data_10147 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the CH domain from human Sperm flagellar protein 1 ; _BMRB_accession_number 10147 _BMRB_flat_file_name bmr10147.str _Entry_type new _Submission_date 2007-12-04 _Accession_date 2007-12-05 _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 Tomizawa T. . . 2 Koshiba S. . . 3 Watanabe S. . . 4 Harada T. . . 5 Kigawa T. . . 6 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" 766 "13C chemical shifts" 557 "15N chemical shifts" 124 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-12-10 original author . stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of the CH domain from human Sperm flagellar protein 1' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Tomizawa T. . . 2 Koshiba S. . . 3 Watanabe S. . . 4 Harada T. . . 5 Kigawa T. . . 6 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 'Sperm flagellar protein 1' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Sperm flagellar protein 1' $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 'CH domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 127 _Mol_residue_sequence ; GSSGSSGMASSVDEEALHQL YLWVDNIPLSRPKRNLSRDF SDGVLVAEVIKFYFPKMVEM HNYVPANSLQQKLSNWGHLN RKVLKRLNFSVPDDVMRKIA QCAPGVVELVLIPLRQRLEE RQRRRKQ ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 MET 9 ALA 10 SER 11 SER 12 VAL 13 ASP 14 GLU 15 GLU 16 ALA 17 LEU 18 HIS 19 GLN 20 LEU 21 TYR 22 LEU 23 TRP 24 VAL 25 ASP 26 ASN 27 ILE 28 PRO 29 LEU 30 SER 31 ARG 32 PRO 33 LYS 34 ARG 35 ASN 36 LEU 37 SER 38 ARG 39 ASP 40 PHE 41 SER 42 ASP 43 GLY 44 VAL 45 LEU 46 VAL 47 ALA 48 GLU 49 VAL 50 ILE 51 LYS 52 PHE 53 TYR 54 PHE 55 PRO 56 LYS 57 MET 58 VAL 59 GLU 60 MET 61 HIS 62 ASN 63 TYR 64 VAL 65 PRO 66 ALA 67 ASN 68 SER 69 LEU 70 GLN 71 GLN 72 LYS 73 LEU 74 SER 75 ASN 76 TRP 77 GLY 78 HIS 79 LEU 80 ASN 81 ARG 82 LYS 83 VAL 84 LEU 85 LYS 86 ARG 87 LEU 88 ASN 89 PHE 90 SER 91 VAL 92 PRO 93 ASP 94 ASP 95 VAL 96 MET 97 ARG 98 LYS 99 ILE 100 ALA 101 GLN 102 CYS 103 ALA 104 PRO 105 GLY 106 VAL 107 VAL 108 GLU 109 LEU 110 VAL 111 LEU 112 ILE 113 PRO 114 LEU 115 ARG 116 GLN 117 ARG 118 LEU 119 GLU 120 GLU 121 ARG 122 GLN 123 ARG 124 ARG 125 ARG 126 LYS 127 GLN 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 2EE7 "Solution Structure Of The Ch Domain From Human Sperm Flagellar Protein 1" 100.00 127 100.00 100.00 1.01e-86 DBJ BAG36504 "unnamed protein product [Homo sapiens]" 94.49 162 99.17 100.00 2.38e-80 EMBL CAB45745 "hypothetical protein [Homo sapiens]" 94.49 162 100.00 100.00 8.35e-81 GB AAH22476 "SPEF1 protein [Homo sapiens]" 94.49 162 100.00 100.00 8.35e-81 GB ABQ59055 "C20orf28 protein [Homo sapiens]" 94.49 236 100.00 100.00 3.41e-80 GB ADZ15948 "sperm flagellar 1 [synthetic construct]" 94.49 162 100.00 100.00 8.35e-81 GB AIC59905 "SPEF1, partial [synthetic construct]" 94.49 157 100.00 100.00 6.64e-81 GB EAX10503 "chromosome 20 open reading frame 28, isoform CRA_a [Homo sapiens]" 94.49 236 100.00 100.00 3.41e-80 REF NP_001181610 "sperm flagellar protein 1 [Macaca mulatta]" 94.49 236 99.17 100.00 3.84e-80 REF NP_056232 "sperm flagellar protein 1 [Homo sapiens]" 94.49 236 100.00 100.00 3.41e-80 REF XP_001161874 "PREDICTED: sperm flagellar protein 1 [Pan troglodytes]" 94.49 236 99.17 100.00 1.10e-79 REF XP_003821360 "PREDICTED: sperm flagellar protein 1 [Pan paniscus]" 94.49 236 99.17 100.00 1.10e-79 REF XP_003905065 "PREDICTED: sperm flagellar protein 1 isoform X2 [Papio anubis]" 94.49 236 98.33 100.00 1.07e-79 SP Q9Y4P9 "RecName: Full=Sperm flagellar protein 1" 94.49 236 100.00 100.00 3.41e-80 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 P060522-17 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 1.22 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 topspin _Version 1.3 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version 20060524 loop_ _Vendor _Address _Electronic_address 'Delaglio, F' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_3 _Saveframe_category software _Name NMRview _Version 5.0.4 loop_ _Vendor _Address _Electronic_address 'Johnson, B.A.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name kujira _Version 0.9823 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name CYANA _Version 2.0.17 loop_ _Vendor _Address _Electronic_address 'Guentert, P.' . . stop_ loop_ _Task 'structure solution' refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'AVANCE II' _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_13C-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ save_3D_15N-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 120 0.1 mM pH 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 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 'Sperm flagellar protein 1' _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 CA C 58.715 0.300 1 2 6 6 SER HA H 4.472 0.030 1 3 6 6 SER CB C 63.934 0.300 1 4 6 6 SER HB2 H 3.906 0.030 1 5 6 6 SER HB3 H 3.906 0.030 1 6 6 6 SER C C 174.927 0.300 1 7 7 7 GLY N N 110.435 0.300 1 8 7 7 GLY H H 8.348 0.030 1 9 7 7 GLY CA C 45.364 0.300 1 10 7 7 GLY HA2 H 3.919 0.030 1 11 7 7 GLY HA3 H 3.919 0.030 1 12 7 7 GLY C C 173.952 0.300 1 13 8 8 MET N N 119.481 0.300 1 14 8 8 MET H H 8.163 0.030 1 15 8 8 MET CA C 55.472 0.300 1 16 8 8 MET HA H 4.486 0.030 1 17 8 8 MET CB C 33.598 0.300 1 18 8 8 MET HB2 H 1.982 0.030 2 19 8 8 MET HB3 H 2.080 0.030 2 20 8 8 MET CG C 31.994 0.300 1 21 8 8 MET HG2 H 2.531 0.030 2 22 8 8 MET HG3 H 2.562 0.030 2 23 8 8 MET CE C 17.303 0.300 1 24 8 8 MET HE H 2.062 0.030 1 25 8 8 MET C C 176.019 0.300 1 26 9 9 ALA N N 125.433 0.300 1 27 9 9 ALA H H 8.436 0.030 1 28 9 9 ALA CA C 52.481 0.300 1 29 9 9 ALA HA H 4.381 0.030 1 30 9 9 ALA CB C 19.322 0.300 1 31 9 9 ALA HB H 1.420 0.030 1 32 9 9 ALA C C 177.349 0.300 1 33 10 10 SER N N 114.383 0.300 1 34 10 10 SER H H 8.372 0.030 1 35 10 10 SER CA C 58.607 0.300 1 36 10 10 SER HA H 4.470 0.030 1 37 10 10 SER CB C 63.979 0.300 1 38 10 10 SER HB2 H 3.850 0.030 2 39 10 10 SER HB3 H 3.901 0.030 2 40 10 10 SER C C 174.323 0.300 1 41 11 11 SER N N 116.549 0.300 1 42 11 11 SER H H 8.111 0.030 1 43 11 11 SER CA C 58.189 0.300 1 44 11 11 SER HA H 4.487 0.030 1 45 11 11 SER CB C 64.081 0.300 1 46 11 11 SER HB2 H 3.861 0.030 1 47 11 11 SER HB3 H 3.861 0.030 1 48 11 11 SER C C 173.692 0.300 1 49 12 12 VAL N N 120.502 0.300 1 50 12 12 VAL H H 8.207 0.030 1 51 12 12 VAL CA C 61.847 0.300 1 52 12 12 VAL HA H 4.150 0.030 1 53 12 12 VAL CB C 33.269 0.300 1 54 12 12 VAL HB H 1.988 0.030 1 55 12 12 VAL CG1 C 20.614 0.300 2 56 12 12 VAL HG1 H 0.831 0.030 1 57 12 12 VAL CG2 C 21.599 0.300 2 58 12 12 VAL HG2 H 0.851 0.030 1 59 12 12 VAL C C 174.930 0.300 1 60 13 13 ASP N N 124.104 0.300 1 61 13 13 ASP H H 7.953 0.030 1 62 13 13 ASP CA C 53.249 0.300 1 63 13 13 ASP HA H 4.661 0.030 1 64 13 13 ASP CB C 41.891 0.300 1 65 13 13 ASP HB2 H 2.923 0.030 2 66 13 13 ASP HB3 H 2.730 0.030 2 67 13 13 ASP