data_11088 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the PH domain of Dynamin-2 from human ; _BMRB_accession_number 11088 _BMRB_flat_file_name bmr11088.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 Tochio N. . . 4 Koshiba S. . . 5 Watanabe S. . . 6 Harada T. . . 7 Kigawa T. . . 8 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" 675 "13C chemical shifts" 494 "15N chemical shifts" 113 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 PH domain of Dynamin-2 from human' _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 Tochio N. . . 4 Koshiba S. . . 5 Watanabe S. . . 6 Harada T. . . 7 Kigawa T. . . 8 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 Dynamin-2 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'PH 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 'PH domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 113 _Mol_residue_sequence ; GSSGSSGVIRRGWLTINNIS LMKGGSKEYWFVLTAESLSW YKDEEEKEKKYMLPLDNLKI RDVEKGFMSNKHVFAIFNTE QRNVYKDLRQIELACDSQED VDSWKASFLRAGV ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 VAL 9 ILE 10 ARG 11 ARG 12 GLY 13 TRP 14 LEU 15 THR 16 ILE 17 ASN 18 ASN 19 ILE 20 SER 21 LEU 22 MET 23 LYS 24 GLY 25 GLY 26 SER 27 LYS 28 GLU 29 TYR 30 TRP 31 PHE 32 VAL 33 LEU 34 THR 35 ALA 36 GLU 37 SER 38 LEU 39 SER 40 TRP 41 TYR 42 LYS 43 ASP 44 GLU 45 GLU 46 GLU 47 LYS 48 GLU 49 LYS 50 LYS 51 TYR 52 MET 53 LEU 54 PRO 55 LEU 56 ASP 57 ASN 58 LEU 59 LYS 60 ILE 61 ARG 62 ASP 63 VAL 64 GLU 65 LYS 66 GLY 67 PHE 68 MET 69 SER 70 ASN 71 LYS 72 HIS 73 VAL 74 PHE 75 ALA 76 ILE 77 PHE 78 ASN 79 THR 80 GLU 81 GLN 82 ARG 83 ASN 84 VAL 85 TYR 86 LYS 87 ASP 88 LEU 89 ARG 90 GLN 91 ILE 92 GLU 93 LEU 94 ALA 95 CYS 96 ASP 97 SER 98 GLN 99 GLU 100 ASP 101 VAL 102 ASP 103 SER 104 TRP 105 LYS 106 ALA 107 SER 108 PHE 109 LEU 110 ARG 111 ALA 112 GLY 113 VAL 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 2YS1 "Solution Structure Of The Ph Domain Of Dynamin-2 From Human" 100.00 113 100.00 100.00 6.41e-76 DBJ BAB23745 "unnamed protein product [Mus musculus]" 93.81 860 100.00 100.00 9.36e-61 DBJ BAC05190 "unnamed protein product [Homo sapiens]" 93.81 464 100.00 100.00 4.70e-63 DBJ BAC85978 "unnamed protein product [Homo sapiens]" 93.81 329 100.00 100.00 4.03e-70 DBJ BAC86481 "unnamed protein product [Homo sapiens]" 93.81 329 100.00 100.00 3.58e-70 DBJ BAC86797 "unnamed protein product [Homo sapiens]" 93.81 399 100.00 100.00 9.31e-72 GB AAA16746 "dynamin [Rattus norvegicus]" 93.81 868 100.00 100.00 6.55e-61 GB AAA19736 "dynamin IIaa [Rattus norvegicus]" 93.81 870 100.00 100.00 6.59e-61 GB AAA40523 "dynamin [Mus musculus]" 93.81 866 100.00 100.00 2.51e-68 GB AAA88025 "dynamin [Homo sapiens]" 93.81 866 100.00 100.00 2.51e-68 GB AAD23603 "dynamin II, partial [Homo sapiens]" 93.81 393 100.00 100.00 7.95e-72 REF NP_001005360 "dynamin-2 isoform 1 [Homo sapiens]" 93.81 870 100.00 100.00 6.59e-61 REF NP_001005361 "dynamin-2 isoform 2 [Homo sapiens]" 93.81 870 100.00 100.00 6.59e-61 REF NP_001005362 "dynamin-2 isoform 4 [Homo sapiens]" 93.81 866 100.00 100.00 2.51e-68 REF NP_001034609 "dynamin-2 isoform 2 [Mus musculus]" 93.81 869 100.00 100.00 6.76e-61 REF NP_001092839 "dynamin-2 [Bos taurus]" 93.81 866 100.00 100.00 2.51e-68 SP A6H7I5 "RecName: Full=Dynamin-2" 93.81 866 100.00 100.00 2.51e-68 SP P39052 "RecName: Full=Dynamin-2" 93.81 870 100.00 100.00 6.59e-61 SP P39054 "RecName: Full=Dynamin-2; AltName: Full=Dynamin UDNM" 93.81 870 100.00 100.00 6.59e-61 SP P50570 "RecName: Full=Dynamin-2" 93.81 870 100.00 100.00 6.59e-61 TPG DAA27924 "TPA: dynamin-2 [Bos taurus]" 93.81 813 100.00 100.00 1.03e-67 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 . P060904-04 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1.17mM PH domain [U-15N,13C], 20mM d-Tris-HCl, 100mM NaCl, 1mM d-DTT, 0.02% NaN3, 90% H2O, 10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.17 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 20031121 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRVIEW _Saveframe_category software _Name NMRView _Version 5.0.4 loop_ _Vendor _Address _Electronic_address 'Johnson, B.A.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_Kujira _Saveframe_category software _Name Kujira _Version 0.9820 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.0.17 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task '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_13N-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13N-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 13N-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 'PH 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 7 7 GLY HA2 H 3.929 0.030 1 2 7 7 GLY HA3 H 3.929 0.030 1 3 7 7 GLY C C 174.045 0.300 1 4 7 7 GLY CA C 45.349 0.300 1 5 8 8 VAL H H 8.123 0.030 1 6 8 8 VAL HA H 3.732 0.030 1 7 8 8 VAL HB H 1.907 0.030 1 8 8 8 VAL HG1 H 0.724 0.030 1 9 8 8 VAL HG2 H 0.864 0.030 1 10 8 8 VAL C C 176.293 0.300 1 11 8 8 VAL CA C 63.997 0.300 1 12 8 8 VAL CB C 32.427 0.300 1 13 8 8 VAL CG1 C 21.901 0.300 2 14 8 8 VAL CG2 C 22.009 0.300 2 15 8 8 VAL N N 121.040 0.300 1 16 9 9 ILE H H 9.232 0.030 1 17 9 9 ILE HA H 3.830 0.030 1 18 9 9 ILE HB H 1.256 0.030 1 19 9 9 ILE HD1 H 0.628 0.030 1 20 9 9 ILE HG12 H 1.579 0.030 2 21 9 9 ILE HG13 H 0.890 0.030 2 22 9 9 ILE HG2 H 0.787 0.030 1 23 9 9 ILE C C 175.790 0.300 1 24 9 9 ILE CA C 63.259 0.300 1 25 9 9 ILE CB C 39.177 0.300 1 26 9 9 ILE CD1 C 12.837 0.300 1 27 9 9 ILE CG1 C 28.635 0.300 1 28 9 9 ILE CG2 C 17.454 0.300 1 29 9 9 ILE N N 129.509 0.300 1 30 10 10 ARG H H 7.495 0.030 1 31 10 10 ARG HA H 4.138 0.030 1 32 10 10 ARG HB2 H 1.367 0.030 2 33 10 10 ARG HB3 H 0.754 0.030 2 34 10 10 ARG HD2 H 2.166 0.030 2 35 10 10 ARG HD3 H 1.468 0.030 2 36 10 10 ARG HE H 5.394 0.030 1 37 10 10 ARG HG2 H 0.003 0.030 2 38 10 10 ARG HG3 H 0.490 0.030 2 39 10 10 ARG C C 171.795 0.300 1 40 10 10 ARG CA C 55.421 0.300 1 41 10 10 ARG CB C 32.986 0.300 1 42 10 10 ARG CD C 41.544 0.300 1 43 10 10 ARG CG C 26.670 0.300 1 44 10 10 ARG N N 118.392 0.300 1 45 10 10 ARG NE N 83.476 0.300 1 46 11 11 ARG H H 8.052 0.030 1 