data_11237 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the first and second PHD domain from Myeloid/lymphoid or mixed-lineage leukemia protein 3 homolog ; _BMRB_accession_number 11237 _BMRB_flat_file_name bmr11237.str _Entry_type original _Submission_date 2010-07-23 _Accession_date 2010-07-23 _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 Qin X. . . 2 Hayashi F. . . 3 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" 613 "13C chemical shifts" 454 "15N chemical shifts" 113 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-08-03 original author . stop_ _Original_release_date 2011-08-03 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of the first and second PHD domain from Myeloid/lymphoid or mixed-lineage leukemia protein 3 homolog ; _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 Qin X. . . 2 Hayashi F. . . 3 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 'Myeloid/lymphoid or mixed-lineage leukemia protein 3 homolog' _Enzyme_commission_number E.C.2.1.1.43 loop_ _Mol_system_component_name _Mol_label 'PHD domain' $entity_1 'ZINC ION no.1' $ZN 'ZINC ION no.2' $ZN 'ZINC ION no.3' $ZN 'ZINC ION no.4' $ZN 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 'PHD domain' _Molecular_mass . _Mol_thiol_state 'free and other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 111 _Mol_residue_sequence ; GSSGSSGANCAVCDSPGDLL DQFFCTTCGQHYHGMCLDIA VTPLKRAGWQCPECKVCQNC KQSGEDSKMLVCDTCDKGYH TFCLQPVMKSVPTNGWKCKN CRICISGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 ALA 9 ASN 10 CYS 11 ALA 12 VAL 13 CYS 14 ASP 15 SER 16 PRO 17 GLY 18 ASP 19 LEU 20 LEU 21 ASP 22 GLN 23 PHE 24 PHE 25 CYS 26 THR 27 THR 28 CYS 29 GLY 30 GLN 31 HIS 32 TYR 33 HIS 34 GLY 35 MET 36 CYS 37 LEU 38 ASP 39 ILE 40 ALA 41 VAL 42 THR 43 PRO 44 LEU 45 LYS 46 ARG 47 ALA 48 GLY 49 TRP 50 GLN 51 CYS 52 PRO 53 GLU 54 CYS 55 LYS 56 VAL 57 CYS 58 GLN 59 ASN 60 CYS 61 LYS 62 GLN 63 SER 64 GLY 65 GLU 66 ASP 67 SER 68 LYS 69 MET 70 LEU 71 VAL 72 CYS 73 ASP 74 THR 75 CYS 76 ASP 77 LYS 78 GLY 79 TYR 80 HIS 81 THR 82 PHE 83 CYS 84 LEU 85 GLN 86 PRO 87 VAL 88 MET 89 LYS 90 SER 91 VAL 92 PRO 93 THR 94 ASN 95 GLY 96 TRP 97 LYS 98 CYS 99 LYS 100 ASN 101 CYS 102 ARG 103 ILE 104 CYS 105 ILE 106 SER 107 GLY 108 PRO 109 SER 110 SER 111 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-08-26 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 2YSM "Solution Structure Of The First And Second Phd Domain From MyeloidLYMPHOID OR MIXED-Lineage Leukemia Protein 3 Homolog" 100.00 111 100.00 100.00 4.40e-74 DBJ BAC35712 "unnamed protein product [Mus musculus]" 89.19 814 98.99 98.99 6.81e-63 REF XP_007948343 "PREDICTED: histone-lysine N-methyltransferase 2C-like [Orycteropus afer afer]" 89.19 583 97.98 98.99 6.80e-63 REF XP_010639685 "PREDICTED: histone-lysine N-methyltransferase 2C-like isoform X1 [Fukomys damarensis]" 89.19 777 98.99 98.99 3.97e-63 REF XP_010639691 "PREDICTED: histone-lysine N-methyltransferase 2C-like isoform X2 [Fukomys damarensis]" 89.19 777 98.99 98.99 3.97e-63 REF XP_010639698 "PREDICTED: histone-lysine N-methyltransferase 2C-like isoform X3 [Fukomys damarensis]" 89.19 776 98.99 98.99 3.94e-63 stop_ save_ ############# # Ligands # ############# save_ZN _Saveframe_category ligand _Mol_type non-polymer _Name_common "ZN (ZINC ION)" _BMRB_code . _PDB_code ZN _Molecular_mass 65.409 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons ZN ZN ZN . 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . 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 . P070115-52 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 0.94mM 13C, 15N-labeled {protein;} 20mM {d-Tris-HCl(pH7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 0.05mM ZnCl2+1mM {IDA;} 90% H2O, 10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.94 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM 'natural abundance' NaCl 100 mM 'natural abundance' d-DTT 1 mM 'natural abundance' NaN3 0.02 % 'natural abundance' ZnCl2 0.05 mM 'natural abundance' IDA 1 mM 'natural abundance' H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Saveframe_category software _Name VNMR _Version 6.1C loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 20030801 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRVIEW _Saveframe_category software _Name NMRView _Version 5.0.4 loop_ _Vendor _Address _Electronic_address 'Johnson, B.A.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_Kujira _Saveframe_category software _Name Kujira _Version 0.9820 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.0.17 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_15N-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ save_3D_13C-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 120 0.1 mM pH 7.0 0.05 pH pressure 1 0.001 atm temperature 293 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 $VNMR $NMRPipe $NMRVIEW $Kujira $CYANA stop_ loop_ _Experiment_label '3D 15N-separated NOESY' '3D 13C-separated NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name 'PHD 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 3 3 SER HA H 4.465 0.030 1 2 3 3 SER HB2 H 3.853 0.030 1 3 3 3 SER HB3 H 3.853 0.030 1 4 3 3 SER C C 175.043 0.300 1 5 3 3 SER CA C 58.551 0.300 1 6 3 3 SER CB C 63.777 0.300 1 7 4 4 GLY H H 8.479 0.030 1 8 4 4 GLY HA2 H 4.003 0.030 1 9 4 4 GLY HA3 H 4.003 0.030 1 10 4 4 GLY C C 174.317 0.300 1 11 4 4 GLY CA C 45.357 0.300 1 12 4 4 GLY N N 110.982 0.300 1 13 5 5 SER H H 8.327 0.030 1 14 5 5 SER HA H 4.511 0.030 1 15 5 5 SER HB2 H 3.865 0.030 1 16 5 5 SER HB3 H 3.865 0.030 1 17 5 5 SER C C 174.876 0.300 1 18 5 5 SER CA C 58.270 0.300 1 19 5 5 SER CB C 63.976 0.300 1 20 5 5 SER N N 