C C 176.009 0.300 1 68 14 14 GLU N N 120.197 0.300 1 69 14 14 GLU H H 8.568 0.030 1 70 14 14 GLU CA C 59.932 0.300 1 71 14 14 GLU HA H 3.944 0.030 1 72 14 14 GLU CB C 29.670 0.300 1 73 14 14 GLU HB2 H 2.051 0.030 1 74 14 14 GLU HB3 H 2.051 0.030 1 75 14 14 GLU CG C 36.579 0.300 1 76 14 14 GLU HG2 H 2.287 0.030 2 77 14 14 GLU HG3 H 2.354 0.030 2 78 14 14 GLU C C 178.863 0.300 1 79 15 15 GLU N N 120.713 0.300 1 80 15 15 GLU H H 8.312 0.030 1 81 15 15 GLU CA C 59.101 0.300 1 82 15 15 GLU HA H 4.244 0.030 1 83 15 15 GLU CB C 28.917 0.300 1 84 15 15 GLU HB2 H 2.034 0.030 2 85 15 15 GLU HB3 H 2.106 0.030 2 86 15 15 GLU CG C 35.988 0.300 1 87 15 15 GLU HG2 H 2.333 0.030 1 88 15 15 GLU HG3 H 2.333 0.030 1 89 15 15 GLU C C 178.511 0.300 1 90 16 16 ALA N N 123.041 0.300 1 91 16 16 ALA H H 8.047 0.030 1 92 16 16 ALA CA C 54.830 0.300 1 93 16 16 ALA HA H 4.093 0.030 1 94 16 16 ALA CB C 18.371 0.300 1 95 16 16 ALA HB H 1.473 0.030 1 96 16 16 ALA C C 181.428 0.300 1 97 17 17 LEU N N 119.436 0.300 1 98 17 17 LEU H H 8.042 0.030 1 99 17 17 LEU CA C 57.623 0.300 1 100 17 17 LEU HA H 3.838 0.030 1 101 17 17 LEU CB C 41.323 0.300 1 102 17 17 LEU HB2 H 1.726 0.030 2 103 17 17 LEU HB3 H 1.509 0.030 2 104 17 17 LEU CG C 26.685 0.300 1 105 17 17 LEU HG H 1.573 0.030 1 106 17 17 LEU CD1 C 24.757 0.300 2 107 17 17 LEU HD1 H 0.855 0.030 1 108 17 17 LEU CD2 C 23.610 0.300 2 109 17 17 LEU HD2 H 0.826 0.030 1 110 17 17 LEU C C 177.590 0.300 1 111 18 18 HIS N N 118.394 0.300 1 112 18 18 HIS H H 8.182 0.030 1 113 18 18 HIS CA C 59.415 0.300 1 114 18 18 HIS HA H 4.435 0.030 1 115 18 18 HIS CB C 29.560 0.300 1 116 18 18 HIS HB2 H 3.307 0.030 2 117 18 18 HIS HB3 H 3.412 0.030 2 118 18 18 HIS CD2 C 119.916 0.300 1 119 18 18 HIS HD2 H 7.144 0.030 1 120 18 18 HIS CE1 C 137.727 0.300 1 121 18 18 HIS HE1 H 8.137 0.030 1 122 18 18 HIS C C 178.114 0.300 1 123 19 19 GLN N N 115.623 0.300 1 124 19 19 GLN H H 8.178 0.030 1 125 19 19 GLN CA C 58.406 0.300 1 126 19 19 GLN HA H 3.904 0.030 1 127 19 19 GLN CB C 28.118 0.300 1 128 19 19 GLN HB2 H 2.118 0.030 1 129 19 19 GLN HB3 H 2.118 0.030 1 130 19 19 GLN CG C 33.722 0.300 1 131 19 19 GLN HG2 H 2.571 0.030 1 132 19 19 GLN HG3 H 2.571 0.030 1 133 19 19 GLN NE2 N 113.530 0.300 1 134 19 19 GLN HE21 H 6.893 0.030 2 135 19 19 GLN HE22 H 7.835 0.030 2 136 19 19 GLN C C 179.132 0.300 1 137 20 20 LEU N N 122.817 0.300 1 138 20 20 LEU H H 7.949 0.030 1 139 20 20 LEU CA C 58.278 0.300 1 140 20 20 LEU HA H 4.233 0.030 1 141 20 20 LEU CB C 40.850 0.300 1 142 20 20 LEU HB2 H 1.580 0.030 2 143 20 20 LEU HB3 H 2.087 0.030 2 144 20 20 LEU CG C 27.110 0.300 1 145 20 20 LEU HG H 1.571 0.030 1 146 20 20 LEU CD1 C 24.095 0.300 2 147 20 20 LEU HD1 H 0.959 0.030 1 148 20 20 LEU CD2 C 26.057 0.300 2 149 20 20 LEU HD2 H 0.860 0.030 1 150 20 20 LEU C C 178.466 0.300 1 151 21 21 TYR N N 118.825 0.300 1 152 21 21 TYR H H 8.376 0.030 1 153 21 21 TYR CA C 60.605 0.300 1 154 21 21 TYR HA H 4.286 0.030 1 155 21 21 TYR CB C 36.667 0.300 1 156 21 21 TYR HB2 H 3.202 0.030 2 157 21 21 TYR HB3 H 3.143 0.030 2 158 21 21 TYR CD1 C 132.162 0.300 1 159 21 21 TYR HD1 H 7.135 0.030 1 160 21 21 TYR CD2 C 132.162 0.300 1 161 21 21 TYR HD2 H 7.135 0.030 1 162 21 21 TYR CE1 C 117.775 0.300 1 163 21 21 TYR HE1 H 6.801 0.030 1 164 21 21 TYR CE2 C 117.775 0.300 1 165 21 21 TYR HE2 H 6.801 0.030 1 166 21 21 TYR C C 178.654 0.300 1 167 22 22 LEU N N 118.954 0.300 1 168 22 22 LEU H H 7.869 0.030 1 169 22 22 LEU CA C 57.887 0.300 1 170 22 22 LEU HA H 4.076 0.030 1 171 22 22 LEU CB C 42.250 0.300 1 172 22 22 LEU HB2 H 1.788 0.030 2 173 22 22 LEU HB3 H 1.543 0.030 2 174 22 22 LEU CG C 26.564 0.300 1 175 22 22 LEU HG H 1.614 0.030 1 176 22 22 LEU CD1 C 25.112 0.300 2 177 22 22 LEU HD1 H 0.790 0.030 1 178 22 22 LEU CD2 C 23.197 0.300 2 179 22 22 LEU HD2 H 0.879 0.030 1 180 22 22 LEU C C 178.877 0.300 1 181 23 23 TRP N N 120.668 0.300 1 182 23 23 TRP H H 7.804 0.030 1 183 23 23 TRP CA C 60.711 0.300 1 184 23 23 TRP HA H 4.436 0.030 1 185 23 23 TRP CB C 28.035 0.300 1 186 23 23 TRP HB2 H 3.234 0.030 2 187 23 23 TRP HB3 H 3.809 0.030 2 188 23 23 TRP CD1 C 127.545 0.300 1 189 23 23 TRP HD1 H 7.437 0.030 1 190 23 23 TRP NE1 N 130.843 0.300 1 191 23 23 TRP HE1 H 10.482 0.030 1 192 23 23 TRP CE3 C 121.122 0.300 1 193 23 23 TRP HE3 H 7.680 0.030 1 194 23 23 TRP CZ2 C 113.594 0.300 1 195 23 23 TRP HZ2 H 7.193 0.030 1 196 23 23 TRP CZ3 C 120.326 0.300 1 197 23 23 TRP HZ3 H 6.704 0.030 1 198 23 23 TRP CH2 C 122.952 0.300 1 199 23 23 TRP HH2 H 6.717 0.030 1 200 23 23 TRP C C 178.471 0.300 1 201 24 24 VAL N N 116.831 0.300 1 202 24 24 VAL H H 8.503 0.030 1 203 24 24 VAL CA C 66.014 0.300 1 204 24 24 VAL HA H 3.084 0.030 1 205 24 24 VAL CB C 31.826 0.300 1 206 24 24 VAL HB H 2.142 0.030 1 207 24 24 VAL CG1 C 21.953 0.300 2 208 24 24 VAL HG1 H 0.923 0.030 1 209 24 24 VAL CG2 C 22.784 0.300 2 210 24 24 VAL HG2 H 1.013 0.030 1 211 24 24 VAL C C 178.212 0.300 1 212 25 25 ASP N N 117.894 0.300 1 213 25 25 ASP H H 8.140 0.030 1 214 25 25 ASP CA C 57.043 0.300 1 215 25 25 ASP HA H 4.290 0.030 1 216 25 25 ASP CB C 41.067 0.300 1 217 25 25 ASP HB2 H 2.809 0.030 2 218 25 25 ASP HB3 H 2.567 0.030 2 219 25 25 ASP C C 177.163 0.300 1 220 26 26 ASN N N 114.914 0.300 1 221 26 26 ASN H H 7.229 0.030 1 222 26 26 ASN CA C 53.375 0.300 1 223 26 26 ASN HA H 4.607 0.030 1 224 26 26 ASN CB C 40.048 0.300 1 225 26 26 ASN HB2 H 2.888 0.030 2 226 26 26 ASN HB3 H 2.750 0.030 2 227 26 26 ASN ND2 N 113.888 0.300 1 228 26 26 ASN HD21 H 6.927 0.030 2 229 26 26 ASN HD22 H 7.679 0.030 2 230 26 26 ASN C C 174.227 0.300 1 231 27 27 ILE N N 123.268 0.300 1 232 27 27 ILE H H 7.212 0.030 1 233 27 27 ILE CA C 58.327 0.300 1 234 27 27 ILE HA H 3.628 0.030 1 235 27 27 ILE CB C 39.403 0.300 1 236 27 27 ILE HB H 1.349 0.030 1 237 27 27 ILE CG1 C 26.650 0.300 1 238 27 27 ILE HG12 H 0.231 0.030 2 239 27 27 ILE HG13 H 1.116 0.030 2 240 27 27 ILE CG2 C 15.903 0.300 1 241 27 27 ILE HG2 H 0.161 0.030 1 242 27 27 ILE CD1 C 12.961 0.300 1 243 27 27 ILE HD1 H -0.082 0.030 1 244 27 27 ILE C C 173.764 0.300 1 245 28 28 PRO CA C 62.584 0.300 1 246 28 28 PRO HA H 4.354 0.030 1 247 28 28 PRO CB C 30.056 0.300 1 248 28 28 PRO HB2 H 1.914 0.030 1 249 28 28 PRO HB3 H 1.914 0.030 1 250 28 28 PRO CG C 27.652 0.300 1 251 28 28 PRO HG2 H 1.862 0.030 2 252 28 28 PRO HG3 H 1.971 0.030 2 253 28 28 PRO CD C 50.654 0.300 1 254 28 28 PRO HD2 H 3.274 0.030 2 255 28 28 PRO HD3 H 2.692 0.030 2 256 28 28 PRO C C 175.419 0.300 1 257 29 29 LEU N N 125.355 0.300 1 258 29 29 LEU H H 8.118 0.030 1 259 29 29 LEU CA C 53.358 0.300 1 260 29 29 LEU HA H 4.748 0.030 1 261 29 29 LEU CB C 45.279 0.300 1 262 29 29 LEU HB2 H 1.589 0.030 2 263 29 29 LEU HB3 H 1.386 0.030 2 264 29 29 LEU CG C 26.366 0.300 1 265 29 29 LEU HG H 1.593 0.030 1 266 29 29 LEU CD1 C 26.206 0.300 2 267 29 29 LEU HD1 H 0.772 0.030 1 268 29 29 LEU CD2 C 23.949 0.300 2 269 29 29 LEU HD2 H 0.800 