47 11 11 ARG HA H 5.554 0.030 1 48 11 11 ARG HB2 H 1.490 0.030 2 49 11 11 ARG HB3 H 1.411 0.030 2 50 11 11 ARG HD2 H 3.455 0.030 2 51 11 11 ARG HD3 H 3.357 0.030 2 52 11 11 ARG HG2 H 1.573 0.030 1 53 11 11 ARG HG3 H 1.573 0.030 1 54 11 11 ARG C C 175.807 0.300 1 55 11 11 ARG CA C 53.196 0.300 1 56 11 11 ARG CB C 34.636 0.300 1 57 11 11 ARG CD C 44.268 0.300 1 58 11 11 ARG CG C 27.246 0.300 1 59 11 11 ARG N N 121.677 0.300 1 60 12 12 GLY H H 8.062 0.030 1 61 12 12 GLY HA2 H 3.390 0.030 2 62 12 12 GLY HA3 H 4.269 0.030 2 63 12 12 GLY C C 171.372 0.300 1 64 12 12 GLY CA C 46.042 0.300 1 65 12 12 GLY N N 108.382 0.300 1 66 13 13 TRP H H 8.845 0.030 1 67 13 13 TRP HA H 5.603 0.030 1 68 13 13 TRP HB2 H 3.397 0.030 2 69 13 13 TRP HB3 H 3.312 0.030 2 70 13 13 TRP HD1 H 7.774 0.030 1 71 13 13 TRP HE1 H 10.634 0.030 1 72 13 13 TRP HE3 H 7.644 0.030 1 73 13 13 TRP HH2 H 7.513 0.030 1 74 13 13 TRP HZ2 H 7.681 0.030 1 75 13 13 TRP HZ3 H 7.083 0.030 1 76 13 13 TRP C C 178.237 0.300 1 77 13 13 TRP CA C 57.908 0.300 1 78 13 13 TRP CB C 30.545 0.300 1 79 13 13 TRP CD1 C 128.132 0.300 1 80 13 13 TRP CE3 C 120.795 0.300 1 81 13 13 TRP CH2 C 124.710 0.300 1 82 13 13 TRP CZ2 C 114.896 0.300 1 83 13 13 TRP CZ3 C 121.698 0.300 1 84 13 13 TRP N N 121.406 0.300 1 85 13 13 TRP NE1 N 131.257 0.300 1 86 14 14 LEU H H 9.460 0.030 1 87 14 14 LEU HA H 4.779 0.030 1 88 14 14 LEU HB2 H 1.224 0.030 2 89 14 14 LEU HB3 H 0.539 0.030 2 90 14 14 LEU HD1 H -1.141 0.030 1 91 14 14 LEU HD2 H 0.349 0.030 1 92 14 14 LEU HG H 0.846 0.030 1 93 14 14 LEU C C 175.608 0.300 1 94 14 14 LEU CA C 54.779 0.300 1 95 14 14 LEU CB C 47.238 0.300 1 96 14 14 LEU CD1 C 23.747 0.300 2 97 14 14 LEU CD2 C 25.601 0.300 2 98 14 14 LEU CG C 26.208 0.300 1 99 14 14 LEU N N 123.126 0.300 1 100 15 15 THR H H 7.902 0.030 1 101 15 15 THR HA H 4.896 0.030 1 102 15 15 THR HB H 3.924 0.030 1 103 15 15 THR HG2 H 1.028 0.030 1 104 15 15 THR C C 174.436 0.300 1 105 15 15 THR CA C 62.273 0.300 1 106 15 15 THR CB C 70.651 0.300 1 107 15 15 THR CG2 C 21.346 0.300 1 108 15 15 THR N N 116.441 0.300 1 109 16 16 ILE H H 8.877 0.030 1 110 16 16 ILE HA H 4.479 0.030 1 111 16 16 ILE HB H 1.913 0.030 1 112 16 16 ILE HD1 H 0.190 0.030 1 113 16 16 ILE HG12 H 1.661 0.030 2 114 16 16 ILE HG13 H 0.517 0.030 2 115 16 16 ILE HG2 H 0.815 0.030 1 116 16 16 ILE C C 175.866 0.300 1 117 16 16 ILE CA C 61.464 0.300 1 118 16 16 ILE CB C 36.983 0.300 1 119 16 16 ILE CD1 C 12.896 0.300 1 120 16 16 ILE CG1 C 26.999 0.300 1 121 16 16 ILE CG2 C 18.407 0.300 1 122 16 16 ILE N N 125.713 0.300 1 123 17 17 ASN H H 8.855 0.030 1 124 17 17 ASN HA H 4.524 0.030 1 125 17 17 ASN HB2 H 2.132 0.030 2 126 17 17 ASN HB3 H 2.667 0.030 2 127 17 17 ASN HD21 H 6.617 0.030 2 128 17 17 ASN HD22 H 7.891 0.030 2 129 17 17 ASN C C 175.980 0.300 1 130 17 17 ASN CA C 54.497 0.300 1 131 17 17 ASN CB C 40.568 0.300 1 132 17 17 ASN N N 126.084 0.300 1 133 17 17 ASN ND2 N 112.683 0.300 1 134 18 18 ASN H H 8.492 0.030 1 135 18 18 ASN HA H 4.795 0.030 1 136 18 18 ASN HB2 H 2.572 0.030 2 137 18 18 ASN HB3 H 2.950 0.030 2 138 18 18 ASN HD21 H 7.447 0.030 2 139 18 18 ASN HD22 H 7.835 0.030 2 140 18 18 ASN C C 174.407 0.300 1 141 18 18 ASN CA C 52.949 0.300 1 142 18 18 ASN CB C 37.254 0.300 1 143 18 18 ASN N N 113.751 0.300 1 144 18 18 ASN ND2 N 114.219 0.300 1 145 19 19 ILE H H 7.128 0.030 1 146 19 19 ILE HA H 4.258 0.030 1 147 19 19 ILE HB H 1.766 0.030 1 148 19 19 ILE HD1 H 0.953 0.030 1 149 19 19 ILE HG12 H 1.512 0.030 2 150 19 19 ILE HG13 H 1.216 0.030 2 151 19 19 ILE HG2 H 0.980 0.030 1 152 19 19 ILE C C 175.564 0.300 1 153 19 19 ILE CA C 61.429 0.300 1 154 19 19 ILE CB C 39.437 0.300 1 155 19 19 ILE CD1 C 14.103 0.300 1 156 19 19 ILE CG1 C 27.887 0.300 1 157 19 19 ILE CG2 C 17.702 0.300 1 158 19 19 ILE N N 117.227 0.300 1 159 20 20 SER H H 8.409 0.030 1 160 20 20 SER HA H 4.444 0.030 1 161 20 20 SER HB2 H 3.930 0.030 2 162 20 20 SER HB3 H 3.845 0.030 2 163 20 20 SER C C 174.966 0.300 1 164 20 20 SER CA C 58.273 0.300 1 165 20 20 SER CB C 63.744 0.300 1 166 20 20 SER N N 119.352 0.300 1 167 21 21 LEU H H 8.459 0.030 1 168 21 21 LEU HA H 4.348 0.030 1 169 21 21 LEU HB2 H 1.649 0.030 1 170 21 21 LEU HB3 H 1.649 0.030 1 171 21 21 LEU HD1 H 0.906 0.030 1 172 21 21 LEU HD2 H 0.887 0.030 1 173 21 21 LEU HG H 1.615 0.030 1 174 21 21 LEU C C 178.017 0.300 1 175 21 21 LEU CA C 55.694 0.300 1 176 21 21 LEU CB C 42.418 0.300 1 177 21 21 LEU CD1 C 25.108 0.300 2 178 21 21 LEU CD2 C 23.729 0.300 2 179 21 21 LEU CG C 27.037 0.300 1 180 21 21 LEU N N 124.643 0.300 1 181 22 22 MET H H 8.274 0.030 1 182 22 22 MET HA H 4.258 0.030 1 183 22 22 MET HE H 2.103 0.030 1 184 22 22 MET HG2 H 2.314 0.030 2 185 22 22 MET HG3 H 2.295 0.030 2 186 22 22 MET CA C 55.870 0.300 1 187 22 22 MET CB C 33.167 0.300 1 188 22 22 MET CE C 17.117 0.300 1 189 22 22 MET CG C 33.887 0.300 1 190 22 22 MET N N 120.108 0.300 1 191 23 23 LYS H H 7.554 0.030 1 192 23 23 LYS HA H 4.277 0.030 1 193 23 23 LYS HB2 H 1.905 0.030 2 194 23 23 LYS HB3 H 1.808 0.030 2 195 23 23 LYS HD2 H 1.702 0.030 1 196 23 23 LYS HD3 H 1.702 0.030 1 197 23 23 LYS HE2 H 2.997 0.030 1 198 23 23 LYS HE3 H 2.997 0.030 1 199 23 23 LYS HG2 H 1.403 0.030 2 200 23 23 LYS HG3 H 1.464 0.030 2 201 23 23 LYS CA C 56.891 0.300 1 202 23 23 LYS CB C 32.101 0.300 1 203 23 23 LYS CD C 29.127 0.300 1 204 23 23 LYS CE C 42.234 0.300 1 205 23 23 LYS CG C 24.945 0.300 1 206 24 24 GLY HA2 H 3.857 0.030 2 207 24 24 GLY HA3 H 4.205 0.030 2 208 24 24 GLY C C 174.656 0.300 1 209 24 24 GLY CA C 45.420 0.300 1 210 25 25 GLY H H 8.168 0.030 1 211 25 25 GLY HA2 H 4.037 0.030 1 212 25 25 GLY HA3 H 4.037 0.030 1 213 25 25 GLY C C 173.176 0.300 1 214 25 25 GLY CA C 44.786 0.300 1 215 25 25 GLY N N 108.318 0.300 1 216 26 26 SER H H 8.200 0.030 1 217 26 26 SER HA H 4.574 0.030 1 218 26 26 SER HB2 H 3.808 0.030 1 219 26 26 SER HB3 H 3.808 0.030 1 220 26 26 SER C C 174.183 0.300 1 221 26 26 SER CA C 57.903 0.300 1 222 26 26 SER CB C 64.333 0.300 1 223 26 26 SER N N 114.559 0.300 1 224 27 27 LYS H H 8.354 0.030 1 225 27 27 LYS HA H 4.529 0.030 1 226 27 27 LYS HB2 H 1.728 0.030 2 227 27 27 LYS