data_11091 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the C-terminal PapD-like domain from human HYDIN protein ; _BMRB_accession_number 11091 _BMRB_flat_file_name bmr11091.str _Entry_type original _Submission_date 2010-01-18 _Accession_date 2010-01-19 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Li H. . . 2 Sato M. . . 3 Koshiba S. . . 4 Watanabe 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" 626 "13C chemical shifts" 484 "15N chemical shifts" 107 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-01-19 original author . stop_ _Original_release_date 2011-01-19 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of the C-terminal PapD-like domain from human HYDIN protein' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Li H. . . 2 Sato M. . . 3 Koshiba S. . . 4 Watanabe 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 'HYDIN protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'PapD 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 'PapD domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 112 _Mol_residue_sequence ; GSSGSSGPKIHFNFELLDIG KVFTGSAHCYEAILYNKGSI DALFNMTPPTSALGACFVFS PKEGIIEPSGVQAIQISFSS IILGNFEEEFLVNVNGSPEP VKLTIRGCVIGP ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 PRO 9 LYS 10 ILE 11 HIS 12 PHE 13 ASN 14 PHE 15 GLU 16 LEU 17 LEU 18 ASP 19 ILE 20 GLY 21 LYS 22 VAL 23 PHE 24 THR 25 GLY 26 SER 27 ALA 28 HIS 29 CYS 30 TYR 31 GLU 32 ALA 33 ILE 34 LEU 35 TYR 36 ASN 37 LYS 38 GLY 39 SER 40 ILE 41 ASP 42 ALA 43 LEU 44 PHE 45 ASN 46 MET 47 THR 48 PRO 49 PRO 50 THR 51 SER 52 ALA 53 LEU 54 GLY 55 ALA 56 CYS 57 PHE 58 VAL 59 PHE 60 SER 61 PRO 62 LYS 63 GLU 64 GLY 65 ILE 66 ILE 67 GLU 68 PRO 69 SER 70 GLY 71 VAL 72 GLN 73 ALA 74 ILE 75 GLN 76 ILE 77 SER 78 PHE 79 SER 80 SER 81 ILE 82 ILE 83 LEU 84 GLY 85 ASN 86 PHE 87 GLU 88 GLU 89 GLU 90 PHE 91 LEU 92 VAL 93 ASN 94 VAL 95 ASN 96 GLY 97 SER 98 PRO 99 GLU 100 PRO 101 VAL 102 LYS 103 LEU 104 THR 105 ILE 106 ARG 107 GLY 108 CYS 109 VAL 110 ILE 111 GLY 112 PRO stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-29 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2E6J "Solution Structure Of The C-Terminal Papd-Like Domain From Human Hydin Protein" 100.00 112 100.00 100.00 2.92e-72 DBJ BAB14314 "unnamed protein product [Homo sapiens]" 94.64 1017 98.11 98.11 8.36e-62 DBJ BAG61096 "unnamed protein product [Homo sapiens]" 94.64 940 99.06 99.06 9.44e-63 DBJ BAG61346 "unnamed protein product [Homo sapiens]" 94.64 950 99.06 99.06 1.09e-62 EMBL CAD38687 "hypothetical protein [Homo sapiens]" 94.64 528 98.11 98.11 3.48e-64 EMBL CAD39007 "hypothetical protein [Homo sapiens]" 94.64 833 97.17 97.17 1.77e-61 GB AAH28351 "HYDIN protein, partial [Homo sapiens]" 94.64 729 100.00 100.00 4.46e-64 GB AIC60203 "HYDIN, partial [synthetic construct]" 94.64 708 100.00 100.00 3.49e-64 GB EAW68881 "hCG2040498, partial [Homo sapiens]" 66.96 75 98.67 98.67 6.14e-43 REF NP_001185471 "hydrocephalus-inducing protein homolog isoform c [Homo sapiens]" 94.64 950 99.06 99.06 1.09e-62 REF NP_001185472 "hydrocephalus-inducing protein homolog isoform d [Homo sapiens]" 94.64 940 99.06 99.06 8.80e-63 REF NP_001257903 "hydrocephalus-inducing protein homolog isoform a [Homo sapiens]" 94.64 5121 99.06 99.06 5.86e-62 REF NP_060028 "hydrocephalus-inducing protein homolog isoform b [Homo sapiens]" 94.64 1017 99.06 99.06 1.36e-62 REF XP_004057985 "PREDICTED: hydrocephalus-inducing protein homolog, partial [Gorilla gorilla gorilla]" 94.64 4296 98.11 99.06 8.04e-62 SP Q4G0P3 "RecName: Full=Hydrocephalus-inducing protein homolog" 94.64 5121 99.06 99.06 5.86e-62 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_name $entity_1 'Cell free synthesis' 'E. coli' Escherichia coli . P060327-17 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1.13mM PapD domain [U-15N,13C], 20mM d-Tris-HCl(pH 7.0), 100mM NaCl, 1mM d-DTT, 0.02% NaN3, 90% H2O, 10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.13 mM '[U-13C; U-15N]' TRIS 20 mM [U-2H] 'sodium chloride' 100 mM 'natural abundance' DTT 1 mM [U-2H] 'sodium azide' 0.02 % 'natural abundance' H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Saveframe_category software _Name xwinnmr _Version 3.5 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 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 0.932 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.0.17 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_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 'PapD 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 4.547 0.030 1 2 7 7 GLY H H 8.217 0.030 1 3 7 7 GLY HA2 H 4.099 0.030 1 4 7 7 GLY HA3 H 4.099 0.030 1 5 7 7 GLY CA C 44.622 0.300 1 6 7 7 GLY N N 110.406 0.300 1 7 8 8 PRO HA H 4.464 0.030 1 8 8 8 PRO HB2 H 1.864 0.030 2 9 8 8 PRO HB3 H 2.268 0.030 2 10 8 8 PRO HD2 H 3.580 0.030 2 11 8 8 PRO HG2 H 2.060 0.030 2 12 8 8 PRO HG3 H 2.018 0.030 2 13 8 8 PRO C C 177.049 0.300 1 14 8 8 PRO CA C 62.942 0.300 1 15 8 8 PRO CB C 32.673 0.300 1 16 8 8 PRO CD C 49.763 0.300 1 17 8 8 PRO CG C 27.328 0.300 1 18 9 9 LYS H H 8.438 0.030 1 19 9 9 LYS HA H 4.351 0.030 1 20 9 9 LYS HB2 H 1.742 0.030 1 21 9 9 LYS HB3 H 1.742 0.030 1 22 9 9 LYS HD2 H 1.662 0.030 2 23 9 9 LYS HD3 H 1.608 0.030 2 24 9 9 LYS HE2 H 3.008 0.030 1 25 9 9 LYS HE3 H 3.008 0.030 1 26 9 9 LYS HG2 H 1.497 0.030 2 27 9 9 LYS HG3 H 1.411 0.030 2 28 9 9 LYS C C 174.514 0.300 1 29 9 9 LYS CA C 56.362 0.300 1 30 9 9 LYS CB C 33.056 0.300 1 31 9 9 LYS CD C 29.025 0.300 1 32 9 9 LYS CE C 42.369 0.300 1 33 9 9 LYS CG C 24.977 0.300 1 34 9 9 LYS N N 121.271 0.300 1 35 10 10 ILE H H 7.581 0.030 1 36 10 10 ILE HA H 5.377 0.030 1 37 10 10 ILE HB H 1.636 0.030 1 38 10 10 ILE HD1 H 0.629 0.030 1 39 10 10 ILE HG12 H 1.072 0.030 2 40 10 10 ILE HG13 H 1.286 0.030 2 41 10 10 ILE HG2 H 0.559 