115.894 0.300 1 21 6 6 SER H H 8.467 0.030 1 22 6 6 SER HA H 4.469 0.030 1 23 6 6 SER HB2 H 3.880 0.030 1 24 6 6 SER HB3 H 3.880 0.030 1 25 6 6 SER C C 174.917 0.300 1 26 6 6 SER CA C 58.572 0.300 1 27 6 6 SER CB C 63.777 0.300 1 28 6 6 SER N N 117.933 0.300 1 29 7 7 GLY H H 8.337 0.030 1 30 7 7 GLY HA2 H 3.914 0.030 1 31 7 7 GLY HA3 H 3.914 0.030 1 32 7 7 GLY C C 173.309 0.300 1 33 7 7 GLY CA C 45.326 0.300 1 34 7 7 GLY N N 110.855 0.300 1 35 8 8 ALA H H 7.978 0.030 1 36 8 8 ALA HA H 4.075 0.030 1 37 8 8 ALA HB H 0.950 0.030 1 38 8 8 ALA C C 176.261 0.300 1 39 8 8 ALA CA C 51.770 0.300 1 40 8 8 ALA CB C 19.094 0.300 1 41 8 8 ALA N N 123.402 0.300 1 42 9 9 ASN H H 8.020 0.030 1 43 9 9 ASN HA H 4.253 0.030 1 44 9 9 ASN HB2 H 2.219 0.030 2 45 9 9 ASN HB3 H 2.551 0.030 2 46 9 9 ASN HD21 H 7.189 0.030 2 47 9 9 ASN HD22 H 6.574 0.030 2 48 9 9 ASN C C 174.449 0.300 1 49 9 9 ASN CA C 51.955 0.300 1 50 9 9 ASN CB C 39.153 0.300 1 51 9 9 ASN N N 116.712 0.300 1 52 9 9 ASN ND2 N 110.808 0.300 1 53 10 10 CYS H H 7.653 0.030 1 54 10 10 CYS HA H 4.026 0.030 1 55 10 10 CYS HB2 H 3.412 0.030 2 56 10 10 CYS HB3 H 1.934 0.030 2 57 10 10 CYS C C 177.216 0.300 1 58 10 10 CYS CA C 57.915 0.300 1 59 10 10 CYS CB C 31.896 0.300 1 60 10 10 CYS N N 123.067 0.300 1 61 11 11 ALA H H 8.334 0.030 1 62 11 11 ALA HA H 4.083 0.030 1 63 11 11 ALA HB H 1.059 0.030 1 64 11 11 ALA C C 177.997 0.300 1 65 11 11 ALA CA C 54.006 0.300 1 66 11 11 ALA CB C 18.697 0.300 1 67 11 11 ALA N N 130.880 0.300 1 68 12 12 VAL H H 9.232 0.030 1 69 12 12 VAL HA H 4.087 0.030 1 70 12 12 VAL HB H 2.216 0.030 1 71 12 12 VAL HG1 H 1.237 0.030 1 72 12 12 VAL HG2 H 1.116 0.030 1 73 12 12 VAL C C 176.911 0.300 1 74 12 12 VAL CA C 64.984 0.300 1 75 12 12 VAL CB C 33.143 0.300 1 76 12 12 VAL CG1 C 21.667 0.300 2 77 12 12 VAL CG2 C 20.729 0.300 2 78 12 12 VAL N N 120.510 0.300 1 79 13 13 CYS H H 7.925 0.030 1 80 13 13 CYS HA H 4.881 0.030 1 81 13 13 CYS HB2 H 3.296 0.030 2 82 13 13 CYS HB3 H 3.035 0.030 2 83 13 13 CYS C C 175.965 0.300 1 84 13 13 CYS CA C 58.551 0.300 1 85 13 13 CYS CB C 31.030 0.300 1 86 13 13 CYS N N 116.822 0.300 1 87 14 14 ASP H H 8.222 0.030 1 88 14 14 ASP HA H 4.524 0.030 1 89 14 14 ASP HB2 H 2.461 0.030 2 90 14 14 ASP HB3 H 3.062 0.030 2 91 14 14 ASP C C 174.158 0.300 1 92 14 14 ASP CA C 55.537 0.300 1 93 14 14 ASP CB C 40.417 0.300 1 94 14 14 ASP N N 122.363 0.300 1 95 15 15 SER H H 7.919 0.030 1 96 15 15 SER HA H 5.115 0.030 1 97 15 15 SER HB2 H 3.999 0.030 1 98 15 15 SER HB3 H 3.999 0.030 1 99 15 15 SER C C 173.721 0.300 1 100 15 15 SER CA C 55.726 0.300 1 101 15 15 SER CB C 65.366 0.300 1 102 15 15 SER N N 112.839 0.300 1 103 16 16 PRO HA H 4.626 0.030 1 104 16 16 PRO HB2 H 2.246 0.030 2 105 16 16 PRO HB3 H 1.980 0.030 2 106 16 16 PRO HD2 H 3.842 0.030 1 107 16 16 PRO HD3 H 3.842 0.030 1 108 16 16 PRO HG2 H 2.038 0.030 2 109 16 16 PRO HG3 H 2.002 0.030 2 110 16 16 PRO C C 178.432 0.300 1 111 16 16 PRO CA C 63.800 0.300 1 112 16 16 PRO CB C 31.999 0.300 1 113 16 16 PRO CD C 50.851 0.300 1 114 16 16 PRO CG C 27.048 0.300 1 115 17 17 GLY H H 8.053 0.030 1 116 17 17 GLY HA2 H 3.605 0.030 2 117 17 17 GLY HA3 H 3.853 0.030 2 118 17 17 GLY C C 172.426 0.300 1 119 17 17 GLY CA C 45.875 0.300 1 120 17 17 GLY N N 106.567 0.300 1 121 18 18 ASP H H 8.640 0.030 1 122 18 18 ASP HA H 4.553 0.030 1 123 18 18 ASP HB2 H 2.564 0.030 2 124 18 18 ASP HB3 H 2.848 0.030 2 125 18 18 ASP C C 176.824 0.300 1 126 18 18 ASP CA C 53.763 0.300 1 127 18 18 ASP CB C 40.535 0.300 1 128 18 18 ASP N N 122.553 0.300 1 129 19 19 LEU H H 8.337 0.030 1 130 19 19 LEU HA H 4.043 0.030 1 131 19 19 LEU HB2 H 1.515 0.030 2 132 19 19 LEU HB3 H 1.612 0.030 2 133 19 19 LEU HD1 H 0.779 0.030 1 134 19 19 LEU HD2 H 0.698 0.030 1 135 19 19 LEU HG H 1.616 0.030 1 136 19 19 LEU C C 179.414 0.300 1 137 19 19 LEU CA C 57.061 0.300 1 138 19 19 LEU CB C 42.241 0.300 1 139 19 19 LEU CD1 C 24.822 0.300 2 140 19 19 LEU CD2 C 23.461 0.300 2 141 19 19 LEU CG C 26.969 0.300 1 142 19 19 LEU N N 123.687 0.300 1 143 20 20 LEU H H 8.180 0.030 1 144 20 20 LEU HA H 4.164 0.030 1 145 20 20 LEU HB2 H 1.839 0.030 2 146 20 20 LEU HB3 H 1.548 0.030 2 147 20 20 LEU HD1 H 0.904 0.030 1 148 20 20 LEU HD2 H 0.834 0.030 1 149 20 20 LEU HG H 1.647 0.030 1 150 20 20 LEU C C 177.689 0.300 1 151 20 20 LEU CA C 56.410 0.300 1 152 20 20 LEU CB C 41.044 0.300 1 153 20 20 LEU CD1 C 24.852 0.300 2 154 20 20 LEU CD2 C 23.000 0.300 2 155 20 20 LEU CG C 27.148 0.300 1 156 20 20 LEU N N 118.444 0.300 1 157 21 21 ASP H H 7.829 0.030 1 158 21 21 ASP HA H 4.819 0.030 1 159 21 21 ASP HB2 H 2.601 0.030 2 160 21 21 ASP HB3 H 2.716 0.030 2 161 21 21 ASP C C 175.696 0.300 1 162 21 21 ASP CA C 53.412 0.300 1 163 21 21 ASP CB C 42.447 0.300 1 164 21 21 ASP N N 118.197 0.300 1 165 22 22 GLN H H 7.360 0.030 1 166 22 22 GLN HA H 4.622 0.030 1 167 22 22 GLN HB2 H 2.007 0.030 2 168 22 22 GLN HB3 H 2.101 0.030 2 169 22 22 GLN HE21 H 6.780 0.030 1 170 22 22 GLN HE22 H 6.780 0.030 1 171 22 22 GLN HG2 H 2.610 0.030 2 172 22 22 GLN HG3 H 1.965 0.030 2 173 22 22 GLN C C 175.428 0.300 1 174 22 22 GLN CA C 55.711 0.300 1 175 22 22 GLN CB C 30.158 0.300 1 176 22 22 GLN CG C 34.756 0.300 1 177 22 22 GLN N N 117.085 0.300 1 178 22 22 GLN NE2 N 110.281 0.300 1 179 23 23 PHE H H 8.890 0.030 1 180 23 23 PHE HA H 4.284 0.030 1 181 23 23 PHE HB2 H 2.055 0.030 2 182 23 23 PHE HB3 H 1.497 0.030 2 183 23 23 PHE HD1 H 6.231 0.030 1 184 23 23 PHE HD2 H 6.231 0.030 1 185 23 23 PHE HE1 H 6.623 0.030 1 186 23 23 PHE HE2 H 6.623 0.030 1 187 23 23 PHE HZ H 6.779 0.030 1 188 23 23 PHE C C 174.573 0.300 1 189 23 23 PHE CA C 57.645 0.300 1 190 23 23 PHE CB C 40.148 0.300 1 191 23 23 PHE CD1 C 130.525 0.300 1 192 23 