 1 660 61 61 HIS C C 177.729 0.300 1 661 61 61 HIS CA C 58.425 0.300 1 662 61 61 HIS CB C 31.303 0.300 1 663 61 61 HIS CD2 C 115.486 0.300 1 664 61 61 HIS CE1 C 138.860 0.300 1 665 61 61 HIS N N 118.670 0.300 1 666 62 62 ARG H H 8.793 0.030 1 667 62 62 ARG HA H 3.687 0.030 1 668 62 62 ARG HB2 H 1.085 0.030 2 669 62 62 ARG HB3 H 1.956 0.030 2 670 62 62 ARG HG2 H 1.456 0.030 2 671 62 62 ARG HG3 H 1.972 0.030 2 672 62 62 ARG HD2 H 3.291 0.030 2 673 62 62 ARG HD3 H 2.790 0.030 2 674 62 62 ARG C C 176.874 0.300 1 675 62 62 ARG CA C 60.861 0.300 1 676 62 62 ARG CB C 29.986 0.300 1 677 62 62 ARG CG C 27.299 0.300 1 678 62 62 ARG CD C 42.788 0.300 1 679 62 62 ARG N N 116.693 0.300 1 680 63 63 MET H H 7.778 0.030 1 681 63 63 MET HA H 4.056 0.030 1 682 63 63 MET HB2 H 2.132 0.030 2 683 63 63 MET HB3 H 2.472 0.030 2 684 63 63 MET HG2 H 2.290 0.030 2 685 63 63 MET HG3 H 2.684 0.030 2 686 63 63 MET HE H 1.884 0.030 1 687 63 63 MET C C 178.267 0.300 1 688 63 63 MET CA C 59.751 0.300 1 689 63 63 MET CB C 29.893 0.300 1 690 63 63 MET CG C 31.736 0.300 1 691 63 63 MET CE C 17.090 0.300 1 692 63 63 MET N N 119.389 0.300 1 693 64 64 LEU H H 7.629 0.030 1 694 64 64 LEU HA H 3.833 0.030 1 695 64 64 LEU HB2 H 1.112 0.030 2 696 64 64 LEU HB3 H 2.021 0.030 2 697 64 64 LEU HG H 1.597 0.030 1 698 64 64 LEU HD1 H 0.811 0.030 1 699 64 64 LEU HD2 H 0.817 0.030 1 700 64 64 LEU C C 178.510 0.300 1 701 64 64 LEU CA C 58.335 0.300 1 702 64 64 LEU CB C 41.235 0.300 1 703 64 64 LEU CG C 25.850 0.300 1 704 64 64 LEU CD1 C 25.824 0.300 2 705 64 64 LEU CD2 C 21.736 0.300 2 706 64 64 LEU N N 117.592 0.300 1 707 65 65 LEU H H 7.938 0.030 1 708 65 65 LEU HA H 3.847 0.030 1 709 65 65 LEU HB2 H 1.140 0.030 2 710 65 65 LEU HB3 H 1.757 0.030 2 711 65 65 LEU HG H 0.974 0.030 1 712 65 65 LEU HD1 H 0.121 0.030 1 713 65 65 LEU HD2 H 0.301 0.030 1 714 65 65 LEU C C 177.863 0.300 1 715 65 65 LEU CA C 58.356 0.300 1 716 65 65 LEU CB C 40.678 0.300 1 717 65 65 LEU CG C 27.635 0.300 1 718 65 65 LEU CD1 C 27.007 0.300 2 719 65 65 LEU CD2 C 22.111 0.300 2 720 65 65 LEU N N 120.017 0.300 1 721 66 66 HIS H H 9.217 0.030 1 722 66 66 HIS HA H 3.699 0.030 1 723 66 66 HIS HB2 H 2.890 0.030 2 724 66 66 HIS HB3 H 3.356 0.030 2 725 66 66 HIS HD2 H 6.626 0.030 1 726 66 66 HIS HE1 H 8.195 0.030 1 727 66 66 HIS C C 178.460 0.300 1 728 66 66 HIS CA C 60.895 0.300 1 729 66 66 HIS CB C 30.111 0.300 1 730 66 66 HIS CD2 C 122.485 0.300 1 731 66 66 HIS CE1 C 136.765 0.300 1 732 66 66 HIS N N 119.389 0.300 1 733 67 67 ARG H H 7.793 0.030 1 734 67 67 ARG HA H 4.091 0.030 1 735 67 67 ARG HB2 H 1.590 0.030 2 736 67 67 ARG HB3 H 2.151 0.030 2 737 67 67 ARG HG2 H 1.650 0.030 1 738 67 67 ARG HG3 H 1.650 0.030 1 739 67 67 ARG HD2 H 2.601 0.030 2 740 67 67 ARG HD3 H 2.485 0.030 2 741 67 67 ARG HE H 7.119 0.030 1 742 67 67 ARG C C 178.032 0.300 1 743 67 67 ARG CA C 59.361 0.300 1 744 67 67 ARG CB C 29.486 0.300 1 745 67 67 ARG CG C 28.111 0.300 1 746 67 67 ARG CD C 43.361 0.300 1 747 67 67 ARG N N 117.068 0.300 1 748 68 68 VAL H H 8.843 0.030 1 749 68 68 VAL HA H 3.817 0.030 1 750 68 68 VAL HB H 2.100 0.030 1 751 68 68 VAL HG1 H 1.166 0.030 1 752 68 