data_11334 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the TFIIS domain II of human PHD finger protein 3 ; _BMRB_accession_number 11334 _BMRB_flat_file_name bmr11334.str _Entry_type original _Submission_date 2010-08-10 _Accession_date 2010-08-10 _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 Yoneyama M. . . 2 Tochio N. . . 3 Koshiba S. . . 4 Watabe S. . . 5 Harada T. . . 6 Kigawa T. . . 7 Yokoyama S. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 705 "13C chemical shifts" 520 "15N chemical shifts" 111 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-08-19 original author . stop_ _Original_release_date 2011-08-19 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of the TFIIS domain II of human PHD finger protein 3' _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 Yoneyama M. . . 2 Tochio N. . . 3 Koshiba S. . . 4 Watabe S. . . 5 Harada T. . . 6 Kigawa T. . . 7 Yokoyama S. . . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'PHD finger protein 3' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'TFSII_M 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 'TFSII_M domain' _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 120 _Mol_residue_sequence ; GSSGSSGSADQIRQSVRHSL KDILMKRLTDSNLKVPEEKA AKVATKIEKELFSFFRDTDA KYKNKYRSLMFNLKDPKNNI LFKKVLKGEVTPDHLIRMSP EELASKELAAWRRRSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 SER 9 ALA 10 ASP 11 GLN 12 ILE 13 ARG 14 GLN 15 SER 16 VAL 17 ARG 18 HIS 19 SER 20 LEU 21 LYS 22 ASP 23 ILE 24 LEU 25 MET 26 LYS 27 ARG 28 LEU 29 THR 30 ASP 31 SER 32 ASN 33 LEU 34 LYS 35 VAL 36 PRO 37 GLU 38 GLU 39 LYS 40 ALA 41 ALA 42 LYS 43 VAL 44 ALA 45 THR 46 LYS 47 ILE 48 GLU 49 LYS 50 GLU 51 LEU 52 PHE 53 SER 54 PHE 55 PHE 56 ARG 57 ASP 58 THR 59 ASP 60 ALA 61 LYS 62 TYR 63 LYS 64 ASN 65 LYS 66 TYR 67 ARG 68 SER 69 LEU 70 MET 71 PHE 72 ASN 73 LEU 74 LYS 75 ASP 76 PRO 77 LYS 78 ASN 79 ASN 80 ILE 81 LEU 82 PHE 83 LYS 84 LYS 85 VAL 86 LEU 87 LYS 88 GLY 89 GLU 90 VAL 91 THR 92 PRO 93 ASP 94 HIS 95 LEU 96 ILE 97 ARG 98 MET 99 SER 100 PRO 101 GLU 102 GLU 103 LEU 104 ALA 105 SER 106 LYS 107 GLU 108 LEU 109 ALA 110 ALA 111 TRP 112 ARG 113 ARG 114 ARG 115 SER 116 GLY 117 PRO 118 SER 119 SER 120 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-04-26 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 2DME "Solution Structure Of The Tfiis Domain Ii Of Human Phd Finger Protein 3" 100.00 120 100.00 100.00 3.33e-80 DBJ BAC65512 "mKIAA0244 protein [Mus musculus]" 91.67 1184 97.27 98.18 1.32e-63 GB AAI37914 "PHD finger protein 3 [Mus musculus]" 91.67 2025 97.27 98.18 2.37e-63 GB EDL14421 "mCG4035 [Mus musculus]" 91.67 2020 97.27 98.18 2.77e-63 GB EDL99332 "PHD finger protein 3 (predicted) [Rattus norvegicus]" 89.17 2020 98.13 100.00 7.08e-63 GB EHB14770 "PHD finger protein 3 [Heterocephalus glaber]" 91.67 2028 97.27 98.18 5.74e-63 GB ELK35434 "PHD finger protein 3 [Myotis davidii]" 89.17 2033 100.00 100.00 1.54e-63 REF NP_001074549 "PHD finger protein 3 [Mus musculus]" 91.67 2025 97.27 98.18 2.37e-63 REF NP_001102261 "PHD finger protein 3 [Rattus norvegicus]" 89.17 2020 98.13 100.00 7.08e-63 REF NP_001179500 "PHD finger protein 3 [Bos taurus]" 92.50 2025 97.30 97.30 1.69e-63 REF XP_004011630 "PREDICTED: PHD finger protein 3 isoform X1 [Ovis aries]" 92.50 2044 97.30 97.30 1.63e-63 REF XP_004011631 "PREDICTED: PHD finger protein 3 isoform X3 [Ovis aries]" 92.50 1939 97.30 97.30 1.24e-63 TPG DAA26423 "TPA: PHD finger protein 3 [Bos taurus]" 92.50 2025 97.30 97.30 1.60e-63 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1 'cell free synthesis' 'E. coli' Escherichia coli . plasmid P051216-05 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1.20mM TFSII_M domain U-15N, {13C;} 20mM d-Tris HCl(pH {7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 10% D2O, 90% H2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.20 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' H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Saveframe_category software _Name xwinnmr _Version 3.5 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 20030801 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRVIEW _Saveframe_category software _Name NMRView _Version 5.0.4 loop_ _Vendor _Address _Electronic_address 'Johnson, B. A.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_Kujira _Saveframe_category software _Name Kujira _Version 0.9736 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 Bruker _Model AVANCE _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_15N-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ save_3D_13C-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 120 0.1 mM pH 7.0 0.05 pH pressure 1 0.001 atm temperature 296 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Saveframe_category chemical_shift_reference _Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $XWINNMR $NMRPipe $NMRVIEW $Kujira $CYANA stop_ loop_ _Experiment_label '3D 15N-separated NOESY' '3D 13C-separated NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name 'TFSII_M 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 8 8 SER HA H 4.403 0.030 1 2 8 8 SER HB2 H 4.002 0.030 2 3 8 8 SER HB3 H 3.908 0.030 2 4 8 8 SER C C 175.206 0.300 1 5 8 8 SER CA C 58.625 0.300 1 6 8 8 SER CB C 63.897 0.300 1 7 9 9 ALA H H 8.495 0.030 1 8 9 9 ALA HA H 4.213 0.030 1 9 9 9 ALA HB H 1.387 0.030 1 10 9 9 ALA C C 179.003 0.300 1 11 9 9 ALA CA C 54.704 0.300 1 12 9 9 ALA CB C 18.924 0.300 1 13 9 9 ALA N N 125.477 0.300 1 14 10 10 ASP H H 8.160 0.030 1 15 10 10 ASP HA H 4.200 0.030 1 16 10 10 ASP HB2 H 2.548 0.030 1 17 10 10 ASP HB3 H 2.548 0.030 1 18 10 10 ASP C C 178.486 0.300 1 19 10 10 ASP CA C 57.029 0.300 1 20 10 10 ASP CB C 40.735 0.300 1 21 10 10 ASP N N 116.624 0.300 1 22 11 11 GLN H H 7.906 0.030 1 23 11 11 GLN HA H 4.026 0.030 1 24 11 11 GLN HB2 H 2.150 0.030 1 25 11 11 GLN HB3 H 2.150 0.030 1 26 11 11 GLN HE21 H 7.478 0.030 2 27 11 11 GLN HE22 H 6.828 0.030 2 28 11 11 GLN HG2 H 2.435 0.030 2 29 11 11 GLN HG3 H 2.378 0.030 2 30 11 11 GLN C C 178.939 0.300 1 31 11 11 GLN CA C 58.773 0.300 1 32 11 11 GLN CB C 28.367 0.300 1 33 11 11 GLN CG C 34.116 0.300 1 34 11 11 GLN N N 119.908 0.300 1 35 11 11 GLN NE2 N 112.349 0.300 1 36 12 12 ILE H H 8.050 0.030 1 37 12 12 ILE HA H 3.741 0.030 1 38 12 12 ILE HB H 2.004 0.030 1 39 12 12 ILE HD1 H 0.868 0.030 1 40 12 12 ILE HG12 H 1.704 0.030 2 41 12 12 ILE