0.030 1 42 10 10 ILE C C 174.803 0.300 1 43 10 10 ILE CA C 58.473 0.300 1 44 10 10 ILE CB C 39.252 0.300 1 45 10 10 ILE CD1 C 14.098 0.300 1 46 10 10 ILE CG1 C 27.418 0.300 1 47 10 10 ILE CG2 C 18.118 0.300 1 48 10 10 ILE N N 118.158 0.300 1 49 11 11 HIS H H 7.848 0.030 1 50 11 11 HIS HA H 4.674 0.030 1 51 11 11 HIS HB2 H 3.170 0.030 1 52 11 11 HIS HB3 H 3.170 0.030 1 53 11 11 HIS HD2 H 6.541 0.030 1 54 11 11 HIS HE1 H 7.272 0.030 1 55 11 11 HIS C C 173.457 0.300 1 56 11 11 HIS CA C 54.673 0.300 1 57 11 11 HIS CB C 31.687 0.300 1 58 11 11 HIS CD2 C 126.165 0.300 1 59 11 11 HIS CE1 C 138.193 0.300 1 60 11 11 HIS N N 118.131 0.300 1 61 12 12 PHE H H 9.100 0.030 1 62 12 12 PHE HA H 5.832 0.030 1 63 12 12 PHE HB2 H 2.999 0.030 2 64 12 12 PHE HB3 H 3.125 0.030 2 65 12 12 PHE HD1 H 7.100 0.030 1 66 12 12 PHE HD2 H 7.100 0.030 1 67 12 12 PHE HE1 H 6.801 0.030 1 68 12 12 PHE HE2 H 6.801 0.030 1 69 12 12 PHE HZ H 6.697 0.030 1 70 12 12 PHE C C 178.593 0.300 1 71 12 12 PHE CA C 57.840 0.300 1 72 12 12 PHE CB C 42.624 0.300 1 73 12 12 PHE CD1 C 132.718 0.300 1 74 12 12 PHE CD2 C 132.718 0.300 1 75 12 12 PHE CE1 C 130.844 0.300 1 76 12 12 PHE CE2 C 130.844 0.300 1 77 12 12 PHE CZ C 128.109 0.300 1 78 12 12 PHE N N 119.258 0.300 1 79 13 13 ASN H H 9.724 0.030 1 80 13 13 ASN HA H 4.585 0.030 1 81 13 13 ASN HB2 H 3.055 0.030 2 82 13 13 ASN HB3 H 2.999 0.030 2 83 13 13 ASN HD21 H 7.819 0.030 2 84 13 13 ASN HD22 H 7.358 0.030 2 85 13 13 ASN C C 174.163 0.300 1 86 13 13 ASN CA C 55.342 0.300 1 87 13 13 ASN CB C 36.396 0.300 1 88 13 13 ASN N N 118.796 0.300 1 89 13 13 ASN ND2 N 115.251 0.300 1 90 14 14 PHE H H 7.099 0.030 1 91 14 14 PHE HA H 4.872 0.030 1 92 14 14 PHE HB2 H 3.019 0.030 2 93 14 14 PHE HB3 H 3.282 0.030 2 94 14 14 PHE HD1 H 7.020 0.030 1 95 14 14 PHE HD2 H 7.020 0.030 1 96 14 14 PHE HE1 H 7.287 0.030 1 97 14 14 PHE HE2 H 7.287 0.030 1 98 14 14 PHE HZ H 7.313 0.030 1 99 14 14 PHE C C 173.940 0.300 1 100 14 14 PHE CA C 55.412 0.300 1 101 14 14 PHE CB C 40.732 0.300 1 102 14 14 PHE CD1 C 132.508 0.300 1 103 14 14 PHE CD2 C 132.508 0.300 1 104 14 14 PHE CE1 C 131.074 0.300 1 105 14 14 PHE CE2 C 131.074 0.300 1 106 14 14 PHE CZ C 129.586 0.300 1 107 14 14 PHE N N 114.899 0.300 1 108 15 15 GLU H H 8.660 0.030 1 109 15 15 GLU HA H 4.574 0.030 1 110 15 15 GLU HB2 H 2.174 0.030 2 111 15 15 GLU HB3 H 2.076 0.030 2 112 15 15 GLU HG2 H 2.393 0.030 2 113 15 15 GLU C C 175.538 0.300 1 114 15 15 GLU CA C 57.171 0.300 1 115 15 15 GLU CB C 30.782 0.300 1 116 15 15 GLU CG C 36.703 0.300 1 117 15 15 GLU N N 116.853 0.300 1 118 16 16 LEU H H 7.623 0.030 1 119 16 16 LEU HA H 5.244 0.030 1 120 16 16 LEU HB2 H 1.449 0.030 2 121 16 16 LEU HB3 H 1.574 0.030 2 122 16 16 LEU HD1 H 0.667 0.030 1 123 16 16 LEU HD2 H 0.688 0.030 1 124 16 16 LEU HG H 1.217 0.030 1 125 16 16 LEU C C 174.080 0.300 1 126 16 16 LEU CA C 53.653 0.300 1 127 16 16 LEU CB C 44.894 0.300 1 128 16 16 LEU CD1 C 24.461 0.300 2 129 16 16 LEU CD2 C 25.148 0.300 2 130 16 16 LEU CG C 27.576 0.300 1 131 16 16 LEU N N 122.839 0.300 1 132 17 17 LEU H H 8.888 0.030 1 133 17 17 LEU HA H 4.186 0.030 1 134 17 17 LEU HB2 H 0.987 0.030 2 135 17 17 LEU HB3 H 1.509 0.030 2 136 17 17 LEU HD1 H 0.456 0.030 1 137 17 17 LEU HD2 H 0.406 0.030 1 138 17 17 LEU HG H 1.007 0.030 1 139 17 17 LEU C C 172.605 0.300 1 140 17 17 LEU CA C 53.196 0.300 1 141 17 17 LEU CB C 44.303 0.300 1 142 17 17 LEU CD1 C 22.259 0.300 2 143 17 17 LEU CD2 C 24.597 0.300 2 144 17 17 LEU CG C 26.871 0.300 1 145 17 17 LEU N N 129.080 0.300 1 146 18 18 ASP H H 8.552 0.030 1 147 18 18 ASP HA H 5.077 0.030 1 148 18 18 ASP HB2 H 1.966 0.030 2 149 18 18 ASP HB3 H 2.797 0.030 2 150 18 18 ASP C C 177.309 0.300 1 151 18 18 ASP CA C 51.190 0.300 1 152 18 18 ASP CB C 41.434 0.300 1 153 18 18 ASP N N 126.539 0.300 1 154 19 19 ILE H H 8.778 0.030 1 155 19 19 ILE HA H 3.982 0.030 1 156 19 19 ILE HB H 1.953 0.030 1 157 19 19 ILE HD1 H 0.447 0.030 1 158 19 19 ILE HG12 H 0.998 0.030 2 159 19 19 ILE HG13 H 1.246 0.030 2 160 19 19 ILE HG2 H -0.082 0.030 1 161 19 19 ILE C C 176.247 0.300 1 162 19 19 ILE CA C 61.490 0.300 1 163 19 19 ILE CB C 37.540 0.300 1 164 19 19 ILE CD1 C 14.658 0.300 1 165 19 19 ILE CG1 C 25.355 0.300 1 166 19 19 ILE CG2 C 17.049 0.300 1 167 19 19 ILE N N 119.913 0.300 1 168 20 20 GLY H H 8.334 0.030 1 169 20 20 GLY HA2 H 3.543 0.030 2 170 20 20 GLY HA3 H 3.768 0.030 2 171 20 20 GLY C C 172.276 0.300 1 172 20 20 GLY CA C 45.595 0.300 1 173 20 20 GLY N N 110.854 0.300 1 174 21 21 LYS H H 7.976 0.030 1 175 21 21 LYS HA H 5.228 0.030 1 176 21 21 LYS HB2 H 1.685 0.030 2 177 21 21 LYS HB3 H 1.425 0.030 2 178 21 21 LYS HD2 H 1.626 0.030 2 179 21 21 LYS HE2 H 2.923 0.030 2 180 21 21 LYS HG2 H 1.165 0.030 2 181 21 21 LYS HG3 H 1.502 0.030 2 182 21 21 LYS C C 177.255 0.300 1 183 21 21 LYS CA C 55.281 0.300 1 184 21 21 LYS CB C 33.277 0.300 1 185 21 21 LYS CD C 29.697 0.300 1 186 21 21 LYS CE C 42.262 0.300 1 187 21 21 LYS CG C 25.843 0.300 1 188 21 21 LYS N N 120.565 0.300 1 189 22 22 VAL H H 8.942 0.030 1 190 22 22 VAL HA H 4.556 0.030 1 191 22 22 VAL HB H 1.887 0.030 1 192 22 22 VAL HG1 H 0.506 0.030 1 193 22 22 VAL HG2 H 0.896 0.030 1 194 22 22 VAL C C 174.666 0.300 1 195 22 22 VAL CA C 58.614 0.300 1 196 22 22 VAL CB C 35.537 0.300 1 197 22 22 VAL CG1 C 21.183 0.300 2 198 22 22 VAL CG2 C 18.903 0.300 2 199 22 22 VAL N N 118.528 0.300 1 200 23 23 PHE H H 9.081 0.030 1 201 23 23 PHE HA H 4.960 0.030 1 202 23 23 PHE HB2 H 3.064 0.030 2 203 23 23 PHE HB3 H 3.140 0.030 2 204 23 23 PHE HD1 H 7.330 0.030 1 205 23 23 PHE HD2 H 7.330 0.030 1 206 23 23 PHE HE1 H 7.326 0.030 1 207 23 23 PHE HE2 H 7.326 0.030 1 208 23 23 PHE HZ H 7.272 0.030 1 209 23 23 PHE C C 178.772 0.300 1 210 23 23 PHE CA C 58.473 0.300 1 211 23 23 PHE CB C 40.487 0.300 1 212 23 23 PHE CD1 C 132.125 0.300 1 213 