68 VAL HG2 H 1.270 0.030 1 753 68 68 VAL C C 177.910 0.300 1 754 68 68 VAL CA C 67.527 0.300 1 755 68 68 VAL CB C 32.098 0.300 1 756 68 68 VAL CG1 C 23.247 0.300 2 757 68 68 VAL CG2 C 25.111 0.300 2 758 68 68 VAL N N 120.131 0.300 1 759 69 69 ALA H H 9.199 0.030 1 760 69 69 ALA HA H 3.947 0.030 1 761 69 69 ALA HB H 1.275 0.030 1 762 69 69 ALA C C 179.877 0.300 1 763 69 69 ALA CA C 56.090 0.300 1 764 69 69 ALA CB C 17.932 0.300 1 765 69 69 ALA N N 120.736 0.300 1 766 70 70 ALA H H 7.848 0.030 1 767 70 70 ALA HA H 4.454 0.030 1 768 70 70 ALA HB H 1.701 0.030 1 769 70 70 ALA C C 181.714 0.300 1 770 70 70 ALA CA C 55.263 0.300 1 771 70 70 ALA CB C 18.861 0.300 1 772 70 70 ALA N N 119.617 0.300 1 773 71 71 TYR H H 8.540 0.030 1 774 71 71 TYR HA H 4.418 0.030 1 775 71 71 TYR HB2 H 3.373 0.030 2 776 71 71 TYR HB3 H 3.691 0.030 2 777 71 71 TYR HD1 H 7.071 0.030 1 778 71 71 TYR HD2 H 7.071 0.030 1 779 71 71 TYR HE1 H 7.034 0.030 1 780 71 71 TYR HE2 H 7.034 0.030 1 781 71 71 TYR C C 176.659 0.300 1 782 71 71 TYR CA C 61.015 0.300 1 783 71 71 TYR CB C 39.486 0.300 1 784 71 71 TYR CD1 C 133.110 0.300 1 785 71 71 TYR CD2 C 133.110 0.300 1 786 71 71 TYR CE1 C 118.986 0.300 1 787 71 71 TYR CE2 C 118.986 0.300 1 788 71 71 TYR N N 124.081 0.300 1 789 72 72 PHE H H 7.952 0.030 1 790 72 72 PHE HA H 4.448 0.030 1 791 72 72 PHE HB2 H 3.122 0.030 2 792 72 72 PHE HB3 H 3.661 0.030 2 793 72 72 PHE HD1 H 7.850 0.030 1 794 72 72 PHE HD2 H 7.850 0.030 1 795 72 72 PHE HE1 H 7.192 0.030 1 796 72 72 PHE HE2 H 7.192 0.030 1 797 72 72 PHE C C 175.324 0.300 1 798 72 72 PHE CA C 58.998 0.300 1 799 72 72 PHE CB C 40.708 0.300 1 800 72 72 PHE CD1 C 133.110 0.300 1 801 72 72 PHE CD2 C 133.110 0.300 1 802 72 72 PHE CE1 C 130.360 0.300 1 803 72 72 PHE CE2 C 130.360 0.300 1 804 72 72 PHE N N 116.064 0.300 1 805 73 73 GLY H H 8.246 0.030 1 806 73 73 GLY HA2 H 3.883 0.030 2 807 73 73 GLY HA3 H 4.111 0.030 2 808 73 73 GLY C C 175.193 0.300 1 809 73 73 GLY CA C 47.291 0.300 1 810 73 73 GLY N N 108.877 0.300 1 811 74 74 MET H H 8.309 0.030 1 812 74 74 MET HA H 4.789 0.030 1 813 74 74 MET HB2 H 1.968 0.030 2 814 74 74 MET HB3 H 2.362 0.030 2 815 74 74 MET HG2 H 2.661 0.030 2 816 74 74 MET HG3 H 2.772 0.030 2 817 74 74 MET HE H 2.109 0.030 1 818 74 74 MET C C 177.142 0.300 1 819 74 74 MET CA C 54.550 0.300 1 820 74 74 MET CB C 34.111 0.300 1 821 74 74 MET CG C 34.236 0.300 1 822 74 74 MET CE C 20.111 0.300 1 823 74 74 MET N N 118.191 0.300 1 824 75 75 ASP H H 8.125 0.030 1 825 75 75 ASP HA H 5.048 0.030 1 826 75 75 ASP HB2 H 2.571 0.030 2 827 75 75 ASP HB3 H 2.695 0.030 2 828 75 75 ASP C C 176.234 0.300 1 829 75 75 ASP CA C 54.227 0.300 1 830 75 75 ASP CB C 41.609 0.300 1 831 75 75 ASP N N 121.904 0.300 1 832 76 76 HIS H H 8.396 0.030 1 833 76 76 HIS HA H 5.455 0.030 1 834 76 76 HIS HB2 H 2.778 0.030 2 835 76 76 HIS HB3 H 2.919 0.030 2 836 76 76 HIS HD2 H 7.482 0.030 1 837 76 76 HIS HE1 H 7.449 0.030 1 838 76 76 HIS C C 172.606 0.300 1 839 76 76 HIS CA C 53.361 0.300 1 840 76 76 HIS CB C 30.611 0.300 1 841 76 76 HIS CD2 C 120.860 0.300 1 842 76 76 HIS CE1 C 136.610 0.300 1 843 76 76 HIS N N 116.334 0.300 1 844 77 77 