0.030 1 270 29 29 LEU C C 178.577 0.300 1 271 31 31 ARG CA C 53.250 0.300 1 272 31 31 ARG HA H 4.787 0.030 1 273 31 31 ARG CB C 32.107 0.300 1 274 31 31 ARG HB2 H 1.972 0.030 2 275 31 31 ARG HB3 H 1.324 0.030 2 276 31 31 ARG CG C 29.626 0.300 1 277 31 31 ARG HG2 H 1.645 0.030 1 278 31 31 ARG HG3 H 1.645 0.030 1 279 31 31 ARG CD C 43.652 0.300 1 280 31 31 ARG HD2 H 2.902 0.030 2 281 31 31 ARG HD3 H 3.174 0.030 2 282 32 32 PRO CA C 62.865 0.300 1 283 32 32 PRO HA H 4.300 0.030 1 284 32 32 PRO CB C 32.193 0.300 1 285 32 32 PRO HB2 H 2.293 0.030 2 286 32 32 PRO HB3 H 1.772 0.030 2 287 32 32 PRO CG C 27.416 0.300 1 288 32 32 PRO HG2 H 1.970 0.030 1 289 32 32 PRO HG3 H 1.970 0.030 1 290 32 32 PRO CD C 50.640 0.300 1 291 32 32 PRO HD2 H 3.743 0.030 2 292 32 32 PRO HD3 H 3.551 0.030 2 293 33 33 LYS CA C 56.154 0.300 1 294 33 33 LYS HA H 4.361 0.030 1 295 33 33 LYS CB C 32.368 0.300 1 296 33 33 LYS HB2 H 1.653 0.030 2 297 33 33 LYS HB3 H 1.820 0.030 2 298 33 33 LYS CG C 24.294 0.300 1 299 33 33 LYS HG2 H 1.323 0.030 2 300 33 33 LYS HG3 H 1.497 0.030 2 301 33 33 LYS CD C 30.211 0.300 1 302 33 33 LYS HD2 H 1.639 0.030 2 303 33 33 LYS HD3 H 1.667 0.030 2 304 33 33 LYS CE C 42.539 0.300 1 305 33 33 LYS HE2 H 2.931 0.030 2 306 33 33 LYS HE3 H 2.988 0.030 2 307 34 34 ARG N N 122.768 0.300 1 308 34 34 ARG H H 8.410 0.030 1 309 34 34 ARG HA H 4.336 0.030 1 310 34 34 ARG CB C 31.894 0.300 1 311 34 34 ARG HB2 H 1.891 0.030 2 312 34 34 ARG CG C 27.436 0.300 1 313 34 34 ARG HG2 H 1.545 0.030 2 314 34 34 ARG HD2 H 3.184 0.030 2 315 35 35 ASN CA C 53.153 0.300 1 316 35 35 ASN HA H 4.771 0.030 1 317 35 35 ASN CB C 39.425 0.300 1 318 35 35 ASN HB2 H 2.784 0.030 1 319 35 35 ASN HB3 H 2.784 0.030 1 320 35 35 ASN ND2 N 112.585 0.300 1 321 35 35 ASN HD21 H 7.762 0.030 2 322 35 35 ASN HD22 H 7.057 0.030 2 323 36 36 LEU N N 110.943 0.300 1 324 36 36 LEU H H 8.305 0.030 1 325 36 36 LEU CA C 60.191 0.300 1 326 36 36 LEU HA H 4.140 0.030 1 327 36 36 LEU CB C 41.876 0.300 1 328 36 36 LEU HB2 H 1.446 0.030 2 329 36 36 LEU HB3 H 1.768 0.030 2 330 36 36 LEU CG C 27.041 0.300 1 331 36 36 LEU HG H 1.635 0.030 1 332 36 36 LEU CD1 C 25.702 0.300 2 333 36 36 LEU HD1 H 0.676 0.030 1 334 36 36 LEU CD2 C 24.773 0.300 2 335 36 36 LEU HD2 H 0.669 0.030 1 336 37 37 SER CA C 61.673 0.300 1 337 37 37 SER HA H 4.080 0.030 1 338 37 37 SER CB C 62.700 0.300 1 339 37 37 SER HB2 H 3.771 0.030 2 340 37 37 SER HB3 H 3.894 0.030 2 341 38 38 ARG N N 119.288 0.300 1 342 38 38 ARG H H 7.773 0.030 1 343 38 38 ARG HA H 4.587 0.030 1 344 38 38 ARG HB2 H 1.787 0.030 2 345 38 38 ARG HB3 H 1.915 0.030 2 346 39 39 ASP N N 121.607 0.300 1 347 39 39 ASP H H 9.487 0.030 1 348 39 39 ASP CA C 58.026 0.300 1 349 39 39 ASP HA H 4.518 0.030 1 350 39 39 ASP CB C 40.039 0.300 1 351 39 39 ASP HB2 H 2.637 0.030 1 352 39 39 ASP HB3 H 2.637 0.030 1 353 40 40 PHE N N 115.310 0.300 1 354 40 40 PHE H H 8.300 0.030 1 355 40 40 PHE CA C 59.420 0.300 1 356 40 40 PHE HA H 4.605 0.030 1 357 40 40 PHE CB C 39.030 0.300 1 358 40 40 PHE HB2 H 3.421 0.030 2 359 40 40 PHE HB3 H 3.372 0.030 2 360 40 40 PHE CD1 C 131.808 0.300 1 361 40 40 PHE HD1 H 7.428 0.030 1 362 40 40 PHE CD2 C 131.808 0.300 1 363 40 40 PHE HD2 H 7.428 0.030 1 364 40 40 PHE CE1 C 131.115 0.300 1 365 40 40 PHE HE1 H 7.071 0.030 1 366 40 40 PHE CE2 C 131.115 0.300 1 367 40 40 PHE HE2 H 7.071 0.030 1 368 40 40 PHE CZ C 128.968 0.300 1 369 40 40 PHE HZ H 6.852 0.030 1 370 41 41 SER N N 115.417 0.300 1 371 41 41 SER H H 7.441 0.030 1 372 41 41 SER CA C 62.290 0.300 1 373 41 41 SER HA H 4.341 0.030 1 374 41 41 SER CB C 64.510 0.300 1 375 41 41 SER HB2 H 4.510 0.030 2 376 41 41 SER HB3 H 4.595 0.030 2 377 42 42 ASP N N 117.563 0.300 1 378 42 42 ASP H H 8.726 0.030 1 379 42 42 ASP CA C 53.746 0.300 1 380 42 42 ASP HA H 4.780 0.030 1 381 42 42 ASP CB C 42.695 0.300 1 382 42 42 ASP HB2 H 3.275 0.030 2 383 42 42 ASP HB3 H 2.894 0.030 2 384 42 42 ASP C C 176.013 0.300 1 385 43 43 GLY N N 106.643 0.300 1 386 43 43 GLY H H 7.388 0.030 1 387 43 43 GLY CA C 45.230 0.300 1 388 43 43 GLY HA2 H 3.131 0.030 2 389 43 43 GLY HA3 H 2.588 0.030 2 390 43 43 GLY C C 173.476 0.300 1 391 44 44 VAL N N 121.300 0.300 1 392 44 44 VAL H H 7.874 0.030 1 393 44 44 VAL CA C 67.198 0.300 1 394 44 44 VAL HA H 3.018 0.030 1 395 44 44 VAL CB C 31.139 0.300 1 396 44 44 VAL HB H 1.976 0.030 1 397 44 44 VAL CG1 C 21.146 0.300 2 398 44 44 VAL HG1 H 0.775 0.030 1 399 44 44 VAL CG2 C 23.131 0.300 2 400 44 44 VAL HG2 H 0.519 0.030 1 401 44 44 VAL C C 177.853 0.300 1 402 45 45 LEU N N 114.495 0.300 1 403 45 45 LEU H H 8.945 0.030 1 404 45 45 LEU CA C 57.466 0.300 1 405 45 45 LEU HA H 3.838 0.030 1 406 45 45 LEU CB C 40.503 0.300 1 407 45 45 LEU HB2 H 0.730 0.030 2 408 45 45 LEU HB3 H 0.784 0.030 2 409 45 45 LEU CG C 26.741 0.300 1 410 45 45 LEU HG H 1.440 0.030 1 411 45 45 LEU CD1 C 22.616 0.300 2 412 45 45 LEU HD1 H 0.525 0.030 1 413 45 45 LEU CD2 C 25.835 0.300 2 414 45 45 LEU HD2 H 0.236 0.030 1 415 45 45 LEU C C 179.257 0.300 1 416 46 46 VAL N N 118.354 0.300 1 417 46 46 VAL H H 7.422 0.030 1 418 46 46 VAL CA C 67.288 0.300 1 419 46 46 VAL HA H 3.469 0.030 1 420 46 46 VAL CB C 30.173 0.300 1 421 46 46 VAL HB H 1.739 0.030 1 422 46 46 VAL CG1 C 21.904 0.300 2 423 46 46 VAL HG1 H 0.717 0.030 1 424 46 46 VAL CG2 C 24.709 0.300 2 425 46 46 VAL HG2 H 1.279 0.030 1 426 46 46 VAL C C 176.954 0.300 1 427 47 47 ALA N N 121.963 0.300 1 428 47 47 ALA H H 7.272 0.030 1 429 47 47 ALA CA C 55.991 0.300 1 430 47 47 ALA HA H 3.576 0.030 1 431 47 47 ALA CB C 17.292 0.300 1 432 47 47 ALA HB H 0.921 0.030 1 433 47 47 ALA C C 178.880 0.300 1 434 48 48 GLU N N 116.763 0.300 1 435 48 48 GLU H H 8.081 0.030 1 436 48 48 GLU CA C 60.605 0.300 1 437 48 48 GLU HA H 3.851 0.030 1 438 48 48 GLU CB C 30.467 0.300 1 439 48 48 GLU HB2 H 2.042 0.030 2 440 48 48 GLU HB3 H 2.128 0.030 2 441 48 48 GLU CG C 37.271 0.300 1 442 48 48 GLU HG2 H 2.575 0.030 2 443 48 48 GLU HG3 H 2.126 0.030 2 444 48 48 GLU C C 180.175 0.300 1 445 49 49 VAL N N 122.024 0.300 1 446 49 49 VAL H H 8.325 0.030 1 447 49 49 VAL CA C 67.146 0.300 1 448 49 49 VAL HA H 3.530 0.030 1 449 49 49 VAL CB C 31.543 0.300 1 450 49 49 VAL HB H 2.463 0.030 1 451 49 49 VAL CG1 C 22.327 0.300 2 452 49 49 VAL HG1 H 0.980 0.030 1 453 49 49 VAL CG2 C 23.421 0.300 2 454 49 49 VAL HG2 H 1.081 0.030 1 455 49 49 VAL C C 177.168 0.300 1 456 50 50 ILE N N 117.821 0.300 1 457 50 50 ILE H H 7.947 0.030 1 458 50 50 ILE CA C 66.217 0.300 1 459 50 50 ILE HA H 3.757 0.030 1 460 50 50 ILE CB C 37.952 0.300 1 461 50 50 ILE HB H 1.814 0.030 1 462 50 50 ILE CG1 C 29.700 0.300 1 463 50 50 ILE HG12 H 2.043 0.030 2 464 50 50 ILE HG13 H 0.942 0.030 2 465 50 50 ILE CG2 C 18.106 0.300 1 466 50 50 ILE HG2 H 0.925 0.030 1 467 50 50 ILE CD1 C 15.563 0.300 1 468 50 50 ILE HD1 H 0.716 0.030 1 469 50 50 ILE C C 177.890 0.300 1 470 51 51 LYS N N 121.589 0.300 1 471 51 51 LYS H H 8.790 0.030 1 472 51 