HG13 H 1.136 0.030 2 42 12 12 ILE HG2 H 0.921 0.030 1 43 12 12 ILE C C 178.251 0.300 1 44 12 12 ILE CA C 64.871 0.300 1 45 12 12 ILE CB C 37.888 0.300 1 46 12 12 ILE CD1 C 13.167 0.300 1 47 12 12 ILE CG1 C 28.722 0.300 1 48 12 12 ILE CG2 C 17.118 0.300 1 49 12 12 ILE N N 122.205 0.300 1 50 13 13 ARG H H 8.267 0.030 1 51 13 13 ARG HA H 3.982 0.030 1 52 13 13 ARG HB2 H 1.537 0.030 2 53 13 13 ARG HB3 H 1.705 0.030 2 54 13 13 ARG HD2 H 2.475 0.030 2 55 13 13 ARG HD3 H 2.141 0.030 2 56 13 13 ARG HE H 9.573 0.030 1 57 13 13 ARG HG2 H 1.945 0.030 2 58 13 13 ARG HG3 H 1.272 0.030 2 59 13 13 ARG C C 179.254 0.300 1 60 13 13 ARG CA C 60.324 0.300 1 61 13 13 ARG CB C 30.408 0.300 1 62 13 13 ARG CD C 42.592 0.300 1 63 13 13 ARG CG C 26.509 0.300 1 64 13 13 ARG N N 118.973 0.300 1 65 13 13 ARG NE N 86.861 0.300 1 66 14 14 GLN H H 7.853 0.030 1 67 14 14 GLN HA H 3.858 0.030 1 68 14 14 GLN HB2 H 2.081 0.030 2 69 14 14 GLN HB3 H 2.020 0.030 2 70 14 14 GLN HE21 H 7.372 0.030 2 71 14 14 GLN HE22 H 6.848 0.030 2 72 14 14 GLN HG2 H 2.260 0.030 1 73 14 14 GLN HG3 H 2.260 0.030 1 74 14 14 GLN C C 177.884 0.300 1 75 14 14 GLN CA C 58.877 0.300 1 76 14 14 GLN CB C 28.239 0.300 1 77 14 14 GLN CG C 33.604 0.300 1 78 14 14 GLN N N 116.590 0.300 1 79 14 14 GLN NE2 N 112.373 0.300 1 80 15 15 SER H H 8.000 0.030 1 81 15 15 SER HA H 4.288 0.030 1 82 15 15 SER HB2 H 4.064 0.030 1 83 15 15 SER HB3 H 4.064 0.030 1 84 15 15 SER C C 177.614 0.300 1 85 15 15 SER CA C 61.798 0.300 1 86 15 15 SER CB C 62.676 0.300 1 87 15 15 SER N N 116.099 0.300 1 88 16 16 VAL H H 8.257 0.030 1 89 16 16 VAL HA H 3.333 0.030 1 90 16 16 VAL HB H 2.225 0.030 1 91 16 16 VAL HG1 H 0.614 0.030 1 92 16 16 VAL HG2 H 0.321 0.030 1 93 16 16 VAL C C 177.720 0.300 1 94 16 16 VAL CA C 66.730 0.300 1 95 16 16 VAL CB C 31.152 0.300 1 96 16 16 VAL CG1 C 21.027 0.300 2 97 16 16 VAL CG2 C 21.346 0.300 2 98 16 16 VAL N N 125.342 0.300 1 99 17 17 ARG H H 7.933 0.030 1 100 17 17 ARG HA H 3.745 0.030 1 101 17 17 ARG HB2 H 1.937 0.030 2 102 17 17 ARG HB3 H 1.822 0.030 2 103 17 17 ARG HD2 H 3.478 0.030 2 104 17 17 ARG HD3 H 3.216 0.030 2 105 17 17 ARG HG2 H 1.819 0.030 2 106 17 17 ARG HG3 H 1.595 0.030 2 107 17 17 ARG C C 178.707 0.300 1 108 17 17 ARG CA C 60.975 0.300 1 109 17 17 ARG CB C 30.647 0.300 1 110 17 17 ARG CD C 43.903 0.300 1 111 17 17 ARG CG C 28.715 0.300 1 112 17 17 ARG N N 118.194 0.300 1 113 18 18 HIS H H 8.484 0.030 1 114 18 18 HIS HA H 4.276 0.030 1 115 18 18 HIS HB2 H 3.218 0.030 1 116 18 18 HIS HB3 H 3.218 0.030 1 117 18 18 HIS HD2 H 6.987 0.030 1 118 18 18 HIS HE1 H 7.769 0.030 1 119 18 18 HIS C C 177.651 0.300 1 120 18 18 HIS CA C 59.593 0.300 1 121 18 18 HIS CB C 30.664 0.300 1 122 18 18 HIS CD2 C 119.432 0.300 1 123 18 18 HIS CE1 C 138.418 0.300 1 124 18 18 HIS N N 117.955 0.300 1 125 19 19 SER H H 8.498 0.030 1 126 19 19 SER HA H 4.329 0.030 1 127 19 19 SER HB2 H 4.273 0.030 2 128 19 19 SER HB3 H 4.178 0.030 2 129 19 19 SER C C 177.501 0.300 1 130 19 19 SER CA C 61.799 0.300 1 131 19 19 SER CB C 63.515 0.300 1 132 19 19 SER N N 115.580 0.300 1 133 20 20 LEU H H 8.477 0.030 1 134 20 20 LEU HA H 4.144 0.030 1 135 20 20 LEU HB2 H 1.068 0.030 2 136 20 20 LEU HB3 H 2.167 0.030 2 137 20 20 LEU HD1 H 0.853 0.030 1 138 20 20 LEU HD2 H 0.832 0.030 1 139 20 20 LEU HG H 2.141 0.030 1 140 20 20 LEU C C 177.746 0.300 1 141 20 20 LEU CA C 57.890 0.300 1 142 20 20 LEU CB C 42.933 0.300 1 143 20 20 LEU CD1 C 27.053 0.300 2 144 20 20 LEU CD2 C 22.939 0.300 2 145 20 20 LEU CG C 27.006 0.300 1 146 20 20 LEU N N 120.993 0.300 1 147 21 21 LYS H H 7.843 0.030 1 148 21 21 LYS HA H 3.620 0.030 1 149 21 21 LYS HB2 H 1.829 0.030 2 150 21 21 LYS HB3 H 2.019 0.030 2 151 21 21 LYS HD2 H 1.718 0.030 2 152 21 21 LYS HD3 H 1.654 0.030 2 153 21 21 LYS HE2 H 2.905 0.030 1 154 21 21 LYS HE3 H 2.905 0.030 1 155 21 21 LYS HG2 H 1.306 0.030 2 156 21 21 LYS HG3 H 1.225 0.030 2 157 21 21 LYS C C 177.562 0.300 1 158 21 21 LYS CA C 60.585 0.300 1 159 21 21 LYS CB C 31.412 0.300 1 160 21 21 LYS CD C 29.465 0.300 1 161 21 21 LYS CE C 41.968 0.300 1 162 21 21 LYS CG C 24.809 0.300 1 163 21 21 LYS N N 120.105 0.300 1 164 22 22 ASP H H 8.310 0.030 1 165 22 22 ASP HA H 4.316 0.030 1 166 22 22 ASP HB2 H 2.700 0.030 2 167 22 22 ASP HB3 H 2.634 0.030 2 168 22 22 ASP C C 179.331 0.300 1 169 22 22 ASP CA C 57.650 0.300 1 170 22 22 ASP CB C 40.970 0.300 1 171 22 22 ASP N N 118.189 0.300 1 172 23 23 ILE H H 8.098 0.030 1 173 23 23 ILE HA H 4.112 0.030 1 174 23 23 ILE HB H 1.888 0.030 1 175 23 23 ILE HD1 H 0.916 0.030 1 176 23 23 ILE HG12 H 1.419 0.030 2 177 23 23 ILE HG13 H 1.181 0.030 2 178 23 23 ILE HG2 H 0.984 0.030 1 179 23 23 ILE C C 177.311 0.300 1 180 23 23 ILE CA C 62.056 0.300 1 181 23 23 ILE CB C 37.803 0.300 1 182 23 23 ILE CD1 C 14.396 0.300 1 183 23 23 ILE CG1 C 29.694 0.300 1 184 23 23 ILE CG2 C 19.399 0.300 1 185 23 23 ILE N N 118.965 0.300 1 186 24 24 LEU H H 7.989 0.030 1 187 24 24 LEU HA H 3.890 0.030 1 188 24 24 LEU HB2 H 1.286 0.030 2 189 24 24 LEU HB3 H 2.145 0.030 2 190 24 24 LEU HD1 H 0.820 0.030 1 191 24 24 LEU HD2 H 0.916 0.030 1 192 24 24 LEU HG H 2.047 0.030 1 193 24 24 LEU C C 178.481 0.300 1 194 24 24 LEU CA C 58.488 0.300 1 195 24 24 LEU CB C 41.628 0.300 1 196 24 24 LEU CD1 C 25.772 0.300 2 197 24 24 LEU CD2 C 22.851 0.300 2 198 24 24 LEU CG C 26.736 0.300 1 199 24 24 LEU N N 121.718 0.300 1 200 25 25 MET H H 8.581 0.030 1 201 25 25 MET HA H 4.302 0.030 1 202 25 25 MET HB2 H 2.204 0.030 2 203 25 25 MET HB3 H 2.120 0.030 2 204 25 25 MET HE H 2.041 0.030 1 205 25 25 MET HG2 H 2.716 0.030 2 206 25 25 MET HG3 H 2.522 0.030 2 207 25 25 MET C C 179.401 0.300 1 208 25 25 MET CA C 57.163 0.300 1 209 25 25 MET CB C 30.885 0.300 1 210 25 25 MET CE C 15.968 0.300 1 211 25 25 MET CG C 32.233 0.300 1 212 25 25 MET N N 116.330 0.300 1 213 26 26 LYS H H 8.156 0.030 1 214 26 26 LYS HA H 4.026 0.030 1 215 26 26 LYS HB2 H 1.921 0.030 1 216 26 26 LYS HB3 H 1.921 0.030 1 217 26 26 LYS HD2 H 1.629 0.030 2 218 26 26 LYS HD3 H 1.569 0.030 2 219 26 26 LYS HG2 H 1.334 0.030 2 220 26 26 LYS HG3 H 1.450 0.030 2 221 26 26 LYS C C 179.003 0.300 1 222 26 26 LYS CA C 59.499 0.300 1 223 26 26 LYS CB C 32.284 0.300 1 224 26 26 LYS CD C 28.866 0.300 1 225 26 26 LYS CE C 42.380 0.300 1 226 26 26 LYS CG C 25.257 0.300 1 227 26 26 LYS N N 122.455 0.300 1 228 27 27 ARG H H 8.029 0.030 1 229 27 27 ARG HA H 3.816 0.030 1 230 27 27 ARG HB2 H 0.042 0.030 2 231 