HB3 H 1.942 0.030 2 228 27 27 LYS HD2 H 1.754 0.030 1 229 27 27 LYS HD3 H 1.754 0.030 1 230 27 27 LYS HE2 H 3.021 0.030 1 231 27 27 LYS HE3 H 3.021 0.030 1 232 27 27 LYS HG2 H 1.383 0.030 2 233 27 27 LYS HG3 H 0.904 0.030 2 234 27 27 LYS C C 173.895 0.300 1 235 27 27 LYS CA C 55.870 0.300 1 236 27 27 LYS CB C 34.400 0.300 1 237 27 27 LYS CD C 29.088 0.300 1 238 27 27 LYS CE C 42.462 0.300 1 239 27 27 LYS CG C 25.057 0.300 1 240 27 27 LYS N N 121.967 0.300 1 241 28 28 GLU H H 7.947 0.030 1 242 28 28 GLU HA H 5.199 0.030 1 243 28 28 GLU HB2 H 2.042 0.030 2 244 28 28 GLU HB3 H 1.917 0.030 2 245 28 28 GLU HG2 H 2.325 0.030 2 246 28 28 GLU HG3 H 2.196 0.030 2 247 28 28 GLU C C 175.069 0.300 1 248 28 28 GLU CA C 55.553 0.300 1 249 28 28 GLU CB C 31.522 0.300 1 250 28 28 GLU CG C 36.456 0.300 1 251 28 28 GLU N N 120.882 0.300 1 252 29 29 TYR H H 9.152 0.030 1 253 29 29 TYR HA H 5.191 0.030 1 254 29 29 TYR HB2 H 2.502 0.030 2 255 29 29 TYR HB3 H 3.321 0.030 2 256 29 29 TYR HD1 H 7.112 0.030 1 257 29 29 TYR HD2 H 7.112 0.030 1 258 29 29 TYR HE1 H 6.806 0.030 1 259 29 29 TYR HE2 H 6.806 0.030 1 260 29 29 TYR C C 172.259 0.300 1 261 29 29 TYR CA C 57.488 0.300 1 262 29 29 TYR CB C 43.321 0.300 1 263 29 29 TYR CD1 C 133.563 0.300 1 264 29 29 TYR CD2 C 133.563 0.300 1 265 29 29 TYR CE1 C 118.192 0.300 1 266 29 29 TYR CE2 C 118.192 0.300 1 267 29 29 TYR N N 119.519 0.300 1 268 30 30 TRP H H 8.380 0.030 1 269 30 30 TRP HA H 4.436 0.030 1 270 30 30 TRP HB2 H 1.421 0.030 2 271 30 30 TRP HB3 H 2.550 0.030 2 272 30 30 TRP HD1 H 6.468 0.030 1 273 30 30 TRP HE1 H 11.059 0.030 1 274 30 30 TRP HE3 H 5.290 0.030 1 275 30 30 TRP HH2 H 7.059 0.030 1 276 30 30 TRP HZ2 H 7.131 0.030 1 277 30 30 TRP HZ3 H 6.912 0.030 1 278 30 30 TRP C C 175.116 0.300 1 279 30 30 TRP CA C 55.974 0.300 1 280 30 30 TRP CB C 29.543 0.300 1 281 30 30 TRP CD1 C 127.754 0.300 1 282 30 30 TRP CE3 C 119.745 0.300 1 283 30 30 TRP CH2 C 123.535 0.300 1 284 30 30 TRP CZ2 C 114.413 0.300 1 285 30 30 TRP CZ3 C 121.845 0.300 1 286 30 30 TRP N N 123.856 0.300 1 287 30 30 TRP NE1 N 130.517 0.300 1 288 31 31 PHE H H 9.127 0.030 1 289 31 31 PHE HA H 5.210 0.030 1 290 31 31 PHE HB2 H 3.130 0.030 2 291 31 31 PHE HB3 H 2.539 0.030 2 292 31 31 PHE HD1 H 7.154 0.030 1 293 31 31 PHE HD2 H 7.154 0.030 1 294 31 31 PHE HE1 H 6.513 0.030 1 295 31 31 PHE HE2 H 6.513 0.030 1 296 31 31 PHE HZ H 5.720 0.030 1 297 31 31 PHE C C 175.295 0.300 1 298 31 31 PHE CA C 57.312 0.300 1 299 31 31 PHE CB C 42.408 0.300 1 300 31 31 PHE CD1 C 131.443 0.300 1 301 31 31 PHE CD2 C 131.443 0.300 1 302 31 31 PHE CE1 C 131.275 0.300 1 303 31 31 PHE CE2 C 131.275 0.300 1 304 31 31 PHE CZ C 128.756 0.300 1 305 31 31 PHE N N 128.653 0.300 1 306 32 32 VAL H H 9.287 0.030 1 307 32 32 VAL HA H 4.441 0.030 1 308 32 32 VAL HB H 2.139 0.030 1 309 32 32 VAL HG1 H 0.952 0.030 1 310 32 32 VAL HG2 H 0.872 0.030 1 311 32 32 VAL C C 175.394 0.300 1 312 32 32 VAL CA C 62.348 0.300 1 313 32 32 VAL CB C 35.711 0.300 1 314 32 32 VAL CG1 C 22.062 0.300 2 315 32 32 VAL CG2 C 21.704 0.300 2 316 32 32 VAL N N 117.392 0.300 1 317 33 33 LEU H H 9.499 0.030 1 318 33 33 LEU HA H 5.423 0.030 1 319 33 33 LEU HB2 H 1.927 0.030 2 320 33 33 LEU HB3 H 1.296 0.030 2 321 33 33 LEU HD1 H 0.955 0.030 1 322 33 33 LEU HD2 H 0.079 0.030 1 323 33 33 LEU HG H 1.319 0.030 1 324 33 33 LEU C C 175.449 0.300 1 325 33 33 LEU CA C 53.759 0.300 1 326 33 33 LEU CB C 45.387 0.300 1 327 33 33 LEU CD1 C 24.368 0.300 2 328 33 33 LEU CD2 C 26.247 0.300 2 329 33 33 LEU CG C 27.436 0.300 1 330 33 33 LEU N N 132.924 0.300 1 331 34 34 THR H H 9.213 0.030 1 332 34 34 THR HA H 4.917 0.030 1 333 34 34 THR HB H 4.713 0.030 1 334 34 34 THR HG2 H 1.236 0.030 1 335 34 34 THR C C 171.800 0.300 1 336 34 34 THR CA C 59.529 0.300 1 337 34 34 THR CB C 71.488 0.300 1 338 34 34 THR CG2 C 21.751 0.300 1 339 34 34 THR N N 120.573 0.300 1 340 35 35 ALA H H 8.415 0.030 1 341 35 35 ALA HA H 4.202 0.030 1 342 35 35 ALA HB H 1.492 0.030 1 343 35 35 ALA C C 177.466 0.300 1 344 35 35 ALA CA C 53.668 0.300 1 345 35 35 ALA CB C 18.534 0.300 1 346 35 35 ALA N N 114.893 0.300 1 347 36 36 GLU H H 8.149 0.030 1 348 36 36 GLU HA H 4.535 0.030 1 349 36 36 GLU HB2 H 2.038 0.030 2 350 36 36 GLU HB3 H 1.935 0.030 2 351 36 36 GLU HG2 H 2.260 0.030 2 352 36 36 GLU HG3 H 2.195 0.030 2 353 36 36 GLU C C 176.829 0.300 1 354 36 36 GLU CA C 56.714 0.300 1 355 36 36 GLU CB C 32.534 0.300 1 356 36 36 GLU CG C 36.365 0.300 1 357 36 36 GLU N N 112.080 0.300 1 358 37 37 SER H H 7.979 0.030 1 359 37 37 SER HA H 4.925 0.030 1 360 37 37 SER HB2 H 3.804 0.030 2 361 37 37 SER HB3 H 3.418 0.030 2 362 37 37 SER C C 171.104 0.300 1 363 37 37 SER CA C 58.086 0.300 1 364 37 37 SER CB C 66.494 0.300 1 365 37 37 SER N N 113.793 0.300 1 366 38 38 LEU H H 9.133 0.030 1 367 38 38 LEU HA H 5.423 0.030 1 368 38 38 LEU HB2 H 2.329 0.030 2 369 38 38 LEU HB3 H 1.472 0.030 2 370 38 38 LEU HD1 H 1.337 0.030 1 371 38 38 LEU HD2 H 1.093 0.030 1 372 38 38 LEU HG H 1.927 0.030 1 373 38 38 LEU C C 174.878 0.300 1 374 38 38 LEU CA C 53.759 0.300 1 375 38 38 LEU CB C 45.416 0.300 1 376 38 38 LEU CD1 C 24.121 0.300 2 377 38 38 LEU CD2 C 26.095 0.300 2 378 38 38 LEU CG C 27.904 0.300 1 379 38 38 LEU N N 122.482 0.300 1 380 39 39 SER H H 9.056 0.030 1 381 39 39 SER HA H 5.489 0.030 1 382 39 39 SER HB2 H 3.700 0.030 2 383 39 39 SER HB3 H 3.461 0.030 2 384 39 39 SER C C 172.388 0.300 1 385 39 39 SER CA C 57.066 0.300 1 386 39 39 SER CB C 66.476 0.300 1 387 39 39 SER N N 121.430 0.300 1 388 40 40 TRP H H 7.909 0.030 1 389 40 40 TRP HA H 5.772 0.030 1 390 40 40 TRP HB2 H 1.873 0.030 2 391 40 40 TRP HB3 H 1.605 0.030 2 392 40 40 TRP HD1 H 5.582 0.030 1 393 40 40 TRP HE1 H 9.034 0.030 1 394 40 40 TRP HE3 H 6.859 0.030 1 395 40 40 TRP HH2 H 6.277 0.030 1 396 40 40 TRP HZ2 H 5.854 0.030 1 397 40 40 TRP HZ3 H 6.712 0.030 1 398 40 40 TRP C C 174.852 0.300 1 399 40 40 TRP CA C 55.527 0.300 1 400 40 40 TRP CB C 30.289 0.300 1 401 40 40 TRP CD1 C 126.285 0.300 1 402 40 40 TRP CE3 C 122.311 0.300 1 403 40 40 TRP CH2 C 123.535 0.300 1 404 40 40 TRP CZ2 C 113.720 0.300 1 405 40 40 TRP CZ3 C 119.813 0.300 