51 LYS CA C 58.277 0.300 1 473 51 51 LYS HA H 3.816 0.030 1 474 51 51 LYS CB C 32.898 0.300 1 475 51 51 LYS HB2 H 2.072 0.030 2 476 51 51 LYS HB3 H 1.778 0.030 2 477 51 51 LYS CG C 25.561 0.300 1 478 51 51 LYS HG2 H 1.601 0.030 1 479 51 51 LYS HG3 H 1.601 0.030 1 480 51 51 LYS CD C 30.231 0.300 1 481 51 51 LYS HD2 H 1.635 0.030 2 482 51 51 LYS HD3 H 1.671 0.030 2 483 51 51 LYS CE C 42.525 0.300 1 484 51 51 LYS HE2 H 3.177 0.030 2 485 51 51 LYS HE3 H 3.027 0.030 2 486 51 51 LYS C C 176.668 0.300 1 487 52 52 PHE N N 117.622 0.300 1 488 52 52 PHE H H 7.768 0.030 1 489 52 52 PHE CA C 60.585 0.300 1 490 52 52 PHE HA H 4.090 0.030 1 491 52 52 PHE CB C 38.775 0.300 1 492 52 52 PHE HB2 H 3.174 0.030 2 493 52 52 PHE HB3 H 3.301 0.030 2 494 52 52 PHE CD1 C 131.931 0.300 1 495 52 52 PHE HD1 H 6.816 0.030 1 496 52 52 PHE CD2 C 131.931 0.300 1 497 52 52 PHE HD2 H 6.816 0.030 1 498 52 52 PHE CE1 C 131.039 0.300 1 499 52 52 PHE HE1 H 7.071 0.030 1 500 52 52 PHE CE2 C 131.039 0.300 1 501 52 52 PHE HE2 H 7.071 0.030 1 502 52 52 PHE CZ C 129.639 0.300 1 503 52 52 PHE HZ H 7.150 0.030 1 504 52 52 PHE C C 176.831 0.300 1 505 53 53 TYR N N 115.876 0.300 1 506 53 53 TYR H H 7.346 0.030 1 507 53 53 TYR CA C 61.264 0.300 1 508 53 53 TYR HA H 3.697 0.030 1 509 53 53 TYR CB C 41.522 0.300 1 510 53 53 TYR HB2 H 2.832 0.030 2 511 53 53 TYR HB3 H 2.079 0.030 2 512 53 53 TYR CD1 C 134.027 0.300 1 513 53 53 TYR HD1 H 7.346 0.030 1 514 53 53 TYR CD2 C 134.027 0.300 1 515 53 53 TYR HD2 H 7.346 0.030 1 516 53 53 TYR CE1 C 117.898 0.300 1 517 53 53 TYR HE1 H 6.925 0.030 1 518 53 53 TYR CE2 C 117.898 0.300 1 519 53 53 TYR HE2 H 6.925 0.030 1 520 53 53 TYR C C 175.972 0.300 1 521 54 54 PHE N N 116.478 0.300 1 522 54 54 PHE H H 8.877 0.030 1 523 54 54 PHE CA C 55.553 0.300 1 524 54 54 PHE HA H 5.173 0.030 1 525 54 54 PHE CB C 40.841 0.300 1 526 54 54 PHE HB2 H 2.849 0.030 2 527 54 54 PHE HB3 H 3.228 0.030 2 528 54 54 PHE CD1 C 133.214 0.300 1 529 54 54 PHE HD1 H 7.351 0.030 1 530 54 54 PHE CD2 C 133.214 0.300 1 531 54 54 PHE HD2 H 7.351 0.030 1 532 54 54 PHE CE1 C 130.374 0.300 1 533 54 54 PHE HE1 H 7.347 0.030 1 534 54 54 PHE CE2 C 130.374 0.300 1 535 54 54 PHE HE2 H 7.347 0.030 1 536 54 54 PHE CZ C 128.965 0.300 1 537 54 54 PHE HZ H 7.188 0.030 1 538 54 54 PHE C C 173.424 0.300 1 539 55 55 PRO CA C 65.147 0.300 1 540 55 55 PRO HA H 4.591 0.030 1 541 55 55 PRO CB C 32.014 0.300 1 542 55 55 PRO HB2 H 2.451 0.030 2 543 55 55 PRO HB3 H 2.001 0.030 2 544 55 55 PRO CG C 27.230 0.300 1 545 55 55 PRO HG2 H 2.100 0.030 2 546 55 55 PRO HG3 H 2.013 0.030 2 547 55 55 PRO CD C 50.099 0.300 1 548 55 55 PRO HD2 H 3.321 0.030 2 549 55 55 PRO HD3 H 3.817 0.030 2 550 55 55 PRO C C 179.255 0.300 1 551 56 56 LYS N N 113.672 0.300 1 552 56 56 LYS H H 8.639 0.030 1 553 56 56 LYS CA C 56.918 0.300 1 554 56 56 LYS HA H 4.384 0.030 1 555 56 56 LYS CB C 31.868 0.300 1 556 56 56 LYS HB2 H 1.924 0.030 2 557 56 56 LYS HB3 H 1.999 0.030 2 558 56 56 LYS CG C 25.617 0.300 1 559 56 56 LYS HG2 H 1.500 0.030 2 560 56 56 LYS HG3 H 1.603 0.030 2 561 56 56 LYS CD C 28.942 0.300 1 562 56 56 LYS HD2 H 1.736 0.030 1 563 56 56 LYS HD3 H 1.736 0.030 1 564 56 56 LYS CE C 42.167 0.300 1 565 56 56 LYS HE2 H 3.026 0.030 1 566 56 56 LYS HE3 H 3.026 0.030 1 567 56 56 LYS C C 178.220 0.300 1 568 57 57 MET N N 116.692 0.300 1 569 57 57 MET H H 8.099 0.030 1 570 57 57 MET CA C 57.537 0.300 1 571 57 57 MET HA H 4.260 0.030 1 572 57 57 MET CB C 35.400 0.300 1 573 57 57 MET HB2 H 2.179 0.030 2 574 57 57 MET HB3 H 2.272 0.030 2 575 57 57 MET CG C 33.786 0.300 1 576 57 57 MET HG2 H 2.568 0.030 2 577 57 57 MET HG3 H 2.608 0.030 2 578 57 57 MET CE C 17.133 0.300 1 579 57 57 MET HE H 1.732 0.030 1 580 57 57 MET C C 174.856 0.300 1 581 58 58 VAL N N 114.727 0.300 1 582 58 58 VAL H H 6.872 0.030 1 583 58 58 VAL CA C 60.834 0.300 1 584 58 58 VAL HA H 4.421 0.030 1 585 58 58 VAL CB C 36.223 0.300 1 586 58 58 VAL HB H 1.699 0.030 1 587 58 58 VAL CG1 C 22.642 0.300 2 588 58 58 VAL HG1 H 0.994 0.030 1 589 58 58 VAL CG2 C 21.199 0.300 2 590 58 58 VAL HG2 H 0.960 0.030 1 591 58 58 VAL C C 173.747 0.300 1 592 59 59 GLU N N 127.314 0.300 1 593 59 59 GLU H H 8.783 0.030 1 594 59 59 GLU CA C 54.465 0.300 1 595 59 59 GLU HA H 4.671 0.030 1 596 59 59 GLU CB C 30.020 0.300 1 597 59 59 GLU HB2 H 1.765 0.030 1 598 59 59 GLU HB3 H 1.765 0.030 1 599 59 59 GLU CG C 36.151 0.300 1 600 59 59 GLU HG2 H 2.162 0.030 1 601 59 59 GLU HG3 H 2.162 0.030 1 602 59 59 GLU C C 176.450 0.300 1 603 60 60 MET N N 122.273 0.300 1 604 60 60 MET H H 9.004 0.030 1 605 60 60 MET CA C 55.751 0.300 1 606 60 60 MET HA H 4.613 0.030 1 607 60 60 MET CB C 29.356 0.300 1 608 60 60 MET HB2 H 2.049 0.030 2 609 60 60 MET HB3 H 2.175 0.030 2 610 60 60 MET CG C 31.036 0.300 1 611 60 60 MET HG2 H 2.367 0.030 2 612 60 60 MET HG3 H 2.948 0.030 2 613 60 60 MET CE C 15.284 0.300 1 614 60 60 MET HE H 2.136 0.030 1 615 60 60 MET C C 178.387 0.300 1 616 61 61 HIS N N 115.823 0.300 1 617 61 61 HIS H H 8.198 0.030 1 618 61 61 HIS CA C 57.963 0.300 1 619 61 61 HIS HA H 4.341 0.030 1 620 61 61 HIS CB C 29.235 0.300 1 621 61 61 HIS HB2 H 3.155 0.030 2 622 61 61 HIS HB3 H 2.940 0.030 2 623 61 61 HIS CD2 C 118.667 0.300 1 624 61 61 HIS HD2 H 6.806 0.030 1 625 61 61 HIS CE1 C 138.669 0.300 1 626 61 61 HIS HE1 H 7.738 0.030 1 627 61 61 HIS C C 175.800 0.300 1 628 62 62 ASN N N 115.093 0.300 1 629 62 62 ASN H H 6.895 0.030 1 630 62 62 ASN CA C 54.503 0.300 1 631 62 62 ASN HA H 3.872 0.030 1 632 62 62 ASN CB C 38.749 0.300 1 633 62 62 ASN HB2 H 1.232 0.030 2 634 62 62 ASN HB3 H 1.071 0.030 2 635 62 62 ASN ND2 N 115.999 0.300 1 636 62 62 ASN HD21 H 7.149 0.030 2 637 62 62 ASN HD22 H 7.230 0.030 2 638 62 62 ASN C C 173.014 0.300 1 639 63 63 TYR N N 118.560 0.300 1 640 63 63 TYR H H 7.255 0.030 1 641 63 63 TYR CA C 56.311 0.300 1 642 63 63 TYR HA H 4.481 0.030 1 643 63 63 TYR CB C 39.138 0.300 1 644 63 63 TYR HB2 H 2.698 0.030 2 645 63 63 TYR HB3 H 2.488 0.030 2 646 63 63 TYR CD1 C 132.665 0.300 1 647 63 63 TYR HD1 H 6.776 0.030 1 648 63 63 TYR CD2 C 132.665 0.300 1 649 63 63 TYR HD2 H 6.776 0.030 1 650 63 63 TYR CE1 C 119.916 0.300 1 651 63 63 TYR HE1 H 6.854 0.030 1 652 63 63 TYR CE2 C 119.916 0.300 1 653 63 63 TYR HE2 H 6.854 0.030 1 654 63 63 TYR C C 173.223 0.300 1 655 64 64 VAL N N 122.318 0.300 1 656 64 64 VAL H H 7.750 0.030 1 657 64 64 VAL CA C 58.601 0.300 1 658 64 64 VAL HA H 4.469 0.030 1 659 64 64 VAL CB C 33.747 0.300 1 660 64 64 VAL HB H 1.990 0.030 1 661 64 64 VAL CG1 C 20.575 0.300 2 662 64 64 VAL HG1 H 0.926 0.030 1 663 64 64 VAL CG2 C 19.829 0.300 2 664 64 64 VAL HG2 H 0.847 0.030 1 665 64 64 VAL C C 173.983 0.300 1 666 65 65 PRO CA C 63.212 0.300 1 667 65 65 PRO HA H 4.348 0.030 1 668 65 65 PRO CB C 31.279 0.300 1 669 65 65 PRO HB2 H 2.152 0.030 2 670 65 65 PRO HB3 H 1.879 0.030 2 671 65 65 PRO CG C 28.118 0.300 1 672 65 65 PRO HG2 H 1.857 0.030 2 673 65 65 PRO HG3 H 