23 23 PHE CD2 C 132.125 0.300 1 214 23 23 PHE CE1 C 131.760 0.300 1 215 23 23 PHE CE2 C 131.760 0.300 1 216 23 23 PHE CZ C 129.744 0.300 1 217 23 23 PHE N N 122.838 0.300 1 218 24 24 THR H H 8.752 0.030 1 219 24 24 THR HA H 4.280 0.030 1 220 24 24 THR HB H 3.934 0.030 1 221 24 24 THR HG2 H 1.150 0.030 1 222 24 24 THR C C 174.520 0.300 1 223 24 24 THR CA C 61.323 0.300 1 224 24 24 THR CB C 68.692 0.300 1 225 24 24 THR CG2 C 21.225 0.300 1 226 24 24 THR N N 121.435 0.300 1 227 25 25 GLY H H 8.667 0.030 1 228 25 25 GLY HA2 H 3.434 0.030 2 229 25 25 GLY HA3 H 4.104 0.030 2 230 25 25 GLY C C 173.719 0.300 1 231 25 25 GLY CA C 45.560 0.300 1 232 25 25 GLY N N 114.567 0.300 1 233 26 26 SER H H 7.924 0.030 1 234 26 26 SER HA H 4.409 0.030 1 235 26 26 SER HB2 H 4.084 0.030 2 236 26 26 SER HB3 H 3.992 0.030 2 237 26 26 SER C C 173.510 0.300 1 238 26 26 SER CA C 58.473 0.300 1 239 26 26 SER CB C 64.932 0.300 1 240 26 26 SER N N 116.188 0.300 1 241 27 27 ALA H H 8.620 0.030 1 242 27 27 ALA HA H 5.065 0.030 1 243 27 27 ALA HB H 1.267 0.030 1 244 27 27 ALA C C 176.751 0.300 1 245 27 27 ALA CA C 51.542 0.300 1 246 27 27 ALA CB C 20.211 0.300 1 247 27 27 ALA N N 126.639 0.300 1 248 28 28 HIS H H 8.712 0.030 1 249 28 28 HIS HA H 4.655 0.030 1 250 28 28 HIS HB2 H 2.963 0.030 2 251 28 28 HIS HB3 H 3.154 0.030 2 252 28 28 HIS HD2 H 7.084 0.030 1 253 28 28 HIS HE1 H 8.466 0.030 1 254 28 28 HIS C C 173.777 0.300 1 255 28 28 HIS CA C 55.342 0.300 1 256 28 28 HIS CB C 35.678 0.300 1 257 28 28 HIS CD2 C 119.766 0.300 1 258 28 28 HIS CE1 C 137.606 0.300 1 259 28 28 HIS N N 120.470 0.300 1 260 29 29 CYS H H 8.329 0.030 1 261 29 29 CYS HA H 5.466 0.030 1 262 29 29 CYS HB2 H 2.617 0.030 2 263 29 29 CYS HB3 H 2.820 0.030 2 264 29 29 CYS C C 172.542 0.300 1 265 29 29 CYS CA C 57.277 0.300 1 266 29 29 CYS CB C 30.092 0.300 1 267 29 29 CYS N N 120.404 0.300 1 268 30 30 TYR H H 9.436 0.030 1 269 30 30 TYR HA H 4.822 0.030 1 270 30 30 TYR HB2 H 2.393 0.030 2 271 30 30 TYR HB3 H 3.271 0.030 2 272 30 30 TYR HD1 H 6.967 0.030 1 273 30 30 TYR HD2 H 6.967 0.030 1 274 30 30 TYR HE1 H 6.628 0.030 1 275 30 30 TYR HE2 H 6.628 0.030 1 276 30 30 TYR C C 173.948 0.300 1 277 30 30 TYR CA C 56.468 0.300 1 278 30 30 TYR CB C 42.502 0.300 1 279 30 30 TYR CD1 C 133.285 0.300 1 280 30 30 TYR CD2 C 133.285 0.300 1 281 30 30 TYR CE1 C 117.949 0.300 1 282 30 30 TYR CE2 C 117.949 0.300 1 283 30 30 TYR N N 124.295 0.300 1 284 31 31 GLU H H 8.576 0.030 1 285 31 31 GLU HA H 5.352 0.030 1 286 31 31 GLU HB2 H 2.000 0.030 1 287 31 31 GLU HB3 H 2.000 0.030 1 288 31 31 GLU HG2 H 1.993 0.030 2 289 31 31 GLU HG3 H 2.118 0.030 2 290 31 31 GLU C C 174.755 0.300 1 291 31 31 GLU CA C 55.764 0.300 1 292 31 31 GLU CB C 34.154 0.300 1 293 31 31 GLU CG C 38.028 0.300 1 294 31 31 GLU N N 121.541 0.300 1 295 32 32 ALA H H 9.007 0.030 1 296 32 32 ALA HA H 4.903 0.030 1 297 32 32 ALA HB H 1.247 0.030 1 298 32 32 ALA C C 174.673 0.300 1 299 32 32 ALA CA C 50.592 0.300 1 300 32 32 ALA CB C 23.169 0.300 1 301 32 32 ALA N N 128.122 0.300 1 302 33 33 ILE H H 8.276 0.030 1 303 33 33 ILE HA H 4.391 0.030 1 304 33 33 ILE HB H 1.326 0.030 1 305 33 33 ILE HD1 H 0.742 0.030 1 306 33 33 ILE HG12 H 1.408 0.030 2 307 33 33 ILE HG13 H 0.899 0.030 2 308 33 33 ILE HG2 H 0.126 0.030 1 309 33 33 ILE C C 173.473 0.300 1 310 33 33 ILE CA C 60.444 0.300 1 311 33 33 ILE CB C 40.182 0.300 1 312 33 33 ILE CD1 C 12.149 0.300 1 313 33 33 ILE CG1 C 27.410 0.300 1 314 33 33 ILE CG2 C 17.967 0.300 1 315 33 33 ILE N N 120.726 0.300 1 316 34 34 LEU H H 8.275 0.030 1 317 34 34 LEU HA H 4.225 0.030 1 318 34 34 LEU HB2 H 0.914 0.030 2 319 34 34 LEU HB3 H 0.760 0.030 2 320 34 34 LEU HD1 H -0.535 0.030 1 321 34 34 LEU HD2 H -0.623 0.030 1 322 34 34 LEU HG H 0.598 0.030 1 323 34 34 LEU C C 174.535 0.300 1 324 34 34 LEU CA C 52.809 0.300 1 325 34 34 LEU CB C 45.091 0.300 1 326 34 34 LEU CD1 C 22.445 0.300 2 327 34 34 LEU CD2 C 23.545 0.300 2 328 34 34 LEU CG C 25.877 0.300 1 329 34 34 LEU N N 127.279 0.300 1 330 35 35 TYR H H 8.440 0.030 1 331 35 35 TYR HA H 4.671 0.030 1 332 35 35 TYR HB2 H 2.033 0.030 2 333 35 35 TYR HB3 H 2.638 0.030 2 334 35 35 TYR HD1 H 6.786 0.030 1 335 35 35 TYR HD2 H 6.786 0.030 1 336 35 35 TYR HE1 H 6.535 0.030 1 337 35 35 TYR HE2 H 6.535 0.030 1 338 35 35 TYR C C 175.159 0.300 1 339 35 35 TYR CA C 56.679 0.300 1 340 35 35 TYR CB C 40.897 0.300 1 341 35 35 TYR CD1 C 133.551 0.300 1 342 35 35 TYR CD2 C 133.551 0.300 1 343 35 35 TYR CE1 C 117.603 0.300 1 344 35 35 TYR CE2 C 117.603 0.300 1 345 35 35 TYR N N 120.779 0.300 1 346 36 36 ASN H H 7.831 0.030 1 347 36 36 ASN HA H 5.186 0.030 1 348 36 36 ASN HB2 H 2.004 0.030 2 349 36 36 ASN HB3 H 3.209 0.030 2 350 36 36 ASN HD21 H 6.542 0.030 2 351 36 36 ASN HD22 H 7.239 0.030 2 352 36 36 ASN C C 175.581 0.300 1 353 36 36 ASN CA C 51.260 0.300 1 354 36 36 ASN CB C 39.058 0.300 1 355 36 36 ASN N N 114.745 0.300 1 356 36 36 ASN ND2 N 111.483 0.300 1 357 37 37 LYS H H 8.979 0.030 1 358 37 37 LYS HA H 4.625 0.030 1 359 37 37 LYS HB2 H 1.858 0.030 2 360 37 37 LYS HB3 H 2.119 0.030 2 361 37 37 LYS HD2 H 1.711 0.030 2 362 37 37 LYS HD3 H 1.614 0.030 2 363 37 37 LYS HE2 H 2.828 0.030 2 364 37 37 LYS HE3 H 2.665 0.030 2 365 37 37 LYS HG2 H 1.387 0.030 2 366 37 37 LYS HG3 H 1.573 0.030 2 367 37 37 LYS C C 177.451 0.300 1 368 37 37 LYS CA C 54.884 0.300 1 369 37 37 LYS CB C 32.345 0.300 1 370 37 37 LYS CD C 28.648 0.300 1 371 37 37 LYS CE C 41.850 0.300 1 372 37 37 LYS CG C 25.130 0.300 1 373 37 37 LYS N N 124.009 0.300 1 374 38 38 GLY H H 8.282 0.030 1 375 38 38 GLY HA2 H 4.009 0.030 2 376 38 38 GLY HA3 H 4.492 0.030 2 377 38 38 GLY C C 173.190 0.300 1 378 38 38 GLY CA C 44.294 0.300 1 379 38 38 GLY N N 108.122 0.300 1 380 39 39 SER H H 8.542 0.030 1 381 39 39 SER HA H 4.535 0.030 1 382 39 39 SER HB2 H 3.890 0.030 2 