27 27 ARG HB3 H 1.077 0.030 2 232 27 27 ARG HD2 H 3.016 0.030 2 233 27 27 ARG HD3 H 2.862 0.030 2 234 27 27 ARG HE H 7.257 0.030 1 235 27 27 ARG HG2 H 1.597 0.030 2 236 27 27 ARG HG3 H 1.387 0.030 2 237 27 27 ARG C C 179.765 0.300 1 238 27 27 ARG CA C 55.955 0.300 1 239 27 27 ARG CB C 26.753 0.300 1 240 27 27 ARG CD C 40.732 0.300 1 241 27 27 ARG CG C 25.535 0.300 1 242 27 27 ARG N N 115.329 0.300 1 243 27 27 ARG NE N 81.762 0.300 1 244 28 28 LEU H H 8.375 0.030 1 245 28 28 LEU HA H 4.055 0.030 1 246 28 28 LEU HB2 H 1.920 0.030 1 247 28 28 LEU HB3 H 1.920 0.030 1 248 28 28 LEU HD1 H 0.965 0.030 1 249 28 28 LEU HD2 H 0.965 0.030 1 250 28 28 LEU HG H 2.026 0.030 1 251 28 28 LEU C C 178.955 0.300 1 252 28 28 LEU CA C 58.407 0.300 1 253 28 28 LEU CB C 41.986 0.300 1 254 28 28 LEU CD1 C 25.780 0.300 1 255 28 28 LEU CD2 C 25.780 0.300 1 256 28 28 LEU CG C 27.006 0.300 1 257 28 28 LEU N N 120.342 0.300 1 258 29 29 THR H H 8.182 0.030 1 259 29 29 THR HA H 4.087 0.030 1 260 29 29 THR HB H 4.312 0.030 1 261 29 29 THR HG2 H 1.317 0.030 1 262 29 29 THR C C 176.896 0.300 1 263 29 29 THR CA C 66.232 0.300 1 264 29 29 THR CB C 68.938 0.300 1 265 29 29 THR CG2 C 21.374 0.300 1 266 29 29 THR N N 116.592 0.300 1 267 30 30 ASP H H 8.098 0.030 1 268 30 30 ASP HA H 4.611 0.030 1 269 30 30 ASP HB2 H 2.726 0.030 1 270 30 30 ASP HB3 H 2.726 0.030 1 271 30 30 ASP C C 176.488 0.300 1 272 30 30 ASP CA C 55.933 0.300 1 273 30 30 ASP CB C 40.536 0.300 1 274 30 30 ASP N N 122.196 0.300 1 275 31 31 SER H H 7.631 0.030 1 276 31 31 SER HA H 4.693 0.030 1 277 31 31 SER HB2 H 4.229 0.030 2 278 31 31 SER HB3 H 4.169 0.030 2 279 31 31 SER C C 173.654 0.300 1 280 31 31 SER CA C 58.522 0.300 1 281 31 31 SER CB C 65.489 0.300 1 282 31 31 SER N N 112.519 0.300 1 283 32 32 ASN HA H 4.644 0.030 1 284 32 32 ASN HB2 H 3.034 0.030 2 285 32 32 ASN HB3 H 2.871 0.030 2 286 32 32 ASN HD21 H 7.553 0.030 2 287 32 32 ASN HD22 H 6.842 0.030 2 288 32 32 ASN C C 174.922 0.300 1 289 32 32 ASN CA C 53.650 0.300 1 290 32 32 ASN CB C 37.773 0.300 1 291 32 32 ASN ND2 N 112.051 0.300 1 292 33 33 LEU H H 8.191 0.030 1 293 33 33 LEU HA H 4.311 0.030 1 294 33 33 LEU HB2 H 1.720 0.030 2 295 33 33 LEU HB3 H 1.606 0.030 2 296 33 33 LEU HD1 H 0.938 0.030 1 297 33 33 LEU HD2 H 0.871 0.030 1 298 33 33 LEU HG H 1.714 0.030 1 299 33 33 LEU C C 176.989 0.300 1 300 33 33 LEU CA C 55.197 0.300 1 301 33 33 LEU CB C 43.195 0.300 1 302 33 33 LEU CD1 C 25.021 0.300 2 303 33 33 LEU CD2 C 24.906 0.300 2 304 33 33 LEU CG C 27.251 0.300 1 305 33 33 LEU N N 119.577 0.300 1 306 34 34 LYS H H 8.670 0.030 1 307 34 34 LYS HA H 4.454 0.030 1 308 34 34 LYS HB2 H 1.795 0.030 1 309 34 34 LYS HB3 H 1.795 0.030 1 310 34 34 LYS HD2 H 1.641 0.030 1 311 34 34 LYS HD3 H 1.641 0.030 1 312 34 34 LYS HE2 H 2.988 0.030 1 313 34 34 LYS HE3 H 2.988 0.030 1 314 34 34 LYS HG2 H 1.453 0.030 2 315 34 34 LYS HG3 H 1.355 0.030 2 316 34 34 LYS C C 175.763 0.300 1 317 34 34 LYS CA C 55.099 0.300 1 318 34 34 LYS CB C 30.690 0.300 1 319 34 34 LYS CD C 28.797 0.300 1 320 34 34 LYS CE C 42.380 0.300 1 321 34 34 LYS CG C 24.416 0.300 1 322 34 34 LYS N N 124.075 0.300 1 323 35 35 VAL H H 7.360 0.030 1 324 35 35 VAL HA H 4.541 0.030 1 325 35 35 VAL HB H 1.953 0.030 1 326 35 35 VAL HG1 H 0.879 0.030 1 327 35 35 VAL HG2 H 1.000 0.030 1 328 35 35 VAL C C 172.939 0.300 1 329 35 35 VAL CA C 58.639 0.300 1 330 35 35 VAL CB C 35.090 0.300 1 331 35 35 VAL CG1 C 21.129 0.300 2 332 35 35 VAL CG2 C 21.116 0.300 2 333 35 35 VAL N N 122.791 0.300 1 334 36 36 PRO HA H 4.486 0.030 1 335 36 36 PRO HB2 H 2.025 0.030 2 336 36 36 PRO HB3 H 2.500 0.030 2 337 36 36 PRO HD2 H 3.908 0.030 2 338 36 36 PRO HD3 H 3.627 0.030 2 339 36 36 PRO HG2 H 2.095 0.030 1 340 36 36 PRO HG3 H 2.095 0.030 1 341 36 36 PRO C C 177.549 0.300 1 342 36 36 PRO CA C 62.793 0.300 1 343 36 36 PRO CB C 32.665 0.300 1 344 36 36 PRO CD C 51.285 0.300 1 345 36 36 PRO CG C 27.748 0.300 1 346 37 37 GLU H H 8.908 0.030 1 347 37 37 GLU HA H 4.047 0.030 1 348 37 37 GLU HB2 H 2.123 0.030 2 349 37 37 GLU HB3 H 2.015 0.030 2 350 37 37 GLU HG2 H 2.438 0.030 2 351 37 37 GLU HG3 H 2.290 0.030 2 352 37 37 GLU C C 178.422 0.300 1 353 37 37 GLU CA C 59.838 0.300 1 354 37 37 GLU CB C 29.505 0.300 1 355 37 37 GLU CG C 36.168 0.300 1 356 37 37 GLU N N 124.543 0.300 1 357 38 38 GLU H H 9.037 0.030 1 358 38 38 GLU HA H 4.175 0.030 1 359 38 38 GLU HB2 H 2.109 0.030 2 360 38 38 GLU HB3 H 2.019 0.030 2 361 38 38 GLU HG2 H 2.301 0.030 1 362 38 38 GLU HG3 H 2.301 0.030 1 363 38 38 GLU C C 178.347 0.300 1 364 38 38 GLU CA C 58.891 0.300 1 365 38 38 GLU CB C 28.968 0.300 1 366 38 38 GLU CG C 36.044 0.300 1 367 38 38 GLU N N 116.549 0.300 1 368 39 39 LYS H H 7.643 0.030 1 369 39 39 LYS HA H 4.126 0.030 1 370 39 39 LYS HB2 H 1.950 0.030 1 371 39 39 LYS HB3 H 1.950 0.030 1 372 39 39 LYS HD2 H 1.805 0.030 2 373 39 39 LYS HD3 H 1.736 0.030 2 374 39 39 LYS HE2 H 2.981 0.030 1 375 39 39 LYS HE3 H 2.981 0.030 1 376 39 39 LYS HG2 H 1.473 0.030 2 377 39 39 LYS HG3 H 1.555 0.030 2 378 39 39 LYS C C 178.389 0.300 1 379 39 39 LYS CA C 58.482 0.300 1 380 39 39 LYS CB C 32.148 0.300 1 381 39 39 LYS CD C 28.886 0.300 1 382 39 39 LYS CE C 42.202 0.300 1 383 39 39 LYS CG C 25.283 0.300 1 384 39 39 LYS N N 119.350 0.300 1 385 40 40 ALA H H 7.557 0.030 1 386 40 40 ALA HA H 3.840 0.030 1 387 40 40 ALA HB H 1.430 0.030 1 388 40 40 ALA C C 178.635 0.300 1 389 40 40 ALA CA C 55.681 0.300 1 390 40 40 ALA CB C 17.927 0.300 1 391 40 40 ALA N N 120.528 0.300 1 392 41 41 ALA H H 8.172 0.030 1 393 41 41 ALA HA H 3.927 0.030 1 394 41 41 ALA HB H 1.512 0.030 1 395 41 41 ALA C C 180.166 0.300 1 396 41 41 ALA CA C 55.207 0.300 1 397 41 41 ALA CB C 18.535 0.300 1 398 41 41 ALA N N 118.090 0.300 1 399 42 42 LYS H H 7.913 0.030 1 400 42 42 LYS HA H 4.075 0.030 1 401 42 42 LYS HB2 H 2.002 0.030 2 402 42 42 LYS HB3 H 1.967 0.030 2 403 42 42 LYS HD2 H 1.732 0.030 2 404 42 42 LYS HD3 H 1.672 0.030 2 405 42 42 LYS HE2 H 2.966 0.030 1 406 42 42 LYS HE3 H 2.966 0.030 1 407 42 42 LYS HG2 H 1.698 0.030 2 408 42 42 LYS HG3 H 1.491 0.030 2 409 42 42 LYS C C 179.875 0.300 1 410 42 42 LYS CA C 59.852 0.300 1 411 42 42 LYS CB C 32.883 0.300 1 412 42 42 LYS CD C 29.409 0.300 1 413 42 42 LYS CE C 42.133 0.300 1 414 42 42 LYS CG C 25.542 0.300 1 415 42 42 LYS N N 119.451 0.300 1 416 43 43 VAL H H 8.516 0.030 1 417 43 43 VAL HA H 3.746 0.030 1 418 43 43 VAL HB H 2.102 0.030 1 419 43 43 VAL HG1 