23 PHE CD2 C 130.525 0.300 1 193 23 23 PHE CE1 C 129.885 0.300 1 194 23 23 PHE CE2 C 129.885 0.300 1 195 23 23 PHE CZ C 127.895 0.300 1 196 24 24 PHE H H 8.221 0.030 1 197 24 24 PHE HA H 5.078 0.030 1 198 24 24 PHE HB2 H 2.810 0.030 2 199 24 24 PHE HB3 H 2.718 0.030 2 200 24 24 PHE HD1 H 6.596 0.030 1 201 24 24 PHE HD2 H 6.596 0.030 1 202 24 24 PHE HE1 H 7.197 0.030 1 203 24 24 PHE HE2 H 7.197 0.030 1 204 24 24 PHE HZ H 7.221 0.030 1 205 24 24 PHE C C 174.206 0.300 1 206 24 24 PHE CA C 55.301 0.300 1 207 24 24 PHE CB C 41.322 0.300 1 208 24 24 PHE CD1 C 131.292 0.300 1 209 24 24 PHE CD2 C 131.292 0.300 1 210 24 24 PHE CE1 C 131.146 0.300 1 211 24 24 PHE CE2 C 131.146 0.300 1 212 24 24 PHE CZ C 129.552 0.300 1 213 24 24 PHE N N 120.994 0.300 1 214 25 25 CYS H H 8.927 0.030 1 215 25 25 CYS HA H 4.728 0.030 1 216 25 25 CYS HB2 H 3.513 0.030 2 217 25 25 CYS HB3 H 2.862 0.030 2 218 25 25 CYS C C 176.538 0.300 1 219 25 25 CYS CA C 60.174 0.300 1 220 25 25 CYS CB C 30.851 0.300 1 221 25 25 CYS N N 128.542 0.300 1 222 26 26 THR H H 8.924 0.030 1 223 26 26 THR HA H 4.001 0.030 1 224 26 26 THR HB H 4.391 0.030 1 225 26 26 THR HG2 H 1.546 0.030 1 226 26 26 THR C C 174.588 0.300 1 227 26 26 THR CA C 64.422 0.300 1 228 26 26 THR CB C 69.566 0.300 1 229 26 26 THR CG2 C 22.138 0.300 1 230 26 26 THR N N 122.870 0.300 1 231 27 27 THR H H 8.963 0.030 1 232 27 27 THR HA H 4.365 0.030 1 233 27 27 THR HB H 4.433 0.030 1 234 27 27 THR HG2 H 1.263 0.030 1 235 27 27 THR C C 175.142 0.300 1 236 27 27 THR CA C 66.005 0.300 1 237 27 27 THR CB C 69.112 0.300 1 238 27 27 THR CG2 C 22.696 0.300 1 239 27 27 THR N N 121.309 0.300 1 240 28 28 CYS H H 8.526 0.030 1 241 28 28 CYS HA H 4.868 0.030 1 242 28 28 CYS HB2 H 3.197 0.030 2 243 28 28 CYS HB3 H 2.667 0.030 2 244 28 28 CYS C C 177.162 0.300 1 245 28 28 CYS CA C 59.273 0.300 1 246 28 28 CYS CB C 32.398 0.300 1 247 28 28 CYS N N 120.551 0.300 1 248 29 29 GLY H H 7.839 0.030 1 249 29 29 GLY HA2 H 3.776 0.030 2 250 29 29 GLY HA3 H 4.090 0.030 2 251 29 29 GLY C C 173.827 0.300 1 252 29 29 GLY CA C 46.425 0.300 1 253 29 29 GLY N N 112.977 0.300 1 254 30 30 GLN H H 8.295 0.030 1 255 30 30 GLN HA H 4.459 0.030 1 256 30 30 GLN HB2 H 2.276 0.030 2 257 30 30 GLN HB3 H 1.939 0.030 2 258 30 30 GLN HE21 H 6.948 0.030 2 259 30 30 GLN HE22 H 7.810 0.030 2 260 30 30 GLN HG2 H 2.614 0.030 2 261 30 30 GLN HG3 H 2.282 0.030 2 262 30 30 GLN C C 174.743 0.300 1 263 30 30 GLN CA C 56.776 0.300 1 264 30 30 GLN CB C 31.167 0.300 1 265 30 30 GLN CG C 35.651 0.300 1 266 30 30 GLN N N 119.758 0.300 1 267 30 30 GLN NE2 N 114.605 0.300 1 268 31 31 HIS H H 8.747 0.030 1 269 31 31 HIS HA H 5.561 0.030 1 270 31 31 HIS HB2 H 2.735 0.030 2 271 31 31 HIS HB3 H 2.642 0.030 2 272 31 31 HIS HD2 H 7.097 0.030 1 273 31 31 HIS HE1 H 7.929 0.030 1 274 31 31 HIS C C 174.295 0.300 1 275 31 31 HIS CA C 55.269 0.300 1 276 31 31 HIS CB C 31.197 0.300 1 277 31 31 HIS CD2 C 122.025 0.300 1 278 31 31 HIS CE1 C 137.057 0.300 1 279 31 31 HIS N N 119.700 0.300 1 280 32 32 TYR H H 8.876 0.030 1 281 32 32 TYR HA H 5.470 0.030 1 282 32 32 TYR HB2 H 2.818 0.030 2 283 32 32 TYR HB3 H 2.602 0.030 2 284 32 32 TYR HD1 H 7.144 0.030 1 285 32 32 TYR HD2 H 7.144 0.030 1 286 32 32 TYR HE1 H 6.775 0.030 1 287 32 32 TYR HE2 H 6.775 0.030 1 288 32 32 TYR C C 176.273 0.300 1 289 32 32 TYR CA C 56.631 0.300 1 290 32 32 TYR CB C 44.178 0.300 1 291 32 32 TYR CD1 C 133.260 0.300 1 292 32 32 TYR CD2 C 133.260 0.300 1 293 32 32 TYR CE1 C 119.171 0.300 1 294 32 32 TYR CE2 C 119.171 0.300 1 295 32 32 TYR N N 117.162 0.300 1 296 33 33 HIS H H 9.337 0.030 1 297 33 33 HIS HA H 5.071 0.030 1 298 33 33 HIS HB2 H 3.757 0.030 2 299 33 33 HIS HB3 H 3.817 0.030 2 300 33 33 HIS HD2 H 7.280 0.030 1 301 33 33 HIS HE1 H 7.545 0.030 1 302 33 33 HIS C C 177.808 0.300 1 303 33 33 HIS CA C 58.130 0.300 1 304 33 33 HIS CB C 30.648 0.300 1 305 33 33 HIS CD2 C 117.989 0.300 1 306 33 33 HIS CE1 C 138.840 0.300 1 307 33 33 HIS N N 121.223 0.300 1 308 34 34 GLY H H 9.270 0.030 1 309 34 34 GLY HA2 H 4.078 0.030 2 310 34 34 GLY HA3 H 3.746 0.030 2 311 34 34 GLY C C 178.121 0.300 1 312 34 34 GLY CA C 48.888 0.300 1 313 34 34 GLY N N 113.997 0.300 1 314 35 35 MET H H 10.106 0.030 1 315 35 35 MET HA H 4.414 0.030 1 316 35 35 MET HB2 H 2.124 0.030 2 317 35 35 MET HB3 H 2.183 0.030 2 318 35 35 MET HE H 2.047 0.030 1 319 35 35 MET HG2 H 2.780 0.030 2 320 35 35 MET HG3 H 2.676 0.030 2 321 35 35 MET C C 179.323 0.300 1 322 35 35 MET CA C 58.270 0.300 1 323 35 35 MET CB C 31.844 0.300 1 324 35 35 MET CE C 16.898 0.300 1 325 35 35 MET CG C 32.429 0.300 1 326 35 35 MET N N 120.187 0.300 1 327 36 36 CYS H H 7.145 0.030 1 328 36 36 CYS HA H 4.252 0.030 1 329 36 36 CYS HB2 H 3.218 0.030 2 330 36 36 CYS HB3 H 3.140 0.030 2 331 36 36 CYS C C 175.685 0.300 1 332 36 36 CYS CA C 63.240 0.300 1 333 36 36 CYS CB C 28.955 0.300 1 334 36 36 CYS N N 117.712 0.300 1 335 37 37 LEU H H 7.404 0.030 1 336 37 37 LEU HA H 4.503 0.030 1 337 37 37 LEU HB2 H 1.736 0.030 2 338 37 37 LEU HB3 H 1.697 0.030 2 339 37 37 LEU HD1 H 0.659 0.030 1 340 37 37 LEU HD2 H 0.832 0.030 1 341 37 37 LEU HG H 1.698 0.030 1 342 37 37 LEU C C 175.729 0.300 1 343 37 37 LEU CA C 54.182 0.300 1 344 37 37 LEU CB C 43.973 0.300 1 345 37 37 LEU CD1 C 26.325 0.300 2 346 37 37 LEU CD2 C 22.366 0.300 2 347 37 37 LEU CG C 26.476 0.300 1 348 37 37 LEU N N 118.394 0.300 1 349 38 38 ASP H H 8.004 0.030 1 350 38 38 ASP HA H 4.346 0.030 1 351 38 38 ASP HB2 H 2.559 0.030 2 352 38 38 ASP HB3 H 3.103 0.030 2 353 38 38 ASP C C 174.852 0.300 1 354 38 38 ASP CA C 55.394 0.300 1 355 38 38 ASP CB C 40.060 0.300 1 356 38 38 ASP N N 118.645 0.300 1 357 39 39 ILE H H 7.976 0.030 1 358 39 39 ILE HA H 4.355 