2.165 0.030 2 674 65 65 PRO CD C 50.746 0.300 1 675 65 65 PRO HD2 H 3.657 0.030 2 676 65 65 PRO HD3 H 3.905 0.030 2 677 65 65 PRO C C 176.821 0.300 1 678 66 66 ALA N N 125.896 0.300 1 679 66 66 ALA H H 8.563 0.030 1 680 66 66 ALA CA C 52.003 0.300 1 681 66 66 ALA HA H 4.651 0.030 1 682 66 66 ALA CB C 24.137 0.300 1 683 66 66 ALA HB H 1.496 0.030 1 684 66 66 ALA C C 176.244 0.300 1 685 67 67 ASN CA C 52.862 0.300 1 686 67 67 ASN HA H 4.988 0.030 1 687 67 67 ASN CB C 40.168 0.300 1 688 67 67 ASN HB2 H 2.901 0.030 2 689 67 67 ASN HB3 H 2.809 0.030 2 690 67 67 ASN ND2 N 113.529 0.300 1 691 67 67 ASN HD21 H 6.962 0.030 2 692 67 67 ASN HD22 H 7.657 0.030 2 693 67 67 ASN C C 174.896 0.300 1 694 68 68 SER N N 114.553 0.300 1 695 68 68 SER H H 7.777 0.030 1 696 68 68 SER CA C 56.741 0.300 1 697 68 68 SER HA H 4.737 0.030 1 698 68 68 SER CB C 65.267 0.300 1 699 68 68 SER HB2 H 4.239 0.030 2 700 68 68 SER HB3 H 4.012 0.030 2 701 68 68 SER C C 174.542 0.300 1 702 69 69 LEU CA C 59.000 0.300 1 703 69 69 LEU HA H 3.961 0.030 1 704 69 69 LEU CB C 41.679 0.300 1 705 69 69 LEU HB2 H 1.765 0.030 2 706 69 69 LEU HB3 H 1.806 0.030 2 707 69 69 LEU CG C 26.952 0.300 1 708 69 69 LEU HG H 1.624 0.030 1 709 69 69 LEU CD1 C 24.534 0.300 2 710 69 69 LEU HD1 H 0.950 0.030 1 711 69 69 LEU CD2 C 25.530 0.300 2 712 69 69 LEU HD2 H 0.942 0.030 1 713 69 69 LEU C C 178.629 0.300 1 714 70 70 GLN N N 115.924 0.300 1 715 70 70 GLN H H 8.785 0.030 1 716 70 70 GLN CA C 59.728 0.300 1 717 70 70 GLN HA H 3.977 0.030 1 718 70 70 GLN CB C 27.912 0.300 1 719 70 70 GLN HB2 H 2.063 0.030 2 720 70 70 GLN HB3 H 2.173 0.030 2 721 70 70 GLN CG C 33.860 0.300 1 722 70 70 GLN HG2 H 2.487 0.030 1 723 70 70 GLN HG3 H 2.487 0.030 1 724 70 70 GLN NE2 N 112.700 0.300 1 725 70 70 GLN HE21 H 6.961 0.030 2 726 70 70 GLN HE22 H 7.579 0.030 2 727 70 70 GLN C C 178.954 0.300 1 728 71 71 GLN N N 118.694 0.300 1 729 71 71 GLN H H 7.780 0.030 1 730 71 71 GLN CA C 58.233 0.300 1 731 71 71 GLN HA H 4.219 0.030 1 732 71 71 GLN CB C 29.089 0.300 1 733 71 71 GLN HB2 H 2.233 0.030 2 734 71 71 GLN HB3 H 2.059 0.030 2 735 71 71 GLN CG C 34.855 0.300 1 736 71 71 GLN HG2 H 2.391 0.030 2 737 71 71 GLN HG3 H 2.465 0.030 2 738 71 71 GLN NE2 N 115.722 0.300 1 739 71 71 GLN HE21 H 7.437 0.030 2 740 71 71 GLN HE22 H 7.307 0.030 2 741 71 71 GLN C C 178.724 0.300 1 742 72 72 LYS N N 119.661 0.300 1 743 72 72 LYS H H 8.094 0.030 1 744 72 72 LYS CA C 61.528 0.300 1 745 72 72 LYS HA H 4.206 0.030 1 746 72 72 LYS CB C 33.806 0.300 1 747 72 72 LYS HB2 H 2.416 0.030 2 748 72 72 LYS HB3 H 2.134 0.030 2 749 72 72 LYS CG C 26.582 0.300 1 750 72 72 LYS HG2 H 1.208 0.030 2 751 72 72 LYS HG3 H 2.095 0.030 2 752 72 72 LYS CD C 30.927 0.300 1 753 72 72 LYS HD2 H 1.720 0.030 2 754 72 72 LYS HD3 H 1.853 0.030 2 755 72 72 LYS CE C 42.691 0.300 1 756 72 72 LYS HE2 H 2.862 0.030 2 757 72 72 LYS HE3 H 3.061 0.030 2 758 72 72 LYS C C 179.041 0.300 1 759 73 73 LEU N N 117.098 0.300 1 760 73 73 LEU H H 8.602 0.030 1 761 73 73 LEU CA C 58.118 0.300 1 762 73 73 LEU HA H 4.287 0.030 1 763 73 73 LEU CB C 40.831 0.300 1 764 73 73 LEU HB2 H 2.032 0.030 2 765 73 73 LEU HB3 H 1.553 0.030 2 766 73 73 LEU CG C 26.844 0.300 1 767 73 73 LEU HG H 1.856 0.030 1 768 73 73 LEU CD1 C 25.549 0.300 2 769 73 73 LEU HD1 H 0.891 0.030 1 770 73 73 LEU CD2 C 22.681 0.300 2 771 73 73 LEU HD2 H 0.772 0.030 1 772 73 73 LEU C C 180.838 0.300 1 773 74 74 SER N N 118.060 0.300 1 774 74 74 SER H H 8.334 0.030 1 775 74 74 SER CA C 61.971 0.300 1 776 74 74 SER HA H 4.431 0.030 1 777 74 74 SER CB C 62.560 0.300 1 778 74 74 SER HB2 H 4.113 0.030 2 779 74 74 SER HB3 H 4.154 0.030 2 780 74 74 SER C C 177.493 0.300 1 781 75 75 ASN N N 121.688 0.300 1 782 75 75 ASN H H 8.266 0.030 1 783 75 75 ASN CA C 56.090 0.300 1 784 75 75 ASN HA H 4.739 0.030 1 785 75 75 ASN CB C 38.184 0.300 1 786 75 75 ASN HB2 H 3.757 0.030 2 787 75 75 ASN HB3 H 2.687 0.030 2 788 75 75 ASN ND2 N 110.906 0.300 1 789 75 75 ASN HD21 H 8.427 0.030 2 790 75 75 ASN HD22 H 8.299 0.030 2 791 75 75 ASN C C 177.792 0.300 1 792 76 76 TRP N N 118.943 0.300 1 793 76 76 TRP H H 8.510 0.030 1 794 76 76 TRP CA C 62.294 0.300 1 795 76 76 TRP HA H 4.173 0.030 1 796 76 76 TRP CB C 29.223 0.300 1 797 76 76 TRP HB2 H 3.678 0.030 2 798 76 76 TRP HB3 H 3.256 0.030 2 799 76 76 TRP CD1 C 126.753 0.300 1 800 76 76 TRP HD1 H 7.377 0.030 1 801 76 76 TRP NE1 N 128.243 0.300 1 802 76 76 TRP HE1 H 9.464 0.030 1 803 76 76 TRP CE3 C 119.677 0.300 1 804 76 76 TRP HE3 H 7.577 0.030 1 805 76 76 TRP CZ2 C 115.001 0.300 1 806 76 76 TRP HZ2 H 7.706 0.030 1 807 76 76 TRP CZ3 C 120.174 0.300 1 808 76 76 TRP HZ3 H 6.877 0.030 1 809 76 76 TRP CH2 C 123.134 0.300 1 810 76 76 TRP HH2 H 7.016 0.030 1 811 76 76 TRP C C 178.579 0.300 1 812 77 77 GLY N N 107.789 0.300 1 813 77 77 GLY H H 8.954 0.030 1 814 77 77 GLY CA C 47.600 0.300 1 815 77 77 GLY HA2 H 4.122 0.030 2 816 77 77 GLY HA3 H 3.977 0.030 2 817 77 77 GLY C C 176.076 0.300 1 818 78 78 HIS N N 122.925 0.300 1 819 78 78 HIS H H 8.127 0.030 1 820 78 78 HIS CA C 61.550 0.300 1 821 78 78 HIS HA H 4.206 0.030 1 822 78 78 HIS CB C 30.794 0.300 1 823 78 78 HIS HB2 H 3.359 0.030 1 824 78 78 HIS HB3 H 3.359 0.030 1 825 78 78 HIS CD2 C 118.808 0.300 1 826 78 78 HIS HD2 H 7.094 0.030 1 827 78 78 HIS CE1 C 138.076 0.300 1 828 78 78 HIS HE1 H 7.563 0.030 1 829 78 78 HIS C C 177.572 0.300 1 830 79 79 LEU N N 120.009 0.300 1 831 79 79 LEU H H 8.726 0.030 1 832 79 79 LEU CA C 58.252 0.300 1 833 79 79 LEU HA H 4.227 0.030 1 834 79 79 LEU CB C 43.075 0.300 1 835 79 79 LEU HB2 H 1.785 0.030 2 836 79 79 LEU HB3 H 1.596 0.030 2 837 79 79 LEU CG C 26.800 0.300 1 838 79 79 LEU HG H 1.414 0.030 1 839 79 79 LEU CD1 C 23.056 0.300 2 840 79 79 LEU HD1 H 0.288 0.030 1 841 79 79 LEU CD2 C 24.659 0.300 2 842 79 79 LEU HD2 H 0.286 0.030 1 843 79 79 LEU C C 181.067 0.300 1 844 80 80 ASN N N 119.257 0.300 1 845 80 80 ASN H H 9.270 0.030 1 846 80 80 ASN CA C 57.279 0.300 1 847 80 80 ASN HA H 4.595 0.030 1 848 80 80 ASN CB C 40.403 0.300 1 849 80 80 ASN HB2 H 3.149 0.030 2 850 80 80 ASN HB3 H 3.089 0.030 2 851 80 80 ASN ND2 N 112.506 0.300 1 852 80 80 ASN HD21 H 7.600 0.030 2 853 80 80 ASN HD22 H 6.861 0.030 2 854 80 80 ASN C C 177.177 0.300 1 855 81 81 ARG N N 115.731 0.300 1 856 81 81 ARG H H 8.085 0.030 1 857 81 81 ARG CA C 59.249 0.300 1 858 81 81 ARG HA H 4.167 0.030 1 859 81 81 ARG CB C 31.579 0.300 1 860 81 81 ARG HB2 H 1.985 0.030 2 861 81 81 ARG HB3 H 1.858 0.030 2 862 81 81 ARG CG C 28.322 0.300 1 863 81 81 ARG HG2 H 1.708 0.030 2 864 81 81 ARG HG3 H 1.879 0.030 2 865 81 81 ARG CD C 43.354 0.300 1 866 81 81 ARG HD2 H 3.243 0.030 1 867 81 81 ARG HD3 H 3.243 0.030 1 868 81 81 ARG C C 177.890 0.300 1 869 82 82 LYS N N 113.840 0.300 1 870 82 82 LYS H H 8.691 0.030 1 871 82 82 LYS CA C 56.216 0.300 1 872 82 82 LYS HA H 4.441 0.030 1 873 82 82 LYS CB C 32.964 0.300 1 874 82 82 LYS HB2 H 1.723 0.030 2 875 82 