H 0.881 0.030 1 420 43 43 VAL HG2 H 1.142 0.030 1 421 43 43 VAL C C 177.531 0.300 1 422 43 43 VAL CA C 66.485 0.300 1 423 43 43 VAL CB C 31.631 0.300 1 424 43 43 VAL CG1 C 22.096 0.300 2 425 43 43 VAL CG2 C 23.811 0.300 2 426 43 43 VAL N N 120.432 0.300 1 427 44 44 ALA H H 8.129 0.030 1 428 44 44 ALA HA H 3.832 0.030 1 429 44 44 ALA HB H 1.618 0.030 1 430 44 44 ALA C C 179.300 0.300 1 431 44 44 ALA CA C 56.040 0.300 1 432 44 44 ALA CB C 19.373 0.300 1 433 44 44 ALA N N 122.472 0.300 1 434 45 45 THR H H 8.032 0.030 1 435 45 45 THR HA H 3.802 0.030 1 436 45 45 THR HB H 4.384 0.030 1 437 45 45 THR HG2 H 1.239 0.030 1 438 45 45 THR C C 176.996 0.300 1 439 45 45 THR CA C 67.466 0.300 1 440 45 45 THR CB C 68.549 0.300 1 441 45 45 THR CG2 C 21.620 0.300 1 442 45 45 THR N N 113.424 0.300 1 443 46 46 LYS H H 8.170 0.030 1 444 46 46 LYS HA H 4.132 0.030 1 445 46 46 LYS HB2 H 2.026 0.030 1 446 46 46 LYS HB3 H 2.026 0.030 1 447 46 46 LYS HD2 H 1.753 0.030 1 448 46 46 LYS HD3 H 1.753 0.030 1 449 46 46 LYS HE2 H 2.994 0.030 1 450 46 46 LYS HE3 H 2.994 0.030 1 451 46 46 LYS HG2 H 1.595 0.030 2 452 46 46 LYS HG3 H 1.684 0.030 2 453 46 46 LYS C C 178.982 0.300 1 454 46 46 LYS CA C 59.852 0.300 1 455 46 46 LYS CB C 32.652 0.300 1 456 46 46 LYS CD C 28.960 0.300 1 457 46 46 LYS CE C 42.133 0.300 1 458 46 46 LYS CG C 25.760 0.300 1 459 46 46 LYS N N 123.824 0.300 1 460 47 47 ILE H H 8.901 0.030 1 461 47 47 ILE HA H 3.485 0.030 1 462 47 47 ILE HB H 1.902 0.030 1 463 47 47 ILE HD1 H 0.703 0.030 1 464 47 47 ILE HG12 H 2.120 0.030 2 465 47 47 ILE HG13 H 0.696 0.030 2 466 47 47 ILE HG2 H 0.720 0.030 1 467 47 47 ILE C C 177.107 0.300 1 468 47 47 ILE CA C 66.485 0.300 1 469 47 47 ILE CB C 37.834 0.300 1 470 47 47 ILE CD1 C 14.404 0.300 1 471 47 47 ILE CG1 C 29.193 0.300 1 472 47 47 ILE CG2 C 17.928 0.300 1 473 47 47 ILE N N 118.971 0.300 1 474 48 48 GLU H H 7.993 0.030 1 475 48 48 GLU HA H 3.817 0.030 1 476 48 48 GLU HB2 H 1.595 0.030 2 477 48 48 GLU HB3 H 2.422 0.030 2 478 48 48 GLU HG2 H 2.755 0.030 2 479 48 48 GLU HG3 H 2.433 0.030 2 480 48 48 GLU C C 177.345 0.300 1 481 48 48 GLU CA C 61.719 0.300 1 482 48 48 GLU CB C 28.662 0.300 1 483 48 48 GLU CG C 37.931 0.300 1 484 48 48 GLU N N 118.807 0.300 1 485 49 49 LYS H H 8.225 0.030 1 486 49 49 LYS HA H 3.824 0.030 1 487 49 49 LYS HB2 H 2.048 0.030 1 488 49 49 LYS HB3 H 2.048 0.030 1 489 49 49 LYS HD2 H 1.719 0.030 2 490 49 49 LYS HD3 H 1.667 0.030 2 491 49 49 LYS HG2 H 1.655 0.030 2 492 49 49 LYS HG3 H 1.438 0.030 2 493 49 49 LYS C C 179.816 0.300 1 494 49 49 LYS CA C 60.580 0.300 1 495 49 49 LYS CB C 32.393 0.300 1 496 49 49 LYS CD C 29.723 0.300 1 497 49 49 LYS CE C 42.215 0.300 1 498 49 49 LYS CG C 25.529 0.300 1 499 49 49 LYS N N 117.960 0.300 1 500 50 50 GLU H H 8.239 0.030 1 501 50 50 GLU HA H 4.271 0.030 1 502 50 50 GLU HB2 H 2.030 0.030 2 503 50 50 GLU HB3 H 1.977 0.030 2 504 50 50 GLU HG2 H 2.482 0.030 2 505 50 50 GLU HG3 H 2.075 0.030 2 506 50 50 GLU C C 179.389 0.300 1 507 50 50 GLU CA C 58.380 0.300 1 508 50 50 GLU CB C 28.716 0.300 1 509 50 50 GLU CG C 35.342 0.300 1 510 50 50 GLU N N 119.954 0.300 1 511 51 51 LEU H H 8.605 0.030 1 512 51 51 LEU HA H 4.138 0.030 1 513 51 51 LEU HB2 H 2.034 0.030 2 514 51 51 LEU HB3 H 2.002 0.030 2 515 51 51 LEU HD1 H 0.640 0.030 1 516 51 51 LEU HD2 H 0.872 0.030 1 517 51 51 LEU HG H 1.806 0.030 1 518 51 51 LEU C C 178.529 0.300 1 519 51 51 LEU CA C 58.670 0.300 1 520 51 51 LEU CB C 43.177 0.300 1 521 51 51 LEU CD1 C 25.297 0.300 2 522 51 51 LEU CD2 C 25.157 0.300 2 523 51 51 LEU CG C 26.777 0.300 1 524 51 51 LEU N N 122.725 0.300 1 525 52 52 PHE H H 9.178 0.030 1 526 52 52 PHE HA H 4.309 0.030 1 527 52 52 PHE HB2 H 3.125 0.030 2 528 52 52 PHE HB3 H 3.648 0.030 2 529 52 52 PHE HD1 H 6.958 0.030 1 530 52 52 PHE HD2 H 6.958 0.030 1 531 52 52 PHE HE1 H 7.145 0.030 1 532 52 52 PHE HE2 H 7.145 0.030 1 533 52 52 PHE C C 178.421 0.300 1 534 52 52 PHE CA C 63.045 0.300 1 535 52 52 PHE CB C 39.568 0.300 1 536 52 52 PHE CD1 C 131.234 0.300 1 537 52 52 PHE CD2 C 131.234 0.300 1 538 52 52 PHE CE1 C 130.710 0.300 1 539 52 52 PHE CE2 C 130.710 0.300 1 540 52 52 PHE N N 119.507 0.300 1 541 53 53 SER H H 8.764 0.030 1 542 53 53 SER HA H 4.106 0.030 1 543 53 53 SER HB2 H 4.073 0.030 2 544 53 53 SER HB3 H 4.016 0.030 2 545 53 53 SER C C 175.248 0.300 1 546 53 53 SER CA C 61.255 0.300 1 547 53 53 SER CB C 63.234 0.300 1 548 53 53 SER N N 113.937 0.300 1 549 54 54 PHE H H 8.012 0.030 1 550 54 54 PHE HA H 4.088 0.030 1 551 54 54 PHE HB2 H 2.629 0.030 2 552 54 54 PHE HB3 H 3.018 0.030 2 553 54 54 PHE HD1 H 6.038 0.030 1 554 54 54 PHE HD2 H 6.038 0.030 1 555 54 54 PHE HE1 H 7.036 0.030 1 556 54 54 PHE HE2 H 7.036 0.030 1 557 54 54 PHE HZ H 7.145 0.030 1 558 54 54 PHE C C 177.094 0.300 1 559 54 54 PHE CA C 61.015 0.300 1 560 54 54 PHE CB C 40.490 0.300 1 561 54 54 PHE CD1 C 131.200 0.300 1 562 54 54 PHE CD2 C 131.200 0.300 1 563 54 54 PHE CE1 C 131.166 0.300 1 564 54 54 PHE CE2 C 131.166 0.300 1 565 54 54 PHE CZ C 129.538 0.300 1 566 54 54 PHE N N 119.540 0.300 1 567 55 55 PHE H H 7.891 0.030 1 568 55 55 PHE HA H 4.406 0.030 1 569 55 55 PHE HB2 H 3.103 0.030 2 570 55 55 PHE HB3 H 3.735 0.030 2 571 55 55 PHE HD1 H 7.806 0.030 1 572 55 55 PHE HD2 H 7.806 0.030 1 573 55 55 PHE HE1 H 7.392 0.030 1 574 55 55 PHE HE2 H 7.392 0.030 1 575 55 55 PHE HZ H 7.270 0.030 1 576 55 55 PHE C C 176.409 0.300 1 577 55 55 PHE CA C 61.305 0.300 1 578 55 55 PHE CB C 40.728 0.300 1 579 55 55 PHE CD1 C 132.505 0.300 1 580 55 55 PHE CD2 C 132.505 0.300 1 581 55 55 PHE CE1 C 131.448 0.300 1 582 55 55 PHE CE2 C 131.448 0.300 1 583 55 55 PHE CZ C 129.953 0.300 1 584 55 55 PHE N N 114.633 0.300 1 585 56 56 ARG H H 8.556 0.030 1 586 56 56 ARG HA H 3.154 0.030 1 587 56 56 ARG HB2 H 1.835 0.030 2 588 56 56 ARG HB3 H 2.022 0.030 2 589 56 56 ARG HD2 H 3.110 0.030 2 590 56 56 ARG HD3 H 3.067 0.030 2 591 56 56 ARG HG2 H 1.353 0.030 1 592 56 56 ARG HG3 H 1.353 0.030 1 593 56 56 ARG C C 172.816 0.300 1 594 56 56 ARG CA C 57.733 0.300 1 595 56 56 ARG CB C 26.884 0.300 1 596 56 56 ARG CD C 43.173 0.300 1 597 56 56 ARG CG C 27.523 0.300 1 598 56 56 ARG N N 114.079 0.300 1 599 57 57 ASP H H 7.367 0.030 1 600 57 57 ASP HA H 4.593 0.030 1 601 57 57 ASP HB2 H 2.279 0.030 2 602 57 57 ASP HB3 H 2.867 0.030 2 603 57 57 ASP C C 174.730 0.300 1 604 57 57 ASP CA C 52.512 0.300 1 605 57 57 ASP CB C 42.928 0.300 1 606 57 57 ASP N N 114.836 0.300 1 607 