383 39 39 SER HB3 H 3.994 0.030 2 384 39 39 SER C C 173.570 0.300 1 385 39 39 SER CA C 58.684 0.300 1 386 39 39 SER CB C 64.368 0.300 1 387 39 39 SER N N 110.612 0.300 1 388 40 40 ILE H H 7.172 0.030 1 389 40 40 ILE HA H 4.668 0.030 1 390 40 40 ILE HB H 1.904 0.030 1 391 40 40 ILE HD1 H 0.870 0.030 1 392 40 40 ILE HG12 H 1.330 0.030 2 393 40 40 ILE HG13 H 0.999 0.030 2 394 40 40 ILE HG2 H 0.917 0.030 1 395 40 40 ILE C C 175.233 0.300 1 396 40 40 ILE CA C 59.036 0.300 1 397 40 40 ILE CB C 42.130 0.300 1 398 40 40 ILE CD1 C 13.588 0.300 1 399 40 40 ILE CG1 C 25.437 0.300 1 400 40 40 ILE CG2 C 17.479 0.300 1 401 40 40 ILE N N 114.941 0.300 1 402 41 41 ASP H H 8.597 0.030 1 403 41 41 ASP HA H 4.320 0.030 1 404 41 41 ASP HB2 H 2.374 0.030 2 405 41 41 ASP HB3 H 2.221 0.030 2 406 41 41 ASP C C 174.921 0.300 1 407 41 41 ASP CA C 55.764 0.300 1 408 41 41 ASP CB C 41.308 0.300 1 409 41 41 ASP N N 124.368 0.300 1 410 42 42 ALA H H 8.588 0.030 1 411 42 42 ALA HA H 4.832 0.030 1 412 42 42 ALA HB H 1.171 0.030 1 413 42 42 ALA C C 174.847 0.300 1 414 42 42 ALA CA C 50.029 0.300 1 415 42 42 ALA CB C 21.157 0.300 1 416 42 42 ALA N N 123.452 0.300 1 417 43 43 LEU H H 8.901 0.030 1 418 43 43 LEU HA H 5.048 0.030 1 419 43 43 LEU HB2 H 1.545 0.030 2 420 43 43 LEU HB3 H 1.673 0.030 2 421 43 43 LEU HD1 H 0.828 0.030 1 422 43 43 LEU HD2 H 0.812 0.030 1 423 43 43 LEU HG H 1.576 0.030 1 424 43 43 LEU C C 175.698 0.300 1 425 43 43 LEU CA C 54.814 0.300 1 426 43 43 LEU CB C 42.130 0.300 1 427 43 43 LEU CD1 C 24.444 0.300 2 428 43 43 LEU CD2 C 25.514 0.300 2 429 43 43 LEU CG C 28.845 0.300 1 430 43 43 LEU N N 127.772 0.300 1 431 44 44 PHE H H 8.641 0.030 1 432 44 44 PHE HA H 6.122 0.030 1 433 44 44 PHE HB2 H 2.868 0.030 2 434 44 44 PHE HB3 H 2.283 0.030 2 435 44 44 PHE HD1 H 6.675 0.030 1 436 44 44 PHE HD2 H 6.675 0.030 1 437 44 44 PHE HE1 H 6.775 0.030 1 438 44 44 PHE HE2 H 6.775 0.030 1 439 44 44 PHE HZ H 6.637 0.030 1 440 44 44 PHE C C 174.002 0.300 1 441 44 44 PHE CA C 54.497 0.300 1 442 44 44 PHE CB C 43.240 0.300 1 443 44 44 PHE CD1 C 131.711 0.300 1 444 44 44 PHE CD2 C 131.711 0.300 1 445 44 44 PHE CE1 C 129.861 0.300 1 446 44 44 PHE CE2 C 129.861 0.300 1 447 44 44 PHE CZ C 128.939 0.300 1 448 44 44 PHE N N 121.991 0.300 1 449 45 45 ASN H H 8.860 0.030 1 450 45 45 ASN HA H 5.163 0.030 1 451 45 45 ASN HB2 H 2.821 0.030 2 452 45 45 ASN HB3 H 2.753 0.030 2 453 45 45 ASN HD21 H 7.392 0.030 2 454 45 45 ASN HD22 H 6.830 0.030 2 455 45 45 ASN C C 173.934 0.300 1 456 45 45 ASN CA C 53.408 0.300 1 457 45 45 ASN CB C 41.719 0.300 1 458 45 45 ASN N N 116.158 0.300 1 459 45 45 ASN ND2 N 114.094 0.300 1 460 46 46 MET H H 8.887 0.030 1 461 46 46 MET HA H 5.066 0.030 1 462 46 46 MET HB2 H 1.957 0.030 2 463 46 46 MET HB3 H 2.085 0.030 2 464 46 46 MET HE H 1.188 0.030 1 465 46 46 MET HG2 H 2.440 0.030 2 466 46 46 MET HG3 H 2.635 0.030 2 467 46 46 MET C C 176.584 0.300 1 468 46 46 MET CA C 55.447 0.300 1 469 46 46 MET CB C 33.331 0.300 1 470 46 46 MET CE C 15.644 0.300 1 471 46 46 MET CG C 32.536 0.300 1 472 46 46 MET N N 122.585 0.300 1 473 47 47 THR H H 8.689 0.030 1 474 47 47 THR HA H 4.595 0.030 1 475 47 47 THR HB H 4.317 0.030 1 476 47 47 THR HG2 H 1.347 0.030 1 477 47 47 THR C C 172.529 0.300 1 478 47 47 THR CA C 61.385 0.300 1 479 47 47 THR CB C 69.963 0.300 1 480 47 47 THR CG2 C 21.556 0.300 1 481 47 47 THR N N 124.197 0.300 1 482 48 48 PRO HA H 4.827 0.030 1 483 48 48 PRO HB2 H 1.980 0.030 2 484 48 48 PRO HB3 H 2.501 0.030 2 485 48 48 PRO HD2 H 3.801 0.030 2 486 48 48 PRO HD3 H 4.106 0.030 2 487 48 48 PRO HG2 H 2.107 0.030 2 488 48 48 PRO HG3 H 2.220 0.030 2 489 48 48 PRO CA C 61.759 0.300 1 490 48 48 PRO CB C 31.301 0.300 1 491 48 48 PRO CD C 51.400 0.300 1 492 48 48 PRO CG C 27.712 0.300 1 493 49 49 PRO HA H 4.726 0.030 1 494 49 49 PRO HB2 H 1.956 0.030 2 495 49 49 PRO HB3 H 2.524 0.030 2 496 49 49 PRO HD2 H 3.823 0.030 2 497 49 49 PRO HD3 H 4.053 0.030 2 498 49 49 PRO HG2 H 2.254 0.030 1 499 49 49 PRO HG3 H 2.254 0.030 1 500 49 49 PRO C C 177.455 0.300 1 501 49 49 PRO CA C 62.731 0.300 1 502 49 49 PRO CB C 33.078 0.300 1 503 49 49 PRO CD C 50.959 0.300 1 504 49 49 PRO CG C 27.657 0.300 1 505 50 50 THR H H 8.947 0.030 1 506 50 50 THR HA H 4.528 0.030 1 507 50 50 THR HB H 4.449 0.030 1 508 50 50 THR HG2 H 1.234 0.030 1 509 50 50 THR C C 174.787 0.300 1 510 50 50 THR CA C 61.323 0.300 1 511 50 50 THR CB C 69.888 0.300 1 512 50 50 THR CG2 C 21.749 0.300 1 513 50 50 THR N N 110.882 0.300 1 514 51 51 SER H H 7.881 0.030 1 515 51 51 SER HA H 4.698 0.030 1 516 51 51 SER HB2 H 4.455 0.030 2 517 51 51 SER HB3 H 4.073 0.030 2 518 51 51 SER C C 174.656 0.300 1 519 51 51 SER CA C 56.503 0.300 1 520 51 51 SER CB C 65.815 0.300 1 521 51 51 SER N N 117.852 0.300 1 522 52 52 ALA H H 8.880 0.030 1 523 52 52 ALA HA H 4.132 0.030 1 524 52 52 ALA HB H 1.431 0.030 1 525 52 52 ALA C C 180.477 0.300 1 526 52 52 ALA CA C 55.209 0.300 1 527 52 52 ALA CB C 18.004 0.300 1 528 52 52 ALA N N 125.037 0.300 1 529 53 53 LEU H H 8.661 0.030 1 530 53 53 LEU HA H 4.305 0.030 1 531 53 53 LEU HB2 H 1.867 0.030 2 532 53 53 LEU HB3 H 1.463 0.030 2 533 53 53 LEU HD1 H 0.693 0.030 1 534 53 53 LEU HD2 H 0.781 0.030 1 535 53 53 LEU HG H 1.740 0.030 1 536 53 53 LEU C C 180.914 0.300 1 537 53 53 LEU CA C 55.694 0.300 1 538 53 53 LEU CB C 40.815 0.300 1 539 53 53 LEU CD1 C 24.169 0.300 2 540 53 53 LEU CD2 C 23.751 0.300 2 541 53 53 LEU CG C 28.315 0.300 1 542 53 53 LEU N N 118.971 0.300 1 543 54 54 GLY H H 8.354 0.030 1 544 54 54 GLY HA2 H 3.953 0.030 2 545 54 54 GLY HA3 H 3.991 0.030 2 546 54 54 GLY C C 175.609 0.300 1 547 54 54 GLY CA C 47.988 0.300 1 548 54 54 GLY N N 109.417 0.300 1 549 55 55 ALA H H 7.653 0.030 1 550 55 55 ALA HA H 4.516 0.030 1 551 55 55 ALA HB H 1.589 0.030 1 552 55 55 ALA C C 178.433 0.300 1 553 55 55 ALA