82 LYS HB3 H 1.818 0.030 2 876 82 82 LYS CG C 24.374 0.300 1 877 82 82 LYS HG2 H 1.128 0.030 2 878 82 82 LYS HG3 H 1.009 0.030 2 879 82 82 LYS CD C 28.064 0.300 1 880 82 82 LYS HD2 H 1.519 0.030 1 881 82 82 LYS HD3 H 1.519 0.030 1 882 82 82 LYS CE C 42.088 0.300 1 883 82 82 LYS HE2 H 2.939 0.030 2 884 82 82 LYS HE3 H 2.900 0.030 2 885 82 82 LYS C C 177.543 0.300 1 886 83 83 VAL N N 117.873 0.300 1 887 83 83 VAL H H 7.786 0.030 1 888 83 83 VAL CA C 64.939 0.300 1 889 83 83 VAL HA H 4.235 0.030 1 890 83 83 VAL CB C 34.046 0.300 1 891 83 83 VAL HB H 2.420 0.030 1 892 83 83 VAL CG1 C 23.008 0.300 2 893 83 83 VAL HG1 H 0.906 0.030 1 894 83 83 VAL CG2 C 21.650 0.300 2 895 83 83 VAL HG2 H 1.201 0.030 1 896 83 83 VAL C C 176.945 0.300 1 897 84 84 LEU N N 118.163 0.300 1 898 84 84 LEU H H 9.200 0.030 1 899 84 84 LEU CA C 58.824 0.300 1 900 84 84 LEU HA H 3.898 0.030 1 901 84 84 LEU CB C 38.418 0.300 1 902 84 84 LEU HB2 H 2.367 0.030 2 903 84 84 LEU HB3 H 1.680 0.030 2 904 84 84 LEU CG C 27.215 0.300 1 905 84 84 LEU HG H 1.709 0.030 1 906 84 84 LEU CD1 C 25.138 0.300 2 907 84 84 LEU HD1 H 1.211 0.030 1 908 84 84 LEU CD2 C 23.084 0.300 2 909 84 84 LEU HD2 H 0.771 0.030 1 910 84 84 LEU C C 179.874 0.300 1 911 85 85 LYS N N 117.114 0.300 1 912 85 85 LYS H H 7.303 0.030 1 913 85 85 LYS CA C 59.436 0.300 1 914 85 85 LYS HA H 4.191 0.030 1 915 85 85 LYS CB C 33.096 0.300 1 916 85 85 LYS HB2 H 2.056 0.030 2 917 85 85 LYS HB3 H 1.582 0.030 2 918 85 85 LYS CG C 24.821 0.300 1 919 85 85 LYS HG2 H 1.489 0.030 2 920 85 85 LYS HG3 H 1.524 0.030 2 921 85 85 LYS CD C 29.082 0.300 1 922 85 85 LYS HD2 H 1.735 0.030 2 923 85 85 LYS HD3 H 1.789 0.030 2 924 85 85 LYS CE C 42.196 0.300 1 925 85 85 LYS HE2 H 3.020 0.030 1 926 85 85 LYS HE3 H 3.020 0.030 1 927 85 85 LYS C C 180.286 0.300 1 928 86 86 ARG N N 117.181 0.300 1 929 86 86 ARG H H 7.216 0.030 1 930 86 86 ARG CA C 57.924 0.300 1 931 86 86 ARG HA H 4.191 0.030 1 932 86 86 ARG CB C 29.848 0.300 1 933 86 86 ARG HB2 H 2.028 0.030 1 934 86 86 ARG HB3 H 2.028 0.030 1 935 86 86 ARG CG C 27.496 0.300 1 936 86 86 ARG HG2 H 1.759 0.030 2 937 86 86 ARG HG3 H 1.670 0.030 2 938 86 86 ARG CD C 43.773 0.300 1 939 86 86 ARG HD2 H 3.348 0.030 2 940 86 86 ARG HD3 H 3.259 0.030 2 941 86 86 ARG C C 177.047 0.300 1 942 87 87 LEU N N 118.282 0.300 1 943 87 87 LEU H H 7.584 0.030 1 944 87 87 LEU CA C 53.603 0.300 1 945 87 87 LEU HA H 4.339 0.030 1 946 87 87 LEU CB C 42.059 0.300 1 947 87 87 LEU HB2 H 1.865 0.030 2 948 87 87 LEU HB3 H 1.623 0.030 2 949 87 87 LEU CG C 26.327 0.300 1 950 87 87 LEU HG H 1.591 0.030 1 951 87 87 LEU CD1 C 26.545 0.300 2 952 87 87 LEU HD1 H 0.745 0.030 1 953 87 87 LEU CD2 C 22.975 0.300 2 954 87 87 LEU HD2 H 0.567 0.030 1 955 87 87 LEU C C 175.182 0.300 1 956 88 88 ASN N N 115.016 0.300 1 957 88 88 ASN H H 7.932 0.030 1 958 88 88 ASN CA C 54.081 0.300 1 959 88 88 ASN HA H 4.384 0.030 1 960 88 88 ASN CB C 36.809 0.300 1 961 88 88 ASN HB2 H 3.145 0.030 2 962 88 88 ASN HB3 H 2.775 0.030 2 963 88 88 ASN ND2 N 111.951 0.300 1 964 88 88 ASN HD21 H 6.860 0.030 2 965 88 88 ASN HD22 H 7.528 0.030 2 966 88 88 ASN C C 173.426 0.300 1 967 89 89 PHE N N 119.795 0.300 1 968 89 89 PHE H H 7.739 0.030 1 969 89 89 PHE CA C 56.231 0.300 1 970 89 89 PHE HA H 4.887 0.030 1 971 89 89 PHE CB C 43.188 0.300 1 972 89 89 PHE HB2 H 2.822 0.030 2 973 89 89 PHE HB3 H 2.689 0.030 2 974 89 89 PHE CD1 C 131.417 0.300 1 975 89 89 PHE HD1 H 7.147 0.030 1 976 89 89 PHE CD2 C 131.417 0.300 1 977 89 89 PHE HD2 H 7.147 0.030 1 978 89 89 PHE CE1 C 130.866 0.300 1 979 89 89 PHE HE1 H 7.187 0.030 1 980 89 89 PHE CE2 C 130.866 0.300 1 981 89 89 PHE HE2 H 7.187 0.030 1 982 89 89 PHE CZ C 129.798 0.300 1 983 89 89 PHE HZ H 7.428 0.030 1 984 89 89 PHE C C 172.386 0.300 1 985 90 90 SER N N 117.020 0.300 1 986 90 90 SER H H 7.301 0.030 1 987 90 90 SER CA C 56.762 0.300 1 988 90 90 SER HA H 4.667 0.030 1 989 90 90 SER CB C 64.885 0.300 1 990 90 90 SER HB2 H 3.553 0.030 1 991 90 90 SER HB3 H 3.553 0.030 1 992 90 90 SER C C 172.726 0.300 1 993 91 91 VAL N N 126.604 0.300 1 994 91 91 VAL H H 8.959 0.030 1 995 91 91 VAL CA C 59.173 0.300 1 996 91 91 VAL HA H 4.336 0.030 1 997 91 91 VAL CB C 33.703 0.300 1 998 91 91 VAL HB H 1.921 0.030 1 999 91 91 VAL CG1 C 21.846 0.300 2 1000 91 91 VAL HG1 H 0.779 0.030 1 1001 91 91 VAL CG2 C 22.245 0.300 2 1002 91 91 VAL HG2 H 0.967 0.030 1 1003 91 91 VAL C C 173.886 0.300 1 1004 92 92 PRO CA C 62.618 0.300 1 1005 92 92 PRO HA H 4.481 0.030 1 1006 92 92 PRO CB C 33.302 0.300 1 1007 92 92 PRO HB2 H 1.976 0.030 2 1008 92 92 PRO HB3 H 2.482 0.030 2 1009 92 92 PRO CG C 27.686 0.300 1 1010 92 92 PRO HG2 H 2.029 0.030 1 1011 92 92 PRO HG3 H 2.029 0.030 1 1012 92 92 PRO CD C 51.508 0.300 1 1013 92 92 PRO HD2 H 3.388 0.030 2 1014 92 92 PRO HD3 H 3.959 0.030 2 1015 92 92 PRO C C 177.410 0.300 1 1016 93 93 ASP N N 123.319 0.300 1 1017 93 93 ASP H H 8.854 0.030 1 1018 93 93 ASP CA C 58.347 0.300 1 1019 93 93 ASP HA H 4.298 0.030 1 1020 93 93 ASP CB C 40.916 0.300 1 1021 93 93 ASP HB2 H 2.646 0.030 1 1022 93 93 ASP HB3 H 2.646 0.030 1 1023 93 93 ASP C C 178.221 0.300 1 1024 94 94 ASP N N 116.740 0.300 1 1025 94 94 ASP H H 8.955 0.030 1 1026 94 94 ASP CA C 56.851 0.300 1 1027 94 94 ASP HA H 4.222 0.030 1 1028 94 94 ASP CB C 39.733 0.300 1 1029 94 94 ASP HB2 H 2.558 0.030 2 1030 94 94 ASP HB3 H 2.658 0.030 2 1031 94 94 ASP C C 178.344 0.300 1 1032 95 95 VAL N N 121.559 0.300 1 1033 95 95 VAL H H 6.935 0.030 1 1034 95 95 VAL CA C 66.007 0.300 1 1035 95 95 VAL HA H 3.378 0.030 1 1036 95 95 VAL CB C 31.712 0.300 1 1037 95 95 VAL HB H 1.877 0.030 1 1038 95 95 VAL CG1 C 21.078 0.300 2 1039 95 95 VAL HG1 H 0.617 0.030 1 1040 95 95 VAL CG2 C 22.554 0.300 2 1041 95 95 VAL HG2 H 0.927 0.030 1 1042 95 95 VAL C C 177.153 0.300 1 1043 96 96 MET N N 118.492 0.300 1 1044 96 96 MET H H 7.993 0.030 1 1045 96 96 MET CA C 60.318 0.300 1 1046 96 96 MET HA H 3.037 0.030 1 1047 96 96 MET CB C 33.348 0.300 1 1048 96 96 MET HB2 H 2.101 0.030 2 1049 96 96 MET HB3 H 1.674 0.030 2 1050 96 96 MET CG C 32.508 0.300 1 1051 96 96 MET HG2 H 1.926 0.030 2 1052 96 96 MET HG3 H 2.313 0.030 2 1053 96 96 MET CE C 17.492 0.300 1 1054 96 96 MET HE H 2.213 0.030 1 1055 96 96 MET C C 176.993 0.300 1 1056 97 97 ARG N N 116.593 0.300 1 1057 97 97 ARG H H 7.668 0.030 1 1058 97 97 ARG CA C 60.372 0.300 1 1059 97 97 ARG HA H 3.772 0.030 1 1060 97 97 ARG CB C 29.627 0.300 1 1061 97 97 ARG HB2 H 1.835 0.030 1 1062 97 97 ARG HB3 H 1.835 0.030 1 1063 97 97 ARG CG C 28.721 0.300 1 1064 97 97 ARG HG2 H 1.646 0.030 2 1065 97 97 ARG HG3 H 1.517 0.030 2 1066 97 97 ARG CD C 43.138 0.300 1 1067 97 97 ARG HD2 H 3.151 0.030 2 1068 97 97 ARG HD3 H 3.231 0.030 2 1069 97 97 ARG C C 177.718 0.300 1 1070 98 98 LYS N N 118.000 0.300 1 1071 98 98 LYS H H 7.279 0.030 1 1072 98 98 LYS CA C 59.942 0.300 1 1073 98 98 LYS HA H 4.035 0.030 1 1074 98 98 LYS CB C 33.307 0.300 1 1075 98 98 