0.030 1 359 39 39 ILE HB H 1.608 0.030 1 360 39 39 ILE HD1 H 0.694 0.030 1 361 39 39 ILE HG12 H 1.366 0.030 2 362 39 39 ILE HG13 H 0.959 0.030 2 363 39 39 ILE HG2 H 0.855 0.030 1 364 39 39 ILE C C 175.004 0.300 1 365 39 39 ILE CA C 60.398 0.300 1 366 39 39 ILE CB C 41.896 0.300 1 367 39 39 ILE CD1 C 14.157 0.300 1 368 39 39 ILE CG1 C 25.964 0.300 1 369 39 39 ILE CG2 C 17.947 0.300 1 370 39 39 ILE N N 115.963 0.300 1 371 40 40 ALA H H 8.502 0.030 1 372 40 40 ALA HA H 4.351 0.030 1 373 40 40 ALA HB H 1.305 0.030 1 374 40 40 ALA C C 177.657 0.300 1 375 40 40 ALA CA C 51.769 0.300 1 376 40 40 ALA CB C 18.778 0.300 1 377 40 40 ALA N N 126.919 0.300 1 378 41 41 VAL H H 8.427 0.030 1 379 41 41 VAL HA H 3.770 0.030 1 380 41 41 VAL HB H 1.761 0.030 1 381 41 41 VAL HG1 H 0.490 0.030 1 382 41 41 VAL HG2 H 0.489 0.030 1 383 41 41 VAL C C 175.809 0.300 1 384 41 41 VAL CA C 62.880 0.300 1 385 41 41 VAL CB C 32.329 0.300 1 386 41 41 VAL CG1 C 20.954 0.300 2 387 41 41 VAL CG2 C 20.910 0.300 2 388 41 41 VAL N N 122.776 0.300 1 389 42 42 THR H H 7.201 0.030 1 390 42 42 THR HA H 4.797 0.030 1 391 42 42 THR HB H 4.541 0.030 1 392 42 42 THR HG2 H 1.226 0.030 1 393 42 42 THR C C 173.151 0.300 1 394 42 42 THR CA C 58.869 0.300 1 395 42 42 THR CB C 69.609 0.300 1 396 42 42 THR CG2 C 21.940 0.300 1 397 42 42 THR N N 117.549 0.300 1 398 43 43 PRO HA H 4.128 0.030 1 399 43 43 PRO HB2 H 2.363 0.030 2 400 43 43 PRO HB3 H 1.923 0.030 2 401 43 43 PRO HD2 H 3.866 0.030 1 402 43 43 PRO HD3 H 3.866 0.030 1 403 43 43 PRO HG2 H 1.938 0.030 2 404 43 43 PRO HG3 H 2.096 0.030 2 405 43 43 PRO C C 178.694 0.300 1 406 43 43 PRO CA C 65.425 0.300 1 407 43 43 PRO CB C 32.021 0.300 1 408 43 43 PRO CD C 50.686 0.300 1 409 43 43 PRO CG C 27.594 0.300 1 410 44 44 LEU H H 7.940 0.030 1 411 44 44 LEU HA H 4.209 0.030 1 412 44 44 LEU HB2 H 1.568 0.030 2 413 44 44 LEU HB3 H 1.655 0.030 2 414 44 44 LEU HD1 H 0.869 0.030 1 415 44 44 LEU HD2 H 0.935 0.030 1 416 44 44 LEU HG H 1.549 0.030 1 417 44 44 LEU C C 178.415 0.300 1 418 44 44 LEU CA C 57.160 0.300 1 419 44 44 LEU CB C 42.373 0.300 1 420 44 44 LEU CD1 C 25.096 0.300 2 421 44 44 LEU CD2 C 23.917 0.300 2 422 44 44 LEU CG C 27.273 0.300 1 423 44 44 LEU N N 117.747 0.300 1 424 45 45 LYS H H 7.531 0.030 1 425 45 45 LYS HA H 4.351 0.030 1 426 45 45 LYS HB2 H 1.922 0.030 2 427 45 45 LYS HB3 H 1.810 0.030 2 428 45 45 LYS HD2 H 1.621 0.030 2 429 45 45 LYS HD3 H 1.920 0.030 2 430 45 45 LYS HE2 H 2.923 0.030 2 431 45 45 LYS HE3 H 3.028 0.030 2 432 45 45 LYS HG2 H 1.140 0.030 2 433 45 45 LYS HG3 H 1.607 0.030 2 434 45 45 LYS C C 177.732 0.300 1 435 45 45 LYS CA C 57.561 0.300 1 436 45 45 LYS CB C 34.695 0.300 1 437 45 45 LYS CD C 30.151 0.300 1 438 45 45 LYS CE C 42.476 0.300 1 439 45 45 LYS CG C 26.253 0.300 1 440 45 45 LYS N N 116.050 0.300 1 441 46 46 ARG H H 7.757 0.030 1 442 46 46 ARG HA H 3.977 0.030 1 443 46 46 ARG HB2 H 1.864 0.030 2 444 46 46 ARG HB3 H 1.766 0.030 2 445 46 46 ARG HD2 H 2.811 0.030 2 446 46 46 ARG HD3 H 2.907 0.030 2 447 46 46 ARG HG2 H 1.589 0.030 2 448 46 46 ARG HG3 H 1.251 0.030 2 449 46 46 ARG C C 177.592 0.300 1 450 46 46 ARG CA C 59.013 0.300 1 451 46 46 ARG CB C 31.315 0.300 1 452 46 46 ARG CD C 43.521 0.300 1 453 46 46 ARG CG C 28.350 0.300 1 454 46 46 ARG N N 115.929 0.300 1 455 47 47 ALA H H 7.439 0.030 1 456 47 47 ALA HA H 4.361 0.030 1 457 47 47 ALA HB H 1.457 0.030 1 458 47 47 ALA C C 177.672 0.300 1 459 47 47 ALA CA C 53.226 0.300 1 460 47 47 ALA CB C 17.785 0.300 1 461 47 47 ALA N N 122.508 0.300 1 462 48 48 GLY H H 9.043 0.030 1 463 48 48 GLY HA2 H 3.945 0.030 1 464 48 48 GLY HA3 H 3.945 0.030 1 465 48 48 GLY C C 174.477 0.300 1 466 48 48 GLY CA C 46.243 0.300 1 467 48 48 GLY N N 113.030 0.300 1 468 49 49 TRP H H 7.737 0.030 1 469 49 49 TRP HA H 4.161 0.030 1 470 49 49 TRP HB2 H 3.774 0.030 2 471 49 49 TRP HB3 H 3.199 0.030 2 472 49 49 TRP HD1 H 7.250 0.030 1 473 49 49 TRP HE1 H 9.878 0.030 1 474 49 49 TRP HE3 H 7.217 0.030 1 475 49 49 TRP HH2 H 6.149 0.030 1 476 49 49 TRP HZ2 H 6.740 0.030 1 477 49 49 TRP HZ3 H 6.675 0.030 1 478 49 49 TRP C C 175.580 0.300 1 479 49 49 TRP CA C 61.179 0.300 1 480 49 49 TRP CB C 28.535 0.300 1 481 49 49 TRP CD1 C 127.445 0.300 1 482 49 49 TRP CE3 C 120.044 0.300 1 483 49 49 TRP CH2 C 122.207 0.300 1 484 49 49 TRP CZ2 C 114.553 0.300 1 485 49 49 TRP CZ3 C 120.169 0.300 1 486 49 49 TRP N N 121.305 0.300 1 487 49 49 TRP NE1 N 131.907 0.300 1 488 50 50 GLN H H 7.367 0.030 1 489 50 50 GLN HA H 5.156 0.030 1 490 50 50 GLN HB2 H 1.455 0.030 2 491 50 50 GLN HB3 H 1.287 0.030 2 492 50 50 GLN HE21 H 7.686 0.030 2 493 50 50 GLN HE22 H 6.070 0.030 2 494 50 50 GLN HG2 H 2.169 0.030 2 495 50 50 GLN HG3 H 2.128 0.030 2 496 50 50 GLN C C 172.721 0.300 1 497 50 50 GLN CA C 52.726 0.300 1 498 50 50 GLN CB C 33.565 0.300 1 499 50 50 GLN CG C 34.132 0.300 1 500 50 50 GLN N N 124.798 0.300 1 501 50 50 GLN NE2 N 113.536 0.300 1 502 51 51 CYS H H 8.846 0.030 1 503 51 51 CYS HA H 3.323 0.030 1 504 51 51 CYS HB2 H 2.784 0.030 2 505 51 51 CYS HB3 H 2.345 0.030 2 506 51 51 CYS C C 172.858 0.300 1 507 51 51 CYS CA C 56.645 0.300 1 508 51 51 CYS CB C 29.830 0.300 1 509 51 51 CYS N N 125.676 0.300 1 510 52 52 PRO HA H 3.885 0.030 1 511 52 52 PRO HB2 H 1.801 0.030 2 512 52 52 PRO HB3 H 2.304 0.030 2 513 52 52 PRO HD2 H 3.231 0.030 2 514 52 52 PRO HD3 H 3.193 0.030 2 515 52 52 PRO HG2 H 2.001 0.030 2 516 52 52 PRO HG3 H 1.893 0.030 2 517 52 52 PRO C C 178.229 0.300 1 518 52 52 PRO CA C 65.660 0.300 1 519 52 52 PRO CB C 32.023 0.300 1 520 52 52 PRO CD C 49.647 0.300 1 521 52 52 PRO CG C 27.829 0.300 1 522 53 53 GLU H H 8.000 0.030 1 523 53 53 GLU HA H 4.093 0.030 1 524 53 53 GLU HB2 H 2.038 0.030 1 525 53 53 GLU HB3 H 