58 58 THR H H 8.459 0.030 1 608 58 58 THR HA H 3.612 0.030 1 609 58 58 THR HB H 4.088 0.030 1 610 58 58 THR HG2 H 0.644 0.030 1 611 58 58 THR C C 175.218 0.300 1 612 58 58 THR CA C 58.387 0.300 1 613 58 58 THR CB C 66.729 0.300 1 614 58 58 THR CG2 C 20.632 0.300 1 615 58 58 THR N N 112.365 0.300 1 616 59 59 ASP H H 7.511 0.030 1 617 59 59 ASP HA H 4.587 0.030 1 618 59 59 ASP HB2 H 2.704 0.030 2 619 59 59 ASP HB3 H 3.102 0.030 2 620 59 59 ASP C C 176.066 0.300 1 621 59 59 ASP CA C 52.345 0.300 1 622 59 59 ASP CB C 41.803 0.300 1 623 59 59 ASP N N 120.689 0.300 1 624 60 60 ALA H H 8.299 0.030 1 625 60 60 ALA HA H 4.003 0.030 1 626 60 60 ALA HB H 1.426 0.030 1 627 60 60 ALA C C 179.891 0.300 1 628 60 60 ALA CA C 55.662 0.300 1 629 60 60 ALA CB C 18.684 0.300 1 630 60 60 ALA N N 119.288 0.300 1 631 61 61 LYS H H 7.444 0.030 1 632 61 61 LYS HA H 3.847 0.030 1 633 61 61 LYS HB2 H 1.544 0.030 2 634 61 61 LYS HB3 H 1.874 0.030 2 635 61 61 LYS HD2 H 1.879 0.030 1 636 61 61 LYS HD3 H 1.879 0.030 1 637 61 61 LYS HE2 H 3.116 0.030 1 638 61 61 LYS HE3 H 3.116 0.030 1 639 61 61 LYS HG2 H 1.389 0.030 2 640 61 61 LYS HG3 H 1.557 0.030 2 641 61 61 LYS C C 178.805 0.300 1 642 61 61 LYS CA C 59.853 0.300 1 643 61 61 LYS CB C 32.200 0.300 1 644 61 61 LYS CD C 29.498 0.300 1 645 61 61 LYS CE C 42.215 0.300 1 646 61 61 LYS CG C 25.780 0.300 1 647 61 61 LYS N N 117.188 0.300 1 648 62 62 TYR H H 7.796 0.030 1 649 62 62 TYR HA H 3.467 0.030 1 650 62 62 TYR HB2 H 3.122 0.030 2 651 62 62 TYR HB3 H 3.440 0.030 2 652 62 62 TYR HD1 H 6.979 0.030 1 653 62 62 TYR HD2 H 6.979 0.030 1 654 62 62 TYR HE1 H 6.644 0.030 1 655 62 62 TYR HE2 H 6.644 0.030 1 656 62 62 TYR C C 177.382 0.300 1 657 62 62 TYR CA C 61.648 0.300 1 658 62 62 TYR CB C 38.302 0.300 1 659 62 62 TYR CD1 C 133.640 0.300 1 660 62 62 TYR CD2 C 133.640 0.300 1 661 62 62 TYR CE1 C 117.863 0.300 1 662 62 62 TYR CE2 C 117.863 0.300 1 663 62 62 TYR N N 124.295 0.300 1 664 63 63 LYS H H 8.502 0.030 1 665 63 63 LYS HA H 3.939 0.030 1 666 63 63 LYS HB2 H 1.968 0.030 2 667 63 63 LYS HB3 H 1.875 0.030 2 668 63 63 LYS HD2 H 1.775 0.030 2 669 63 63 LYS HD3 H 1.606 0.030 2 670 63 63 LYS HE2 H 2.945 0.030 1 671 63 63 LYS HE3 H 2.945 0.030 1 672 63 63 LYS HG2 H 1.422 0.030 2 673 63 63 LYS HG3 H 1.778 0.030 2 674 63 63 LYS C C 178.784 0.300 1 675 63 63 LYS CA C 60.314 0.300 1 676 63 63 LYS CB C 32.515 0.300 1 677 63 63 LYS CD C 29.907 0.300 1 678 63 63 LYS CE C 41.852 0.300 1 679 63 63 LYS CG C 26.380 0.300 1 680 63 63 LYS N N 118.068 0.300 1 681 64 64 ASN H H 8.573 0.030 1 682 64 64 ASN HA H 4.411 0.030 1 683 64 64 ASN HB2 H 2.761 0.030 2 684 64 64 ASN HB3 H 2.880 0.030 2 685 64 64 ASN HD21 H 6.965 0.030 2 686 64 64 ASN HD22 H 7.669 0.030 2 687 64 64 ASN C C 178.136 0.300 1 688 64 64 ASN CA C 56.161 0.300 1 689 64 64 ASN CB C 38.260 0.300 1 690 64 64 ASN N N 118.404 0.300 1 691 64 64 ASN ND2 N 112.751 0.300 1 692 65 65 LYS H H 7.992 0.030 1 693 65 65 LYS HA H 4.292 0.030 1 694 65 65 LYS HB2 H 1.993 0.030 1 695 65 65 LYS HB3 H 1.993 0.030 1 696 65 65 LYS HD2 H 1.952 0.030 2 697 65 65 LYS HD3 H 1.845 0.030 2 698 65 65 LYS HE2 H 3.241 0.030 2 699 65 65 LYS HE3 H 2.967 0.030 2 700 65 65 LYS HG2 H 1.687 0.030 2 701 65 65 LYS HG3 H 1.471 0.030 2 702 65 65 LYS C C 178.489 0.300 1 703 65 65 LYS CA C 57.440 0.300 1 704 65 65 LYS CB C 29.552 0.300 1 705 65 65 LYS CD C 26.889 0.300 1 706 65 65 LYS CE C 41.477 0.300 1 707 65 65 LYS CG C 24.804 0.300 1 708 65 65 LYS N N 121.800 0.300 1 709 66 66 TYR H H 8.435 0.030 1 710 66 66 TYR HA H 4.085 0.030 1 711 66 66 TYR HB2 H 2.866 0.030 2 712 66 66 TYR HB3 H 3.157 0.030 2 713 66 66 TYR HD1 H 6.917 0.030 1 714 66 66 TYR HD2 H 6.917 0.030 1 715 66 66 TYR HE1 H 6.803 0.030 1 716 66 66 TYR HE2 H 6.803 0.030 1 717 66 66 TYR C C 176.205 0.300 1 718 66 66 TYR CA C 60.594 0.300 1 719 66 66 TYR CB C 37.058 0.300 1 720 66 66 TYR CD1 C 133.561 0.300 1 721 66 66 TYR CD2 C 133.561 0.300 1 722 66 66 TYR CE1 C 118.409 0.300 1 723 66 66 TYR CE2 C 118.409 0.300 1 724 66 66 TYR N N 120.360 0.300 1 725 67 67 ARG H H 8.318 0.030 1 726 67 67 ARG HA H 3.401 0.030 1 727 67 67 ARG HB2 H 1.904 0.030 2 728 67 67 ARG HB3 H 1.821 0.030 2 729 67 67 ARG HD2 H 3.207 0.030 2 730 67 67 ARG HD3 H 3.161 0.030 2 731 67 67 ARG HG2 H 1.872 0.030 2 732 67 67 ARG HG3 H 1.494 0.030 2 733 67 67 ARG C C 178.957 0.300 1 734 67 67 ARG CA C 60.079 0.300 1 735 67 67 ARG CB C 29.728 0.300 1 736 67 67 ARG CD C 43.456 0.300 1 737 67 67 ARG CG C 28.193 0.300 1 738 67 67 ARG N N 119.195 0.300 1 739 68 68 SER H H 7.738 0.030 1 740 68 68 SER HA H 4.319 0.030 1 741 68 68 SER HB2 H 3.950 0.030 2 742 68 68 SER HB3 H 3.997 0.030 2 743 68 68 SER C C 177.685 0.300 1 744 68 68 SER CA C 61.419 0.300 1 745 68 68 SER CB C 63.150 0.300 1 746 68 68 SER N N 115.424 0.300 1 747 69 69 LEU H H 8.442 0.030 1 748 69 69 LEU HA H 3.967 0.030 1 749 69 69 LEU HB2 H 1.212 0.030 2 750 69 69 LEU HB3 H 2.030 0.030 2 751 69 69 LEU HD1 H 0.796 0.030 1 752 69 69 LEU HD2 H 0.782 0.030 1 753 69 69 LEU HG H 1.901 0.030 1 754 69 69 LEU C C 178.577 0.300 1 755 69 69 LEU CA C 58.557 0.300 1 756 69 69 LEU CB C 41.732 0.300 1 757 69 69 LEU CD1 C 26.033 0.300 2 758 69 69 LEU CD2 C 24.154 0.300 2 759 69 69 LEU CG C 26.493 0.300 1 760 69 69 LEU N N 122.233 0.300 1 761 70 70 MET H H 8.599 0.030 1 762 70 70 MET HA H 3.973 0.030 1 763 70 70 MET HB2 H 1.805 0.030 1 764 70 70 MET HB3 H 1.805 0.030 1 765 70 70 MET HE H 1.878 0.030 1 766 70 70 MET HG2 H 2.184 0.030 2 767 70 70 MET HG3 H 2.080 0.030 2 768 70 70 MET C C 177.784 0.300 1 769 70 70 MET CA C 58.241 0.300 1 770 70 70 MET CB C 30.941 0.300 1 771 70 70 MET CE C 16.587 0.300 1 772 70 70 MET CG C 32.396 0.300 1 773 70 70 MET N N 117.036 0.300 1 774 71 71 PHE H H 8.254 0.030 1 775 71 71 PHE HA H 3.972 0.030 1 776 71 71 PHE HB2 H 3.126 0.030 2 777 71 71 PHE HB3 H 3.281 0.030 2 778 71 71 PHE HD1 H 7.159 0.030 1 779 71 71 PHE HD2 H 7.159 0.030 1 780 71 71 PHE HE1 H 7.329 0.030 1 781 71 71 PHE HE2 H 7.329 0.030 1 782 71 71 PHE HZ H 7.270 0.030 1 783 71 71 PHE C C 177.966 0.300 1 784 71 71 PHE CA C 61.987 0.300 1 785 71 71 PHE CB C 39.036 0.300 1 786 71 71 PHE CD1 C 131.726 0.300 1 787 71 71 PHE CD2 C 131.726 0.300 1 788 71 71 PHE CE1 C 131.639 0.300 1 789 71 71 PHE CE2 C 131.639 0.300 1 790 71 71 PHE CZ C 130.070 0.300 1 791 71 71 PHE N N 117.806 0.300 1 792 72 72 ASN H H 7.550 0.030 1 793 72 72 ASN HA H 4.496 0.030 1 794 72 72 ASN HB2 H 2.588 