LYS HB2 H 1.950 0.030 2 1076 98 98 LYS HB3 H 1.670 0.030 2 1077 98 98 LYS CG C 26.315 0.300 1 1078 98 98 LYS HG2 H 1.692 0.030 2 1079 98 98 LYS HG3 H 1.422 0.030 2 1080 98 98 LYS CD C 29.569 0.300 1 1081 98 98 LYS HD2 H 1.643 0.030 2 1082 98 98 LYS HD3 H 1.491 0.030 2 1083 98 98 LYS CE C 42.188 0.300 1 1084 98 98 LYS HE2 H 2.866 0.030 1 1085 98 98 LYS HE3 H 2.866 0.030 1 1086 98 98 LYS C C 178.861 0.300 1 1087 99 99 ILE N N 119.736 0.300 1 1088 99 99 ILE H H 8.298 0.030 1 1089 99 99 ILE CA C 65.451 0.300 1 1090 99 99 ILE HA H 3.473 0.030 1 1091 99 99 ILE CB C 38.088 0.300 1 1092 99 99 ILE HB H 1.303 0.030 1 1093 99 99 ILE CG1 C 29.394 0.300 1 1094 99 99 ILE HG12 H 0.357 0.030 2 1095 99 99 ILE HG13 H 1.669 0.030 2 1096 99 99 ILE CG2 C 16.628 0.300 1 1097 99 99 ILE HG2 H 0.988 0.030 1 1098 99 99 ILE CD1 C 14.582 0.300 1 1099 99 99 ILE HD1 H 0.197 0.030 1 1100 99 99 ILE C C 181.472 0.300 1 1101 100 100 ALA N N 124.832 0.300 1 1102 100 100 ALA H H 8.473 0.030 1 1103 100 100 ALA CA C 54.623 0.300 1 1104 100 100 ALA HA H 4.481 0.030 1 1105 100 100 ALA CB C 19.106 0.300 1 1106 100 100 ALA HB H 1.489 0.030 1 1107 100 100 ALA C C 177.755 0.300 1 1108 101 101 GLN N N 113.891 0.300 1 1109 101 101 GLN H H 7.665 0.030 1 1110 101 101 GLN CA C 55.681 0.300 1 1111 101 101 GLN HA H 4.378 0.030 1 1112 101 101 GLN CB C 28.879 0.300 1 1113 101 101 GLN HB2 H 2.294 0.030 2 1114 101 101 GLN HB3 H 2.156 0.030 2 1115 101 101 GLN CG C 34.958 0.300 1 1116 101 101 GLN HG2 H 2.625 0.030 2 1117 101 101 GLN HG3 H 2.387 0.030 2 1118 101 101 GLN NE2 N 110.608 0.300 1 1119 101 101 GLN HE21 H 7.149 0.030 2 1120 101 101 GLN HE22 H 6.817 0.030 2 1121 101 101 GLN C C 175.604 0.300 1 1122 102 102 CYS N N 114.274 0.300 1 1123 102 102 CYS H H 8.300 0.030 1 1124 102 102 CYS CA C 58.700 0.300 1 1125 102 102 CYS HA H 4.030 0.030 1 1126 102 102 CYS CB C 24.987 0.300 1 1127 102 102 CYS HB2 H 3.493 0.030 2 1128 102 102 CYS HB3 H 2.831 0.030 2 1129 102 102 CYS C C 174.186 0.300 1 1130 103 103 ALA N N 123.512 0.300 1 1131 103 103 ALA H H 8.175 0.030 1 1132 103 103 ALA CA C 50.841 0.300 1 1133 103 103 ALA HA H 4.458 0.030 1 1134 103 103 ALA CB C 18.353 0.300 1 1135 103 103 ALA HB H 1.273 0.030 1 1136 103 103 ALA C C 175.904 0.300 1 1137 104 104 PRO CA C 64.290 0.300 1 1138 104 104 PRO HA H 4.315 0.030 1 1139 104 104 PRO CB C 32.028 0.300 1 1140 104 104 PRO HB2 H 2.338 0.030 2 1141 104 104 PRO HB3 H 1.965 0.030 2 1142 104 104 PRO CG C 27.902 0.300 1 1143 104 104 PRO HG2 H 2.160 0.030 2 1144 104 104 PRO HG3 H 2.076 0.030 2 1145 104 104 PRO CD C 50.974 0.300 1 1146 104 104 PRO HD2 H 3.678 0.030 2 1147 104 104 PRO HD3 H 4.097 0.030 2 1148 104 104 PRO C C 178.173 0.300 1 1149 105 105 GLY N N 113.466 0.300 1 1150 105 105 GLY H H 9.036 0.030 1 1151 105 105 GLY CA C 45.935 0.300 1 1152 105 105 GLY HA2 H 4.044 0.030 2 1153 105 105 GLY HA3 H 3.832 0.030 2 1154 105 105 GLY C C 174.928 0.300 1 1155 106 106 VAL N N 117.991 0.300 1 1156 106 106 VAL H H 6.964 0.030 1 1157 106 106 VAL CA C 66.071 0.300 1 1158 106 106 VAL HA H 3.842 0.030 1 1159 106 106 VAL CB C 31.337 0.300 1 1160 106 106 VAL HB H 1.800 0.030 1 1161 106 106 VAL CG1 C 22.771 0.300 2 1162 106 106 VAL HG1 H 0.847 0.030 1 1163 106 106 VAL CG2 C 23.275 0.300 2 1164 106 106 VAL HG2 H 0.789 0.030 1 1165 106 106 VAL C C 178.061 0.300 1 1166 107 107 VAL N N 121.474 0.300 1 1167 107 107 VAL H H 9.039 0.030 1 1168 107 107 VAL CA C 65.971 0.300 1 1169 107 107 VAL HA H 3.743 0.030 1 1170 107 107 VAL CB C 30.959 0.300 1 1171 107 107 VAL HB H 2.240 0.030 1 1172 107 107 VAL CG1 C 20.114 0.300 2 1173 107 107 VAL HG1 H 0.844 0.030 1 1174 107 107 VAL CG2 C 22.776 0.300 2 1175 107 107 VAL HG2 H 1.123 0.030 1 1176 107 107 VAL C C 177.629 0.300 1 1177 108 108 GLU N N 126.242 0.300 1 1178 108 108 GLU H H 11.107 0.030 1 1179 108 108 GLU CA C 62.429 0.300 1 1180 108 108 GLU HA H 3.584 0.030 1 1181 108 108 GLU CB C 28.863 0.300 1 1182 108 108 GLU HB2 H 1.902 0.030 2 1183 108 108 GLU HB3 H 1.597 0.030 2 1184 108 108 GLU CG C 38.584 0.300 1 1185 108 108 GLU HG2 H 2.450 0.030 2 1186 108 108 GLU HG3 H 1.953 0.030 2 1187 108 108 GLU C C 176.878 0.300 1 1188 109 109 LEU N N 114.111 0.300 1 1189 109 109 LEU H H 7.474 0.030 1 1190 109 109 LEU CA C 56.293 0.300 1 1191 109 109 LEU HA H 4.024 0.030 1 1192 109 109 LEU CB C 40.846 0.300 1 1193 109 109 LEU HB2 H 2.096 0.030 2 1194 109 109 LEU HB3 H 1.590 0.030 2 1195 109 109 LEU CG C 26.488 0.300 1 1196 109 109 LEU HG H 1.968 0.030 1 1197 109 109 LEU CD1 C 25.496 0.300 2 1198 109 109 LEU HD1 H 0.924 0.030 1 1199 109 109 LEU CD2 C 22.002 0.300 2 1200 109 109 LEU HD2 H 0.754 0.030 1 1201 109 109 LEU C C 178.647 0.300 1 1202 110 110 VAL N N 116.984 0.300 1 1203 110 110 VAL H H 7.557 0.030 1 1204 110 110 VAL CA C 64.274 0.300 1 1205 110 110 VAL HA H 4.206 0.030 1 1206 110 110 VAL CB C 33.070 0.300 1 1207 110 110 VAL HB H 2.325 0.030 1 1208 110 110 VAL CG1 C 20.899 0.300 2 1209 110 110 VAL HG1 H 1.126 0.030 1 1210 110 110 VAL CG2 C 23.492 0.300 2 1211 110 110 VAL HG2 H 1.010 0.030 1 1212 110 110 VAL C C 176.435 0.300 1 1213 111 111 LEU N N 118.461 0.300 1 1214 111 111 LEU H H 8.453 0.030 1 1215 111 111 LEU CA C 58.047 0.300 1 1216 111 111 LEU HA H 4.003 0.030 1 1217 111 111 LEU CB C 43.552 0.300 1 1218 111 111 LEU HB2 H 1.845 0.030 2 1219 111 111 LEU HB3 H 1.492 0.030 2 1220 111 111 LEU CG C 26.650 0.300 1 1221 111 111 LEU HG H 1.873 0.030 1 1222 111 111 LEU CD1 C 21.828 0.300 2 1223 111 111 LEU HD1 H 0.829 0.030 1 1224 111 111 LEU CD2 C 25.530 0.300 2 1225 111 111 LEU HD2 H 0.337 0.030 1 1226 111 111 LEU C C 177.274 0.300 1 1227 112 112 ILE N N 115.835 0.300 1 1228 112 112 ILE H H 7.850 0.030 1 1229 112 112 ILE CA C 67.843 0.300 1 1230 112 112 ILE HA H 3.636 0.030 1 1231 112 112 ILE CB C 36.504 0.300 1 1232 112 112 ILE HB H 1.837 0.030 1 1233 112 112 ILE CG1 C 31.428 0.300 1 1234 112 112 ILE HG12 H 1.013 0.030 2 1235 112 112 ILE HG13 H 1.860 0.030 2 1236 112 112 ILE CG2 C 16.395 0.300 1 1237 112 112 ILE HG2 H 0.819 0.030 1 1238 112 112 ILE CD1 C 13.790 0.300 1 1239 112 112 ILE HD1 H 0.736 0.030 1 1240 112 112 ILE C C 176.487 0.300 1 1241 113 113 PRO CA C 64.872 0.300 1 1242 113 113 PRO HA H 4.420 0.030 1 1243 113 113 PRO CB C 30.348 0.300 1 1244 113 113 PRO HB2 H 2.244 0.030 2 1245 113 113 PRO HB3 H 1.744 0.030 2 1246 113 113 PRO CG C 28.232 0.300 1 1247 113 113 PRO HG2 H 2.183 0.030 2 1248 113 113 PRO HG3 H 2.395 0.030 2 1249 113 113 PRO CD C 50.069 0.300 1 1250 113 113 PRO HD2 H 3.267 0.030 2 1251 113 113 PRO HD3 H 3.599 0.030 2 1252 113 113 PRO C C 179.001 0.300 1 1253 114 114 LEU N N 120.690 0.300 1 1254 114 114 LEU H H 7.672 0.030 1 1255 114 114 LEU CA C 58.337 0.300 1 1256 114 114 LEU HA H 3.490 0.030 1 1257 114 114 LEU CB C 41.840 0.300 1 1258 114 114 LEU HB2 H 1.924 0.030 2 1259 114 114 LEU HB3 H 1.354 0.030 2 1260 114 114 LEU CG C 26.576 0.300 1 1261 114 114 LEU HG H 1.440 0.030 1 1262 114 114 LEU CD1 