2.038 0.030 1 526 53 53 GLU HG2 H 2.333 0.030 2 527 53 53 GLU HG3 H 2.237 0.030 2 528 53 53 GLU C C 177.868 0.300 1 529 53 53 GLU CA C 58.175 0.300 1 530 53 53 GLU CB C 30.285 0.300 1 531 53 53 GLU CG C 36.807 0.300 1 532 53 53 GLU N N 115.624 0.300 1 533 54 54 CYS H H 7.680 0.030 1 534 54 54 CYS HA H 3.924 0.030 1 535 54 54 CYS HB2 H 2.744 0.030 2 536 54 54 CYS HB3 H 2.515 0.030 2 537 54 54 CYS C C 175.520 0.300 1 538 54 54 CYS CA C 61.293 0.300 1 539 54 54 CYS CB C 31.749 0.300 1 540 54 54 CYS N N 120.863 0.300 1 541 55 55 LYS H H 7.378 0.030 1 542 55 55 LYS HA H 3.451 0.030 1 543 55 55 LYS HB2 H 1.386 0.030 2 544 55 55 LYS HB3 H 1.345 0.030 2 545 55 55 LYS HD2 H 1.430 0.030 2 546 55 55 LYS HD3 H 1.382 0.030 2 547 55 55 LYS HE2 H 2.547 0.030 2 548 55 55 LYS HE3 H 2.779 0.030 2 549 55 55 LYS HG2 H 1.137 0.030 2 550 55 55 LYS HG3 H 1.046 0.030 2 551 55 55 LYS C C 175.788 0.300 1 552 55 55 LYS CA C 57.908 0.300 1 553 55 55 LYS CB C 32.065 0.300 1 554 55 55 LYS CD C 29.072 0.300 1 555 55 55 LYS CE C 41.851 0.300 1 556 55 55 LYS CG C 24.398 0.300 1 557 55 55 LYS N N 118.897 0.300 1 558 56 56 VAL H H 7.137 0.030 1 559 56 56 VAL HA H 4.115 0.030 1 560 56 56 VAL HB H 1.518 0.030 1 561 56 56 VAL HG1 H 0.615 0.030 1 562 56 56 VAL HG2 H 0.697 0.030 1 563 56 56 VAL C C 174.322 0.300 1 564 56 56 VAL CA C 58.440 0.300 1 565 56 56 VAL CB C 34.994 0.300 1 566 56 56 VAL CG1 C 18.564 0.300 2 567 56 56 VAL CG2 C 21.311 0.300 2 568 56 56 VAL N N 116.806 0.300 1 569 57 57 CYS H H 7.801 0.030 1 570 57 57 CYS HA H 3.933 0.030 1 571 57 57 CYS HB2 H 3.230 0.030 2 572 57 57 CYS HB3 H 1.644 0.030 2 573 57 57 CYS C C 178.122 0.300 1 574 57 57 CYS CA C 57.283 0.300 1 575 57 57 CYS CB C 31.616 0.300 1 576 57 57 CYS N N 124.716 0.300 1 577 58 58 GLN H H 8.527 0.030 1 578 58 58 GLN HA H 3.709 0.030 1 579 58 58 GLN HB2 H 2.028 0.030 2 580 58 58 GLN HB3 H 1.331 0.030 2 581 58 58 GLN HE21 H 7.653 0.030 2 582 58 58 GLN HE22 H 7.244 0.030 2 583 58 58 GLN HG2 H 2.499 0.030 2 584 58 58 GLN HG3 H 2.064 0.030 2 585 58 58 GLN C C 176.094 0.300 1 586 58 58 GLN CA C 56.807 0.300 1 587 58 58 GLN CB C 29.023 0.300 1 588 58 58 GLN CG C 34.604 0.300 1 589 58 58 GLN N N 125.856 0.300 1 590 58 58 GLN NE2 N 117.299 0.300 1 591 59 59 ASN H H 8.838 0.030 1 592 59 59 ASN HA H 5.089 0.030 1 593 59 59 ASN HB2 H 3.218 0.030 2 594 59 59 ASN HB3 H 2.793 0.030 2 595 59 59 ASN HD21 H 7.309 0.030 2 596 59 59 ASN HD22 H 7.549 0.030 2 597 59 59 ASN C C 175.666 0.300 1 598 59 59 ASN CA C 54.637 0.300 1 599 59 59 ASN CB C 39.418 0.300 1 600 59 59 ASN N N 119.401 0.300 1 601 59 59 ASN ND2 N 109.994 0.300 1 602 60 60 CYS H H 8.248 0.030 1 603 60 60 CYS HA H 4.921 0.030 1 604 60 60 CYS HB2 H 3.312 0.030 2 605 60 60 CYS HB3 H 3.199 0.030 2 606 60 60 CYS C C 175.921 0.300 1 607 60 60 CYS CA C 59.167 0.300 1 608 60 60 CYS CB C 31.050 0.300 1 609 60 60 CYS N N 119.031 0.300 1 610 61 61 LYS H H 7.932 0.030 1 611 61 61 LYS HA H 4.008 0.030 1 612 61 61 LYS HB2 H 2.168 0.030 2 613 61 61 LYS HB3 H 1.969 0.030 2 614 61 61 LYS HD2 H 1.595 0.030 2 615 61 61 LYS HD3 H 1.482 0.030 2 616 61 61 LYS HE2 H 2.953 0.030 1 617 61 61 LYS HE3 H 2.953 0.030 1 618 61 61 LYS HG2 H 1.329 0.030 2 619 61 61 LYS HG3 H 1.180 0.030 2 620 61 61 LYS C C 174.958 0.300 1 621 61 61 LYS CA C 56.814 0.300 1 622 61 61 LYS CB C 28.564 0.300 1 623 61 61 LYS CD C 28.273 0.300 1 624 61 61 LYS CE C 42.506 0.300 1 625 61 61 LYS CG C 24.773 0.300 1 626 61 61 LYS N N 117.286 0.300 1 627 62 62 GLN H H 8.434 0.030 1 628 62 62 GLN HA H 4.829 0.030 1 629 62 62 GLN HB2 H 2.334 0.030 1 630 62 62 GLN HB3 H 2.334 0.030 1 631 62 62 GLN HE21 H 7.443 0.030 2 632 62 62 GLN HE22 H 6.917 0.030 2 633 62 62 GLN HG2 H 2.461 0.030 1 634 62 62 GLN HG3 H 2.461 0.030 1 635 62 62 GLN C C 176.327 0.300 1 636 62 62 GLN CA C 54.163 0.300 1 637 62 62 GLN CB C 31.273 0.300 1 638 62 62 GLN CG C 33.704 0.300 1 639 62 62 GLN N N 117.908 0.300 1 640 62 62 GLN NE2 N 113.109 0.300 1 641 63 63 SER H H 8.663 0.030 1 642 63 63 SER HA H 4.583 0.030 1 643 63 63 SER HB2 H 3.979 0.030 2 644 63 63 SER HB3 H 3.790 0.030 2 645 63 63 SER C C 174.892 0.300 1 646 63 63 SER CA C 57.650 0.300 1 647 63 63 SER CB C 63.976 0.300 1 648 63 63 SER N N 117.105 0.300 1 649 64 64 GLY H H 8.643 0.030 1 650 64 64 GLY HA2 H 4.010 0.030 2 651 64 64 GLY HA3 H 4.223 0.030 2 652 64 64 GLY C C 173.704 0.300 1 653 64 64 GLY CA C 44.807 0.300 1 654 64 64 GLY N N 109.704 0.300 1 655 65 65 GLU H H 8.675 0.030 1 656 65 65 GLU HA H 4.148 0.030 1 657 65 65 GLU HB2 H 2.175 0.030 2 658 65 65 GLU HB3 H 1.951 0.030 2 659 65 65 GLU HG2 H 2.216 0.030 1 660 65 65 GLU HG3 H 2.216 0.030 1 661 65 65 GLU C C 177.250 0.300 1 662 65 65 GLU CA C 56.866 0.300 1 663 65 65 GLU CB C 28.410 0.300 1 664 65 65 GLU CG C 35.815 0.300 1 665 65 65 GLU N N 117.891 0.300 1 666 66 66 ASP H H 8.400 0.030 1 667 66 66 ASP HA H 4.271 0.030 1 668 66 66 ASP HB2 H 2.673 0.030 2 669 66 66 ASP HB3 H 2.601 0.030 2 670 66 66 ASP C C 177.738 0.300 1 671 66 66 ASP CA C 56.551 0.300 1 672 66 66 ASP CB C 40.733 0.300 1 673 66 66 ASP N N 118.409 0.300 1 674 67 67 SER H H 8.207 0.030 1 675 67 67 SER HA H 4.385 0.030 1 676 67 67 SER HB2 H 3.950 0.030 2 677 67 67 SER HB3 H 3.894 0.030 2 678 67 67 SER C C 174.639 0.300 1 679 67 67 SER CA C 59.462 0.300 1 680 67 67 SER CB C 63.111 0.300 1 681 67 67 SER N N 113.861 0.300 1 682 68 68 LYS H H 8.201 0.030 1 683 68 68 LYS HA H 4.418 0.030 1 684 68 68 LYS HB2 H 1.832 0.030 2 685 68 68 LYS HB3 H 2.442 0.030 2 686 68 68 LYS HD2 H 1.741 0.030 1 687 68 68 LYS HD3 H 1.741 0.030 1 688 68 68 LYS HE2 H 2.985 0.030 1 689 68 68 LYS HE3 H 2.985 0.030 1 690 68 68 LYS HG2 H 1.391 0.030 2 691 68 68 LYS HG3 H 1.499 0.030 2 692 68 68 LYS C C 175.024 