0.030 2 795 72 72 ASN HB3 H 2.426 0.030 2 796 72 72 ASN HD21 H 7.572 0.030 1 797 72 72 ASN HD22 H 7.572 0.030 1 798 72 72 ASN C C 175.991 0.300 1 799 72 72 ASN CA C 57.079 0.300 1 800 72 72 ASN CB C 40.946 0.300 1 801 72 72 ASN N N 114.743 0.300 1 802 72 72 ASN ND2 N 116.764 0.300 1 803 73 73 LEU H H 8.402 0.030 1 804 73 73 LEU HA H 4.176 0.030 1 805 73 73 LEU HB2 H 1.173 0.030 2 806 73 73 LEU HB3 H 1.951 0.030 2 807 73 73 LEU HD1 H 0.708 0.030 1 808 73 73 LEU HD2 H 0.726 0.030 1 809 73 73 LEU HG H 1.903 0.030 1 810 73 73 LEU C C 177.219 0.300 1 811 73 73 LEU CA C 57.103 0.300 1 812 73 73 LEU CB C 42.435 0.300 1 813 73 73 LEU CD1 C 25.518 0.300 2 814 73 73 LEU CD2 C 22.839 0.300 2 815 73 73 LEU CG C 26.806 0.300 1 816 73 73 LEU N N 118.515 0.300 1 817 74 74 LYS H H 8.042 0.030 1 818 74 74 LYS HA H 3.972 0.030 1 819 74 74 LYS HB2 H 1.724 0.030 1 820 74 74 LYS HB3 H 1.724 0.030 1 821 74 74 LYS HD2 H 1.542 0.030 1 822 74 74 LYS HD3 H 1.542 0.030 1 823 74 74 LYS HE2 H 2.867 0.030 1 824 74 74 LYS HE3 H 2.867 0.030 1 825 74 74 LYS HG2 H 1.482 0.030 2 826 74 74 LYS HG3 H 1.368 0.030 2 827 74 74 LYS C C 176.219 0.300 1 828 74 74 LYS CA C 57.169 0.300 1 829 74 74 LYS CB C 33.725 0.300 1 830 74 74 LYS CD C 29.751 0.300 1 831 74 74 LYS CE C 41.696 0.300 1 832 74 74 LYS CG C 25.061 0.300 1 833 74 74 LYS N N 117.140 0.300 1 834 75 75 ASP H H 6.866 0.030 1 835 75 75 ASP HA H 4.319 0.030 1 836 75 75 ASP HB2 H 2.870 0.030 2 837 75 75 ASP HB3 H 2.632 0.030 2 838 75 75 ASP C C 176.367 0.300 1 839 75 75 ASP CA C 51.997 0.300 1 840 75 75 ASP CB C 41.591 0.300 1 841 75 75 ASP N N 118.908 0.300 1 842 76 76 PRO HA H 4.222 0.030 1 843 76 76 PRO HB2 H 1.952 0.030 2 844 76 76 PRO HB3 H 2.294 0.030 2 845 76 76 PRO HD2 H 3.929 0.030 2 846 76 76 PRO HD3 H 4.021 0.030 2 847 76 76 PRO HG2 H 2.014 0.030 2 848 76 76 PRO HG3 H 1.934 0.030 2 849 76 76 PRO C C 178.029 0.300 1 850 76 76 PRO CA C 64.005 0.300 1 851 76 76 PRO CB C 32.179 0.300 1 852 76 76 PRO CD C 51.473 0.300 1 853 76 76 PRO CG C 27.175 0.300 1 854 77 77 LYS H H 8.188 0.030 1 855 77 77 LYS HA H 4.217 0.030 1 856 77 77 LYS HB2 H 1.938 0.030 1 857 77 77 LYS HB3 H 1.938 0.030 1 858 77 77 LYS HD2 H 1.703 0.030 1 859 77 77 LYS HD3 H 1.703 0.030 1 860 77 77 LYS HE2 H 3.003 0.030 1 861 77 77 LYS HE3 H 3.003 0.030 1 862 77 77 LYS HG2 H 1.473 0.030 2 863 77 77 LYS HG3 H 1.399 0.030 2 864 77 77 LYS C C 176.174 0.300 1 865 77 77 LYS CA C 56.222 0.300 1 866 77 77 LYS CB C 31.729 0.300 1 867 77 77 LYS CD C 28.714 0.300 1 868 77 77 LYS CE C 42.202 0.300 1 869 77 77 LYS CG C 25.312 0.300 1 870 77 77 LYS N N 115.215 0.300 1 871 78 78 ASN H H 8.042 0.030 1 872 78 78 ASN HA H 4.896 0.030 1 873 78 78 ASN HB2 H 2.715 0.030 2 874 78 78 ASN HB3 H 3.615 0.030 2 875 78 78 ASN HD21 H 7.131 0.030 2 876 78 78 ASN HD22 H 8.266 0.030 2 877 78 78 ASN C C 175.840 0.300 1 878 78 78 ASN CA C 51.753 0.300 1 879 78 78 ASN CB C 38.199 0.300 1 880 78 78 ASN N N 118.730 0.300 1 881 78 78 ASN ND2 N 113.136 0.300 1 882 79 79 ASN H H 9.120 0.030 1 883 79 79 ASN HA H 5.196 0.030 1 884 79 79 ASN HB2 H 2.750 0.030 2 885 79 79 ASN HB3 H 2.963 0.030 2 886 79 79 ASN HD21 H 6.806 0.030 2 887 79 79 ASN HD22 H 7.534 0.030 2 888 79 79 ASN C C 173.716 0.300 1 889 79 79 ASN CA C 52.814 0.300 1 890 79 79 ASN CB C 39.100 0.300 1 891 79 79 ASN N N 124.744 0.300 1 892 79 79 ASN ND2 N 112.638 0.300 1 893 80 80 ILE H H 8.293 0.030 1 894 80 80 ILE HA H 4.076 0.030 1 895 80 80 ILE HB H 1.818 0.030 1 896 80 80 ILE HD1 H 0.764 0.030 1 897 80 80 ILE HG12 H 1.416 0.030 2 898 80 80 ILE HG13 H 1.102 0.030 2 899 80 80 ILE HG2 H 0.644 0.030 1 900 80 80 ILE C C 177.255 0.300 1 901 80 80 ILE CA C 61.794 0.300 1 902 80 80 ILE CB C 40.223 0.300 1 903 80 80 ILE CD1 C 12.551 0.300 1 904 80 80 ILE CG1 C 27.566 0.300 1 905 80 80 ILE CG2 C 17.412 0.300 1 906 80 80 ILE N N 117.330 0.300 1 907 81 81 LEU H H 8.394 0.030 1 908 81 81 LEU HA H 3.791 0.030 1 909 81 81 LEU HB2 H 1.993 0.030 2 910 81 81 LEU HB3 H 1.944 0.030 2 911 81 81 LEU HD1 H 0.859 0.030 1 912 81 81 LEU HD2 H 0.844 0.030 1 913 81 81 LEU HG H 1.291 0.030 1 914 81 81 LEU C C 179.782 0.300 1 915 81 81 LEU CA C 59.727 0.300 1 916 81 81 LEU CB C 40.000 0.300 1 917 81 81 LEU CD1 C 22.342 0.300 2 918 81 81 LEU CD2 C 26.779 0.300 2 919 81 81 LEU CG C 27.257 0.300 1 920 81 81 LEU N N 123.464 0.300 1 921 82 82 PHE H H 8.534 0.030 1 922 82 82 PHE HA H 3.873 0.030 1 923 82 82 PHE HB2 H 2.860 0.030 2 924 82 82 PHE HB3 H 3.266 0.030 2 925 82 82 PHE HD1 H 7.108 0.030 1 926 82 82 PHE HD2 H 7.108 0.030 1 927 82 82 PHE HE1 H 7.248 0.030 1 928 82 82 PHE HE2 H 7.248 0.030 1 929 82 82 PHE HZ H 7.327 0.030 1 930 82 82 PHE C C 175.289 0.300 1 931 82 82 PHE CA C 60.795 0.300 1 932 82 82 PHE CB C 36.724 0.300 1 933 82 82 PHE CD1 C 131.639 0.300 1 934 82 82 PHE CD2 C 131.639 0.300 1 935 82 82 PHE CE1 C 131.544 0.300 1 936 82 82 PHE CE2 C 131.544 0.300 1 937 82 82 PHE CZ C 131.257 0.300 1 938 82 82 PHE N N 113.081 0.300 1 939 83 83 LYS H H 5.534 0.030 1 940 83 83 LYS HA H 3.332 0.030 1 941 83 83 LYS HB2 H 1.404 0.030 2 942 83 83 LYS HB3 H 1.269 0.030 2 943 83 83 LYS HD2 H 1.555 0.030 2 944 83 83 LYS HD3 H 1.530 0.030 2 945 83 83 LYS HE2 H 2.881 0.030 2 946 83 83 LYS HE3 H 2.799 0.030 2 947 83 83 LYS HG2 H 0.621 0.030 2 948 83 83 LYS HG3 H 0.425 0.030 2 949 83 83 LYS C C 177.726 0.300 1 950 83 83 LYS CA C 59.377 0.300 1 951 83 83 LYS CB C 32.364 0.300 1 952 83 83 LYS CD C 29.934 0.300 1 953 83 83 LYS CE C 42.193 0.300 1 954 83 83 LYS CG C 25.592 0.300 1 955 83 83 LYS N N 120.424 0.300 1 956 84 84 LYS H H 7.764 0.030 1 957 84 84 LYS HA H 3.875 0.030 1 958 84 84 LYS HB2 H 1.486 0.030 2 959 84 84 LYS HB3 H 1.782 0.030 2 960 84 84 LYS HD2 H 1.319 0.030 1 961 84 84 LYS HD3 H 1.319 0.030 1 962 84 84 LYS HE2 H 2.666 0.030 2 963 84 84 LYS HE3 H 2.608 0.030 2 964 84 84 LYS HG2 H 1.372 0.030 1 965 84 84 LYS HG3 H 1.372 0.030 1 966 84 84 LYS C C 180.119 0.300 1 967 84 84 LYS CA C 59.854 0.300 1 968 84 84 LYS CB C 32.963 0.300 1 969 84 84 LYS CD C 29.443 0.300 1 970 84 84 LYS CE C 41.693 0.300 1 971 84 84 LYS CG C 25.372 0.300 1 972 84 84 LYS N N 117.548 0.300 1 973 85 85 VAL H H 8.173 0.030 1 974 85 85 VAL HA H 3.911 0.030 1 975 85 85 VAL HB H 2.084 0.030 1 976 85 85 VAL HG1 H 0.873 0.030 1 977 85 85 VAL HG2 H 0.927 0.030 1 978 85 85 VAL C C 179.170 0.300 1 979 85 85 VAL CA C 65.519 0.300 1 980 85 85 VAL CB C 31.897 0.300 1 981 85 85 VAL CG1 C 22.198 0.300 2 982 85 85 