CA C 53.336 0.300 1 554 55 55 ALA CB C 18.408 0.300 1 555 55 55 ALA N N 119.322 0.300 1 556 56 56 CYS H H 7.995 0.030 1 557 56 56 CYS HA H 4.291 0.030 1 558 56 56 CYS HB2 H 3.226 0.030 2 559 56 56 CYS HB3 H 3.034 0.030 2 560 56 56 CYS C C 173.237 0.300 1 561 56 56 CYS CA C 61.354 0.300 1 562 56 56 CYS CB C 28.365 0.300 1 563 56 56 CYS N N 116.374 0.300 1 564 57 57 PHE H H 7.671 0.030 1 565 57 57 PHE HA H 5.309 0.030 1 566 57 57 PHE HB2 H 3.233 0.030 2 567 57 57 PHE HB3 H 2.212 0.030 2 568 57 57 PHE HD1 H 7.253 0.030 1 569 57 57 PHE HD2 H 7.253 0.030 1 570 57 57 PHE HE1 H 6.575 0.030 1 571 57 57 PHE HE2 H 6.575 0.030 1 572 57 57 PHE HZ H 6.421 0.030 1 573 57 57 PHE C C 175.250 0.300 1 574 57 57 PHE CA C 57.267 0.300 1 575 57 57 PHE CB C 41.863 0.300 1 576 57 57 PHE CD1 C 132.714 0.300 1 577 57 57 PHE CD2 C 132.714 0.300 1 578 57 57 PHE CE1 C 130.513 0.300 1 579 57 57 PHE CE2 C 130.513 0.300 1 580 57 57 PHE CZ C 130.320 0.300 1 581 57 57 PHE N N 118.568 0.300 1 582 58 58 VAL H H 8.806 0.030 1 583 58 58 VAL HA H 4.351 0.030 1 584 58 58 VAL HB H 1.896 0.030 1 585 58 58 VAL HG1 H 0.913 0.030 1 586 58 58 VAL HG2 H 0.913 0.030 1 587 58 58 VAL C C 175.001 0.300 1 588 58 58 VAL CA C 61.746 0.300 1 589 58 58 VAL CB C 34.400 0.300 1 590 58 58 VAL CG1 C 21.054 0.300 2 591 58 58 VAL CG2 C 21.243 0.300 2 592 58 58 VAL N N 121.940 0.300 1 593 59 59 PHE H H 8.920 0.030 1 594 59 59 PHE HA H 5.096 0.030 1 595 59 59 PHE HB2 H 2.920 0.030 2 596 59 59 PHE HB3 H 2.718 0.030 2 597 59 59 PHE HD1 H 7.035 0.030 1 598 59 59 PHE HD2 H 7.035 0.030 1 599 59 59 PHE HE1 H 6.547 0.030 1 600 59 59 PHE HE2 H 6.547 0.030 1 601 59 59 PHE HZ H 5.423 0.030 1 602 59 59 PHE C C 175.406 0.300 1 603 59 59 PHE CA C 56.855 0.300 1 604 59 59 PHE CB C 41.046 0.300 1 605 59 59 PHE CD1 C 131.645 0.300 1 606 59 59 PHE CD2 C 131.645 0.300 1 607 59 59 PHE CE1 C 130.702 0.300 1 608 59 59 PHE CE2 C 130.702 0.300 1 609 59 59 PHE CZ C 128.829 0.300 1 610 59 59 PHE N N 128.329 0.300 1 611 60 60 SER H H 8.922 0.030 1 612 60 60 SER HA H 4.985 0.030 1 613 60 60 SER HB2 H 3.854 0.030 2 614 60 60 SER HB3 H 3.720 0.030 2 615 60 60 SER C C 172.457 0.300 1 616 60 60 SER CA C 54.427 0.300 1 617 60 60 SER CB C 65.144 0.300 1 618 60 60 SER N N 115.887 0.300 1 619 61 61 PRO HA H 5.038 0.030 1 620 61 61 PRO HB2 H 2.495 0.030 2 621 61 61 PRO HB3 H 2.596 0.030 2 622 61 61 PRO HD2 H 4.233 0.030 2 623 61 61 PRO HD3 H 3.664 0.030 2 624 61 61 PRO HG2 H 1.913 0.030 2 625 61 61 PRO HG3 H 2.122 0.030 2 626 61 61 PRO C C 174.040 0.300 1 627 61 61 PRO CA C 63.575 0.300 1 628 61 61 PRO CB C 34.812 0.300 1 629 61 61 PRO CD C 50.321 0.300 1 630 61 61 PRO CG C 24.877 0.300 1 631 62 62 LYS H H 8.491 0.030 1 632 62 62 LYS HA H 4.571 0.030 1 633 62 62 LYS HB2 H 2.073 0.030 1 634 62 62 LYS HB3 H 2.073 0.030 1 635 62 62 LYS HD2 H 1.904 0.030 2 636 62 62 LYS HD3 H 1.851 0.030 2 637 62 62 LYS HE2 H 3.159 0.030 1 638 62 62 LYS HE3 H 3.159 0.030 1 639 62 62 LYS HG2 H 1.651 0.030 2 640 62 62 LYS HG3 H 1.475 0.030 2 641 62 62 LYS C C 174.693 0.300 1 642 62 62 LYS CA C 55.694 0.300 1 643 62 62 LYS CB C 33.414 0.300 1 644 62 62 LYS CD C 29.858 0.300 1 645 62 62 LYS CE C 42.377 0.300 1 646 62 62 LYS CG C 24.368 0.300 1 647 62 62 LYS N N 112.856 0.300 1 648 63 63 GLU H H 7.475 0.030 1 649 63 63 GLU HA H 4.286 0.030 1 650 63 63 GLU HB2 H 1.960 0.030 2 651 63 63 GLU HB3 H 2.068 0.030 2 652 63 63 GLU HG2 H 2.015 0.030 1 653 63 63 GLU HG3 H 2.015 0.030 1 654 63 63 GLU C C 173.884 0.300 1 655 63 63 GLU CA C 53.899 0.300 1 656 63 63 GLU CB C 32.062 0.300 1 657 63 63 GLU CG C 34.483 0.300 1 658 63 63 GLU N N 115.233 0.300 1 659 64 64 GLY H H 6.899 0.030 1 660 64 64 GLY HA2 H 3.717 0.030 2 661 64 64 GLY HA3 H 3.813 0.030 2 662 64 64 GLY C C 170.466 0.300 1 663 64 64 GLY CA C 45.701 0.300 1 664 64 64 GLY N N 105.850 0.300 1 665 65 65 ILE H H 8.281 0.030 1 666 65 65 ILE HA H 5.193 0.030 1 667 65 65 ILE HB H 1.623 0.030 1 668 65 65 ILE HD1 H 0.808 0.030 1 669 65 65 ILE HG12 H 1.427 0.030 2 670 65 65 ILE HG13 H 0.905 0.030 2 671 65 65 ILE HG2 H 0.739 0.030 1 672 65 65 ILE C C 175.436 0.300 1 673 65 65 ILE CA C 59.740 0.300 1 674 65 65 ILE CB C 41.308 0.300 1 675 65 65 ILE CD1 C 13.744 0.300 1 676 65 65 ILE CG1 C 28.233 0.300 1 677 65 65 ILE CG2 C 16.604 0.300 1 678 65 65 ILE N N 120.308 0.300 1 679 66 66 ILE H H 9.268 0.030 1 680 66 66 ILE HA H 4.477 0.030 1 681 66 66 ILE HB H 1.548 0.030 1 682 66 66 ILE HD1 H 0.294 0.030 1 683 66 66 ILE HG12 H 0.847 0.030 2 684 66 66 ILE HG13 H 1.753 0.030 2 685 66 66 ILE HG2 H 0.900 0.030 1 686 66 66 ILE C C 176.404 0.300 1 687 66 66 ILE CA C 60.162 0.300 1 688 66 66 ILE CB C 40.321 0.300 1 689 66 66 ILE CD1 C 14.564 0.300 1 690 66 66 ILE CG1 C 26.909 0.300 1 691 66 66 ILE CG2 C 18.330 0.300 1 692 66 66 ILE N N 126.285 0.300 1 693 67 67 GLU H H 9.375 0.030 1 694 67 67 GLU HA H 4.802 0.030 1 695 67 67 GLU HB2 H 2.061 0.030 2 696 67 67 GLU HB3 H 1.980 0.030 2 697 67 67 GLU HG2 H 2.297 0.030 1 698 67 67 GLU HG3 H 2.297 0.030 1 699 67 67 GLU C C 173.692 0.300 1 700 67 67 GLU CA C 55.870 0.300 1 701 67 67 GLU CB C 27.739 0.300 1 702 67 67 GLU CG C 35.994 0.300 1 703 67 67 GLU N N 131.512 0.300 1 704 68 68 PRO HA H 3.877 0.030 1 705 68 68 PRO HB2 H 1.778 0.030 2 706 68 68 PRO HB3 H 2.199 0.030 2 707 68 68 PRO HD2 H 3.486 0.030 2 708 68 68 PRO HD3 H 4.083 0.030 2 709 68 68 PRO HG2 H 1.968 0.030 2 710 68 68 PRO HG3 H 1.228 0.030 2 711 68 68 PRO C C 177.888 0.300 1 712 68 68 PRO CA C 64.490 0.300 1 713 68 68 PRO CB C 32.180 0.300 1 714 68 68 PRO CD C 50.315 0.300 1 715 68 68 PRO CG C 27.904 0.300 1 716 69 69 SER H H 8.020 0.030 1 717 69 69 SER HA H 4.266 0.030 1 718 69 69 SER HB2 H 4.144 0.030 1 719 69 69 SER HB3 H 4.144 0.030 1 720 69 69 SER C C 173.661 0.300 1 721 69 69 SER CA C 61.007 0.300 1 722 69 69 SER CB C 62.113 0.300 1 723 69 69 SER