1 406 40 40 TRP N N 117.995 0.300 1 407 40 40 TRP NE1 N 126.879 0.300 1 408 41 41 TYR H H 9.604 0.030 1 409 41 41 TYR HA H 5.245 0.030 1 410 41 41 TYR HB2 H 3.228 0.030 2 411 41 41 TYR HB3 H 3.316 0.030 2 412 41 41 TYR HD1 H 6.963 0.030 1 413 41 41 TYR HD2 H 6.963 0.030 1 414 41 41 TYR HE1 H 6.665 0.030 1 415 41 41 TYR HE2 H 6.665 0.030 1 416 41 41 TYR C C 175.718 0.300 1 417 41 41 TYR CA C 56.679 0.300 1 418 41 41 TYR CB C 43.857 0.300 1 419 41 41 TYR CE1 C 118.611 0.300 1 420 41 41 TYR CE2 C 118.611 0.300 1 421 41 41 TYR N N 118.623 0.300 1 422 42 42 LYS H H 8.789 0.030 1 423 42 42 LYS HA H 4.457 0.030 1 424 42 42 LYS HB2 H 2.099 0.030 2 425 42 42 LYS HB3 H 2.061 0.030 2 426 42 42 LYS HD2 H 1.798 0.030 2 427 42 42 LYS HD3 H 1.907 0.030 2 428 42 42 LYS HE2 H 3.107 0.030 1 429 42 42 LYS HE3 H 3.107 0.030 1 430 42 42 LYS HG2 H 1.601 0.030 2 431 42 42 LYS HG3 H 1.752 0.030 2 432 42 42 LYS C C 175.506 0.300 1 433 42 42 LYS CA C 59.544 0.300 1 434 42 42 LYS CB C 34.424 0.300 1 435 42 42 LYS CD C 29.631 0.300 1 436 42 42 LYS CE C 42.130 0.300 1 437 42 42 LYS CG C 25.190 0.300 1 438 42 42 LYS N N 119.616 0.300 1 439 43 43 ASP H H 8.008 0.030 1 440 43 43 ASP HA H 4.808 0.030 1 441 43 43 ASP HB2 H 3.179 0.030 2 442 43 43 ASP HB3 H 3.067 0.030 2 443 43 43 ASP C C 174.828 0.300 1 444 43 43 ASP CA C 52.949 0.300 1 445 43 43 ASP CB C 42.187 0.300 1 446 43 43 ASP N N 110.313 0.300 1 447 44 44 GLU H H 8.467 0.030 1 448 44 44 GLU HA H 1.651 0.030 1 449 44 44 GLU HB2 H 0.923 0.030 2 450 44 44 GLU HB3 H 0.876 0.030 2 451 44 44 GLU HG2 H 1.161 0.030 2 452 44 44 GLU HG3 H 0.995 0.030 2 453 44 44 GLU C C 176.611 0.300 1 454 44 44 GLU CA C 56.855 0.300 1 455 44 44 GLU CB C 28.007 0.300 1 456 44 44 GLU CG C 35.158 0.300 1 457 44 44 GLU N N 116.083 0.300 1 458 45 45 GLU H H 8.007 0.030 1 459 45 45 GLU HA H 3.868 0.030 1 460 45 45 GLU HB2 H 2.072 0.030 2 461 45 45 GLU HB3 H 1.944 0.030 2 462 45 45 GLU HG2 H 2.235 0.030 2 463 45 45 GLU HG3 H 2.071 0.030 2 464 45 45 GLU C C 176.616 0.300 1 465 45 45 GLU CA C 57.531 0.300 1 466 45 45 GLU CB C 29.137 0.300 1 467 45 45 GLU CG C 37.184 0.300 1 468 45 45 GLU N N 118.000 0.300 1 469 46 46 GLU H H 7.699 0.030 1 470 46 46 GLU HA H 2.788 0.030 1 471 46 46 GLU HB2 H 1.685 0.030 2 472 46 46 GLU HB3 H 1.280 0.030 2 473 46 46 GLU HG2 H 1.796 0.030 2 474 46 46 GLU HG3 H 1.131 0.030 2 475 46 46 GLU C C 174.674 0.300 1 476 46 46 GLU CA C 57.316 0.300 1 477 46 46 GLU CB C 25.355 0.300 1 478 46 46 GLU CG C 36.493 0.300 1 479 46 46 GLU N N 111.231 0.300 1 480 47 47 LYS H H 8.816 0.030 1 481 47 47 LYS HA H 4.436 0.030 1 482 47 47 LYS HB2 H 1.857 0.030 2 483 47 47 LYS HB3 H 1.804 0.030 2 484 47 47 LYS HD2 H 1.645 0.030 1 485 47 47 LYS HD3 H 1.645 0.030 1 486 47 47 LYS HE2 H 2.949 0.030 1 487 47 47 LYS HE3 H 2.949 0.030 1 488 47 47 LYS HG2 H 1.306 0.030 2 489 47 47 LYS HG3 H 1.405 0.030 2 490 47 47 LYS C C 177.540 0.300 1 491 47 47 LYS CA C 57.242 0.300 1 492 47 47 LYS CB C 34.020 0.300 1 493 47 47 LYS CD C 28.973 0.300 1 494 47 47 LYS CE C 42.295 0.300 1 495 47 47 LYS CG C 25.152 0.300 1 496 47 47 LYS N N 117.679 0.300 1 497 48 48 GLU H H 8.350 0.030 1 498 48 48 GLU HA H 4.660 0.030 1 499 48 48 GLU HB2 H 2.076 0.030 2 500 48 48 GLU HB3 H 1.992 0.030 2 501 48 48 GLU HG2 H 2.051 0.030 2 502 48 48 GLU HG3 H 2.232 0.030 2 503 48 48 GLU C C 174.372 0.300 1 504 48 48 GLU CA C 55.025 0.300 1 505 48 48 GLU CB C 30.289 0.300 1 506 48 48 GLU CG C 36.371 0.300 1 507 48 48 GLU N N 121.326 0.300 1 508 49 49 LYS H H 8.845 0.030 1 509 49 49 LYS HA H 3.652 0.030 1 510 49 49 LYS HB2 H 1.474 0.030 2 511 49 49 LYS HB3 H 1.619 0.030 2 512 49 49 LYS HD2 H 1.379 0.030 1 513 49 49 LYS HD3 H 1.379 0.030 1 514 49 49 LYS HE2 H 2.780 0.030 2 515 49 49 LYS HE3 H 2.732 0.030 2 516 49 49 LYS HG2 H 0.387 0.030 2 517 49 49 LYS HG3 H 0.737 0.030 2 518 49 49 LYS C C 176.299 0.300 1 519 49 49 LYS CA C 57.137 0.300 1 520 49 49 LYS CB C 32.656 0.300 1 521 49 49 LYS CD C 29.437 0.300 1 522 49 49 LYS CE C 41.471 0.300 1 523 49 49 LYS CG C 24.705 0.300 1 524 49 49 LYS N N 128.517 0.300 1 525 50 50 LYS H H 9.355 0.030 1 526 50 50 LYS HA H 4.232 0.030 1 527 50 50 LYS HB2 H 1.385 0.030 2 528 50 50 LYS HB3 H 1.113 0.030 2 529 50 50 LYS HD2 H 1.645 0.030 1 530 50 50 LYS HD3 H 1.645 0.030 1 531 50 50 LYS HE2 H 2.909 0.030 2 532 50 50 LYS HE3 H 3.120 0.030 2 533 50 50 LYS HG2 H 1.222 0.030 1 534 50 50 LYS HG3 H 1.222 0.030 1 535 50 50 LYS C C 176.497 0.300 1 536 50 50 LYS CA C 55.096 0.300 1 537 50 50 LYS CB C 31.138 0.300 1 538 50 50 LYS CD C 27.246 0.300 1 539 50 50 LYS CE C 41.719 0.300 1 540 50 50 LYS CG C 23.381 0.300 1 541 50 50 LYS N N 127.325 0.300 1 542 51 51 TYR H H 6.696 0.030 1 543 51 51 TYR HA H 3.822 0.030 1 544 51 51 TYR HB2 H 1.849 0.030 2 545 51 51 TYR HB3 H 0.011 0.030 2 546 51 51 TYR HD1 H 6.857 0.030 1 547 51 51 TYR HD2 H 6.857 0.030 1 548 51 51 TYR HE1 H 6.950 0.030 1 549 51 51 TYR HE2 H 6.950 0.030 1 550 51 51 TYR C C 171.269 0.300 1 551 51 51 TYR CA C 58.636 0.300 1 552 51 51 TYR CB C 40.757 0.300 1 553 51 51 TYR CD1 C 133.920 0.300 1 554 51 51 TYR CD2 C 133.920 0.300 1 555 51 51 TYR CE1 C 118.381 0.300 1 556 51 51 TYR CE2 C 118.381 0.300 1 557 51 51 TYR N N 117.395 0.300 1 558 52 52 MET H H 6.213 0.030 1 559 52 52 MET HA H 4.519 0.030 1 560 52 52 MET HB2 H 1.409 0.030 2 561 52 52 MET HB3 H 1.694 0.030 2 562 52 52 MET HE H 1.901 0.030 1 563 52 52 MET HG2 H 2.369 0.030 2 564 52 52 MET HG3 H 1.984 0.030 2 565 52 52 MET C C 171.721 0.300 1 566 52 52 MET CA C 55.025 0.300 1 567 52 52 MET CB C 35.305 0.300 1 568 52 52 MET CE C 16.903 0.300 1 569 52 52 MET CG C 31.275 0.300 1 570 52 52 MET N N 121.526 0.300 1 571 53 53 LEU H H 9.315 0.030 1 572 53 53 LEU HA H 5.053 0.030 1 573 53 53 LEU HB2 H 1.694 0.030 2 574 53 53 LEU HB3 H 2.450 0.030 2 575 53 53 LEU HD1 H 1.294 0.030 1 576 53 53 LEU HD2 H 1.151 0.030 1 577 53 53 LEU HG H 2.030 0.030 1 578 53 53 LEU C C 173.353 0.300 1 579 53 53 LEU CA C 51.120 0.300 1 580 53 53 LEU CB C 45.666 0.300 1 581 53 53 LEU CD1 C 25.074 0.300 2 582 53 53 LEU CD2 C 26.585 0.300 2 583 53 53 LEU CG C 26.557 0.300 1 584 53 53 LEU N N 128.567 0.300 1 585 