VAL CG2 C 24.417 0.300 2 983 85 85 VAL N N 118.174 0.300 1 984 86 86 LEU H H 8.044 0.030 1 985 86 86 LEU HA H 4.042 0.030 1 986 86 86 LEU HB2 H 1.407 0.030 2 987 86 86 LEU HB3 H 1.946 0.030 2 988 86 86 LEU HD1 H 0.902 0.030 1 989 86 86 LEU HD2 H 1.061 0.030 1 990 86 86 LEU HG H 1.967 0.030 1 991 86 86 LEU C C 178.042 0.300 1 992 86 86 LEU CA C 58.122 0.300 1 993 86 86 LEU CB C 42.461 0.300 1 994 86 86 LEU CD1 C 23.322 0.300 2 995 86 86 LEU CD2 C 27.024 0.300 2 996 86 86 LEU CG C 27.497 0.300 1 997 86 86 LEU N N 120.499 0.300 1 998 87 87 LYS H H 8.020 0.030 1 999 87 87 LYS HA H 4.205 0.030 1 1000 87 87 LYS HB2 H 1.692 0.030 2 1001 87 87 LYS HB3 H 1.979 0.030 2 1002 87 87 LYS HD2 H 1.599 0.030 2 1003 87 87 LYS HD3 H 1.540 0.030 2 1004 87 87 LYS HE2 H 2.865 0.030 1 1005 87 87 LYS HE3 H 2.865 0.030 1 1006 87 87 LYS C C 177.064 0.300 1 1007 87 87 LYS CA C 56.903 0.300 1 1008 87 87 LYS CB C 32.875 0.300 1 1009 87 87 LYS CD C 28.966 0.300 1 1010 87 87 LYS CE C 41.588 0.300 1 1011 87 87 LYS CG C 25.488 0.300 1 1012 87 87 LYS N N 113.855 0.300 1 1013 88 88 GLY H H 7.529 0.030 1 1014 88 88 GLY HA2 H 3.812 0.030 2 1015 88 88 GLY HA3 H 4.135 0.030 2 1016 88 88 GLY C C 174.234 0.300 1 1017 88 88 GLY CA C 45.623 0.300 1 1018 88 88 GLY N N 106.713 0.300 1 1019 89 89 GLU H H 7.989 0.030 1 1020 89 89 GLU HA H 4.075 0.030 1 1021 89 89 GLU HB2 H 1.799 0.030 2 1022 89 89 GLU HB3 H 2.047 0.030 2 1023 89 89 GLU HG2 H 2.236 0.030 2 1024 89 89 GLU HG3 H 2.129 0.030 2 1025 89 89 GLU C C 177.079 0.300 1 1026 89 89 GLU CA C 57.802 0.300 1 1027 89 89 GLU CB C 30.816 0.300 1 1028 89 89 GLU CG C 36.901 0.300 1 1029 89 89 GLU N N 119.075 0.300 1 1030 90 90 VAL H H 6.811 0.030 1 1031 90 90 VAL HA H 4.514 0.030 1 1032 90 90 VAL HB H 1.571 0.030 1 1033 90 90 VAL HG1 H 0.744 0.030 1 1034 90 90 VAL HG2 H 0.827 0.030 1 1035 90 90 VAL C C 175.159 0.300 1 1036 90 90 VAL CA C 60.197 0.300 1 1037 90 90 VAL CB C 33.871 0.300 1 1038 90 90 VAL CG1 C 21.601 0.300 2 1039 90 90 VAL CG2 C 21.880 0.300 2 1040 90 90 VAL N N 116.194 0.300 1 1041 91 91 THR H H 8.704 0.030 1 1042 91 91 THR HA H 4.480 0.030 1 1043 91 91 THR HB H 4.538 0.030 1 1044 91 91 THR HG2 H 1.296 0.030 1 1045 91 91 THR C C 174.188 0.300 1 1046 91 91 THR CA C 60.378 0.300 1 1047 91 91 THR CB C 67.703 0.300 1 1048 91 91 THR CG2 C 22.683 0.300 1 1049 91 91 THR N N 118.624 0.300 1 1050 92 92 PRO HA H 4.011 0.030 1 1051 92 92 PRO HB2 H 2.020 0.030 1 1052 92 92 PRO HB3 H 2.020 0.030 1 1053 92 92 PRO HD2 H 4.016 0.030 2 1054 92 92 PRO HD3 H 3.884 0.030 2 1055 92 92 PRO HG2 H 2.195 0.030 2 1056 92 92 PRO HG3 H 1.864 0.030 2 1057 92 92 PRO C C 175.977 0.300 1 1058 92 92 PRO CA C 66.255 0.300 1 1059 92 92 PRO CB C 32.151 0.300 1 1060 92 92 PRO CD C 50.297 0.300 1 1061 92 92 PRO CG C 28.401 0.300 1 1062 93 93 ASP H H 8.639 0.030 1 1063 93 93 ASP HA H 3.976 0.030 1 1064 93 93 ASP HB2 H 2.496 0.030 2 1065 93 93 ASP HB3 H 2.568 0.030 2 1066 93 93 ASP C C 177.281 0.300 1 1067 93 93 ASP CA C 56.252 0.300 1 1068 93 93 ASP CB C 39.398 0.300 1 1069 93 93 ASP N N 111.230 0.300 1 1070 94 94 HIS H H 7.343 0.030 1 1071 94 94 HIS HA H 4.267 0.030 1 1072 94 94 HIS HB2 H 3.033 0.030 2 1073 94 94 HIS HB3 H 3.114 0.030 2 1074 94 94 HIS HD2 H 6.870 0.030 1 1075 94 94 HIS HE1 H 7.693 0.030 1 1076 94 94 HIS C C 177.959 0.300 1 1077 94 94 HIS CA C 57.896 0.300 1 1078 94 94 HIS CB C 31.620 0.300 1 1079 94 94 HIS CD2 C 117.964 0.300 1 1080 94 94 HIS CE1 C 138.139 0.300 1 1081 94 94 HIS N N 120.399 0.300 1 1082 95 95 LEU H H 8.279 0.030 1 1083 95 95 LEU HA H 3.906 0.030 1 1084 95 95 LEU HB2 H 1.933 0.030 2 1085 95 95 LEU HB3 H 1.414 0.030 2 1086 95 95 LEU HD1 H 0.810 0.030 1 1087 95 95 LEU HD2 H 0.794 0.030 1 1088 95 95 LEU HG H 1.480 0.030 1 1089 95 95 LEU C C 178.109 0.300 1 1090 95 95 LEU CA C 57.762 0.300 1 1091 95 95 LEU CB C 42.461 0.300 1 1092 95 95 LEU CD1 C 26.507 0.300 2 1093 95 95 LEU CD2 C 24.334 0.300 2 1094 95 95 LEU CG C 26.392 0.300 1 1095 95 95 LEU N N 118.795 0.300 1 1096 96 96 ILE H H 7.172 0.030 1 1097 96 96 ILE HA H 3.639 0.030 1 1098 96 96 ILE HB H 1.839 0.030 1 1099 96 96 ILE HD1 H 0.630 0.030 1 1100 96 96 ILE HG12 H 1.441 0.030 2 1101 96 96 ILE HG13 H 1.161 0.030 2 1102 96 96 ILE HG2 H 0.685 0.030 1 1103 96 96 ILE C C 175.289 0.300 1 1104 96 96 ILE CA C 62.922 0.300 1 1105 96 96 ILE CB C 37.387 0.300 1 1106 96 96 ILE CD1 C 14.281 0.300 1 1107 96 96 ILE CG1 C 28.232 0.300 1 1108 96 96 ILE CG2 C 19.485 0.300 1 1109 96 96 ILE N N 109.097 0.300 1 1110 97 97 ARG H H 7.070 0.030 1 1111 97 97 ARG HA H 3.996 0.030 1 1112 97 97 ARG HB2 H 1.570 0.030 2 1113 97 97 ARG HB3 H 1.875 0.030 2 1114 97 97 ARG HD2 H 3.027 0.030 1 1115 97 97 ARG HD3 H 3.027 0.030 1 1116 97 97 ARG HG2 H 1.310 0.030 2 1117 97 97 ARG HG3 H 1.486 0.030 2 1118 97 97 ARG C C 176.934 0.300 1 1119 97 97 ARG CA C 56.067 0.300 1 1120 97 97 ARG CB C 31.088 0.300 1 1121 97 97 ARG CD C 43.056 0.300 1 1122 97 97 ARG CG C 28.219 0.300 1 1123 97 97 ARG N N 117.364 0.300 1 1124 98 98 MET H H 7.232 0.030 1 1125 98 98 MET HA H 4.131 0.030 1 1126 98 98 MET HB2 H 1.896 0.030 2 1127 98 98 MET HB3 H 1.949 0.030 2 1128 98 98 MET HE H 1.537 0.030 1 1129 98 98 MET HG2 H 2.630 0.030 2 1130 98 98 MET HG3 H 2.171 0.030 2 1131 98 98 MET C C 175.887 0.300 1 1132 98 98 MET CA C 57.274 0.300 1 1133 98 98 MET CB C 34.361 0.300 1 1134 98 98 MET CE C 17.495 0.300 1 1135 98 98 MET CG C 33.046 0.300 1 1136 98 98 MET N N 121.413 0.300 1 1137 99 99 SER H H 9.067 0.030 1 1138 99 99 SER HA H 4.666 0.030 1 1139 99 99 SER HB2 H 4.414 0.030 2 1140 99 99 SER HB3 H 4.026 0.030 2 1141 99 99 SER C C 172.970 0.300 1 1142 99 99 SER CA C 56.686 0.300 1 1143 99 99 SER CB C 63.096 0.300 1 1144 99 99 SER N N 119.907 0.300 1 1145 100 100 PRO HA H 4.099 0.030 1 1146 100 100 PRO HB2 H 1.900 0.030 2 1147 100 100 PRO HB3 H 2.376 0.030 2 1148 100 100 PRO HD2 H 3.897 0.030 1 1149 100 100 PRO HD3 H 3.897 0.030 1 1150 100 100 PRO HG2 H 2.216 0.030 2 1151 100 100 PRO HG3 H 2.022 0.030 2 1152 100 100 PRO C C 179.396 0.300 1 1153 100 100 PRO CA C 66.007 0.300 1 1154 100 100 PRO CB C 31.699 0.300 1 1155 100 100 PRO CD C 50.183 0.300 1 1156 100 100 PRO CG C 28.226 0.300 1 1157 101 101 GLU H H 8.587 0.030 1 1158 101 101 GLU HA H 3.982 0.030 1 1159 101 101 GLU HB2 H 1.999 0.030 2 1160 101 101 GLU HB3 H 1.887 0.030 2 1161 101 101 GLU HG2 H 2.389 0.030 2 1162 101 101 GLU HG3 H 2.213 0.030 2 1163 101 101 GLU C C 179.153 0.300 1 1164 101 101 GLU CA