ASN H H 8.730 0.030 1 845 77 77 ASN HA H 5.148 0.030 1 846 77 77 ASN HB2 H 2.580 0.030 2 847 77 77 ASN HB3 H 2.767 0.030 2 848 77 77 ASN HD21 H 7.853 0.030 2 849 77 77 ASN HD22 H 6.983 0.030 2 850 77 77 ASN C C 173.885 0.300 1 851 77 77 ASN CA C 52.311 0.300 1 852 77 77 ASN CB C 43.382 0.300 1 853 77 77 ASN N N 120.377 0.300 1 854 77 77 ASN ND2 N 115.296 0.300 1 855 78 78 VAL H H 8.820 0.030 1 856 78 78 VAL HA H 5.081 0.030 1 857 78 78 VAL HB H 2.166 0.030 1 858 78 78 VAL HG1 H 1.156 0.030 1 859 78 78 VAL HG2 H 1.149 0.030 1 860 78 78 VAL C C 175.862 0.300 1 861 78 78 VAL CA C 61.436 0.300 1 862 78 78 VAL CB C 33.527 0.300 1 863 78 78 VAL CG1 C 20.728 0.300 2 864 78 78 VAL CG2 C 21.734 0.300 2 865 78 78 VAL N N 118.670 0.300 1 866 79 79 ASP H H 8.738 0.030 1 867 79 79 ASP HA H 4.611 0.030 1 868 79 79 ASP HB2 H 2.496 0.030 2 869 79 79 ASP HB3 H 3.365 0.030 2 870 79 79 ASP C C 177.290 0.300 1 871 79 79 ASP CA C 52.864 0.300 1 872 79 79 ASP CB C 41.489 0.300 1 873 79 79 ASP N N 124.420 0.300 1 874 80 80 GLN H H 7.887 0.030 1 875 80 80 GLN HA H 4.154 0.030 1 876 80 80 GLN HB2 H 2.180 0.030 1 877 80 80 GLN HB3 H 2.180 0.030 1 878 80 80 GLN HG2 H 2.489 0.030 1 879 80 80 GLN HG3 H 2.489 0.030 1 880 80 80 GLN HE21 H 7.568 0.030 2 881 80 80 GLN HE22 H 7.054 0.030 2 882 80 80 GLN C C 177.463 0.300 1 883 80 80 GLN CA C 58.628 0.300 1 884 80 80 GLN CB C 28.361 0.300 1 885 80 80 GLN CG C 33.803 0.300 1 886 80 80 GLN NE2 N 111.572 0.300 1 887 81 81 THR H H 7.861 0.030 1 888 81 81 THR HA H 4.358 0.030 1 889 81 81 THR HB H 4.325 0.030 1 890 81 81 THR HG2 H 1.309 0.030 1 891 81 81 THR C C 176.505 0.300 1 892 81 81 THR CA C 63.278 0.300 1 893 81 81 THR CB C 71.055 0.300 1 894 81 81 THR CG2 C 21.600 0.300 1 895 81 81 THR N N 108.697 0.300 1 896 82 82 GLY H H 7.887 0.030 1 897 82 82 GLY HA2 H 3.694 0.030 2 898 82 82 GLY HA3 H 4.312 0.030 2 899 82 82 GLY C C 174.180 0.300 1 900 82 82 GLY CA C 45.433 0.300 1 901 82 82 GLY N N 109.416 0.300 1 902 83 83 LYS H H 8.107 0.030 1 903 83 83 LYS HA H 4.576 0.030 1 904 83 83 LYS HB2 H 1.612 0.030 2 905 83 83 LYS HB3 H 2.102 0.030 2 906 83 83 LYS HG2 H 1.378 0.030 2 907 83 83 LYS HG3 H 1.333 0.030 2 908 83 83 LYS HD2 H 1.642 0.030 1 909 83 83 LYS HD3 H 1.642 0.030 1 910 83 83 LYS HE2 H 3.020 0.030 1 911 83 83 LYS HE3 H 3.020 0.030 1 912 83 83 LYS C C 174.068 0.300 1 913 83 83 LYS CA C 56.347 0.300 1 914 83 83 LYS CB C 34.428 0.300 1 915 83 83 LYS CG C 25.154 0.300 1 916 83 83 LYS CD C 29.208 0.300 1 917 83 83 LYS CE C 42.408 0.300 1 918 83 83 LYS N N 116.660 0.300 1 919 84 84 ALA H H 7.595 0.030 1 920 84 84 ALA HA H 4.930 0.030 1 921 84 84 ALA HB H 1.269 0.030 1 922 84 84 ALA C C 175.162 0.300 1 923 84 84 ALA CA C 49.965 0.300 1 924 84 84 ALA CB C 22.740 0.300 1 925 84 84 ALA N N 121.455 0.300 1 926 85 85 VAL H H 8.418 0.030 1 927 85 85 VAL HA H 4.466 0.030 1 928 85 85 VAL HB H 1.747 0.030 1 929 85 85 VAL HG1 H 0.510 0.030 1 930 85 85 VAL HG2 H 0.599 0.030 1 931 85 85 VAL C C 174.254 0.300 1 932 85 85 VAL CA C 61.527 0.300 1 933 85 85 VAL CB C 33.611 0.300 1 934 85 85 VAL CG1 C 21.788 0.300 2 935 85 85 VAL CG2 C 21.736 0.300 2 936 85 85 VAL N N 120.467 