54 54 PRO HA H 4.591 0.030 1 586 54 54 PRO HB2 H 2.011 0.030 2 587 54 54 PRO HB3 H 2.523 0.030 2 588 54 54 PRO HD2 H 3.799 0.030 2 589 54 54 PRO HD3 H 4.021 0.030 2 590 54 54 PRO HG2 H 2.175 0.030 2 591 54 54 PRO HG3 H 1.940 0.030 2 592 54 54 PRO C C 177.047 0.300 1 593 54 54 PRO CA C 62.449 0.300 1 594 54 54 PRO CB C 32.427 0.300 1 595 54 54 PRO CD C 51.243 0.300 1 596 54 54 PRO CG C 27.910 0.300 1 597 55 55 LEU H H 7.593 0.030 1 598 55 55 LEU HA H 4.242 0.030 1 599 55 55 LEU HB2 H 1.621 0.030 2 600 55 55 LEU HB3 H 1.558 0.030 2 601 55 55 LEU HD1 H 0.934 0.030 1 602 55 55 LEU HD2 H 0.831 0.030 1 603 55 55 LEU HG H 1.337 0.030 1 604 55 55 LEU C C 177.458 0.300 1 605 55 55 LEU CA C 55.412 0.300 1 606 55 55 LEU CB C 40.897 0.300 1 607 55 55 LEU CD1 C 26.219 0.300 2 608 55 55 LEU CD2 C 22.562 0.300 2 609 55 55 LEU CG C 27.141 0.300 1 610 55 55 LEU N N 117.890 0.300 1 611 56 56 ASP H H 7.753 0.030 1 612 56 56 ASP HA H 4.218 0.030 1 613 56 56 ASP HB2 H 2.497 0.030 2 614 56 56 ASP HB3 H 2.437 0.030 2 615 56 56 ASP C C 176.047 0.300 1 616 56 56 ASP CA C 55.623 0.300 1 617 56 56 ASP CB C 40.973 0.300 1 618 56 56 ASP N N 117.672 0.300 1 619 57 57 ASN H H 8.935 0.030 1 620 57 57 ASN HA H 4.359 0.030 1 621 57 57 ASN HB2 H 3.156 0.030 2 622 57 57 ASN HB3 H 3.038 0.030 2 623 57 57 ASN HD21 H 6.894 0.030 2 624 57 57 ASN HD22 H 7.596 0.030 2 625 57 57 ASN C C 173.066 0.300 1 626 57 57 ASN CA C 54.779 0.300 1 627 57 57 ASN CB C 37.525 0.300 1 628 57 57 ASN N N 114.891 0.300 1 629 57 57 ASN ND2 N 114.174 0.300 1 630 58 58 LEU H H 7.550 0.030 1 631 58 58 LEU HA H 5.160 0.030 1 632 58 58 LEU HB2 H 1.790 0.030 2 633 58 58 LEU HB3 H 1.133 0.030 2 634 58 58 LEU HD1 H 0.935 0.030 1 635 58 58 LEU HD2 H 0.766 0.030 1 636 58 58 LEU HG H 1.657 0.030 1 637 58 58 LEU C C 176.951 0.300 1 638 58 58 LEU CA C 54.146 0.300 1 639 58 58 LEU CB C 43.302 0.300 1 640 58 58 LEU CD1 C 26.614 0.300 2 641 58 58 LEU CD2 C 22.591 0.300 2 642 58 58 LEU CG C 26.214 0.300 1 643 58 58 LEU N N 116.390 0.300 1 644 59 59 LYS H H 8.261 0.030 1 645 59 59 LYS HA H 4.266 0.030 1 646 59 59 LYS HB2 H 0.758 0.030 2 647 59 59 LYS HB3 H 0.946 0.030 2 648 59 59 LYS HD2 H 1.637 0.030 2 649 59 59 LYS HD3 H 1.806 0.030 2 650 59 59 LYS HE2 H 2.998 0.030 2 651 59 59 LYS HE3 H 3.050 0.030 2 652 59 59 LYS HG2 H 1.232 0.030 2 653 59 59 LYS HG3 H 1.306 0.030 2 654 59 59 LYS C C 173.073 0.300 1 655 59 59 LYS CA C 54.607 0.300 1 656 59 59 LYS CB C 37.003 0.300 1 657 59 59 LYS CD C 28.852 0.300 1 658 59 59 LYS CE C 42.130 0.300 1 659 59 59 LYS CG C 25.108 0.300 1 660 59 59 LYS N N 120.654 0.300 1 661 60 60 ILE H H 7.923 0.030 1 662 60 60 ILE HA H 5.362 0.030 1 663 60 60 ILE HB H 1.615 0.030 1 664 60 60 ILE HD1 H 0.212 0.030 1 665 60 60 ILE HG12 H 1.177 0.030 2 666 60 60 ILE HG13 H 0.908 0.030 2 667 60 60 ILE HG2 H 0.744 0.030 1 668 60 60 ILE C C 176.885 0.300 1 669 60 60 ILE CA C 58.691 0.300 1 670 60 60 ILE CB C 39.924 0.300 1 671 60 60 ILE CD1 C 12.855 0.300 1 672 60 60 ILE CG1 C 28.504 0.300 1 673 60 60 ILE CG2 C 18.141 0.300 1 674 60 60 ILE N N 119.140 0.300 1 675 61 61 ARG H H 9.233 0.030 1 676 61 61 ARG HA H 4.883 0.030 1 677 61 61 ARG HB2 H 1.940 0.030 2 678 61 61 ARG HB3 H 1.873 0.030 2 679 61 61 ARG HD2 H 2.752 0.030 2 680 61 61 ARG HD3 H 2.926 0.030 2 681 61 61 ARG HG2 H 1.482 0.030 2 682 61 61 ARG HG3 H 1.450 0.030 2 683 61 61 ARG C C 174.386 0.300 1 684 61 61 ARG CA C 54.181 0.300 1 685 61 61 ARG CB C 33.989 0.300 1 686 61 61 ARG CD C 43.282 0.300 1 687 61 61 ARG CG C 26.154 0.300 1 688 61 61 ARG N N 123.253 0.300 1 689 62 62 ASP H H 8.547 0.030 1 690 62 62 ASP HA H 4.851 0.030 1 691 62 62 ASP HB2 H 2.471 0.030 2 692 62 62 ASP HB3 H 2.721 0.030 2 693 62 62 ASP C C 176.026 0.300 1 694 62 62 ASP CA C 55.096 0.300 1 695 62 62 ASP CB C 41.966 0.300 1 696 62 62 ASP N N 121.447 0.300 1 697 63 63 VAL H H 7.944 0.030 1 698 63 63 VAL HA H 4.104 0.030 1 699 63 63 VAL HB H 1.708 0.030 1 700 63 63 VAL HG1 H 0.755 0.030 1 701 63 63 VAL HG2 H 0.670 0.030 1 702 63 63 VAL C C 175.143 0.300 1 703 63 63 VAL CA C 61.359 0.300 1 704 63 63 VAL CB C 33.491 0.300 1 705 63 63 VAL CG1 C 21.131 0.300 2 706 63 63 VAL CG2 C 21.721 0.300 2 707 63 63 VAL N N 119.686 0.300 1 708 64 64 GLU H H 8.581 0.030 1 709 64 64 GLU HA H 4.149 0.030 1 710 64 64 GLU HB2 H 1.964 0.030 2 711 64 64 GLU HB3 H 1.907 0.030 2 712 64 64 GLU HG2 H 2.237 0.030 1 713 64 64 GLU HG3 H 2.237 0.030 1 714 64 64 GLU C C 176.247 0.300 1 715 64 64 GLU CA C 56.996 0.300 1 716 64 64 GLU CB C 30.084 0.300 1 717 64 64 GLU CG C 36.127 0.300 1 718 64 64 GLU N N 126.130 0.300 1 719 65 65 LYS H H 8.392 0.030 1 720 65 65 LYS HA H 4.253 0.030 1 721 65 65 LYS HB2 H 1.786 0.030 2 722 65 65 LYS HB3 H 1.732 0.030 2 723 65 65 LYS HD2 H 1.589 0.030 1 724 65 65 LYS HD3 H 1.589 0.030 1 725 65 65 LYS HE2 H 2.877 0.030 1 726 65 65 LYS HE3 H 2.877 0.030 1 727 65 65 LYS HG2 H 1.415 0.030 1 728 65 65 LYS HG3 H 1.415 0.030 1 729 65 65 LYS C C 177.042 0.300 1 730 65 65 LYS CA C 56.503 0.300 1 731 65 65 LYS CB C 33.002 0.300 1 732 65 65 LYS CD C 29.220 0.300 1 733 65 65 LYS CE C 42.048 0.300 1 734 65 65 LYS CG C 24.532 0.300 1 735 65 65 LYS N N 123.109 0.300 1 736 66 66 GLY H H 8.412 0.030 1 737 66 66 GLY HA2 H 3.929 0.030 2 738 66 66 GLY HA3 H 3.808 0.030 2 739 66 66 GLY C C 174.204 0.300 1 740 66 66 GLY CA C 45.173 0.300 1 741 66 66 GLY N N 110.626 0.300 1 742 67 67 PHE H H 8.261 0.030 1 743 67 67 PHE HA H 4.527 0.030 1 744 67 67 PHE HB2 H 3.098 0.030 2 745 67 67 PHE HB3 H 3.054 0.030 2 746 67 67 PHE HD1 H 7.213 0.030 1 747 67 67 PHE HD2 H 7.213 0.030 1 748 67 67 PHE HE1 H 7.322 0.030 1 749 67 67 PHE HE2 H 7.322 0.030 1 750 67 67 PHE HZ H 7.285 0.030 1 751 67 67 PHE C C 176.151 0.300 1 752 67 67 PHE CA C 58.614 0.300 1 753 67 67 PHE CB C 39.252 0.300 1 754 67 67 PHE CD1 C 131.826 0.300 1 755 67 67 PHE CD2 C 131.826 0.300 1 756 67 67 PHE CE1 C 131.716 0.300 1 757 67 67 PHE CE2 C 131.716 0.300 1 758 67 67 PHE CZ C 130.037 0.300 1 759 67 67 PHE N N 120.865 0.300 1 760 68 68 MET H H 8.364 0.030 1 761 68 68 MET HA H 4.261 0.030 1 762 68 68 MET HB2 H 1.835 0.030 2 763 68 68 MET HB3 H 2.030 0.030 2 764 68 