C 60.007 0.300 1 1165 101 101 GLU CB C 28.845 0.300 1 1166 101 101 GLU CG C 37.059 0.300 1 1167 101 101 GLU N N 116.702 0.300 1 1168 102 102 GLU H H 7.702 0.030 1 1169 102 102 GLU HA H 3.897 0.030 1 1170 102 102 GLU HB2 H 1.874 0.030 2 1171 102 102 GLU HB3 H 2.216 0.030 2 1172 102 102 GLU HG2 H 2.288 0.030 2 1173 102 102 GLU HG3 H 2.181 0.030 2 1174 102 102 GLU C C 179.466 0.300 1 1175 102 102 GLU CA C 59.014 0.300 1 1176 102 102 GLU CB C 30.109 0.300 1 1177 102 102 GLU CG C 37.682 0.300 1 1178 102 102 GLU N N 120.937 0.300 1 1179 103 103 LEU H H 8.145 0.030 1 1180 103 103 LEU HA H 3.913 0.030 1 1181 103 103 LEU HB2 H 1.183 0.030 2 1182 103 103 LEU HB3 H 1.817 0.030 2 1183 103 103 LEU HD1 H 0.731 0.030 1 1184 103 103 LEU HD2 H 0.837 0.030 1 1185 103 103 LEU HG H 1.633 0.030 1 1186 103 103 LEU C C 177.171 0.300 1 1187 103 103 LEU CA C 57.542 0.300 1 1188 103 103 LEU CB C 43.079 0.300 1 1189 103 103 LEU CD1 C 26.382 0.300 2 1190 103 103 LEU CD2 C 25.054 0.300 2 1191 103 103 LEU CG C 26.410 0.300 1 1192 103 103 LEU N N 119.073 0.300 1 1193 104 104 ALA H H 7.070 0.030 1 1194 104 104 ALA HA H 4.341 0.030 1 1195 104 104 ALA HB H 1.473 0.030 1 1196 104 104 ALA C C 177.754 0.300 1 1197 104 104 ALA CA C 51.747 0.300 1 1198 104 104 ALA CB C 19.629 0.300 1 1199 104 104 ALA N N 116.582 0.300 1 1200 105 105 SER H H 7.346 0.030 1 1201 105 105 SER HA H 4.205 0.030 1 1202 105 105 SER HB2 H 3.898 0.030 2 1203 105 105 SER HB3 H 4.030 0.030 2 1204 105 105 SER C C 175.716 0.300 1 1205 105 105 SER CA C 59.354 0.300 1 1206 105 105 SER CB C 63.422 0.300 1 1207 105 105 SER N N 113.046 0.300 1 1208 106 106 LYS H H 8.679 0.030 1 1209 106 106 LYS HA H 4.395 0.030 1 1210 106 106 LYS HB2 H 1.762 0.030 2 1211 106 106 LYS HB3 H 1.988 0.030 2 1212 106 106 LYS HD2 H 1.700 0.030 1 1213 106 106 LYS HD3 H 1.700 0.030 1 1214 106 106 LYS HE2 H 3.008 0.030 1 1215 106 106 LYS HE3 H 3.008 0.030 1 1216 106 106 LYS HG2 H 1.561 0.030 2 1217 106 106 LYS HG3 H 1.456 0.030 2 1218 106 106 LYS C C 176.649 0.300 1 1219 106 106 LYS CA C 56.277 0.300 1 1220 106 106 LYS CB C 32.637 0.300 1 1221 106 106 LYS CD C 28.949 0.300 1 1222 106 106 LYS CE C 42.215 0.300 1 1223 106 106 LYS CG C 24.797 0.300 1 1224 106 106 LYS N N 124.047 0.300 1 1225 107 107 GLU H H 8.138 0.030 1 1226 107 107 GLU HA H 4.303 0.030 1 1227 107 107 GLU HB2 H 1.914 0.030 2 1228 107 107 GLU HB3 H 2.058 0.030 2 1229 107 107 GLU HG2 H 2.241 0.030 1 1230 107 107 GLU HG3 H 2.241 0.030 1 1231 107 107 GLU C C 176.609 0.300 1 1232 107 107 GLU CA C 56.277 0.300 1 1233 107 107 GLU CB C 30.226 0.300 1 1234 107 107 GLU CG C 36.282 0.300 1 1235 107 107 GLU N N 119.832 0.300 1 1236 108 108 LEU H H 8.258 0.030 1 1237 108 108 LEU HA H 4.145 0.030 1 1238 108 108 LEU HB2 H 1.591 0.030 2 1239 108 108 LEU HB3 H 1.515 0.030 2 1240 108 108 LEU HD1 H 0.858 0.030 1 1241 108 108 LEU HD2 H 0.794 0.030 1 1242 108 108 LEU HG H 1.600 0.030 1 1243 108 108 LEU C C 177.923 0.300 1 1244 108 108 LEU CA C 56.181 0.300 1 1245 108 108 LEU CB C 42.053 0.300 1 1246 108 108 LEU CD1 C 24.800 0.300 2 1247 108 108 LEU CD2 C 23.932 0.300 2 1248 108 108 LEU CG C 27.053 0.300 1 1249 108 108 LEU N N 123.847 0.300 1 1250 109 109 ALA H H 8.339 0.030 1 1251 109 109 ALA HA H 4.096 0.030 1 1252 109 109 ALA HB H 1.291 0.030 1 1253 109 109 ALA C C 178.279 0.300 1 1254 109 109 ALA CA C 53.423 0.300 1 1255 109 109 ALA CB C 18.791 0.300 1 1256 109 109 ALA N N 122.635 0.300 1 1257 110 110 ALA H H 7.942 0.030 1 1258 110 110 ALA HA H 4.141 0.030 1 1259 110 110 ALA HB H 1.345 0.030 1 1260 110 110 ALA C C 178.312 0.300 1 1261 110 110 ALA CA C 53.352 0.300 1 1262 110 110 ALA CB C 18.715 0.300 1 1263 110 110 ALA N N 121.256 0.300 1 1264 111 111 TRP H H 7.786 0.030 1 1265 111 111 TRP HA H 4.429 0.030 1 1266 111 111 TRP HB2 H 3.259 0.030 1 1267 111 111 TRP HB3 H 3.259 0.030 1 1268 111 111 TRP HD1 H 7.243 0.030 1 1269 111 111 TRP HE1 H 10.113 0.030 1 1270 111 111 TRP HE3 H 7.509 0.030 1 1271 111 111 TRP HH2 H 7.092 0.030 1 1272 111 111 TRP HZ2 H 7.458 0.030 1 1273 111 111 TRP HZ3 H 7.012 0.030 1 1274 111 111 TRP C C 176.557 0.300 1 1275 111 111 TRP CA C 58.014 0.300 1 1276 111 111 TRP CB C 29.079 0.300 1 1277 111 111 TRP CD1 C 127.028 0.300 1 1278 111 111 TRP CE3 C 120.507 0.300 1 1279 111 111 TRP CH2 C 124.375 0.300 1 1280 111 111 TRP CZ2 C 114.747 0.300 1 1281 111 111 TRP CZ3 C 121.780 0.300 1 1282 111 111 TRP N N 118.857 0.300 1 1283 111 111 TRP NE1 N 129.564 0.300 1 1284 112 112 ARG H H 7.752 0.030 1 1285 112 112 ARG HA H 4.109 0.030 1 1286 112 112 ARG HB2 H 1.708 0.030 2 1287 112 112 ARG HB3 H 1.583 0.030 2 1288 112 112 ARG HD2 H 3.069 0.030 1 1289 112 112 ARG HD3 H 3.069 0.030 1 1290 112 112 ARG HG2 H 1.358 0.030 1 1291 112 112 ARG HG3 H 1.358 0.030 1 1292 112 112 ARG C C 175.981 0.300 1 1293 112 112 ARG CA C 56.318 0.300 1 1294 112 112 ARG CB C 30.774 0.300 1 1295 112 112 ARG CD C 43.310 0.300 1 1296 112 112 ARG CG C 27.068 0.300 1 1297 112 112 ARG N N 121.850 0.300 1 1298 113 113 ARG H H 7.956 0.030 1 1299 113 113 ARG HA H 4.148 0.030 1 1300 113 113 ARG HB2 H 1.794 0.030 2 1301 113 113 ARG HB3 H 1.721 0.030 2 1302 113 113 ARG HD2 H 3.155 0.030 1 1303 113 113 ARG HD3 H 3.155 0.030 1 1304 113 113 ARG HG2 H 1.606 0.030 1 1305 113 113 ARG HG3 H 1.606 0.030 1 1306 113 113 ARG C C 176.387 0.300 1 1307 113 113 ARG CA C 56.426 0.300 1 1308 113 113 ARG CB C 30.664 0.300 1 1309 113 113 ARG CD C 43.412 0.300 1 1310 113 113 ARG CG C 27.153 0.300 1 1311 113 113 ARG N N 121.161 0.300 1 1312 114 114 ARG H H 8.232 0.030 1 1313 114 114 ARG HA H 4.328 0.030 1 1314 114 114 ARG HB2 H 1.844 0.030 2 1315 114 114 ARG HB3 H 1.752 0.030 2 1316 114 114 ARG HD2 H 3.103 0.030 1 1317 114 114 ARG HD3 H 3.103 0.030 1 1318 114 114 ARG HG2 H 1.600 0.030 1 1319 114 114 ARG HG3 H 1.600 0.030 1 1320 114 114 ARG C C 176.254 0.300 1 1321 114 114 ARG CA C 56.171 0.300 1 1322 114 114 ARG CB C 30.866 0.300 1 1323 114 114 ARG CD C 43.388 0.300 1 1324 114 114 ARG CG C 27.082 0.300 1 1325 114 114 ARG N N 122.216 0.300 1 1326 117 117 PRO HA H 4.458 0.030 1 1327 117 117 PRO HB2 H 2.278 0.030 2 1328 117 117 PRO HB3 H 1.994 0.030 2 1329 117 117 PRO HD2 H 3.614 0.030 1 1330 117 117 PRO HD3 H 3.614 0.030 1 1331 117 117 PRO HG2 H 1.998 0.030 1 1332 117 117 PRO HG3 H 1.998 0.030 1 1333 117 117 PRO CA C 63.267 0.300 1 1334 117 117 PRO CB C 32.153 0.300 1 1335 117 117 PRO CD C 49.894 0.300 1 1336 117 117 PRO CG C 27.131 0.300 1 stop_ save_