N N 116.951 0.300 1 724 70 70 GLY H H 8.469 0.030 1 725 70 70 GLY HA2 H 3.663 0.030 2 726 70 70 GLY HA3 H 4.406 0.030 2 727 70 70 GLY C C 172.808 0.300 1 728 70 70 GLY CA C 44.047 0.300 1 729 70 70 GLY N N 109.071 0.300 1 730 71 71 VAL H H 8.177 0.030 1 731 71 71 VAL HA H 4.857 0.030 1 732 71 71 VAL HB H 1.662 0.030 1 733 71 71 VAL HG1 H 0.595 0.030 1 734 71 71 VAL HG2 H 0.691 0.030 1 735 71 71 VAL C C 175.178 0.300 1 736 71 71 VAL CA C 59.353 0.300 1 737 71 71 VAL CB C 35.798 0.300 1 738 71 71 VAL CG1 C 22.016 0.300 2 739 71 71 VAL CG2 C 19.530 0.300 2 740 71 71 VAL N N 114.018 0.300 1 741 72 72 GLN H H 8.833 0.030 1 742 72 72 GLN HA H 4.440 0.030 1 743 72 72 GLN HB2 H 1.987 0.030 2 744 72 72 GLN HB3 H 1.602 0.030 2 745 72 72 GLN HE21 H 7.284 0.030 2 746 72 72 GLN HE22 H 8.332 0.030 2 747 72 72 GLN HG2 H 2.079 0.030 2 748 72 72 GLN HG3 H 1.840 0.030 2 749 72 72 GLN C C 173.603 0.300 1 750 72 72 GLN CA C 54.005 0.300 1 751 72 72 GLN CB C 32.009 0.300 1 752 72 72 GLN CG C 34.189 0.300 1 753 72 72 GLN N N 122.949 0.300 1 754 72 72 GLN NE2 N 116.991 0.300 1 755 73 73 ALA H H 9.037 0.030 1 756 73 73 ALA HA H 4.669 0.030 1 757 73 73 ALA HB H 1.303 0.030 1 758 73 73 ALA C C 177.628 0.300 1 759 73 73 ALA CA C 52.457 0.300 1 760 73 73 ALA CB C 18.724 0.300 1 761 73 73 ALA N N 131.228 0.300 1 762 74 74 ILE H H 9.579 0.030 1 763 74 74 ILE HA H 4.648 0.030 1 764 74 74 ILE HB H 1.932 0.030 1 765 74 74 ILE HD1 H 0.659 0.030 1 766 74 74 ILE HG12 H 1.324 0.030 1 767 74 74 ILE HG13 H 1.324 0.030 1 768 74 74 ILE HG2 H 0.996 0.030 1 769 74 74 ILE C C 175.073 0.300 1 770 74 74 ILE CA C 59.670 0.300 1 771 74 74 ILE CB C 39.797 0.300 1 772 74 74 ILE CD1 C 11.883 0.300 1 773 74 74 ILE CG1 C 27.082 0.300 1 774 74 74 ILE CG2 C 17.628 0.300 1 775 74 74 ILE N N 127.059 0.300 1 776 75 75 GLN H H 9.080 0.030 1 777 75 75 GLN HA H 4.732 0.030 1 778 75 75 GLN HB2 H 2.156 0.030 1 779 75 75 GLN HB3 H 2.156 0.030 1 780 75 75 GLN HE21 H 7.427 0.030 2 781 75 75 GLN HE22 H 7.190 0.030 2 782 75 75 GLN HG2 H 2.436 0.030 2 783 75 75 GLN HG3 H 2.379 0.030 2 784 75 75 GLN C C 175.513 0.300 1 785 75 75 GLN CA C 55.271 0.300 1 786 75 75 GLN CB C 29.877 0.300 1 787 75 75 GLN CG C 34.285 0.300 1 788 75 75 GLN N N 126.071 0.300 1 789 75 75 GLN NE2 N 112.684 0.300 1 790 76 76 ILE H H 8.997 0.030 1 791 76 76 ILE HA H 4.538 0.030 1 792 76 76 ILE HB H 1.616 0.030 1 793 76 76 ILE HD1 H 0.492 0.030 1 794 76 76 ILE HG12 H 0.405 0.030 2 795 76 76 ILE HG13 H 1.512 0.030 2 796 76 76 ILE HG2 H 0.460 0.030 1 797 76 76 ILE C C 175.367 0.300 1 798 76 76 ILE CA C 60.127 0.300 1 799 76 76 ILE CB C 40.321 0.300 1 800 76 76 ILE CD1 C 14.341 0.300 1 801 76 76 ILE CG1 C 26.012 0.300 1 802 76 76 ILE CG2 C 17.317 0.300 1 803 76 76 ILE N N 126.913 0.300 1 804 77 77 SER H H 9.220 0.030 1 805 77 77 SER HA H 5.470 0.030 1 806 77 77 SER HB2 H 3.834 0.030 2 807 77 77 SER HB3 H 3.764 0.030 2 808 77 77 SER C C 173.319 0.300 1 809 77 77 SER CA C 57.136 0.300 1 810 77 77 SER CB C 64.642 0.300 1 811 77 77 SER N N 122.910 0.300 1 812 78 78 PHE H H 8.883 0.030 1 813 78 78 PHE HA H 5.075 0.030 1 814 78 78 PHE HB2 H 2.715 0.030 2 815 78 78 PHE HB3 H 2.474 0.030 2 816 78 78 PHE HD1 H 5.787 0.030 1 817 78 78 PHE HD2 H 5.787 0.030 1 818 78 78 PHE HE1 H 6.544 0.030 1 819 78 78 PHE HE2 H 6.544 0.030 1 820 78 78 PHE HZ H 6.458 0.030 1 821 78 78 PHE C C 174.023 0.300 1 822 78 78 PHE CA C 56.749 0.300 1 823 78 78 PHE CB C 44.387 0.300 1 824 78 78 PHE CD1 C 130.768 0.300 1 825 78 78 PHE CD2 C 130.768 0.300 1 826 78 78 PHE CE1 C 130.672 0.300 1 827 78 78 PHE CE2 C 130.672 0.300 1 828 78 78 PHE CZ C 129.044 0.300 1 829 78 78 PHE N N 124.213 0.300 1 830 79 79 SER H H 6.329 0.030 1 831 79 79 SER HA H 4.003 0.030 1 832 79 79 SER HB2 H 3.331 0.030 2 833 79 79 SER HB3 H 3.638 0.030 2 834 79 79 SER C C 172.882 0.300 1 835 79 79 SER CA C 57.488 0.300 1 836 79 79 SER CB C 64.810 0.300 1 837 79 79 SER N N 119.723 0.300 1 838 80 80 SER H H 8.912 0.030 1 839 80 80 SER HA H 4.546 0.030 1 840 80 80 SER HB2 H 3.346 0.030 2 841 80 80 SER HB3 H 3.091 0.030 2 842 80 80 SER C C 174.635 0.300 1 843 80 80 SER CA C 57.031 0.300 1 844 80 80 SER CB C 67.005 0.300 1 845 80 80 SER N N 119.420 0.300 1 846 81 81 ILE H H 8.081 0.030 1 847 81 81 ILE HA H 4.891 0.030 1 848 81 81 ILE HB H 2.108 0.030 1 849 81 81 ILE HD1 H 0.808 0.030 1 850 81 81 ILE HG12 H 1.071 0.030 1 851 81 81 ILE HG13 H 1.071 0.030 1 852 81 81 ILE HG2 H 0.798 0.030 1 853 81 81 ILE C C 175.862 0.300 1 854 81 81 ILE CA C 60.303 0.300 1 855 81 81 ILE CB C 38.247 0.300 1 856 81 81 ILE CD1 C 14.411 0.300 1 857 81 81 ILE CG1 C 26.275 0.300 1 858 81 81 ILE CG2 C 17.607 0.300 1 859 81 81 ILE N N 117.830 0.300 1 860 82 82 ILE H H 8.463 0.030 1 861 82 82 ILE HA H 3.838 0.030 1 862 82 82 ILE HB H 1.766 0.030 1 863 82 82 ILE HD1 H 0.741 0.030 1 864 82 82 ILE HG12 H 0.900 0.030 2 865 82 82 ILE HG13 H 1.487 0.030 2 866 82 82 ILE HG2 H 0.828 0.030 1 867 82 82 ILE C C 175.367 0.300 1 868 82 82 ILE CA C 61.501 0.300 1 869 82 82 ILE CB C 37.279 0.300 1 870 82 82 ILE CD1 C 13.551 0.300 1 871 82 82 ILE CG1 C 27.429 0.300 1 872 82 82 ILE CG2 C 17.296 0.300 1 873 82 82 ILE N N 126.839 0.300 1 874 83 83 LEU H H 8.056 0.030 1 875 83 83 LEU HA H 3.948 0.030 1 876 83 83 LEU HB2 H 1.740 0.030 2 877 83 83 LEU HB3 H 1.394 0.030 2 878 83 83 LEU HD1 H 0.913 0.030 1 879 83 83 LEU HD2 H 0.662 0.030 1 880 83 83 LEU HG H 1.704 0.030 1 881 83 83 LEU C C 178.361 0.300 1 882 83 83 LEU CA C 55.975 0.300 1 883 83 83 LEU CB C 42.788 0.300 1 884 83 83 LEU CD1 C 25.618 0.300 2 885 83 83 LEU CD2 C 23.369 0.300 2 886 83 83 LEU CG C 27.246 0.300 1 887 83 83 LEU N N 126.622 0.300 1 888 84 84 GLY H H 9.071 0.030 1 889 84 84 GLY HA2 H 3.794 0.030 2 890 84 84 GLY HA3 H 4.850 0.030 2 891 84 84 GLY C C 176.209 0.300 1 892 84 84 GLY CA C 44.094 0.300 1 893 84 84 