68 MET HE H 2.018 0.030 1 765 68 68 MET HG2 H 2.130 0.030 2 766 68 68 MET HG3 H 2.253 0.030 2 767 68 68 MET C C 175.672 0.300 1 768 68 68 MET CA C 55.518 0.300 1 769 68 68 MET CB C 32.016 0.300 1 770 68 68 MET CE C 16.808 0.300 1 771 68 68 MET CG C 32.016 0.300 1 772 68 68 MET N N 120.261 0.300 1 773 69 69 SER H H 7.923 0.030 1 774 69 69 SER HA H 4.314 0.030 1 775 69 69 SER HB2 H 3.804 0.030 2 776 69 69 SER HB3 H 3.748 0.030 2 777 69 69 SER C C 174.322 0.300 1 778 69 69 SER CA C 58.297 0.300 1 779 69 69 SER CB C 63.840 0.300 1 780 69 69 SER N N 114.946 0.300 1 781 70 70 ASN HA H 4.652 0.030 1 782 70 70 ASN HB2 H 2.858 0.030 2 783 70 70 ASN HB3 H 2.793 0.030 2 784 70 70 ASN HD21 H 7.558 0.030 2 785 70 70 ASN HD22 H 6.923 0.030 2 786 70 70 ASN C C 174.532 0.300 1 787 70 70 ASN CA C 53.174 0.300 1 788 70 70 ASN CB C 38.419 0.300 1 789 70 70 ASN ND2 N 112.638 0.300 1 790 71 71 LYS H H 7.726 0.030 1 791 71 71 LYS HA H 4.431 0.030 1 792 71 71 LYS HB2 H 1.603 0.030 2 793 71 71 LYS HB3 H 1.506 0.030 2 794 71 71 LYS HD2 H 1.558 0.030 2 795 71 71 LYS HD3 H 1.450 0.030 2 796 71 71 LYS HE2 H 2.869 0.030 1 797 71 71 LYS HE3 H 2.869 0.030 1 798 71 71 LYS HG2 H 1.306 0.030 1 799 71 71 LYS HG3 H 1.306 0.030 1 800 71 71 LYS C C 175.259 0.300 1 801 71 71 LYS CA C 55.236 0.300 1 802 71 71 LYS CB C 34.250 0.300 1 803 71 71 LYS CD C 28.853 0.300 1 804 71 71 LYS CE C 42.459 0.300 1 805 71 71 LYS CG C 24.697 0.300 1 806 71 71 LYS N N 118.520 0.300 1 807 72 72 HIS H H 8.524 0.030 1 808 72 72 HIS HA H 4.641 0.030 1 809 72 72 HIS HB2 H 2.852 0.030 1 810 72 72 HIS HB3 H 2.852 0.030 1 811 72 72 HIS HD2 H 6.729 0.030 1 812 72 72 HIS HE1 H 7.899 0.030 1 813 72 72 HIS C C 173.915 0.300 1 814 72 72 HIS CA C 55.447 0.300 1 815 72 72 HIS CB C 30.651 0.300 1 816 72 72 HIS CD2 C 121.170 0.300 1 817 72 72 HIS CE1 C 138.090 0.300 1 818 72 72 HIS N N 121.792 0.300 1 819 73 73 VAL H H 8.592 0.030 1 820 73 73 VAL HA H 5.306 0.030 1 821 73 73 VAL HB H 1.734 0.030 1 822 73 73 VAL HG1 H 0.680 0.030 1 823 73 73 VAL HG2 H 0.680 0.030 1 824 73 73 VAL C C 175.222 0.300 1 825 73 73 VAL CA C 60.409 0.300 1 826 73 73 VAL CB C 35.140 0.300 1 827 73 73 VAL CG1 C 21.783 0.300 1 828 73 73 VAL CG2 C 21.783 0.300 1 829 73 73 VAL N N 122.297 0.300 1 830 74 74 PHE H H 8.982 0.030 1 831 74 74 PHE HA H 5.045 0.030 1 832 74 74 PHE HB2 H 2.993 0.030 2 833 74 74 PHE HB3 H 2.945 0.030 2 834 74 74 PHE HD1 H 6.910 0.030 1 835 74 74 PHE HD2 H 6.910 0.030 1 836 74 74 PHE HE1 H 6.739 0.030 1 837 74 74 PHE HE2 H 6.739 0.030 1 838 74 74 PHE HZ H 6.486 0.030 1 839 74 74 PHE C C 170.769 0.300 1 840 74 74 PHE CA C 55.905 0.300 1 841 74 74 PHE CB C 40.897 0.300 1 842 74 74 PHE CD1 C 132.409 0.300 1 843 74 74 PHE CD2 C 132.409 0.300 1 844 74 74 PHE CE1 C 130.415 0.300 1 845 74 74 PHE CE2 C 130.415 0.300 1 846 74 74 PHE CZ C 128.924 0.300 1 847 74 74 PHE N N 124.168 0.300 1 848 75 75 ALA H H 9.185 0.030 1 849 75 75 ALA HA H 5.546 0.030 1 850 75 75 ALA HB H 1.008 0.030 1 851 75 75 ALA C C 175.919 0.300 1 852 75 75 ALA CA C 49.536 0.300 1 853 75 75 ALA CB C 22.870 0.300 1 854 75 75 ALA N N 121.312 0.300 1 855 76 76 ILE H H 8.383 0.030 1 856 76 76 ILE HA H 5.037 0.030 1 857 76 76 ILE HB H 1.446 0.030 1 858 76 76 ILE HD1 H 0.425 0.030 1 859 76 76 ILE HG12 H 1.310 0.030 2 860 76 76 ILE HG13 H 0.688 0.030 2 861 76 76 ILE HG2 H 0.742 0.030 1 862 76 76 ILE C C 174.658 0.300 1 863 76 76 ILE CA C 59.423 0.300 1 864 76 76 ILE CB C 40.524 0.300 1 865 76 76 ILE CD1 C 14.526 0.300 1 866 76 76 ILE CG1 C 26.996 0.300 1 867 76 76 ILE CG2 C 18.684 0.300 1 868 76 76 ILE N N 117.984 0.300 1 869 77 77 PHE H H 8.959 0.030 1 870 77 77 PHE HA H 5.144 0.030 1 871 77 77 PHE HB2 H 2.897 0.030 2 872 77 77 PHE HB3 H 3.287 0.030 2 873 77 77 PHE HD1 H 6.963 0.030 1 874 77 77 PHE HD2 H 6.963 0.030 1 875 77 77 PHE HE1 H 7.181 0.030 1 876 77 77 PHE HE2 H 7.181 0.030 1 877 77 77 PHE HZ H 6.992 0.030 1 878 77 77 PHE C C 170.446 0.300 1 879 77 77 PHE CA C 55.201 0.300 1 880 77 77 PHE CB C 42.187 0.300 1 881 77 77 PHE CD1 C 132.759 0.300 1 882 77 77 PHE CD2 C 132.759 0.300 1 883 77 77 PHE CE1 C 130.696 0.300 1 884 77 77 PHE CE2 C 130.696 0.300 1 885 77 77 PHE CZ C 130.582 0.300 1 886 77 77 PHE N N 123.991 0.300 1 887 78 78 ASN H H 9.114 0.030 1 888 78 78 ASN HA H 5.444 0.030 1 889 78 78 ASN HB2 H 2.356 0.030 2 890 78 78 ASN HB3 H 3.051 0.030 2 891 78 78 ASN HD21 H 7.330 0.030 2 892 78 78 ASN HD22 H 7.851 0.030 2 893 78 78 ASN C C 177.031 0.300 1 894 78 78 ASN CA C 51.634 0.300 1 895 78 78 ASN CB C 41.952 0.300 1 896 78 78 ASN N N 119.251 0.300 1 897 78 78 ASN ND2 N 115.868 0.300 1 898 79 79 THR H H 9.132 0.030 1 899 79 79 THR HA H 4.080 0.030 1 900 79 79 THR HB H 4.420 0.030 1 901 79 79 THR HG2 H 1.099 0.030 1 902 79 79 THR C C 175.933 0.300 1 903 79 79 THR CA C 64.701 0.300 1 904 79 79 THR CB C 68.519 0.300 1 905 79 79 THR CG2 C 22.560 0.300 1 906 79 79 THR N N 117.577 0.300 1 907 80 80 GLU H H 8.847 0.030 1 908 80 80 GLU HA H 4.500 0.030 1 909 80 80 GLU HB2 H 1.948 0.030 2 910 80 80 GLU HB3 H 2.256 0.030 2 911 80 80 GLU HG2 H 2.138 0.030 2 912 80 80 GLU HG3 H 2.253 0.030 2 913 80 80 GLU CA C 55.694 0.300 1 914 80 80 GLU CB C 30.132 0.300 1 915 80 80 GLU CG C 36.480 0.300 1 916 80 80 GLU N N 120.431 0.300 1 917 81 81 GLN HE21 H 6.801 0.030 2 918 81 81 GLN HE22 H 7.548 0.030 2 919 81 81 GLN HG2 H 2.283 0.030 1 920 81 81 GLN HG3 H 2.283 0.030 1 921 81 81 GLN NE2 N 112.236 0.300 1 922 82 82 ARG HA H 4.258 0.030 1 923 82 82 ARG HB2 H 1.810 0.030 2 924 82 82 ARG HB3 H 1.550 0.030 2 925 82 82 ARG HD2 H 3.164 0.030 1 926 82 82 ARG HD3 H 3.164 0.030 1 927 82 82 ARG HG2 H 1.558 0.030 1 928 82 82 ARG HG3 H 1.558 0.030 1 929 82 82 ARG C C 174.965 0.300 1 930 82 82 ARG CB C 31.157 0.300 1 931 82 82 ARG CD C 43.419 0.300 1 932 82 82 ARG CG C 27.247 0.300 1 933 83 83 ASN HA H 4.484 0.030 1 934 83 83 ASN HB2 H 2.564 0.030 1 935 83 83 ASN HB3 H 2.564 0.030 1 936 83 83 ASN HD21 H 6.710 0.030 2 937 83 83 ASN HD22 H 7.287 0.030 2 938 83 83 ASN CB C 37.926 0.300 1 939 83 83 ASN ND2 N 110.302 0.300 1 940 84 84 VAL H H 8.211 0.030 1 941 84 84 VAL HA H 4.261 0.030 1 942 84 84 VAL HB H 2.111 