0.300 1 937 86 86 ILE H H 9.005 0.030 1 938 86 86 ILE HA H 5.039 0.030 1 939 86 86 ILE HB H 1.709 0.030 1 940 86 86 ILE HG12 H 1.640 0.030 2 941 86 86 ILE HG13 H 0.933 0.030 2 942 86 86 ILE HG2 H 0.969 0.030 1 943 86 86 ILE HD1 H 0.917 0.030 1 944 86 86 ILE C C 177.202 0.300 1 945 86 86 ILE CA C 60.022 0.300 1 946 86 86 ILE CB C 40.588 0.300 1 947 86 86 ILE CG1 C 28.236 0.300 1 948 86 86 ILE CG2 C 18.089 0.300 1 949 86 86 ILE CD1 C 14.224 0.300 1 950 86 86 ILE N N 125.498 0.300 1 951 87 87 ILE H H 9.196 0.030 1 952 87 87 ILE HA H 5.709 0.030 1 953 87 87 ILE HB H 2.089 0.030 1 954 87 87 ILE HG12 H 1.333 0.030 2 955 87 87 ILE HG13 H 1.432 0.030 2 956 87 87 ILE HG2 H 0.896 0.030 1 957 87 87 ILE HD1 H 0.856 0.030 1 958 87 87 ILE C C 174.532 0.300 1 959 87 87 ILE CA C 58.606 0.300 1 960 87 87 ILE CB C 40.408 0.300 1 961 87 87 ILE CG1 C 25.986 0.300 1 962 87 87 ILE CG2 C 18.113 0.300 1 963 87 87 ILE CD1 C 14.861 0.300 1 964 87 87 ILE N N 122.533 0.300 1 965 88 88 ASN H H 8.419 0.030 1 966 88 88 ASN HA H 5.688 0.030 1 967 88 88 ASN HB2 H 2.487 0.030 1 968 88 88 ASN HB3 H 2.487 0.030 1 969 88 88 ASN HD21 H 7.144 0.030 2 970 88 88 ASN HD22 H 7.291 0.030 2 971 88 88 ASN C C 174.135 0.300 1 972 88 88 ASN CA C 53.064 0.300 1 973 88 88 ASN CB C 43.236 0.300 1 974 88 88 ASN N N 115.975 0.300 1 975 88 88 ASN ND2 N 114.160 0.300 1 976 89 89 LYS H H 8.131 0.030 1 977 89 89 LYS HA H 4.493 0.030 1 978 89 89 LYS HB2 H 1.709 0.030 2 979 89 89 LYS HB3 H 2.143 0.030 2 980 89 89 LYS HG2 H 1.301 0.030 2 981 89 89 LYS HG3 H 1.178 0.030 2 982 89 89 LYS HD2 H 1.454 0.030 2 983 89 89 LYS HD3 H 1.567 0.030 2 984 89 89 LYS HE2 H 1.178 0.030 2 985 89 89 LYS HE3 H 2.028 0.030 2 986 89 89 LYS C C 176.276 0.300 1 987 89 89 LYS CA C 57.611 0.300 1 988 89 89 LYS CB C 33.861 0.300 1 989 89 89 LYS CG C 27.363 0.300 1 990 89 89 LYS CD C 29.705 0.300 1 991 89 89 LYS CE C 41.986 0.300 1 992 89 89 LYS N N 121.455 0.300 1 993 90 90 THR H H 9.059 0.030 1 994 90 90 THR HA H 4.971 0.030 1 995 90 90 THR HB H 4.673 0.030 1 996 90 90 THR HG2 H 1.266 0.030 1 997 90 90 THR C C 176.610 0.300 1 998 90 90 THR CA C 60.293 0.300 1 999 90 90 THR CB C 73.880 0.300 1 1000 90 90 THR CG2 C 21.734 0.300 1 1001 90 90 THR N N 111.213 0.300 1 1002 91 91 SER HA H 4.410 0.030 1 1003 91 91 SER HB2 H 3.996 0.030 2 1004 91 91 SER HB3 H 4.056 0.030 2 1005 91 91 SER C C 174.633 0.300 1 1006 91 91 SER CA C 60.736 0.300 1 1007 91 91 SER CB C 62.823 0.300 1 1008 92 92 ASN H H 8.353 0.030 1 1009 92 92 ASN HA H 4.914 0.030 1 1010 92 92 ASN HB2 H 2.613 0.030 2 1011 92 92 ASN HB3 H 2.960 0.030 2 1012 92 92 ASN HD21 H 7.637 0.030 2 1013 92 92 ASN HD22 H 6.993 0.030 2 1014 92 92 ASN C C 174.766 0.300 1 1015 92 92 ASN CA C 52.766 0.300 1 1016 92 92 ASN CB C 39.683 0.300 1 1017 92 92 ASN N N 117.682 0.300 1 1018 92 92 ASN ND2 N 114.356 0.300 1 1019 93 93 THR H H 7.654 0.030 1 1020 93 93 THR HA H 4.805 0.030 1 1021 93 93 THR HB H 4.248 0.030 1 1022 93 93 THR HG2 H 1.380 0.030 1 1023 93 93 THR C C 173.964 0.300 1 1024 93 93 THR CA C 65.079 0.300 1 1025 93 93 THR CB C 69.824 0.300 1 1026 93 93 THR CG2 C 23.389 0.300 1 1027 93 93 THR N N 120.300 0.300 1 