0.300 1 693 68 68 LYS CA C 55.285 0.300 1 694 68 68 LYS CB C 32.533 0.300 1 695 68 68 LYS CD C 29.072 0.300 1 696 68 68 LYS CE C 42.395 0.300 1 697 68 68 LYS CG C 25.162 0.300 1 698 68 68 LYS N N 121.709 0.300 1 699 69 69 MET H H 7.808 0.030 1 700 69 69 MET HA H 4.405 0.030 1 701 69 69 MET HB2 H 1.860 0.030 2 702 69 69 MET HB3 H 1.694 0.030 2 703 69 69 MET HE H 1.490 0.030 1 704 69 69 MET HG2 H 1.992 0.030 1 705 69 69 MET HG3 H 1.992 0.030 1 706 69 69 MET C C 175.081 0.300 1 707 69 69 MET CA C 55.219 0.300 1 708 69 69 MET CB C 33.922 0.300 1 709 69 69 MET CE C 16.398 0.300 1 710 69 69 MET CG C 32.036 0.300 1 711 69 69 MET N N 121.624 0.300 1 712 70 70 LEU H H 8.770 0.030 1 713 70 70 LEU HA H 4.154 0.030 1 714 70 70 LEU HB2 H 0.838 0.030 2 715 70 70 LEU HB3 H 0.419 0.030 2 716 70 70 LEU HD1 H -0.056 0.030 1 717 70 70 LEU HD2 H 0.052 0.030 1 718 70 70 LEU HG H 0.995 0.030 1 719 70 70 LEU C C 175.291 0.300 1 720 70 70 LEU CA C 54.233 0.300 1 721 70 70 LEU CB C 42.273 0.300 1 722 70 70 LEU CD1 C 25.262 0.300 2 723 70 70 LEU CD2 C 24.229 0.300 2 724 70 70 LEU CG C 26.550 0.300 1 725 70 70 LEU N N 128.560 0.300 1 726 71 71 VAL H H 8.222 0.030 1 727 71 71 VAL HA H 4.720 0.030 1 728 71 71 VAL HB H 1.826 0.030 1 729 71 71 VAL HG1 H 0.745 0.030 1 730 71 71 VAL HG2 H 0.682 0.030 1 731 71 71 VAL C C 175.857 0.300 1 732 71 71 VAL CA C 60.926 0.300 1 733 71 71 VAL CB C 33.771 0.300 1 734 71 71 VAL CG1 C 21.529 0.300 2 735 71 71 VAL CG2 C 21.173 0.300 2 736 71 71 VAL N N 121.024 0.300 1 737 72 72 CYS H H 9.115 0.030 1 738 72 72 CYS HA H 4.686 0.030 1 739 72 72 CYS HB2 H 3.651 0.030 2 740 72 72 CYS HB3 H 2.947 0.030 2 741 72 72 CYS C C 177.913 0.300 1 742 72 72 CYS CA C 60.204 0.300 1 743 72 72 CYS CB C 31.322 0.300 1 744 72 72 CYS N N 129.914 0.300 1 745 73 73 ASP H H 9.437 0.030 1 746 73 73 ASP HA H 4.499 0.030 1 747 73 73 ASP HB2 H 2.868 0.030 1 748 73 73 ASP HB3 H 2.868 0.030 1 749 73 73 ASP C C 176.365 0.300 1 750 73 73 ASP CA C 56.667 0.300 1 751 73 73 ASP CB C 41.381 0.300 1 752 73 73 ASP N N 131.319 0.300 1 753 74 74 THR H H 9.465 0.030 1 754 74 74 THR HA H 4.461 0.030 1 755 74 74 THR HB H 4.506 0.030 1 756 74 74 THR HG2 H 1.257 0.030 1 757 74 74 THR C C 174.902 0.300 1 758 74 74 THR CA C 65.497 0.300 1 759 74 74 THR CB C 69.778 0.300 1 760 74 74 THR CG2 C 22.277 0.300 1 761 74 74 THR N N 119.307 0.300 1 762 75 75 CYS H H 8.578 0.030 1 763 75 75 CYS HA H 4.880 0.030 1 764 75 75 CYS HB2 H 3.264 0.030 2 765 75 75 CYS HB3 H 2.564 0.030 2 766 75 75 CYS C C 175.617 0.300 1 767 75 75 CYS CA C 59.273 0.300 1 768 75 75 CYS CB C 32.094 0.300 1 769 75 75 CYS N N 120.514 0.300 1 770 76 76 ASP H H 8.075 0.030 1 771 76 76 ASP HA H 4.707 0.030 1 772 76 76 ASP HB2 H 3.193 0.030 2 773 76 76 ASP HB3 H 2.256 0.030 2 774 76 76 ASP C C 174.582 0.300 1 775 76 76 ASP CA C 57.018 0.300 1 776 76 76 ASP CB C 43.880 0.300 1 777 76 76 ASP N N 122.440 0.300 1 778 77 77 LYS H H 8.251 0.030 1 779 77 77 LYS HA H 4.329 0.030 1 780 77 77 LYS HB2 H 2.256 0.030 2 781 77 77 LYS HB3 H 1.593 0.030 2 782 77 77 LYS HD2 H 1.803 0.030 2 783 77 77 LYS HD3 H 1.595 0.030 2 784 77 77 LYS HE2 H 3.087 0.030 1 785 77 77 LYS HE3 H 3.087 0.030 1 786 77 77 LYS HG2 H 1.707 0.030 2 787 77 77 LYS HG3 H 1.458 0.030 2 788 77 77 LYS C C 175.780 0.300 1 789 77 77 LYS CA C 57.183 0.300 1 790 77 77 LYS CB C 33.523 0.300 1 791 77 77 LYS CD C 28.689 0.300 1 792 77 77 LYS CE C 43.124 0.300 1 793 77 77 LYS CG C 26.976 0.300 1 794 77 77 LYS N N 119.524 0.300 1 795 78 78 GLY H H 9.190 0.030 1 796 78 78 GLY HA2 H 3.066 0.030 2 797 78 78 GLY HA3 H 5.488 0.030 2 798 78 78 GLY C C 172.094 0.300 1 799 78 78 GLY CA C 44.123 0.300 1 800 78 78 GLY N N 108.028 0.300 1 801 79 79 TYR H H 8.803 0.030 1 802 79 79 TYR HA H 5.236 0.030 1 803 79 79 TYR HB2 H 2.599 0.030 2 804 79 79 TYR HB3 H 2.469 0.030 2 805 79 79 TYR HD1 H 7.140 0.030 1 806 79 79 TYR HD2 H 7.140 0.030 1 807 79 79 TYR HE1 H 6.748 0.030 1 808 79 79 TYR HE2 H 6.748 0.030 1 809 79 79 TYR C C 175.650 0.300 1 810 79 79 TYR CA C 56.283 0.300 1 811 79 79 TYR CB C 43.477 0.300 1 812 79 79 TYR CD1 C 133.770 0.300 1 813 79 79 TYR CD2 C 133.770 0.300 1 814 79 79 TYR CE1 C 118.302 0.300 1 815 79 79 TYR CE2 C 118.302 0.300 1 816 79 79 TYR N N 118.039 0.300 1 817 80 80 HIS H H 9.281 0.030 1 818 80 80 HIS HA H 4.804 0.030 1 819 80 80 HIS HB2 H 2.904 0.030 2 820 80 80 HIS HB3 H 1.442 0.030 2 821 80 80 HIS HD2 H 6.802 0.030 1 822 80 80 HIS HE1 H 7.387 0.030 1 823 80 80 HIS C C 178.635 0.300 1 824 80 80 HIS CA C 57.860 0.300 1 825 80 80 HIS CB C 30.319 0.300 1 826 80 80 HIS CD2 C 117.983 0.300 1 827 80 80 HIS CE1 C 138.150 0.300 1 828 80 80 HIS N N 122.683 0.300 1 829 81 81 THR H H 9.064 0.030 1 830 81 81 THR HA H 3.619 0.030 1 831 81 81 THR HB H 4.404 0.030 1 832 81 81 THR HG2 H 1.087 0.030 1 833 81 81 THR C C 176.945 0.300 1 834 81 81 THR CA C 65.146 0.300 1 835 81 81 THR CB C 66.705 0.300 1 836 81 81 THR CG2 C 22.890 0.300 1 837 81 81 THR N N 114.166 0.300 1 838 82 82 PHE H H 6.558 0.030 1 839 82 82 PHE HA H 4.804 0.030 1 840 82 82 PHE HB2 H 3.589 0.030 2 841 82 82 PHE HB3 H 2.946 0.030 2 842 82 82 PHE HD1 H 7.233 0.030 1 843 82 82 PHE HD2 H 7.233 0.030 1 844 82 82 PHE HE1 H 7.075 0.030 1 845 82 82 PHE HE2 H 7.075 0.030 1 846 82 82 PHE HZ H 6.379 0.030 1 847 82 82 PHE C C 176.145 0.300 1 848 82 82 PHE CA C 56.207 0.300 1 849 82 82 PHE CB C 37.157 0.300 1 850 82 82 PHE CD1 C 132.456 0.300 1 851 82 82 PHE CD2 C 132.456 0.300 1 852 82 82 PHE CE1 C 131.967 0.300 1 853 82 82 PHE CE2 C 131.967 0.300 1 854 82 82 PHE CZ C 130.024 0.300 1 855 82 82 PHE N N 111.835 0.300 1 856 83 83 CYS H H 7.591 0.030 1 857 83 83 CYS HA H 4.562 0.030 1 858 83 83 CYS HB2 H 2.859 0.030 2 859 83 83 CYS HB3 H 3.424 