GLY N N 106.595 0.300 1 894 85 85 ASN H H 8.822 0.030 1 895 85 85 ASN HA H 5.063 0.030 1 896 85 85 ASN HB2 H 2.794 0.030 2 897 85 85 ASN HB3 H 2.664 0.030 2 898 85 85 ASN HD21 H 6.840 0.030 2 899 85 85 ASN HD22 H 7.567 0.030 2 900 85 85 ASN C C 175.241 0.300 1 901 85 85 ASN CA C 54.286 0.300 1 902 85 85 ASN CB C 39.710 0.300 1 903 85 85 ASN N N 121.038 0.300 1 904 85 85 ASN ND2 N 112.794 0.300 1 905 86 86 PHE H H 8.683 0.030 1 906 86 86 PHE HA H 5.091 0.030 1 907 86 86 PHE HB2 H 3.275 0.030 2 908 86 86 PHE HB3 H 2.998 0.030 2 909 86 86 PHE HD1 H 7.110 0.030 1 910 86 86 PHE HD2 H 7.110 0.030 1 911 86 86 PHE HE1 H 6.805 0.030 1 912 86 86 PHE HE2 H 6.805 0.030 1 913 86 86 PHE HZ H 6.460 0.030 1 914 86 86 PHE C C 173.862 0.300 1 915 86 86 PHE CA C 56.688 0.300 1 916 86 86 PHE CB C 43.240 0.300 1 917 86 86 PHE CD1 C 132.800 0.300 1 918 86 86 PHE CD2 C 132.800 0.300 1 919 86 86 PHE CE1 C 129.804 0.300 1 920 86 86 PHE CE2 C 129.804 0.300 1 921 86 86 PHE CZ C 128.447 0.300 1 922 86 86 PHE N N 118.221 0.300 1 923 87 87 GLU H H 8.958 0.030 1 924 87 87 GLU HA H 4.764 0.030 1 925 87 87 GLU HB2 H 1.997 0.030 2 926 87 87 GLU HB3 H 1.897 0.030 2 927 87 87 GLU HG2 H 1.851 0.030 2 928 87 87 GLU HG3 H 1.750 0.030 2 929 87 87 GLU C C 173.934 0.300 1 930 87 87 GLU CA C 57.594 0.300 1 931 87 87 GLU CB C 31.593 0.300 1 932 87 87 GLU CG C 37.525 0.300 1 933 87 87 GLU N N 122.879 0.300 1 934 88 88 GLU H H 9.262 0.030 1 935 88 88 GLU HA H 4.552 0.030 1 936 88 88 GLU HB2 H 1.645 0.030 2 937 88 88 GLU HB3 H 1.542 0.030 2 938 88 88 GLU HG2 H 1.917 0.030 2 939 88 88 GLU HG3 H 2.145 0.030 2 940 88 88 GLU C C 173.102 0.300 1 941 88 88 GLU CA C 54.075 0.300 1 942 88 88 GLU CB C 34.404 0.300 1 943 88 88 GLU CG C 36.539 0.300 1 944 88 88 GLU N N 126.686 0.300 1 945 89 89 GLU H H 8.238 0.030 1 946 89 89 GLU HA H 4.875 0.030 1 947 89 89 GLU HB2 H 1.770 0.030 2 948 89 89 GLU HB3 H 1.663 0.030 2 949 89 89 GLU HG2 H 2.058 0.030 2 950 89 89 GLU HG3 H 2.095 0.030 2 951 89 89 GLU C C 174.871 0.300 1 952 89 89 GLU CA C 54.638 0.300 1 953 89 89 GLU CB C 32.673 0.300 1 954 89 89 GLU CG C 36.867 0.300 1 955 89 89 GLU N N 120.881 0.300 1 956 90 90 PHE H H 9.224 0.030 1 957 90 90 PHE HA H 4.632 0.030 1 958 90 90 PHE HB2 H 2.568 0.030 2 959 90 90 PHE HB3 H 2.710 0.030 2 960 90 90 PHE HD1 H 7.067 0.030 1 961 90 90 PHE HD2 H 7.067 0.030 1 962 90 90 PHE HE1 H 6.879 0.030 1 963 90 90 PHE HE2 H 6.879 0.030 1 964 90 90 PHE HZ H 6.539 0.030 1 965 90 90 PHE C C 174.078 0.300 1 966 90 90 PHE CA C 57.253 0.300 1 967 90 90 PHE CB C 40.900 0.300 1 968 90 90 PHE CD1 C 132.090 0.300 1 969 90 90 PHE CD2 C 132.090 0.300 1 970 90 90 PHE CE1 C 130.518 0.300 1 971 90 90 PHE CE2 C 130.518 0.300 1 972 90 90 PHE CZ C 129.557 0.300 1 973 90 90 PHE N N 124.029 0.300 1 974 91 91 LEU H H 8.879 0.030 1 975 91 91 LEU HA H 5.007 0.030 1 976 91 91 LEU HB2 H 1.800 0.030 2 977 91 91 LEU HB3 H 1.255 0.030 2 978 91 91 LEU HD1 H 0.889 0.030 1 979 91 91 LEU HD2 H 0.778 0.030 1 980 91 91 LEU HG H 1.589 0.030 1 981 91 91 LEU C C 175.984 0.300 1 982 91 91 LEU CA C 53.723 0.300 1 983 91 91 LEU CB C 43.723 0.300 1 984 91 91 LEU CD1 C 25.185 0.300 2 985 91 91 LEU CD2 C 23.491 0.300 2 986 91 91 LEU CG C 27.363 0.300 1 987 91 91 LEU N N 121.765 0.300 1 988 92 92 VAL H H 9.343 0.030 1 989 92 92 VAL HA H 4.409 0.030 1 990 92 92 VAL HB H 2.102 0.030 1 991 92 92 VAL HG1 H 0.734 0.030 1 992 92 92 VAL HG2 H 0.920 0.030 1 993 92 92 VAL C C 174.918 0.300 1 994 92 92 VAL CA C 61.605 0.300 1 995 92 92 VAL CB C 33.167 0.300 1 996 92 92 VAL CG1 C 22.024 0.300 2 997 92 92 VAL CG2 C 21.377 0.300 2 998 92 92 VAL N N 123.959 0.300 1 999 93 93 ASN H H 8.848 0.030 1 1000 93 93 ASN HA H 4.897 0.030 1 1001 93 93 ASN HB2 H 2.729 0.030 1 1002 93 93 ASN HB3 H 2.729 0.030 1 1003 93 93 ASN HD21 H 7.308 0.030 2 1004 93 93 ASN HD22 H 7.012 0.030 2 1005 93 93 ASN C C 174.558 0.300 1 1006 93 93 ASN CA C 52.958 0.300 1 1007 93 93 ASN CB C 40.368 0.300 1 1008 93 93 ASN N N 125.607 0.300 1 1009 93 93 ASN ND2 N 114.525 0.300 1 1010 94 94 VAL H H 9.241 0.030 1 1011 94 94 VAL HA H 4.890 0.030 1 1012 94 94 VAL HB H 1.964 0.030 1 1013 94 94 VAL HG1 H 0.840 0.030 1 1014 94 94 VAL HG2 H 0.890 0.030 1 1015 94 94 VAL C C 176.119 0.300 1 1016 94 94 VAL CA C 60.233 0.300 1 1017 94 94 VAL CB C 34.137 0.300 1 1018 94 94 VAL CG1 C 21.319 0.300 2 1019 94 94 VAL CG2 C 21.319 0.300 2 1020 94 94 VAL N N 123.642 0.300 1 1021 95 95 ASN H H 8.787 0.030 1 1022 95 95 ASN HA H 4.420 0.030 1 1023 95 95 ASN HB2 H 2.954 0.030 2 1024 95 95 ASN HB3 H 2.878 0.030 2 1025 95 95 ASN HD21 H 7.074 0.030 2 1026 95 95 ASN HD22 H 7.727 0.030 2 1027 95 95 ASN C C 176.289 0.300 1 1028 95 95 ASN CA C 55.342 0.300 1 1029 95 95 ASN CB C 38.121 0.300 1 1030 95 95 ASN N N 125.963 0.300 1 1031 95 95 ASN ND2 N 112.897 0.300 1 1032 96 96 GLY H H 8.882 0.030 1 1033 96 96 GLY HA2 H 3.729 0.030 2 1034 96 96 GLY HA3 H 4.200 0.030 2 1035 96 96 GLY C C 174.066 0.300 1 1036 96 96 GLY CA C 45.490 0.300 1 1037 96 96 GLY N N 111.411 0.300 1 1038 97 97 SER H H 7.993 0.030 1 1039 97 97 SER HA H 5.102 0.030 1 1040 97 97 SER HB2 H 3.979 0.030 2 1041 97 97 SER HB3 H 3.857 0.030 2 1042 97 97 SER C C 174.468 0.300 1 1043 97 97 SER CA C 54.744 0.300 1 1044 97 97 SER CB C 64.333 0.300 1 1045 97 97 SER N N 115.711 0.300 1 1046 98 98 PRO HA H 4.540 0.030 1 1047 98 98 PRO HB2 H 2.098 0.030 2 1048 98 98 PRO HB3 H 2.305 0.030 2 1049 98 98 PRO HD2 H 4.010 0.030 2 1050 98 98 PRO HD3 H 3.870 0.030 2 1051 98 98 PRO HG2 H 2.051 0.030 2 1052 98 98 PRO HG3 H 2.096 0.030 2 1053 98 98 PRO C C 176.288 0.300 1 1054 98 98 PRO CA C 63.997 0.300 1 1055 98 98 PRO CB C 32.345 0.300 1 1056 98 98 PRO CD C 51.094 0.300 1 1057 98 98 PRO CG C 26.835 0.300 1 1058 99 99 GLU H H 7.673 0.030 1 1059 99 99 GLU HA H 4.903 0.030 1 1060 99 99 GLU HB2 H 1.905 0.030 2 1061 99 99 GLU