0.030 1 943 84 84 VAL HG1 H 1.010 0.030 1 944 84 84 VAL HG2 H 1.010 0.030 1 945 84 84 VAL C C 177.794 0.300 1 946 84 84 VAL CA C 62.229 0.300 1 947 84 84 VAL CB C 33.153 0.300 1 948 84 84 VAL CG1 C 22.019 0.300 1 949 84 84 VAL CG2 C 22.019 0.300 1 950 84 84 VAL N N 119.584 0.300 1 951 85 85 TYR H H 6.929 0.030 1 952 85 85 TYR HA H 4.428 0.030 1 953 85 85 TYR HB2 H 3.064 0.030 2 954 85 85 TYR HB3 H 2.441 0.030 2 955 85 85 TYR HD1 H 6.404 0.030 1 956 85 85 TYR HD2 H 6.404 0.030 1 957 85 85 TYR HE1 H 6.322 0.030 1 958 85 85 TYR HE2 H 6.322 0.030 1 959 85 85 TYR CA C 57.197 0.300 1 960 85 85 TYR CB C 41.167 0.300 1 961 85 85 TYR CD1 C 132.955 0.300 1 962 85 85 TYR CD2 C 132.955 0.300 1 963 85 85 TYR CE1 C 118.081 0.300 1 964 85 85 TYR CE2 C 118.081 0.300 1 965 85 85 TYR N N 119.466 0.300 1 966 86 86 LYS H H 8.614 0.030 1 967 86 86 LYS HA H 3.465 0.030 1 968 86 86 LYS HB2 H 1.520 0.030 2 969 86 86 LYS HB3 H 1.435 0.030 2 970 86 86 LYS HD2 H 1.365 0.030 2 971 86 86 LYS HD3 H 1.409 0.030 2 972 86 86 LYS HE2 H 2.853 0.030 2 973 86 86 LYS HE3 H 2.775 0.030 2 974 86 86 LYS HG2 H 0.673 0.030 2 975 86 86 LYS HG3 H 0.393 0.030 2 976 86 86 LYS CA C 58.157 0.300 1 977 86 86 LYS CB C 29.964 0.300 1 978 86 86 LYS CD C 29.161 0.300 1 979 86 86 LYS CE C 42.182 0.300 1 980 86 86 LYS CG C 24.826 0.300 1 981 86 86 LYS N N 124.682 0.300 1 982 87 87 ASP H H 8.430 0.030 1 983 87 87 ASP HA H 4.599 0.030 1 984 87 87 ASP HB2 H 2.788 0.030 2 985 87 87 ASP HB3 H 2.630 0.030 2 986 87 87 ASP C C 175.364 0.300 1 987 87 87 ASP CA C 53.547 0.300 1 988 87 87 ASP CB C 39.893 0.300 1 989 87 87 ASP N N 120.384 0.300 1 990 88 88 LEU H H 8.797 0.030 1 991 88 88 LEU HA H 4.489 0.030 1 992 88 88 LEU HB2 H 2.095 0.030 2 993 88 88 LEU HB3 H 1.556 0.030 2 994 88 88 LEU HD1 H 0.967 0.030 1 995 88 88 LEU HD2 H 0.903 0.030 1 996 88 88 LEU HG H 1.833 0.030 1 997 88 88 LEU C C 177.278 0.300 1 998 88 88 LEU CA C 54.497 0.300 1 999 88 88 LEU CB C 42.046 0.300 1 1000 88 88 LEU CD1 C 25.601 0.300 2 1001 88 88 LEU CD2 C 23.204 0.300 2 1002 88 88 LEU CG C 26.966 0.300 1 1003 88 88 LEU N N 120.886 0.300 1 1004 89 89 ARG H H 8.742 0.030 1 1005 89 89 ARG HA H 4.785 0.030 1 1006 89 89 ARG HB2 H 1.835 0.030 2 1007 89 89 ARG HB3 H 1.950 0.030 2 1008 89 89 ARG HD2 H 3.175 0.030 1 1009 89 89 ARG HD3 H 3.175 0.030 1 1010 89 89 ARG HG2 H 1.766 0.030 2 1011 89 89 ARG HG3 H 1.708 0.030 2 1012 89 89 ARG C C 176.266 0.300 1 1013 89 89 ARG CA C 57.418 0.300 1 1014 89 89 ARG CB C 30.507 0.300 1 1015 89 89 ARG CD C 43.035 0.300 1 1016 89 89 ARG CG C 27.328 0.300 1 1017 89 89 ARG N N 123.409 0.300 1 1018 90 90 GLN H H 7.615 0.030 1 1019 90 90 GLN HA H 5.269 0.030 1 1020 90 90 GLN HB2 H 2.098 0.030 2 1021 90 90 GLN HB3 H 1.706 0.030 2 1022 90 90 GLN HE21 H 6.582 0.030 2 1023 90 90 GLN HE22 H 8.053 0.030 2 1024 90 90 GLN HG2 H 1.893 0.030 2 1025 90 90 GLN HG3 H 2.232 0.030 2 1026 90 90 GLN CA C 53.196 0.300 1 1027 90 90 GLN CB C 31.012 0.300 1 1028 90 90 GLN CG C 31.196 0.300 1 1029 90 90 GLN N N 111.531 0.300 1 1030 90 90 GLN NE2 N 111.646 0.300 1 1031 91 91 ILE H H 8.659 0.030 1 1032 91 91 ILE HA H 4.405 0.030 1 1033 91 91 ILE HB H 1.385 0.030 1 1034 91 91 ILE HD1 H 0.522 0.030 1 1035 91 91 ILE HG12 H 1.454 0.030 2 1036 91 91 ILE HG13 H 0.736 0.030 2 1037 91 91 ILE HG2 H 0.577 0.030 1 1038 91 91 ILE C C 174.148 0.300 1 1039 91 91 ILE CA C 59.951 0.300 1 1040 91 91 ILE CB C 40.368 0.300 1 1041 91 91 ILE CD1 C 13.595 0.300 1 1042 91 91 ILE CG1 C 27.325 0.300 1 1043 91 91 ILE CG2 C 17.378 0.300 1 1044 91 91 ILE N N 119.924 0.300 1 1045 92 92 GLU H H 8.300 0.030 1 1046 92 92 GLU HA H 4.378 0.030 1 1047 92 92 GLU HB2 H 1.516 0.030 2 1048 92 92 GLU HB3 H 1.702 0.030 2 1049 92 92 GLU HG2 H 2.045 0.030 2 1050 92 92 GLU HG3 H 1.819 0.030 2 1051 92 92 GLU C C 173.736 0.300 1 1052 92 92 GLU CA C 54.744 0.300 1 1053 92 92 GLU CB C 30.839 0.300 1 1054 92 92 GLU CG C 36.687 0.300 1 1055 92 92 GLU N N 126.112 0.300 1 1056 93 93 LEU H H 8.602 0.030 1 1057 93 93 LEU HA H 4.723 0.030 1 1058 93 93 LEU HB2 H 0.209 0.030 2 1059 93 93 LEU HB3 H 0.117 0.030 2 1060 93 93 LEU HD1 H -0.054 0.030 1 1061 93 93 LEU HD2 H -0.069 0.030 1 1062 93 93 LEU HG H 0.797 0.030 1 1063 93 93 LEU C C 173.672 0.300 1 1064 93 93 LEU CA C 52.457 0.300 1 1065 93 93 LEU CB C 42.078 0.300 1 1066 93 93 LEU CD1 C 24.712 0.300 2 1067 93 93 LEU CD2 C 24.712 0.300 2 1068 93 93 LEU CG C 26.341 0.300 1 1069 93 93 LEU N N 126.594 0.300 1 1070 94 94 ALA H H 9.014 0.030 1 1071 94 94 ALA HA H 5.340 0.030 1 1072 94 94 ALA HB H 1.169 0.030 1 1073 94 94 ALA C C 176.961 0.300 1 1074 94 94 ALA CA C 49.712 0.300 1 1075 94 94 ALA CB C 23.090 0.300 1 1076 94 94 ALA N N 122.229 0.300 1 1077 95 95 CYS H H 8.925 0.030 1 1078 95 95 CYS HA H 5.042 0.030 1 1079 95 95 CYS HB2 H 3.017 0.030 2 1080 95 95 CYS HB3 H 3.474 0.030 2 1081 95 95 CYS C C 174.842 0.300 1 1082 95 95 CYS CA C 57.101 0.300 1 1083 95 95 CYS CB C 32.423 0.300 1 1084 95 95 CYS N N 117.839 0.300 1 1085 96 96 ASP H H 9.377 0.030 1 1086 96 96 ASP HA H 4.870 0.030 1 1087 96 96 ASP HB2 H 2.877 0.030 2 1088 96 96 ASP HB3 H 2.764 0.030 2 1089 96 96 ASP C C 175.891 0.300 1 1090 96 96 ASP CA C 56.221 0.300 1 1091 96 96 ASP CB C 42.048 0.300 1 1092 96 96 ASP N N 119.327 0.300 1 1093 97 97 SER H H 7.559 0.030 1 1094 97 97 SER HA H 4.418 0.030 1 1095 97 97 SER HB2 H 3.946 0.030 2 1096 97 97 SER HB3 H 4.130 0.030 2 1097 97 97 SER C C 173.475 0.300 1 1098 97 97 SER CA C 56.679 0.300 1 1099 97 97 SER CB C 66.389 0.300 1 1100 97 97 SER N N 109.781 0.300 1 1101 98 98 GLN H H 8.682 0.030 1 1102 98 98 GLN HA H 3.538 0.030 1 1103 98 98 GLN HB2 H 1.982 0.030 2 1104 98 98 GLN HB3 H 1.827 0.030 2 1105 98 98 GLN HE21 H 6.992 0.030 2 1106 98 98 GLN HE22 H 7.872 0.030 2 1107 98 98 GLN HG2 H 2.361 0.030 2 1108 98 98 GLN HG3 H 2.277 0.030 2 1109 98 98 GLN C C 177.284 0.300 1 1110 98 98 GLN CA C 57.568 0.300 1 1111 98 98 GLN CB C 28.494 0.300 1 1112 98 98 GLN CG C 33.278 0.300 1 1113 98 98 GLN N N 122.738 0.300 1 1114 98 98 GLN NE2 N 115.862 0.300 1 1115 99 99 GLU H H 8.752 0.030 1 1116 99 99 GLU HA H 4.066 0.030 1 1117 99 99 GLU HB2 H 2.055 0.030 2 1118 99 99 