1028 94 94 ARG H H 8.433 0.030 1 1029 94 94 ARG HA H 4.654 0.030 1 1030 94 94 ARG HB2 H 1.618 0.030 2 1031 94 94 ARG HB3 H 1.702 0.030 2 1032 94 94 ARG HG2 H 1.409 0.030 2 1033 94 94 ARG HG3 H 1.255 0.030 2 1034 94 94 ARG HD2 H 3.008 0.030 2 1035 94 94 ARG HD3 H 3.120 0.030 2 1036 94 94 ARG C C 173.216 0.300 1 1037 94 94 ARG CA C 54.486 0.300 1 1038 94 94 ARG CB C 32.850 0.300 1 1039 94 94 ARG CG C 26.278 0.300 1 1040 94 94 ARG CD C 43.459 0.300 1 1041 94 94 ARG N N 127.205 0.300 1 1042 95 95 ILE H H 8.469 0.030 1 1043 95 95 ILE HA H 4.248 0.030 1 1044 95 95 ILE HB H 1.755 0.030 1 1045 95 95 ILE HG12 H 1.041 0.030 2 1046 95 95 ILE HG13 H 1.788 0.030 2 1047 95 95 ILE HG2 H 0.980 0.030 1 1048 95 95 ILE HD1 H 0.958 0.030 1 1049 95 95 ILE C C 174.796 0.300 1 1050 95 95 ILE CA C 59.427 0.300 1 1051 95 95 ILE CB C 38.725 0.300 1 1052 95 95 ILE CG1 C 28.975 0.300 1 1053 95 95 ILE CG2 C 17.475 0.300 1 1054 95 95 ILE CD1 C 13.286 0.300 1 1055 95 95 ILE N N 122.174 0.300 1 1056 96 96 PRO HA H 4.092 0.030 1 1057 96 96 PRO HB2 H 1.552 0.030 2 1058 96 96 PRO HB3 H 2.031 0.030 2 1059 96 96 PRO HG2 H 0.868 0.030 2 1060 96 96 PRO HG3 H 1.113 0.030 2 1061 96 96 PRO HD2 H 2.768 0.030 2 1062 96 96 PRO HD3 H 3.435 0.030 2 1063 96 96 PRO C C 176.173 0.300 1 1064 96 96 PRO CA C 62.559 0.300 1 1065 96 96 PRO CB C 32.204 0.300 1 1066 96 96 PRO CG C 27.695 0.300 1 1067 96 96 PRO CD C 51.986 0.300 1 1068 97 97 GLU H H 8.711 0.030 1 1069 97 97 GLU HA H 3.942 0.030 1 1070 97 97 GLU HB2 H 2.028 0.030 1 1071 97 97 GLU HB3 H 2.028 0.030 1 1072 97 97 GLU HG2 H 2.343 0.030 1 1073 97 97 GLU HG3 H 2.343 0.030 1 1074 97 97 GLU C C 177.011 0.300 1 1075 97 97 GLU CA C 59.736 0.300 1 1076 97 97 GLU CB C 30.222 0.300 1 1077 97 97 GLU CG C 36.802 0.300 1 1078 97 97 GLU N N 121.545 0.300 1 1079 98 98 GLN H H 8.142 0.030 1 1080 98 98 GLN HA H 4.713 0.030 1 1081 98 98 GLN HB2 H 1.744 0.030 2 1082 98 98 GLN HB3 H 2.260 0.030 2 1083 98 98 GLN HG2 H 2.378 0.030 2 1084 98 98 GLN HG3 H 2.231 0.030 2 1085 98 98 GLN HE21 H 7.642 0.030 2 1086 98 98 GLN HE22 H 6.962 0.030 2 1087 98 98 GLN C C 176.822 0.300 1 1088 98 98 GLN CA C 54.894 0.300 1 1089 98 98 GLN CB C 31.559 0.300 1 1090 98 98 GLN CG C 34.788 0.300 1 1091 98 98 GLN N N 114.268 0.300 1 1092 98 98 GLN NE2 N 112.382 0.300 1 1093 99 99 ARG H H 8.764 0.030 1 1094 99 99 ARG HA H 4.623 0.030 1 1095 99 99 ARG HB2 H 1.927 0.030 2 1096 99 99 ARG HB3 H 2.543 0.030 2 1097 99 99 ARG HG2 H 1.667 0.030 2 1098 99 99 ARG HG3 H 1.928 0.030 2 1099 99 99 ARG HD2 H 3.187 0.030 2 1100 99 99 ARG HD3 H 3.421 0.030 2 1101 99 99 ARG HE H 7.289 0.030 1 1102 99 99 ARG C C 178.123 0.300 1 1103 99 99 ARG CA C 54.992 0.300 1 1104 99 99 ARG CB C 32.089 0.300 1 1105 99 99 ARG CG C 24.885 0.300 1 1106 99 99 ARG CD C 44.263 0.300 1 1107 99 99 ARG N N 124.959 0.300 1 1108 100 100 PHE H H 10.148 0.030 1 1109 100 100 PHE HA H 4.623 0.030 1 1110 100 100 PHE HB2 H 3.109 0.030 2 1111 100 100 PHE HB3 H 3.519 0.030 2 1112 100 100 PHE HD1 H 7.167 0.030 1 1113 100 100 PHE HD2 H 7.167 0.030 1 1114 100 100 PHE HE1 H 7.387 0.030 1 1115 100 100 PHE HE2 H 7.387 0.030 1 1116 100 100 PHE HZ H 7.242 0.030 1 1117 