HB3 H 2.041 0.030 2 1062 99 99 GLU HG2 H 2.256 0.030 1 1063 99 99 GLU HG3 H 2.256 0.030 1 1064 99 99 GLU C C 174.492 0.300 1 1065 99 99 GLU CA C 53.125 0.300 1 1066 99 99 GLU CB C 30.700 0.300 1 1067 99 99 GLU CG C 35.816 0.300 1 1068 99 99 GLU N N 118.610 0.300 1 1069 100 100 PRO HA H 4.887 0.030 1 1070 100 100 PRO HB2 H 1.697 0.030 2 1071 100 100 PRO HB3 H 2.217 0.030 2 1072 100 100 PRO HD2 H 3.825 0.030 2 1073 100 100 PRO HD3 H 3.937 0.030 2 1074 100 100 PRO HG2 H 1.910 0.030 2 1075 100 100 PRO HG3 H 2.109 0.030 2 1076 100 100 PRO C C 176.343 0.300 1 1077 100 100 PRO CA C 62.485 0.300 1 1078 100 100 PRO CB C 32.756 0.300 1 1079 100 100 PRO CD C 50.766 0.300 1 1080 100 100 PRO CG C 26.808 0.300 1 1081 101 101 VAL H H 9.013 0.030 1 1082 101 101 VAL HA H 4.201 0.030 1 1083 101 101 VAL HB H 1.895 0.030 1 1084 101 101 VAL HG1 H 0.935 0.030 1 1085 101 101 VAL HG2 H 0.866 0.030 1 1086 101 101 VAL C C 174.981 0.300 1 1087 101 101 VAL CA C 62.344 0.300 1 1088 101 101 VAL CB C 33.085 0.300 1 1089 101 101 VAL CG1 C 22.170 0.300 2 1090 101 101 VAL CG2 C 21.506 0.300 2 1091 101 101 VAL N N 122.672 0.300 1 1092 102 102 LYS H H 8.522 0.030 1 1093 102 102 LYS HA H 5.350 0.030 1 1094 102 102 LYS HB2 H 1.636 0.030 2 1095 102 102 LYS HB3 H 1.712 0.030 2 1096 102 102 LYS HD2 H 1.552 0.030 1 1097 102 102 LYS HD3 H 1.552 0.030 1 1098 102 102 LYS HE2 H 2.776 0.030 2 1099 102 102 LYS HE3 H 2.875 0.030 2 1100 102 102 LYS HG2 H 1.246 0.030 2 1101 102 102 LYS HG3 H 1.312 0.030 2 1102 102 102 LYS C C 174.985 0.300 1 1103 102 102 LYS CA C 55.776 0.300 1 1104 102 102 LYS CB C 35.716 0.300 1 1105 102 102 LYS CD C 29.418 0.300 1 1106 102 102 LYS CE C 41.884 0.300 1 1107 102 102 LYS CG C 25.190 0.300 1 1108 102 102 LYS N N 126.912 0.300 1 1109 103 103 LEU H H 8.839 0.030 1 1110 103 103 LEU HA H 4.590 0.030 1 1111 103 103 LEU HB2 H 0.819 0.030 2 1112 103 103 LEU HB3 H 1.323 0.030 2 1113 103 103 LEU HD1 H 0.339 0.030 1 1114 103 103 LEU HD2 H 0.172 0.030 1 1115 103 103 LEU HG H 1.095 0.030 1 1116 103 103 LEU C C 174.859 0.300 1 1117 103 103 LEU CA C 53.829 0.300 1 1118 103 103 LEU CB C 45.502 0.300 1 1119 103 103 LEU CD1 C 22.481 0.300 2 1120 103 103 LEU CD2 C 25.601 0.300 2 1121 103 103 LEU CG C 27.082 0.300 1 1122 103 103 LEU N N 125.932 0.300 1 1123 104 104 THR H H 8.067 0.030 1 1124 104 104 THR HA H 5.313 0.030 1 1125 104 104 THR HB H 3.900 0.030 1 1126 104 104 THR HG2 H 0.996 0.030 1 1127 104 104 THR C C 173.106 0.300 1 1128 104 104 THR CA C 61.971 0.300 1 1129 104 104 THR CB C 69.959 0.300 1 1130 104 104 THR CG2 C 21.505 0.300 1 1131 104 104 THR N N 123.479 0.300 1 1132 105 105 ILE H H 9.279 0.030 1 1133 105 105 ILE HA H 5.234 0.030 1 1134 105 105 ILE HB H 1.452 0.030 1 1135 105 105 ILE HD1 H 0.208 0.030 1 1136 105 105 ILE HG12 H 0.791 0.030 2 1137 105 105 ILE HG13 H 1.528 0.030 2 1138 105 105 ILE HG2 H 0.802 0.030 1 1139 105 105 ILE C C 173.897 0.300 1 1140 105 105 ILE CA C 60.057 0.300 1 1141 105 105 ILE CB C 39.992 0.300 1 1142 105 105 ILE CD1 C 13.576 0.300 1 1143 105 105 ILE CG1 C 27.128 0.300 1 1144 105 105 ILE CG2 C 17.685 0.300 1 1145 105 105 ILE N N 125.555 0.300 1 1146 106 106 ARG H H 8.933 0.030 1 1147 106 106 ARG HA H 4.933 0.030 1 1148 106 106 ARG HB2 H 1.503 0.030 2 1149 106 106 ARG HB3 H 1.713 0.030 2 1150 106 106 ARG HD2 H 3.038 0.030 2 1151 106 106 ARG HD3 H 2.984 0.030 2 1152 106 106 ARG HE H 7.289 0.030 1 1153 106 106 ARG HG2 H 1.441 0.030 2 1154 106 106 ARG HG3 H 1.383 0.030 2 1155 106 106 ARG C C 172.851 0.300 1 1156 106 106 ARG CA C 53.231 0.300 1 1157 106 106 ARG CB C 35.521 0.300 1 1158 106 106 ARG CD C 44.022 0.300 1 1159 106 106 ARG CG C 26.595 0.300 1 1160 106 106 ARG N N 126.337 0.300 1 1161 106 106 ARG NE N 83.476 0.300 1 1162 107 107 GLY H H 6.546 0.030 1 1163 107 107 GLY HA2 H 3.350 0.030 2 1164 107 107 GLY HA3 H 3.801 0.030 2 1165 107 107 GLY C C 171.257 0.300 1 1166 107 107 GLY CA C 45.842 0.300 1 1167 107 107 GLY N N 105.251 0.300 1 1168 108 108 CYS H H 8.241 0.030 1 1169 108 108 CYS HA H 4.863 0.030 1 1170 108 108 CYS HB2 H 2.460 0.030 2 1171 108 108 CYS HB3 H 2.761 0.030 2 1172 108 108 CYS C C 172.978 0.300 1 1173 108 108 CYS CA C 57.840 0.300 1 1174 108 108 CYS CB C 28.964 0.300 1 1175 108 108 CYS N N 120.081 0.300 1 1176 109 109 VAL H H 8.181 0.030 1 1177 109 109 VAL HA H 5.091 0.030 1 1178 109 109 VAL HB H 2.697 0.030 1 1179 109 109 VAL HG1 H 0.740 0.030 1 1180 109 109 VAL HG2 H 1.211 0.030 1 1181 109 109 VAL C C 177.071 0.300 1 1182 109 109 VAL CA C 61.253 0.300 1 1183 109 109 VAL CB C 32.098 0.300 1 1184 109 109 VAL CG1 C 21.483 0.300 2 1185 109 109 VAL CG2 C 21.466 0.300 2 1186 109 109 VAL N N 130.145 0.300 1 1187 110 110 ILE H H 9.085 0.030 1 1188 110 110 ILE HA H 4.697 0.030 1 1189 110 110 ILE HB H 1.972 0.030 1 1190 110 110 ILE HD1 H 0.702 0.030 1 1191 110 110 ILE HG12 H 0.707 0.030 2 1192 110 110 ILE HG13 H 1.255 0.030 2 1193 110 110 ILE HG2 H 0.896 0.030 1 1194 110 110 ILE C C 174.256 0.300 1 1195 110 110 ILE CA C 59.529 0.300 1 1196 110 110 ILE CB C 41.390 0.300 1 1197 110 110 ILE CD1 C 13.985 0.300 1 1198 110 110 ILE CG1 C 25.952 0.300 1 1199 110 110 ILE CG2 C 18.940 0.300 1 1200 110 110 ILE N N 124.689 0.300 1 1201 111 111 GLY H H 8.396 0.030 1 1202 111 111 GLY HA2 H 3.726 0.030 2 1203 111 111 GLY HA3 H 4.360 0.030 2 1204 111 111 GLY C C 170.785 0.300 1 1205 111 111 GLY CA C 44.012 0.300 1 1206 111 111 GLY N N 109.618 0.300 1 1207 112 112 PRO HA H 4.365 0.030 1 1208 112 112 PRO HB2 H 2.153 0.030 2 1209 112 112 PRO HB3 H 1.940 0.030 2 1210 112 112 PRO HD2 H 3.634 0.030 2 1211 112 112 PRO HD3 H 3.528 0.030 2 1212 112 112 PRO HG2 H 1.999 0.030 1 1213 112 112 PRO HG3 H 1.999 0.030 1 1214 112 112 PRO CA C 64.682 0.300 1 1215 112 112 PRO CB C 32.409 0.300 1 1216 112 112 PRO CD C 49.527 0.300 1 1217 112 112 PRO CG C 27.140 0.300 1 stop_ save_