C 22.586 0.300 2 1263 114 114 LEU HD1 H 0.509 0.030 1 1264 114 114 LEU CD2 C 26.160 0.300 2 1265 114 114 LEU HD2 H 0.831 0.030 1 1266 114 114 LEU C C 177.486 0.300 1 1267 115 115 ARG N N 119.039 0.300 1 1268 115 115 ARG H H 8.159 0.030 1 1269 115 115 ARG CA C 60.199 0.300 1 1270 115 115 ARG HA H 3.215 0.030 1 1271 115 115 ARG CB C 28.049 0.300 1 1272 115 115 ARG HB2 H 1.188 0.030 2 1273 115 115 ARG HB3 H 0.125 0.030 2 1274 115 115 ARG CG C 26.058 0.300 1 1275 115 115 ARG HG2 H 0.624 0.030 2 1276 115 115 ARG HG3 H -0.003 0.030 2 1277 115 115 ARG CD C 43.117 0.300 1 1278 115 115 ARG HD2 H 1.360 0.030 2 1279 115 115 ARG HD3 H 2.368 0.030 2 1280 115 115 ARG NE N 86.197 0.300 1 1281 115 115 ARG HE H 6.663 0.030 1 1282 115 115 ARG C C 177.460 0.300 1 1283 116 116 GLN N N 115.221 0.300 1 1284 116 116 GLN H H 6.825 0.030 1 1285 116 116 GLN CA C 58.838 0.300 1 1286 116 116 GLN HA H 3.830 0.030 1 1287 116 116 GLN CB C 27.871 0.300 1 1288 116 116 GLN HB2 H 2.065 0.030 2 1289 116 116 GLN HB3 H 2.106 0.030 2 1290 116 116 GLN CG C 33.508 0.300 1 1291 116 116 GLN HG2 H 2.293 0.030 2 1292 116 116 GLN HG3 H 2.400 0.030 2 1293 116 116 GLN NE2 N 111.885 0.300 1 1294 116 116 GLN HE21 H 7.439 0.030 2 1295 116 116 GLN HE22 H 6.780 0.030 2 1296 116 116 GLN C C 178.648 0.300 1 1297 117 117 ARG N N 118.476 0.300 1 1298 117 117 ARG H H 8.028 0.030 1 1299 117 117 ARG CA C 57.607 0.300 1 1300 117 117 ARG HA H 4.117 0.030 1 1301 117 117 ARG CB C 30.040 0.300 1 1302 117 117 ARG HB2 H 1.992 0.030 2 1303 117 117 ARG HB3 H 1.910 0.030 2 1304 117 117 ARG CG C 26.553 0.300 1 1305 117 117 ARG HG2 H 1.434 0.030 2 1306 117 117 ARG HG3 H 1.935 0.030 2 1307 117 117 ARG CD C 41.942 0.300 1 1308 117 117 ARG HD2 H 3.234 0.030 2 1309 117 117 ARG HD3 H 3.405 0.030 2 1310 117 117 ARG C C 179.370 0.300 1 1311 118 118 LEU N N 120.407 0.300 1 1312 118 118 LEU H H 8.533 0.030 1 1313 118 118 LEU CA C 58.295 0.300 1 1314 118 118 LEU HA H 3.950 0.030 1 1315 118 118 LEU CB C 40.472 0.300 1 1316 118 118 LEU HB2 H 0.546 0.030 2 1317 118 118 LEU HB3 H 1.581 0.030 2 1318 118 118 LEU CG C 26.399 0.300 1 1319 118 118 LEU HG H 1.784 0.030 1 1320 118 118 LEU CD1 C 26.517 0.300 2 1321 118 118 LEU HD1 H 0.750 0.030 1 1322 118 118 LEU CD2 C 24.361 0.300 2 1323 118 118 LEU HD2 H 0.992 0.030 1 1324 118 118 LEU C C 178.577 0.300 1 1325 119 119 GLU N N 116.858 0.300 1 1326 119 119 GLU H H 8.220 0.030 1 1327 119 119 GLU CA C 59.441 0.300 1 1328 119 119 GLU HA H 4.047 0.030 1 1329 119 119 GLU CB C 29.271 0.300 1 1330 119 119 GLU HB2 H 2.021 0.030 1 1331 119 119 GLU HB3 H 2.021 0.030 1 1332 119 119 GLU CG C 37.570 0.300 1 1333 119 119 GLU HG2 H 2.303 0.030 2 1334 119 119 GLU HG3 H 2.411 0.030 2 1335 119 119 GLU C C 179.631 0.300 1 1336 120 120 GLU N N 119.797 0.300 1 1337 120 120 GLU H H 8.199 0.030 1 1338 120 120 GLU CA C 59.223 0.300 1 1339 120 120 GLU HA H 4.062 0.030 1 1340 120 120 GLU CB C 29.562 0.300 1 1341 120 120 GLU HB2 H 2.226 0.030 2 1342 120 120 GLU HB3 H 2.086 0.030 2 1343 120 120 GLU CG C 36.269 0.300 1 1344 120 120 GLU HG2 H 2.317 0.030 2 1345 120 120 GLU HG3 H 2.409 0.030 2 1346 120 120 GLU C C 178.823 0.300 1 1347 121 121 ARG N N 118.760 0.300 1 1348 121 121 ARG H H 7.928 0.030 1 1349 121 121 ARG CA C 58.065 0.300 1 1350 121 121 ARG HA H 4.136 0.030 1 1351 121 121 ARG CB C 29.478 0.300 1 1352 121 121 ARG HB2 H 1.968 0.030 2 1353 121 121 ARG HB3 H 1.895 0.030 2 1354 121 121 ARG CG C 28.098 0.300 1 1355 121 121 ARG HG2 H 1.558 0.030 2 1356 121 121 ARG HG3 H 1.471 0.030 2 1357 121 121 ARG CD C 42.628 0.300 1 1358 121 121 ARG HD2 H 2.506 0.030 2 1359 121 121 ARG HD3 H 2.902 0.030 2 1360 121 121 ARG C C 178.426 0.300 1 1361 122 122 GLN N N 119.430 0.300 1 1362 122 122 GLN H H 8.323 0.030 1 1363 122 122 GLN CA C 58.489 0.300 1 1364 122 122 GLN HA H 4.352 0.030 1 1365 122 122 GLN CB C 29.611 0.300 1 1366 122 122 GLN HB2 H 2.367 0.030 1 1367 122 122 GLN HB3 H 2.367 0.030 1 1368 122 122 GLN CG C 34.436 0.300 1 1369 122 122 GLN HG2 H 2.602 0.030 2 1370 122 122 GLN HG3 H 2.453 0.030 2 1371 122 122 GLN NE2 N 112.165 0.300 1 1372 122 122 GLN HE21 H 7.453 0.030 2 1373 122 122 GLN HE22 H 6.779 0.030 2 1374 122 122 GLN C C 177.291 0.300 1 1375 123 123 ARG N N 118.341 0.300 1 1376 123 123 ARG H H 7.920 0.030 1 1377 123 123 ARG CA C 57.695 0.300 1 1378 123 123 ARG HA H 4.266 0.030 1 1379 123 123 ARG CB C 30.671 0.300 1 1380 123 123 ARG HB2 H 1.961 0.030 1 1381 123 123 ARG HB3 H 1.961 0.030 1 1382 123 123 ARG CG C 27.820 0.300 1 1383 123 123 ARG HG2 H 1.852 0.030 2 1384 123 123 ARG HG3 H 1.722 0.030 2 1385 123 123 ARG CD C 43.585 0.300 1 1386 123 123 ARG HD2 H 3.242 0.030 1 1387 123 123 ARG HD3 H 3.242 0.030 1 1388 123 123 ARG C C 177.214 0.300 1 1389 124 124 ARG N N 119.452 0.300 1 1390 124 124 ARG H H 7.850 0.030 1 1391 124 124 ARG CA C 56.814 0.300 1 1392 124 124 ARG HA H 4.300 0.030 1 1393 124 124 ARG CB C 30.672 0.300 1 1394 124 124 ARG HB2 H 1.876 0.030 2 1395 124 124 ARG HB3 H 1.946 0.030 2 1396 124 124 ARG CG C 27.362 0.300 1 1397 124 124 ARG HG2 H 1.717 0.030 2 1398 124 124 ARG HG3 H 1.796 0.030 2 1399 124 124 ARG CD C 43.529 0.300 1 1400 124 124 ARG HD2 H 3.242 0.030 1 1401 124 124 ARG HD3 H 3.242 0.030 1 1402 124 124 ARG C C 176.540 0.300 1 1403 125 125 ARG N N 120.963 0.300 1 1404 125 125 ARG H H 8.081 0.030 1 1405 125 125 ARG CA C 56.514 0.300 1 1406 125 125 ARG HA H 4.355 0.030 1 1407 125 125 ARG CB C 30.694 0.300 1 1408 125 125 ARG HB2 H 1.885 0.030 1 1409 125 125 ARG HB3 H 1.885 0.030 1 1410 125 125 ARG CG C 27.593 0.300 1 1411 125 125 ARG HG2 H 1.630 0.030 2 1412 125 125 ARG HG3 H 1.538 0.030 2 1413 125 125 ARG CD C 43.209 0.300 1 1414 125 125 ARG HD2 H 3.185 0.030 1 1415 125 125 ARG HD3 H 3.185 0.030 1 1416 125 125 ARG C C 176.133 0.300 1 1417 126 126 LYS N N 122.811 0.300 1 1418 126 126 LYS H H 8.252 0.030 1 1419 126 126 LYS CA C 56.430 0.300 1 1420 126 126 LYS HA H 4.351 0.030 1 1421 126 126 LYS CB C 33.017 0.300 1 1422 126 126 LYS HB2 H 1.801 0.030 2 1423 126 126 LYS HB3 H 1.902 0.030 2 1424 126 126 LYS CG C 24.766 0.300 1 1425 126 126 LYS HG2 H 1.489 0.030 2 1426 126 126 LYS HG3 H 1.515 0.030 2 1427 126 126 LYS CD C 29.107 0.300 1 1428 126 126 LYS HD2 H 1.715 0.030 1 1429 126 126 LYS HD3 H 1.715 0.030 1 1430 126 126 LYS CE C 42.211 0.300 1 1431 126 126 LYS HE2 H 3.024 0.030 1 1432 126 126 LYS HE3 H 3.024 0.030 1 1433 126 126 LYS C C 175.649 0.300 1 1434 127 127 GLN N N 126.990 0.300 1 1435 127 127 GLN H H 8.037 0.030 1 1436 127 127 GLN CA C 57.493 0.300 1 1437 127 127 GLN HA H 4.175 0.030 1 1438 127 127 GLN CB C 30.579 0.300 1 1439 127 127 GLN HB2 H 1.955 0.030 2 1440 127 127 GLN HB3 H 2.128 0.030 2 1441 127 127 GLN CG C 34.389 0.300 1 1442 127 127 GLN HG2 H 2.328 0.030 1 1443 127 127 GLN HG3 H 2.328 0.030 1 1444 127 127 GLN NE2 N 112.406 0.300 1 1445 127 127 GLN HE21 H 6.846 0.030 2 1446 127 127 GLN HE22 H 7.569 0.030 2 1447 127 127 GLN C C 180.498 0.300 1 stop_ save_