100 100 PHE C C 178.605 0.300 1 1118 100 100 PHE CA C 56.889 0.300 1 1119 100 100 PHE CB C 37.152 0.300 1 1120 100 100 PHE CD1 C 129.985 0.300 1 1121 100 100 PHE CD2 C 129.985 0.300 1 1122 100 100 PHE CE1 C 131.360 0.300 1 1123 100 100 PHE CE2 C 131.360 0.300 1 1124 100 100 PHE CZ C 128.235 0.300 1 1125 100 100 PHE N N 122.264 0.300 1 1126 101 101 SER H H 9.177 0.030 1 1127 101 101 SER HA H 3.981 0.030 1 1128 101 101 SER HB2 H 3.929 0.030 1 1129 101 101 SER HB3 H 3.929 0.030 1 1130 101 101 SER C C 176.298 0.300 1 1131 101 101 SER CA C 61.281 0.300 1 1132 101 101 SER CB C 62.361 0.300 1 1133 101 101 SER N N 112.122 0.300 1 1134 102 102 GLU H H 7.664 0.030 1 1135 102 102 GLU HA H 3.969 0.030 1 1136 102 102 GLU HB2 H 1.692 0.030 2 1137 102 102 GLU HB3 H 1.913 0.030 2 1138 102 102 GLU HG2 H 2.249 0.030 1 1139 102 102 GLU HG3 H 2.249 0.030 1 1140 102 102 GLU C C 177.978 0.300 1 1141 102 102 GLU CA C 58.365 0.300 1 1142 102 102 GLU CB C 29.361 0.300 1 1143 102 102 GLU CG C 37.369 0.300 1 1144 102 102 GLU N N 120.287 0.300 1 1145 103 103 HIS H H 7.302 0.030 1 1146 103 103 HIS HA H 4.664 0.030 1 1147 103 103 HIS HB2 H 2.937 0.030 2 1148 103 103 HIS HB3 H 3.165 0.030 2 1149 103 103 HIS HD2 H 6.938 0.030 1 1150 103 103 HIS HE1 H 7.794 0.030 1 1151 103 103 HIS C C 175.642 0.300 1 1152 103 103 HIS CA C 56.616 0.300 1 1153 103 103 HIS CB C 31.736 0.300 1 1154 103 103 HIS CD2 C 119.486 0.300 1 1155 103 103 HIS CE1 C 137.985 0.300 1 1156 103 103 HIS N N 114.782 0.300 1 1157 104 104 ILE H H 7.055 0.030 1 1158 104 104 ILE HA H 4.351 0.030 1 1159 104 104 ILE HB H 2.066 0.030 1 1160 104 104 ILE HG12 H 1.047 0.030 2 1161 104 104 ILE HG13 H 1.498 0.030 2 1162 104 104 ILE HG2 H 0.788 0.030 1 1163 104 104 ILE HD1 H 0.882 0.030 1 1164 104 104 ILE C C 175.609 0.300 1 1165 104 104 ILE CA C 60.895 0.300 1 1166 104 104 ILE CB C 38.485 0.300 1 1167 104 104 ILE CG1 C 26.736 0.300 1 1168 104 104 ILE CG2 C 18.579 0.300 1 1169 104 104 ILE CD1 C 14.306 0.300 1 1170 104 104 ILE N N 112.111 0.300 1 1171 105 105 LYS H H 7.680 0.030 1 1172 105 105 LYS HA H 4.292 0.030 1 1173 105 105 LYS HB2 H 1.823 0.030 2 1174 105 105 LYS HB3 H 1.864 0.030 2 1175 105 105 LYS HG2 H 1.421 0.030 2 1176 105 105 LYS HG3 H 1.456 0.030 2 1177 105 105 LYS HD2 H 1.700 0.030 1 1178 105 105 LYS HD3 H 1.700 0.030 1 1179 105 105 LYS HE2 H 3.014 0.030 1 1180 105 105 LYS HE3 H 3.014 0.030 1 1181 105 105 LYS C C 176.240 0.300 1 1182 105 105 LYS CA C 57.111 0.300 1 1183 105 105 LYS CB C 32.926 0.300 1 1184 105 105 LYS CG C 24.684 0.300 1 1185 105 105 LYS CD C 29.177 0.300 1 1186 105 105 LYS CE C 42.252 0.300 1 1187 105 105 LYS N N 122.892 0.300 1 1188 106 106 ASP H H 8.434 0.030 1 1189 106 106 ASP HA H 4.644 0.030 1 1190 106 106 ASP HB2 H 2.629 0.030 2 1191 106 106 ASP HB3 H 2.770 0.030 2 1192 106 106 ASP C C 176.341 0.300 1 1193 106 106 ASP CA C 54.480 0.300 1 1194 106 106 ASP CB C 41.189 0.300 1 1195 106 106 ASP N N 120.916 0.300 1 1196 107 107 GLU H H 8.275 0.030 1 1197 107 107 GLU HA H 4.282 0.030 1 1198 107 107 GLU HB2 H 1.958 0.030 2 1199 107 107 GLU HB3 H 2.104 0.030 2 1200 107 107 GLU HG2 H 2.269 0.030 1 1201 107 107 GLU HG3 H 