0.030 2 860 83 83 CYS C C 174.741 0.300 1 861 83 83 CYS CA C 60.901 0.300 1 862 83 83 CYS CB C 31.058 0.300 1 863 83 83 CYS N N 121.585 0.300 1 864 84 84 LEU H H 6.812 0.030 1 865 84 84 LEU HA H 4.390 0.030 1 866 84 84 LEU HB2 H 1.748 0.030 2 867 84 84 LEU HB3 H 1.433 0.030 2 868 84 84 LEU HD1 H 0.714 0.030 1 869 84 84 LEU HD2 H 0.746 0.030 1 870 84 84 LEU HG H 1.793 0.030 1 871 84 84 LEU C C 175.084 0.300 1 872 84 84 LEU CA C 54.197 0.300 1 873 84 84 LEU CB C 44.073 0.300 1 874 84 84 LEU CD1 C 26.896 0.300 2 875 84 84 LEU CD2 C 23.417 0.300 2 876 84 84 LEU CG C 26.322 0.300 1 877 84 84 LEU N N 122.090 0.300 1 878 85 85 GLN H H 7.906 0.030 1 879 85 85 GLN HA H 4.591 0.030 1 880 85 85 GLN HB2 H 1.959 0.030 2 881 85 85 GLN HB3 H 1.891 0.030 2 882 85 85 GLN HE21 H 7.564 0.030 2 883 85 85 GLN HE22 H 6.833 0.030 2 884 85 85 GLN HG2 H 2.253 0.030 1 885 85 85 GLN HG3 H 2.253 0.030 1 886 85 85 GLN C C 174.290 0.300 1 887 85 85 GLN CA C 52.322 0.300 1 888 85 85 GLN CB C 31.065 0.300 1 889 85 85 GLN CG C 33.537 0.300 1 890 85 85 GLN N N 117.984 0.300 1 891 85 85 GLN NE2 N 112.528 0.300 1 892 86 86 PRO HA H 4.774 0.030 1 893 86 86 PRO HB2 H 2.080 0.030 2 894 86 86 PRO HB3 H 2.408 0.030 2 895 86 86 PRO HD2 H 3.620 0.030 2 896 86 86 PRO HD3 H 3.477 0.030 2 897 86 86 PRO HG2 H 1.817 0.030 2 898 86 86 PRO HG3 H 1.930 0.030 2 899 86 86 PRO C C 175.380 0.300 1 900 86 86 PRO CA C 62.969 0.300 1 901 86 86 PRO CB C 34.587 0.300 1 902 86 86 PRO CD C 50.035 0.300 1 903 86 86 PRO CG C 25.061 0.300 1 904 87 87 VAL H H 8.186 0.030 1 905 87 87 VAL HA H 3.863 0.030 1 906 87 87 VAL HB H 2.016 0.030 1 907 87 87 VAL HG1 H 0.972 0.030 1 908 87 87 VAL HG2 H 1.055 0.030 1 909 87 87 VAL C C 177.059 0.300 1 910 87 87 VAL CA C 63.276 0.300 1 911 87 87 VAL CB C 32.398 0.300 1 912 87 87 VAL CG1 C 21.300 0.300 2 913 87 87 VAL CG2 C 21.246 0.300 2 914 87 87 VAL N N 117.860 0.300 1 915 88 88 MET H H 7.729 0.030 1 916 88 88 MET HA H 4.570 0.030 1 917 88 88 MET HB2 H 1.832 0.030 2 918 88 88 MET HB3 H 1.991 0.030 2 919 88 88 MET HE H 2.017 0.030 1 920 88 88 MET HG2 H 2.465 0.030 1 921 88 88 MET HG3 H 2.465 0.030 1 922 88 88 MET C C 175.834 0.300 1 923 88 88 MET CA C 54.638 0.300 1 924 88 88 MET CB C 34.148 0.300 1 925 88 88 MET CE C 17.023 0.300 1 926 88 88 MET CG C 32.309 0.300 1 927 88 88 MET N N 124.739 0.300 1 928 89 89 LYS H H 8.728 0.030 1 929 89 89 LYS HA H 4.235 0.030 1 930 89 89 LYS HB2 H 1.770 0.030 2 931 89 89 LYS HB3 H 1.905 0.030 2 932 89 89 LYS HD2 H 1.672 0.030 1 933 89 89 LYS HD3 H 1.672 0.030 1 934 89 89 LYS HE2 H 2.978 0.030 1 935 89 89 LYS HE3 H 2.978 0.030 1 936 89 89 LYS HG2 H 1.386 0.030 2 937 89 89 LYS HG3 H 1.485 0.030 2 938 89 89 LYS C C 176.231 0.300 1 939 89 89 LYS CA C 57.269 0.300 1 940 89 89 LYS CB C 32.964 0.300 1 941 89 89 LYS CD C 28.927 0.300 1 942 89 89 LYS CE C 42.021 0.300 1 943 89 89 LYS CG C 25.101 0.300 1 944 89 89 LYS N N 123.479 0.300 1 945 90 90 SER H H 7.606 0.030 1 946 90 90 SER HA H 4.576 0.030 1 947 90 90 SER HB2 H 3.788 0.030 2 948 90 90 SER HB3 H 3.718 0.030 2 949 90 90 SER C C 172.636 0.300 1 950 90 90 SER CA C 56.638 0.300 1 951 90 90 SER CB C 64.509 0.300 1 952 90 90 SER N N 112.335 0.300 1 953 91 91 VAL H H 8.403 0.030 1 954 91 91 VAL HA H 4.190 0.030 1 955 91 91 VAL HB H 1.971 0.030 1 956 91 91 VAL HG1 H 0.853 0.030 1 957 91 91 VAL HG2 H 0.889 0.030 1 958 91 91 VAL C C 174.738 0.300 1 959 91 91 VAL CA C 60.138 0.300 1 960 91 91 VAL CB C 32.410 0.300 1 961 91 91 VAL CG1 C 20.898 0.300 2 962 91 91 VAL CG2 C 20.851 0.300 2 963 91 91 VAL N N 122.656 0.300 1 964 92 92 PRO HA H 4.579 0.030 1 965 92 92 PRO HB2 H 2.122 0.030 2 966 92 92 PRO HB3 H 2.460 0.030 2 967 92 92 PRO HD2 H 3.497 0.030 2 968 92 92 PRO HD3 H 3.924 0.030 2 969 92 92 PRO HG2 H 2.080 0.030 2 970 92 92 PRO HG3 H 2.017 0.030 2 971 92 92 PRO C C 177.403 0.300 1 972 92 92 PRO CA C 62.894 0.300 1 973 92 92 PRO CB C 32.494 0.300 1 974 92 92 PRO CD C 51.265 0.300 1 975 92 92 PRO CG C 27.587 0.300 1 976 93 93 THR H H 8.535 0.030 1 977 93 93 THR HA H 4.325 0.030 1 978 93 93 THR HB H 4.361 0.030 1 979 93 93 THR HG2 H 1.253 0.030 1 980 93 93 THR C C 175.080 0.300 1 981 93 93 THR CA C 62.526 0.300 1 982 93 93 THR CB C 69.487 0.300 1 983 93 93 THR CG2 C 21.789 0.300 1 984 93 93 THR N N 112.921 0.300 1 985 94 94 ASN H H 8.246 0.030 1 986 94 94 ASN HA H 4.956 0.030 1 987 94 94 ASN HB2 H 2.913 0.030 2 988 94 94 ASN HB3 H 2.851 0.030 2 989 94 94 ASN HD21 H 7.671 0.030 2 990 94 94 ASN HD22 H 6.931 0.030 2 991 94 94 ASN C C 175.072 0.300 1 992 94 94 ASN CA C 52.961 0.300 1 993 94 94 ASN CB C 38.969 0.300 1 994 94 94 ASN N N 119.046 0.300 1 995 94 94 ASN ND2 N 113.088 0.300 1 996 95 95 GLY H H 8.312 0.030 1 997 95 95 GLY HA2 H 3.899 0.030 2 998 95 95 GLY HA3 H 4.336 0.030 2 999 95 95 GLY C C 172.864 0.300 1 1000 95 95 GLY CA C 45.340 0.300 1 1001 95 95 GLY N N 109.247 0.300 1 1002 96 96 TRP H H 8.494 0.030 1 1003 96 96 TRP HA H 4.385 0.030 1 1004 96 96 TRP HB2 H 3.097 0.030 1 1005 96 96 TRP HB3 H 3.097 0.030 1 1006 96 96 TRP HD1 H 7.276 0.030 1 1007 96 96 TRP HE1 H 9.888 0.030 1 1008 96 96 TRP HE3 H 7.087 0.030 1 1009 96 96 TRP HH2 H 6.437 0.030 1 1010 96 96 TRP HZ2 H 7.109 0.030 1 1011 96 96 TRP HZ3 H 6.813 0.030 1 1012 96 96 TRP C C 172.910 0.300 1 1013 96 96 TRP CA C 59.947 0.300 1 1014 96 96 TRP CB C 30.249 0.300 1 1015 96 96 TRP CD1 C 125.756 0.300 1 1016 96 96 TRP CE3 C 120.400 0.300 1 1017 96 96 TRP CH2 C 123.235 0.300 1 1018 96 96 TRP CZ2 C 114.570 0.300 1 1019 96 96 TRP CZ3 C 120.360 0.300 1 1020 96 96 TRP N N 123.166 0.300 1 1021 96 96 TRP NE1 N 128.948 0.300 1 1022 97 97 LYS H H 6.681 0.030 1 1023 97 97 LYS HA H 5.206 0.030 1 1024 97 97 LYS HB2 H 1.293 0.030 2 1025 97 97 LYS HB3 H 1.185 