GLU HB3 H 1.923 0.030 2 1119 99 99 GLU HG2 H 2.400 0.030 2 1120 99 99 GLU HG3 H 2.293 0.030 2 1121 99 99 GLU C C 179.500 0.300 1 1122 99 99 GLU CA C 60.124 0.300 1 1123 99 99 GLU CB C 28.644 0.300 1 1124 99 99 GLU CG C 36.879 0.300 1 1125 99 99 GLU N N 118.793 0.300 1 1126 100 100 ASP H H 7.888 0.030 1 1127 100 100 ASP HA H 4.598 0.030 1 1128 100 100 ASP HB2 H 2.962 0.030 2 1129 100 100 ASP HB3 H 2.910 0.030 2 1130 100 100 ASP C C 178.375 0.300 1 1131 100 100 ASP CA C 57.418 0.300 1 1132 100 100 ASP CB C 40.946 0.300 1 1133 100 100 ASP N N 120.362 0.300 1 1134 101 101 VAL H H 7.593 0.030 1 1135 101 101 VAL HA H 3.841 0.030 1 1136 101 101 VAL HB H 2.284 0.030 1 1137 101 101 VAL HG1 H 0.971 0.030 1 1138 101 101 VAL HG2 H 1.155 0.030 1 1139 101 101 VAL C C 177.787 0.300 1 1140 101 101 VAL CA C 67.094 0.300 1 1141 101 101 VAL CB C 31.372 0.300 1 1142 101 101 VAL CG1 C 21.338 0.300 2 1143 101 101 VAL CG2 C 24.250 0.300 2 1144 101 101 VAL N N 121.785 0.300 1 1145 102 102 ASP H H 8.537 0.030 1 1146 102 102 ASP HA H 4.303 0.030 1 1147 102 102 ASP HB2 H 2.747 0.030 2 1148 102 102 ASP HB3 H 2.599 0.030 2 1149 102 102 ASP C C 179.852 0.300 1 1150 102 102 ASP CA C 57.770 0.300 1 1151 102 102 ASP CB C 39.663 0.300 1 1152 102 102 ASP N N 120.921 0.300 1 1153 103 103 SER H H 8.243 0.030 1 1154 103 103 SER HA H 4.276 0.030 1 1155 103 103 SER HB2 H 3.800 0.030 2 1156 103 103 SER HB3 H 4.026 0.030 2 1157 103 103 SER C C 178.544 0.300 1 1158 103 103 SER CA C 61.353 0.300 1 1159 103 103 SER CB C 62.208 0.300 1 1160 103 103 SER N N 117.351 0.300 1 1161 104 104 TRP H H 8.723 0.030 1 1162 104 104 TRP HA H 3.967 0.030 1 1163 104 104 TRP HB2 H 2.951 0.030 2 1164 104 104 TRP HB3 H 3.192 0.030 2 1165 104 104 TRP HD1 H 7.340 0.030 1 1166 104 104 TRP HE1 H 10.751 0.030 1 1167 104 104 TRP HE3 H 7.229 0.030 1 1168 104 104 TRP HH2 H 6.609 0.030 1 1169 104 104 TRP HZ2 H 6.747 0.030 1 1170 104 104 TRP HZ3 H 6.502 0.030 1 1171 104 104 TRP C C 178.985 0.300 1 1172 104 104 TRP CA C 62.872 0.300 1 1173 104 104 TRP CB C 28.867 0.300 1 1174 104 104 TRP CD1 C 127.675 0.300 1 1175 104 104 TRP CE3 C 119.346 0.300 1 1176 104 104 TRP CH2 C 123.986 0.300 1 1177 104 104 TRP CZ2 C 114.098 0.300 1 1178 104 104 TRP CZ3 C 120.816 0.300 1 1179 104 104 TRP N N 124.961 0.300 1 1180 104 104 TRP NE1 N 131.011 0.300 1 1181 105 105 LYS H H 8.992 0.030 1 1182 105 105 LYS HA H 3.796 0.030 1 1183 105 105 LYS HB2 H 1.772 0.030 2 1184 105 105 LYS HB3 H 1.865 0.030 2 1185 105 105 LYS HD2 H 1.575 0.030 1 1186 105 105 LYS HD3 H 1.575 0.030 1 1187 105 105 LYS HE2 H 2.678 0.030 2 1188 105 105 LYS HE3 H 2.607 0.030 2 1189 105 105 LYS HG2 H 0.871 0.030 2 1190 105 105 LYS HG3 H 1.375 0.030 2 1191 105 105 LYS C C 179.457 0.300 1 1192 105 105 LYS CA C 61.659 0.300 1 1193 105 105 LYS CB C 32.180 0.300 1 1194 105 105 LYS CD C 30.124 0.300 1 1195 105 105 LYS CE C 41.226 0.300 1 1196 105 105 LYS CG C 26.342 0.300 1 1197 105 105 LYS N N 119.434 0.300 1 1198 106 106 ALA H H 8.079 0.030 1 1199 106 106 ALA HA H 4.165 0.030 1 1200 106 106 ALA HB H 1.502 0.030 1 1201 106 106 ALA C C 180.812 0.300 1 1202 106 106 ALA CA C 54.990 0.300 1 1203 106 106 ALA CB C 17.924 0.300 1 1204 106 106 ALA N N 121.167 0.300 1 1205 107 107 SER H H 7.960 0.030 1 1206 107 107 SER HA H 4.011 0.030 1 1207 107 107 SER HB2 H 3.357 0.030 2 1208 107 107 SER HB3 H 3.792 0.030 2 1209 107 107 SER C C 175.007 0.300 1 1210 107 107 SER CA C 62.921 0.300 1 1211 107 107 SER CB C 62.234 0.300 1 1212 107 107 SER N N 117.840 0.300 1 1213 108 108 PHE H H 8.569 0.030 1 1214 108 108 PHE HA H 4.046 0.030 1 1215 108 108 PHE HB2 H 3.240 0.030 2 1216 108 108 PHE HB3 H 2.953 0.030 2 1217 108 108 PHE HD1 H 7.277 0.030 1 1218 108 108 PHE HD2 H 7.277 0.030 1 1219 108 108 PHE HE1 H 7.184 0.030 1 1220 108 108 PHE HE2 H 7.184 0.030 1 1221 108 108 PHE HZ H 7.056 0.030 1 1222 108 108 PHE C C 178.239 0.300 1 1223 108 108 PHE CA C 63.927 0.300 1 1224 108 108 PHE CB C 37.927 0.300 1 1225 108 108 PHE CD1 C 132.115 0.300 1 1226 108 108 PHE CD2 C 132.115 0.300 1 1227 108 108 PHE CE1 C 130.819 0.300 1 1228 108 108 PHE CE2 C 130.819 0.300 1 1229 108 108 PHE CZ C 128.745 0.300 1 1230 108 108 PHE N N 121.121 0.300 1 1231 109 109 LEU H H 7.933 0.030 1 1232 109 109 LEU HA H 4.346 0.030 1 1233 109 109 LEU HB2 H 1.806 0.030 1 1234 109 109 LEU HB3 H 1.806 0.030 1 1235 109 109 LEU HD1 H 0.940 0.030 1 1236 109 109 LEU HD2 H 0.940 0.030 1 1237 109 109 LEU HG H 1.687 0.030 1 1238 109 109 LEU C C 181.882 0.300 1 1239 109 109 LEU CA C 58.473 0.300 1 1240 109 109 LEU CB C 41.502 0.300 1 1241 109 109 LEU CD1 C 24.450 0.300 1 1242 109 109 LEU CD2 C 24.450 0.300 1 1243 109 109 LEU CG C 27.152 0.300 1 1244 109 109 LEU N N 120.574 0.300 1 1245 110 110 ARG H H 7.761 0.030 1 1246 110 110 ARG HA H 4.085 0.030 1 1247 110 110 ARG HB2 H 2.009 0.030 1 1248 110 110 ARG HB3 H 2.009 0.030 1 1249 110 110 ARG HD2 H 3.139 0.030 2 1250 110 110 ARG HD3 H 3.208 0.030 2 1251 110 110 ARG HG2 H 1.651 0.030 2 1252 110 110 ARG HG3 H 1.845 0.030 2 1253 110 110 ARG C C 177.499 0.300 1 1254 110 110 ARG CA C 58.860 0.300 1 1255 110 110 ARG CB C 29.713 0.300 1 1256 110 110 ARG CD C 43.528 0.300 1 1257 110 110 ARG CG C 27.493 0.300 1 1258 110 110 ARG N N 121.111 0.300 1 1259 111 111 ALA H H 7.737 0.030 1 1260 111 111 ALA HA H 4.218 0.030 1 1261 111 111 ALA HB H 1.482 0.030 1 1262 111 111 ALA C C 176.328 0.300 1 1263 111 111 ALA CA C 52.210 0.300 1 1264 111 111 ALA CB C 19.377 0.300 1 1265 111 111 ALA N N 120.966 0.300 1 1266 112 112 GLY H H 7.886 0.030 1 1267 112 112 GLY HA2 H 3.795 0.030 2 1268 112 112 GLY HA3 H 4.250 0.030 2 1269 112 112 GLY C C 173.707 0.300 1 1270 112 112 GLY CA C 45.455 0.300 1 1271 112 112 GLY N N 106.073 0.300 1 1272 113 113 VAL H H 8.062 0.030 1 1273 113 113 VAL HA H 3.998 0.030 1 1274 113 113 VAL HB H 2.096 0.030 1 1275 113 113 VAL HG1 H 0.786 0.030 1 1276 113 113 VAL HG2 H 1.016 0.030 1 1277 113 113 VAL C C 180.089 0.300 1 1278 113 113 VAL CA C 64.701 0.300 1 1279 113 113 VAL CB C 33.249 0.300 1 1280 113 113 VAL CG1 C 21.229 0.300 2 1281 113 113 VAL CG2 C 22.602 0.300 2 1282 113 113 VAL N N 127.407 0.300 1 stop_ save_