2.269 0.030 1 1202 107 107 GLU C C 176.724 0.300 1 1203 107 107 GLU CA C 56.889 0.300 1 1204 107 107 GLU CB C 30.071 0.300 1 1205 107 107 GLU CG C 36.376 0.300 1 1206 107 107 GLU N N 121.635 0.300 1 1207 108 108 LYS H H 8.403 0.030 1 1208 108 108 LYS HA H 4.316 0.030 1 1209 108 108 LYS HB2 H 1.812 0.030 2 1210 108 108 LYS HB3 H 1.871 0.030 2 1211 108 108 LYS HG2 H 1.421 0.030 2 1212 108 108 LYS HG3 H 1.474 0.030 2 1213 108 108 LYS HD2 H 1.700 0.030 1 1214 108 108 LYS HD3 H 1.700 0.030 1 1215 108 108 LYS HE2 H 3.021 0.030 1 1216 108 108 LYS HE3 H 3.021 0.030 1 1217 108 108 LYS C C 176.639 0.300 1 1218 108 108 LYS CA C 56.618 0.300 1 1219 108 108 LYS CB C 32.626 0.300 1 1220 108 108 LYS CG C 24.809 0.300 1 1221 108 108 LYS CD C 28.925 0.300 1 1222 108 108 LYS CE C 42.124 0.300 1 1223 108 108 LYS N N 121.275 0.300 1 1224 109 109 ASN H H 8.425 0.030 1 1225 109 109 ASN HA H 4.779 0.030 1 1226 109 109 ASN HB2 H 2.845 0.030 2 1227 109 109 ASN HB3 H 2.914 0.030 2 1228 109 109 ASN HD21 H 7.696 0.030 2 1229 109 109 ASN HD22 H 6.954 0.030 2 1230 109 109 ASN C C 175.762 0.300 1 1231 109 109 ASN CA C 53.606 0.300 1 1232 109 109 ASN CB C 38.815 0.300 1 1233 109 109 ASN N N 119.478 0.300 1 1234 109 109 ASN ND2 N 112.926 0.300 1 1235 110 110 THR H H 8.169 0.030 1 1236 110 110 THR HA H 4.279 0.030 1 1237 110 110 THR HB H 4.278 0.030 1 1238 110 110 THR HG2 H 1.198 0.030 1 1239 110 110 THR C C 174.987 0.300 1 1240 110 110 THR CA C 62.671 0.300 1 1241 110 110 THR CB C 69.583 0.300 1 1242 110 110 THR CG2 C 21.828 0.300 1 1243 110 110 THR N N 114.447 0.300 1 1244 111 111 GLU H H 8.429 0.030 1 1245 111 111 GLU HA H 4.217 0.030 1 1246 111 111 GLU HB2 H 1.937 0.030 1 1247 111 111 GLU HB3 H 1.937 0.030 1 1248 111 111 GLU HG2 H 2.214 0.030 2 1249 111 111 GLU HG3 H 2.133 0.030 2 1250 111 111 GLU C C 176.750 0.300 1 1251 111 111 GLU CA C 57.401 0.300 1 1252 111 111 GLU CB C 29.921 0.300 1 1253 111 111 GLU CG C 36.305 0.300 1 1254 111 111 GLU N N 122.623 0.300 1 1255 112 112 PHE H H 8.179 0.030 1 1256 112 112 PHE HA H 4.555 0.030 1 1257 112 112 PHE HB2 H 3.095 0.030 2 1258 112 112 PHE HB3 H 3.181 0.030 2 1259 112 112 PHE HD1 H 7.278 0.030 1 1260 112 112 PHE HD2 H 7.278 0.030 1 1261 112 112 PHE C C 176.029 0.300 1 1262 112 112 PHE CA C 58.455 0.300 1 1263 112 112 PHE CB C 39.356 0.300 1 1264 112 112 PHE CD1 C 131.735 0.300 1 1265 112 112 PHE CD2 C 131.735 0.300 1 1266 112 112 PHE N N 120.377 0.300 1 1267 113 113 GLN H H 8.127 0.030 1 1268 113 113 GLN HA H 4.233 0.030 1 1269 113 113 GLN HB2 H 1.989 0.030 2 1270 113 113 GLN HB3 H 2.073 0.030 2 1271 113 113 GLN HG2 H 2.363 0.030 1 1272 113 113 GLN HG3 H 2.363 0.030 1 1273 113 113 GLN HE21 H 7.520 0.030 2 1274 113 113 GLN HE22 H 6.887 0.030 2 1275 113 113 GLN C C 176.066 0.300 1 1276 113 113 GLN CA C 56.377 0.300 1 1277 113 113 GLN CB C 29.320 0.300 1 1278 113 113 GLN CG C 33.892 0.300 1 1279 113 113 GLN N N 120.916 0.300 1 1280 113 113 GLN NE2 N 112.234 0.300 1 1281 114 114 GLN H H 8.265 0.030 1 1282 114 114 GLN HA H 4.206 0.030 1 1283 114 114 GLN HB2 H 2.010 0.030 1 1284 114 114 GLN HB3 H 2.010 0.030 1 1285 114 114 GLN HG2 H 2.345 0.030 1 1286 114 114 GLN