0.030 2 1026 97 97 LYS HD2 H 1.428 0.030 1 1027 97 97 LYS HD3 H 1.428 0.030 1 1028 97 97 LYS HE2 H 2.902 0.030 2 1029 97 97 LYS HE3 H 2.937 0.030 2 1030 97 97 LYS HG2 H 1.389 0.030 2 1031 97 97 LYS HG3 H 1.344 0.030 2 1032 97 97 LYS C C 174.686 0.300 1 1033 97 97 LYS CA C 53.365 0.300 1 1034 97 97 LYS CB C 36.932 0.300 1 1035 97 97 LYS CD C 29.506 0.300 1 1036 97 97 LYS CE C 42.000 0.300 1 1037 97 97 LYS CG C 25.307 0.300 1 1038 97 97 LYS N N 124.830 0.300 1 1039 98 98 CYS H H 8.972 0.030 1 1040 98 98 CYS HA H 3.514 0.030 1 1041 98 98 CYS HB2 H 2.998 0.030 2 1042 98 98 CYS HB3 H 2.519 0.030 2 1043 98 98 CYS C C 174.812 0.300 1 1044 98 98 CYS CA C 57.319 0.300 1 1045 98 98 CYS CB C 32.148 0.300 1 1046 98 98 CYS N N 124.833 0.300 1 1047 99 99 LYS H H 8.115 0.030 1 1048 99 99 LYS HA H 3.678 0.030 1 1049 99 99 LYS HB2 H 1.733 0.030 2 1050 99 99 LYS HB3 H 1.833 0.030 2 1051 99 99 LYS HD2 H 1.699 0.030 1 1052 99 99 LYS HD3 H 1.699 0.030 1 1053 99 99 LYS HE2 H 3.027 0.030 1 1054 99 99 LYS HE3 H 3.027 0.030 1 1055 99 99 LYS HG2 H 1.368 0.030 1 1056 99 99 LYS HG3 H 1.368 0.030 1 1057 99 99 LYS C C 177.628 0.300 1 1058 99 99 LYS CA C 59.285 0.300 1 1059 99 99 LYS CB C 32.153 0.300 1 1060 99 99 LYS CD C 29.433 0.300 1 1061 99 99 LYS CE C 42.175 0.300 1 1062 99 99 LYS CG C 24.301 0.300 1 1063 99 99 LYS N N 117.344 0.300 1 1064 100 100 ASN H H 8.284 0.030 1 1065 100 100 ASN HA H 4.527 0.030 1 1066 100 100 ASN HB2 H 2.907 0.030 2 1067 100 100 ASN HB3 H 2.848 0.030 2 1068 100 100 ASN HD21 H 7.080 0.030 2 1069 100 100 ASN HD22 H 7.816 0.030 2 1070 100 100 ASN C C 177.209 0.300 1 1071 100 100 ASN CA C 55.792 0.300 1 1072 100 100 ASN CB C 39.205 0.300 1 1073 100 100 ASN N N 117.997 0.300 1 1074 100 100 ASN ND2 N 114.717 0.300 1 1075 101 101 CYS H H 8.136 0.030 1 1076 101 101 CYS HA H 4.073 0.030 1 1077 101 101 CYS HB2 H 2.774 0.030 2 1078 101 101 CYS HB3 H 2.621 0.030 2 1079 101 101 CYS C C 176.706 0.300 1 1080 101 101 CYS CA C 62.801 0.300 1 1081 101 101 CYS CB C 30.153 0.300 1 1082 101 101 CYS N N 122.917 0.300 1 1083 102 102 ARG H H 7.848 0.030 1 1084 102 102 ARG HA H 3.961 0.030 1 1085 102 102 ARG HB2 H 1.650 0.030 1 1086 102 102 ARG HB3 H 1.650 0.030 1 1087 102 102 ARG HD2 H 3.025 0.030 1 1088 102 102 ARG HD3 H 3.025 0.030 1 1089 102 102 ARG HG2 H 1.505 0.030 2 1090 102 102 ARG HG3 H 1.450 0.030 2 1091 102 102 ARG C C 176.575 0.300 1 1092 102 102 ARG CA C 57.440 0.300 1 1093 102 102 ARG CB C 30.255 0.300 1 1094 102 102 ARG CD C 43.522 0.300 1 1095 102 102 ARG CG C 26.950 0.300 1 1096 102 102 ARG N N 118.634 0.300 1 1097 103 103 ILE H H 7.693 0.030 1 1098 103 103 ILE HA H 4.062 0.030 1 1099 103 103 ILE HB H 1.889 0.030 1 1100 103 103 ILE HD1 H 0.845 0.030 1 1101 103 103 ILE HG12 H 1.516 0.030 2 1102 103 103 ILE HG13 H 1.186 0.030 2 1103 103 103 ILE HG2 H 0.875 0.030 1 1104 103 103 ILE C C 176.395 0.300 1 1105 103 103 ILE CA C 61.808 0.300 1 1106 103 103 ILE CB C 38.433 0.300 1 1107 103 103 ILE CD1 C 13.043 0.300 1 1108 103 103 ILE CG1 C 27.484 0.300 1 1109 103 103 ILE CG2 C 17.388 0.300 1 1110 103 103 ILE N N 119.311 0.300 1 1111 104 104 CYS H H 8.137 0.030 1 1112 104 104 CYS HA H 4.444 0.030 1 1113 104 104 CYS HB2 H 2.892 0.030 1 1114 104 104 CYS HB3 H 2.892 0.030 1 1115 104 104 CYS C C 174.776 0.300 1 1116 104 104 CYS CA C 59.057 0.300 1 1117 104 104 CYS CB C 27.646 0.300 1 1118 104 104 CYS N N 122.635 0.300 1 1119 105 105 ILE H H 8.207 0.030 1 1120 105 105 ILE HA H 4.203 0.030 1 1121 105 105 ILE HB H 1.891 0.030 1 1122 105 105 ILE HD1 H 0.831 0.030 1 1123 105 105 ILE HG12 H 1.458 0.030 2 1124 105 105 ILE HG13 H 1.177 0.030 2 1125 105 105 ILE HG2 H 0.895 0.030 1 1126 105 105 ILE C C 176.280 0.300 1 1127 105 105 ILE CA C 61.410 0.300 1 1128 105 105 ILE CB C 38.609 0.300 1 1129 105 105 ILE CD1 C 13.005 0.300 1 1130 105 105 ILE CG1 C 27.199 0.300 1 1131 105 105 ILE CG2 C 17.458 0.300 1 1132 105 105 ILE N N 123.025 0.300 1 1133 106 106 SER H H 8.336 0.030 1 1134 106 106 SER HA H 4.502 0.030 1 1135 106 106 SER HB2 H 3.856 0.030 1 1136 106 106 SER HB3 H 3.856 0.030 1 1137 106 106 SER C C 174.443 0.300 1 1138 106 106 SER CA C 58.274 0.300 1 1139 106 106 SER CB C 63.926 0.300 1 1140 106 106 SER N N 119.322 0.300 1 1141 107 107 GLY H H 8.209 0.030 1 1142 107 107 GLY HA2 H 4.139 0.030 2 1143 107 107 GLY HA3 H 4.112 0.030 2 1144 107 107 GLY C C 171.720 0.300 1 1145 107 107 GLY CA C 44.638 0.300 1 1146 107 107 GLY N N 110.961 0.300 1 1147 108 108 PRO HA H 4.467 0.030 1 1148 108 108 PRO HB2 H 1.978 0.030 2 1149 108 108 PRO HB3 H 2.291 0.030 2 1150 108 108 PRO HD2 H 3.626 0.030 1 1151 108 108 PRO HD3 H 3.626 0.030 1 1152 108 108 PRO HG2 H 2.025 0.030 1 1153 108 108 PRO HG3 H 2.025 0.030 1 1154 108 108 PRO C C 177.392 0.300 1 1155 108 108 PRO CA C 63.270 0.300 1 1156 108 108 PRO CB C 32.166 0.300 1 1157 108 108 PRO CD C 49.748 0.300 1 1158 108 108 PRO CG C 27.192 0.300 1 1159 109 109 SER H H 8.536 0.030 1 1160 109 109 SER HA H 4.501 0.030 1 1161 109 109 SER HB2 H 3.899 0.030 1 1162 109 109 SER HB3 H 3.899 0.030 1 1163 109 109 SER C C 174.654 0.300 1 1164 109 109 SER CA C 58.271 0.300 1 1165 109 109 SER CB C 63.843 0.300 1 1166 109 109 SER N N 116.397 0.300 1 1167 110 110 SER H H 8.339 0.030 1 1168 110 110 SER HA H 4.470 0.030 1 1169 110 110 SER HB2 H 3.885 0.030 1 1170 110 110 SER HB3 H 3.885 0.030 1 1171 110 110 SER C C 173.924 0.300 1 1172 110 110 SER CA C 58.550 0.300 1 1173 110 110 SER CB C 63.862 0.300 1 1174 110 110 SER N N 117.874 0.300 1 1175 111 111 GLY H H 8.063 0.030 1 1176 111 111 GLY HA2 H 3.793 0.030 2 1177 111 111 GLY HA3 H 3.742 0.030 2 1178 111 111 GLY C C 178.999 0.300 1 1179 111 111 GLY CA C 46.033 0.300 1 1180 111 111 GLY N N 116.882 0.300 1 stop_ save_