HG3 H 2.345 0.030 1 1287 114 114 GLN C C 176.008 0.300 1 1288 114 114 GLN CA C 56.498 0.300 1 1289 114 114 GLN CB C 29.110 0.300 1 1290 114 114 GLN CG C 33.963 0.300 1 1291 114 114 GLN N N 120.736 0.300 1 1292 115 115 ARG H H 8.112 0.030 1 1293 115 115 ARG HA H 4.234 0.030 1 1294 115 115 ARG HB2 H 1.684 0.030 1 1295 115 115 ARG HB3 H 1.684 0.030 1 1296 115 115 ARG HG2 H 1.477 0.030 1 1297 115 115 ARG HG3 H 1.477 0.030 1 1298 115 115 ARG HD2 H 3.120 0.030 1 1299 115 115 ARG HD3 H 3.120 0.030 1 1300 115 115 ARG C C 175.981 0.300 1 1301 115 115 ARG CA C 56.498 0.300 1 1302 115 115 ARG CB C 30.763 0.300 1 1303 115 115 ARG CG C 27.098 0.300 1 1304 115 115 ARG CD C 43.473 0.300 1 1305 115 115 ARG N N 121.013 0.300 1 1306 116 116 PHE H H 8.159 0.030 1 1307 116 116 PHE HA H 4.664 0.030 1 1308 116 116 PHE HB2 H 2.972 0.030 2 1309 116 116 PHE HB3 H 3.175 0.030 2 1310 116 116 PHE C C 175.483 0.300 1 1311 116 116 PHE CA C 57.763 0.300 1 1312 116 116 PHE CB C 39.627 0.300 1 1313 116 116 PHE N N 120.557 0.300 1 1314 117 117 ILE H H 7.992 0.030 1 1315 117 117 ILE HA H 4.143 0.030 1 1316 117 117 ILE HB H 1.856 0.030 1 1317 117 117 ILE HG12 H 1.184 0.030 2 1318 117 117 ILE HG13 H 1.480 0.030 2 1319 117 117 ILE HG2 H 0.895 0.030 1 1320 117 117 ILE HD1 H 0.873 0.030 1 1321 117 117 ILE C C 175.888 0.300 1 1322 117 117 ILE CA C 61.166 0.300 1 1323 117 117 ILE CB C 38.725 0.300 1 1324 117 117 ILE CG1 C 27.350 0.300 1 1325 117 117 ILE CG2 C 17.428 0.300 1 1326 117 117 ILE CD1 C 12.815 0.300 1 1327 117 117 ILE N N 122.443 0.300 1 1328 118 118 LEU H H 8.277 0.030 1 1329 118 118 LEU HA H 4.411 0.030 1 1330 118 118 LEU HB2 H 1.656 0.030 1 1331 118 118 LEU HB3 H 1.656 0.030 1 1332 118 118 LEU HG H 1.665 0.030 1 1333 118 118 LEU HD1 H 0.975 0.030 1 1334 118 118 LEU HD2 H 0.918 0.030 1 1335 118 118 LEU C C 177.125 0.300 1 1336 118 118 LEU CA C 55.243 0.300 1 1337 118 118 LEU CB C 42.361 0.300 1 1338 118 118 LEU CG C 27.079 0.300 1 1339 118 118 LEU CD1 C 25.021 0.300 2 1340 118 118 LEU CD2 C 23.685 0.300 2 1341 118 118 LEU N N 126.127 0.300 1 1342 119 119 SER H H 8.227 0.030 1 1343 119 119 SER HA H 4.498 0.030 1 1344 119 119 SER HB2 H 3.884 0.030 1 1345 119 119 SER HB3 H 3.884 0.030 1 1346 119 119 SER C C 174.417 0.300 1 1347 119 119 SER CA C 58.269 0.300 1 1348 119 119 SER CB C 64.115 0.300 1 1349 119 119 SER N N 116.579 0.300 1 1350 120 120 GLY H H 8.215 0.030 1 1351 120 120 GLY C C 171.760 0.300 1 1352 120 120 GLY CA C 44.736 0.300 1 1353 120 120 GLY N N 110.674 0.300 1 1354 121 121 PRO HA H 4.498 0.030 1 1355 121 121 PRO HB2 H 1.989 0.030 2 1356 121 121 PRO HB3 H 2.312 0.030 2 1357 121 121 PRO HG2 H 2.048 0.030 1 1358 121 121 PRO HG3 H 2.048 0.030 1 1359 121 121 PRO HD2 H 3.651 0.030 1 1360 121 121 PRO HD3 H 3.651 0.030 1 1361 121 121 PRO C C 177.412 0.300 1 1362 121 121 PRO CA C 63.360 0.300 1 1363 121 121 PRO CB C 32.115 0.300 1 1364 121 121 PRO CG C 27.150 0.300 1 1365 121 121 PRO CD C 49.859 0.300 1 1366 122 122 SER H H 8.507 0.030 1 1367 122 122 SER C C 174.796 0.300 1 1368 122 122 SER CA C 58.523 0.300 1 1369 122 122 SER CB C 63.844 0.300 1 1370 122 122 SER N N 116.162 0.300 1 stop_ save_